NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614030 |
5iiv   |
30029 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5iiv
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 530
_Distance_constraint_stats_list.Viol_count 5320
_Distance_constraint_stats_list.Viol_total 65110.414
_Distance_constraint_stats_list.Viol_max 4.222
_Distance_constraint_stats_list.Viol_rms 0.5559
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3071
_Distance_constraint_stats_list.Viol_average_violations_only 0.6119
_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 SER 24.022 2.481 11 10 "[ *- .* * 1+* *.** *]"
1 3 MET 104.761 2.665 12 20 [***********+****-***]
1 4 LYS 133.948 2.665 12 20 [***********+****-***]
1 5 GLN 54.780 2.481 11 20 [*-********+*********]
1 6 LEU 123.776 2.398 3 20 [**+***-*************]
1 7 GLU 88.215 2.544 2 20 [*+**************-***]
1 8 ASP 47.678 1.595 12 20 [*-*********+********]
1 9 LYS 52.805 1.294 3 20 [**+***********-*****]
1 10 VAL 132.603 3.895 11 20 [**********+*****-***]
1 11 GLU 105.980 3.895 11 20 [**********+****-****]
1 12 GLU 75.147 3.295 16 20 [***************+*-**]
1 13 LEU 106.955 2.085 16 20 [*-*************+****]
1 14 LEU 41.680 1.945 16 18 "[*** ******* ***+****]"
1 15 SER 55.875 2.048 18 20 [****************-+**]
1 16 LYS 162.120 3.503 3 20 [**+**************-**]
1 17 ASN 87.618 2.085 16 20 [-**************+****]
1 18 TYR 23.136 1.945 16 17 "[*** **-*** ***+****]"
1 19 HIS 62.251 2.048 18 20 [*****************+**]
1 20 LEU 157.271 3.503 3 20 [**+**-**************]
1 21 GLU 23.106 0.921 17 5 "[ * .- * . + *]"
1 22 ASN 73.526 2.382 5 17 "[****+ *-*1******* **]"
1 23 GLU 166.669 2.382 5 20 [****+**-************]
1 24 VAL 113.057 2.335 8 20 [-******+************]
1 25 ALA 100.099 2.908 5 20 [****+*******-*******]
1 26 ARG 61.261 2.136 9 20 [********+*-*********]
1 27 LEU 328.513 2.656 16 20 [-**************+****]
1 28 LYS 111.810 2.060 5 20 [****+********-******]
1 29 LYS 33.023 1.375 9 20 [********+****-******]
1 30 LEU 166.820 2.908 5 20 [****+*******-*******]
1 31 VAL 6.479 0.236 9 0 "[ . 1 . 2]"
1 32 GLY 45.990 2.608 18 20 [***************-*+**]
2 2 SER 24.042 2.492 11 10 "[ *- .* * 1+* *.** *]"
2 3 MET 104.752 2.661 12 20 [***********+****-***]
2 4 LYS 133.985 2.661 12 20 [***********+****-***]
2 5 GLN 54.857 2.492 11 20 [*-********+*********]
2 6 LEU 123.803 2.398 3 20 [**+***-*************]
2 7 GLU 88.224 2.550 2 20 [*+**************-***]
2 8 ASP 47.712 1.596 12 20 [*-*********+********]
2 9 LYS 52.848 1.293 3 20 [**+***********-*****]
2 10 VAL 132.687 3.895 11 20 [-*********+*********]
2 11 GLU 106.042 3.895 11 20 [**********+****-****]
2 12 GLU 75.201 3.298 16 20 [***************+*-**]
2 13 LEU 106.899 2.086 16 20 [*-*************+****]
2 14 LEU 41.697 1.947 16 18 "[*** **-**** ***+****]"
2 15 SER 55.927 2.045 18 20 [****************-+**]
2 16 LYS 162.091 3.506 11 20 [**********+******-**]
2 17 ASN 87.569 2.086 16 20 [-**************+****]
2 18 TYR 23.146 1.947 16 17 "[*** **-*** ***+****]"
2 19 HIS 62.257 2.045 18 20 [*****************+**]
2 20 LEU 157.226 3.506 11 20 [*****-****+*********]
2 21 GLU 23.099 0.926 17 5 "[ * .- * . + *]"
2 22 ASN 73.576 2.379 5 17 "[****+ ***1******- **]"
2 23 GLU 166.616 2.379 5 20 [****+**-************]
2 24 VAL 113.198 2.337 14 20 [*************+**-***]
2 25 ALA 49.210 1.323 4 20 [***+********-*******]
2 26 ARG 61.215 2.141 9 20 [********+*-*********]
2 27 LEU 328.282 2.656 16 20 [*-*************+****]
2 28 LYS 182.042 4.222 18 20 [-****************+**]
2 29 LYS 33.054 1.376 9 20 [********+***********]
2 30 LEU 115.934 2.065 5 20 [****+*******-*******]
2 31 VAL 6.490 0.243 9 0 "[ . 1 . 2]"
2 32 GLY 115.957 4.222 18 20 [***************-*+**]
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 2 27 LEU HA 2 27 LEU QD 4.471 3.577 5.365 2.368 2.108 2.644 1.469 6 20 [-****+**************] 1
2 1 27 LEU HA 1 27 LEU QD 4.471 3.577 5.365 2.367 2.109 2.645 1.468 6 20 [-****+**************] 1
3 1 27 LEU QB 2 27 LEU QD 5.453 4.362 6.544 1.938 1.706 2.146 2.656 16 20 [********-******+****] 1
4 1 27 LEU QD 2 27 LEU QB 5.453 4.362 6.544 1.935 1.720 2.155 2.642 16 20 [***************+***-] 1
5 1 27 LEU MD1 1 27 LEU MD2 2.992 2.394 3.590 2.076 2.058 2.085 0.336 15 0 "[ . 1 . 2]" 1
6 2 27 LEU MD1 2 27 LEU MD2 2.992 2.394 3.590 2.076 2.055 2.085 0.339 15 0 "[ . 1 . 2]" 1
7 1 25 ALA HA 1 26 ARG H 4.234 3.387 5.081 3.523 3.468 3.574 . 0 0 "[ . 1 . 2]" 1
8 2 25 ALA HA 2 26 ARG H 4.234 3.387 5.081 3.522 3.463 3.571 . 0 0 "[ . 1 . 2]" 1
9 2 23 GLU QB 2 24 VAL H 4.793 3.834 5.752 2.637 2.425 2.795 1.409 16 20 [***-***********+****] 1
10 1 23 GLU QB 1 24 VAL H 4.793 3.834 5.752 2.637 2.424 2.789 1.410 16 20 [***-***********+****] 1
11 2 22 ASN HA 2 22 ASN HB2 2.484 . 2.981 3.011 2.976 3.031 0.050 17 0 "[ . 1 . 2]" 1
12 1 22 ASN HA 1 22 ASN HB2 2.484 . 2.981 3.011 2.975 3.030 0.049 17 0 "[ . 1 . 2]" 1
13 1 15 SER QB 1 16 LYS H 2.783 2.226 3.184 2.848 2.414 3.518 0.334 15 0 "[ . 1 . 2]" 1
14 2 15 SER QB 2 16 LYS H 2.783 2.226 3.184 2.848 2.423 3.516 0.332 15 0 "[ . 1 . 2]" 1
15 1 9 LYS QB 1 10 VAL H 3.940 3.152 4.728 2.428 2.148 2.659 1.004 3 19 "[**+ *******-********]" 1
16 2 9 LYS QB 2 10 VAL H 3.940 3.152 4.728 2.427 2.151 2.658 1.001 3 19 "[**+ *******-********]" 1
17 1 6 LEU QB 2 6 LEU QB 3.530 2.918 4.236 3.717 1.766 6.634 2.398 3 17 "[* +******1**- ******]" 1
18 2 6 LEU QB 2 6 LEU QD 3.383 2.706 3.736 2.018 1.921 2.076 0.785 17 20 [***************-+***] 1
19 1 6 LEU QB 1 6 LEU QD 3.383 2.706 3.736 2.018 1.921 2.075 0.785 17 20 [***************-+***] 1
20 1 20 LEU HG 2 20 LEU QD 4.904 3.923 5.885 3.508 2.027 5.172 1.896 17 11 "[** *. * *1-** * + *2]" 1
21 1 20 LEU QD 2 20 LEU HG 4.904 3.923 5.885 3.506 2.026 5.175 1.897 17 11 "[** *. * *1*-* * + *2]" 1
22 2 13 LEU HG 2 16 LYS QB 3.449 2.759 4.139 3.545 2.931 4.987 0.848 16 1 "[ . 1 .+ 2]" 1
23 1 13 LEU HG 1 16 LYS QB 3.449 2.759 4.139 3.546 2.931 4.987 0.848 16 1 "[ . 1 .+ 2]" 1
24 1 16 LYS QB 1 16 LYS QD 3.816 3.053 4.418 2.216 2.089 2.380 0.964 18 20 [**************-**+**] 1
25 2 16 LYS QB 2 16 LYS QD 3.816 3.053 4.418 2.216 2.089 2.380 0.964 18 20 [**************-**+**] 1
26 1 2 SER QB 1 3 MET HA 3.710 2.968 4.452 4.129 3.816 4.523 0.071 14 0 "[ . 1 . 2]" 1
27 2 2 SER QB 2 3 MET HA 3.710 2.968 4.452 4.131 3.820 4.526 0.074 14 0 "[ . 1 . 2]" 1
28 2 9 LYS HA 2 9 LYS QD 4.075 3.260 4.890 3.510 2.027 4.248 1.233 15 6 "[* * - *1 +* 2]" 1
29 1 9 LYS HA 1 9 LYS QD 4.075 3.260 4.890 3.509 2.030 4.243 1.230 15 6 "[* * - *1 +* 2]" 1
30 1 22 ASN HB3 1 23 GLU HA 3.705 2.964 4.446 4.373 4.155 4.495 0.049 5 0 "[ . 1 . 2]" 1
31 2 22 ASN HB3 2 23 GLU HA 3.705 2.964 4.446 4.373 4.156 4.500 0.054 11 0 "[ . 1 . 2]" 1
32 1 27 LEU QB 2 27 LEU QB 4.878 3.902 5.854 1.709 1.607 1.920 2.295 13 20 [-***********+*******] 1
33 1 25 ALA MB 1 28 LYS QB 5.430 4.344 6.516 3.809 3.527 5.327 0.817 16 14 "[*** *** 1* -**+* **]" 1
34 2 25 ALA MB 2 28 LYS QB 5.430 4.344 6.516 3.807 3.524 5.324 0.820 16 14 "[*** *** 1* -**+* **]" 1
35 1 27 LEU QD 2 28 LYS QB 4.164 3.331 4.997 2.867 1.868 3.986 1.463 9 14 "[ ***. **+*****. *- *]" 1
36 1 28 LYS QB 2 27 LEU QD 4.164 3.331 4.997 2.872 1.878 3.959 1.453 9 14 "[ ***. **+*****. *- *]" 1
37 2 3 MET QB 2 4 LYS QB 3.157 2.326 3.988 4.150 3.492 4.733 0.745 3 4 "[* + . * 1 - . 2]" 1
38 1 3 MET QB 1 4 LYS QB 3.157 2.326 3.988 4.150 3.491 4.728 0.740 3 4 "[* + . * 1 - . 2]" 1
39 2 3 MET QB 2 4 LYS QG . 3.610 4.111 4.747 3.258 5.890 1.779 8 12 "[ *** +*1 * *.*-***]" 1
40 1 3 MET QB 1 4 LYS QG . 3.610 4.111 4.747 3.257 5.892 1.781 8 12 "[ *** +*1 * *.*-***]" 1
41 2 3 MET QB 2 4 LYS QD 3.223 2.864 3.868 5.498 4.058 6.529 2.661 12 19 "[**-*** ****+********]" 1
42 1 3 MET QB 1 4 LYS QD 3.223 2.864 3.868 5.499 4.055 6.533 2.665 12 19 "[**-*** ****+********]" 1
43 1 4 LYS QB 1 7 GLU QB 2.568 2.054 3.082 4.675 3.649 5.626 2.544 2 20 [*+*******-**********] 1
44 2 4 LYS QB 2 7 GLU QB 2.568 2.054 3.082 4.675 3.649 5.632 2.550 2 20 [*+*******-**********] 1
45 2 2 SER QB 2 3 MET QB 3.603 2.882 4.324 4.671 3.714 5.328 1.004 3 6 "[ *+ .- * 1 * *. 2]" 1
46 1 2 SER QB 1 3 MET QB 3.603 2.882 4.324 4.670 3.712 5.324 1.000 3 6 "[ *+ .- * 1 * *. 2]" 1
47 2 3 MET H 2 4 LYS HA 4.251 3.401 5.101 5.292 5.064 5.818 0.717 16 2 "[ . 1 .+- 2]" 1
48 1 3 MET H 1 4 LYS HA 4.251 3.401 5.101 5.293 5.068 5.820 0.719 16 2 "[ . 1 .+- 2]" 1
49 2 6 LEU HA 2 10 VAL QG 3.834 3.067 4.601 4.408 2.801 4.960 0.359 15 0 "[ . 1 . 2]" 1
50 1 6 LEU HA 1 10 VAL QG 3.834 3.067 4.601 4.408 2.799 4.958 0.357 15 0 "[ . 1 . 2]" 1
51 1 28 LYS QB 1 30 LEU QB 3.225 2.580 3.870 5.780 5.555 5.930 2.060 5 20 [***-+***************] 1
52 2 28 LYS QB 2 30 LEU QB 3.225 2.580 3.870 5.781 5.556 5.935 2.065 5 20 [***-+***************] 1
53 2 5 GLN H 2 6 LEU HG 5.923 4.738 7.108 6.567 5.936 7.238 0.130 11 0 "[ . 1 . 2]" 1
54 1 5 GLN H 1 6 LEU HG 5.923 4.738 7.108 6.570 5.937 7.228 0.120 11 0 "[ . 1 . 2]" 1
55 1 6 LEU HG 2 6 LEU QD 3.957 3.166 4.748 3.584 2.440 4.381 0.726 11 3 "[ . 1+ . - *]" 1
56 1 28 LYS HA 2 27 LEU QD 4.030 3.224 4.836 2.349 2.078 2.844 1.146 12 17 "[-***.******+**. ****]" 1
57 1 27 LEU QD 2 28 LYS HA 4.030 3.224 4.836 2.344 2.074 2.840 1.150 13 17 "[-***.*******+*. ****]" 1
58 2 7 GLU QG 2 8 ASP HA 3.932 3.146 4.718 4.929 3.328 5.865 1.147 18 12 "[* *** * 1 * ***-+ *]" 1
59 1 7 GLU QG 1 8 ASP HA 3.932 3.146 4.718 4.929 3.335 5.866 1.148 18 12 "[* *** * 1 * ***-+ *]" 1
60 2 4 LYS HA 2 7 GLU QG 4.711 3.769 5.653 3.522 2.112 6.513 1.657 5 10 "[-***+* **1 *. *2]" 1
61 1 4 LYS HA 1 7 GLU QG 4.711 3.769 5.653 3.523 2.110 6.513 1.659 5 10 "[-***+* **1 *. *2]" 1
62 1 8 ASP HA 1 9 LYS QB 5.205 4.164 6.246 5.264 5.134 5.454 . 0 0 "[ . 1 . 2]" 1
63 2 8 ASP HA 2 9 LYS QB 5.205 4.164 6.246 5.265 5.133 5.455 . 0 0 "[ . 1 . 2]" 1
64 1 8 ASP HA 1 9 LYS H 4.415 3.532 5.298 3.476 3.378 3.522 0.154 16 0 "[ . 1 . 2]" 1
65 2 8 ASP HA 2 9 LYS H 4.415 3.532 5.298 3.475 3.378 3.523 0.154 16 0 "[ . 1 . 2]" 1
66 1 8 ASP HA 1 12 GLU H 4.305 3.444 5.166 3.878 3.599 4.202 . 0 0 "[ . 1 . 2]" 1
67 2 8 ASP HA 2 12 GLU H 4.305 3.444 5.166 3.879 3.607 4.207 . 0 0 "[ . 1 . 2]" 1
68 2 10 VAL HB 2 11 GLU QG 2.951 2.361 3.541 5.600 2.953 7.436 3.895 11 16 "[*** -*****+ **** **2]" 1
69 1 10 VAL HB 1 11 GLU QG 2.951 2.361 3.541 5.600 2.953 7.436 3.895 11 16 "[*** -*****+ **** **2]" 1
70 2 5 GLN QB 2 9 LYS QB 3.671 2.937 4.405 4.685 3.946 5.698 1.293 3 8 "[ *+ *** *1 * - 2]" 1
71 1 5 GLN QB 1 9 LYS QB 3.671 2.937 4.405 4.684 3.940 5.699 1.294 3 8 "[ *+ *** *1 * - 2]" 1
72 2 10 VAL QG 2 12 GLU H 5.472 4.378 6.566 4.213 3.966 4.585 0.412 16 0 "[ . 1 . 2]" 1
73 1 10 VAL QG 1 12 GLU H 5.472 4.378 6.566 4.212 3.966 4.583 0.412 16 0 "[ . 1 . 2]" 1
74 1 12 GLU HA 1 15 SER QB 4.052 3.242 4.862 3.176 2.216 4.488 1.026 7 5 "[ . + -* . **2]" 1
75 2 12 GLU HA 2 15 SER QB 4.052 3.242 4.862 3.175 2.216 4.485 1.026 7 5 "[ . + -* . **2]" 1
76 1 11 GLU H 1 12 GLU HA 4.298 3.438 5.158 5.185 5.013 5.361 0.203 19 0 "[ . 1 . 2]" 1
77 2 11 GLU H 2 12 GLU HA 4.298 3.438 5.158 5.185 5.008 5.359 0.201 19 0 "[ . 1 . 2]" 1
78 1 12 GLU HA 1 14 LEU H 3.764 3.011 4.517 4.353 3.897 4.571 0.054 8 0 "[ . 1 . 2]" 1
79 2 12 GLU HA 2 14 LEU H 3.764 3.011 4.517 4.352 3.897 4.580 0.063 8 0 "[ . 1 . 2]" 1
80 2 13 LEU HA 2 15 SER QB 3.725 2.980 4.470 4.820 4.266 5.773 1.303 15 5 "[ . * 1 * + * -]" 1
81 1 13 LEU HA 1 15 SER QB 3.725 2.980 4.470 4.820 4.276 5.773 1.303 15 5 "[ . * 1 * + * -]" 1
82 2 13 LEU HA 2 13 LEU QD 4.294 3.467 4.639 2.667 2.246 2.949 1.221 8 20 [*******+-***********] 1
83 1 13 LEU HA 1 13 LEU QD 4.294 3.467 4.639 2.667 2.248 2.949 1.219 8 20 [*******+-***********] 1
84 1 12 GLU H 1 13 LEU HA 4.673 3.738 5.608 5.412 5.356 5.434 . 0 0 "[ . 1 . 2]" 1
85 2 12 GLU H 2 13 LEU HA 4.673 3.738 5.608 5.413 5.351 5.433 . 0 0 "[ . 1 . 2]" 1
86 1 13 LEU QB 1 17 ASN QB 4.344 3.475 5.213 4.504 3.764 6.045 0.832 16 1 "[ . 1 .+ 2]" 1
87 2 13 LEU QB 2 17 ASN QB 4.344 3.475 5.213 4.504 3.764 6.041 0.828 16 1 "[ . 1 .+ 2]" 1
88 1 13 LEU H 2 13 LEU QB 5.283 4.226 6.340 4.991 4.539 5.754 . 0 0 "[ . 1 . 2]" 1
89 1 13 LEU QB 2 13 LEU H 5.283 4.226 6.340 4.991 4.529 5.760 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL HA 1 13 LEU HA 6.014 4.811 7.217 5.781 5.260 6.333 . 0 0 "[ . 1 . 2]" 1
91 2 10 VAL HA 2 13 LEU HA 6.014 4.811 7.217 5.782 5.263 6.328 . 0 0 "[ . 1 . 2]" 1
92 1 15 SER QB 1 19 HIS QB 3.338 2.670 4.006 5.038 4.142 6.054 2.048 18 19 "[****** **********+*-]" 1
93 2 15 SER QB 2 19 HIS QB 3.338 2.670 4.006 5.037 4.146 6.051 2.045 18 19 "[****** **********+*-]" 1
94 1 16 LYS HA 1 19 HIS HA 4.534 3.627 4.681 5.732 4.721 6.501 1.820 17 17 "[******* *1***** +-**]" 1
95 2 16 LYS HA 2 19 HIS HA 4.534 3.627 4.681 5.731 4.721 6.498 1.817 17 17 "[******* *1***** +-**]" 1
96 1 16 LYS HA 1 17 ASN H 4.017 3.214 4.820 3.564 3.407 3.606 . 0 0 "[ . 1 . 2]" 1
97 2 16 LYS HA 2 17 ASN H 4.017 3.214 4.820 3.563 3.408 3.607 . 0 0 "[ . 1 . 2]" 1
98 1 13 LEU QB 1 16 LYS QB 3.335 2.668 3.511 3.578 3.001 5.127 1.616 16 3 "[ . - 1 .+ * 2]" 1
99 2 13 LEU QB 2 16 LYS QB 3.335 2.668 3.511 3.577 2.998 5.126 1.615 16 3 "[ . - 1 .+ * 2]" 1
100 1 12 GLU QB 1 16 LYS QB 3.756 3.005 4.507 5.274 4.660 7.802 3.295 16 12 "[* **. * *** **+ - *]" 1
101 2 12 GLU QB 2 16 LYS QB 3.756 3.005 4.507 5.273 4.660 7.805 3.298 16 12 "[* **. * *** **+ - *]" 1
102 2 11 GLU HA 2 14 LEU H 4.321 3.457 5.185 3.269 2.868 3.748 0.589 17 1 "[ . 1 . + 2]" 1
103 1 11 GLU HA 1 14 LEU H 4.321 3.457 5.185 3.268 2.873 3.751 0.584 17 2 "[ . 1 .-+ 2]" 1
104 1 22 ASN HA 1 26 ARG QB 3.721 2.977 4.465 5.377 4.596 6.601 2.136 9 15 "[***** **+1-** * * **]" 1
105 2 22 ASN HA 2 26 ARG QB 3.721 2.977 4.465 5.377 4.594 6.606 2.141 9 14 "[***** **+1 ** * - **]" 1
106 2 22 ASN HA 2 25 ALA MB 2.391 . 2.869 2.729 2.675 2.786 . 0 0 "[ . 1 . 2]" 1
107 1 22 ASN HA 1 25 ALA MB 2.391 . 2.869 2.729 2.674 2.782 . 0 0 "[ . 1 . 2]" 1
108 2 22 ASN H 2 22 ASN HA 3.245 2.596 3.787 2.821 2.801 2.856 . 0 0 "[ . 1 . 2]" 1
109 1 22 ASN H 1 22 ASN HA 3.245 2.596 3.787 2.821 2.802 2.853 . 0 0 "[ . 1 . 2]" 1
110 1 23 GLU HA 1 24 VAL HA 4.063 3.250 4.876 4.759 4.722 4.817 . 0 0 "[ . 1 . 2]" 1
111 2 23 GLU HA 2 24 VAL HA 4.063 3.250 4.876 4.759 4.722 4.819 . 0 0 "[ . 1 . 2]" 1
112 1 22 ASN HB2 1 23 GLU HA 4.565 3.652 5.478 4.499 4.217 4.827 . 0 0 "[ . 1 . 2]" 1
113 2 22 ASN HB2 2 23 GLU HA 4.565 3.652 5.478 4.500 4.223 4.824 . 0 0 "[ . 1 . 2]" 1
114 1 23 GLU QB 2 24 VAL QG 5.168 4.134 6.202 2.227 1.797 3.288 2.337 14 20 [******-******+******] 1
115 1 24 VAL QG 2 23 GLU QB 5.168 4.134 6.202 2.233 1.799 3.327 2.335 8 20 [******-+************] 1
116 1 23 GLU QG 1 26 ARG QG 5.098 4.078 6.118 3.964 2.688 5.305 1.390 17 5 "[ * . *1- * + 2]" 1
117 2 23 GLU QG 2 26 ARG QG 5.098 4.078 6.118 3.963 2.694 5.308 1.384 17 5 "[ * . *1- * + 2]" 1
118 1 23 GLU QG 1 25 ALA HA 5.773 4.618 6.928 7.717 6.958 8.245 1.317 4 14 "[* +** * *****.* **-]" 1
119 2 23 GLU QG 2 25 ALA HA 5.773 4.618 6.928 7.717 6.963 8.251 1.323 4 14 "[* +** * *****.* **-]" 1
120 1 23 GLU QG 1 24 VAL HB 4.675 3.740 5.610 6.208 5.359 6.951 1.341 11 12 "[* *.* * -+***.* **2]" 1
121 2 23 GLU QG 2 24 VAL HB 4.675 3.740 5.610 6.208 5.355 6.955 1.345 11 12 "[* *.* * *+***.- **2]" 1
122 1 22 ASN H 1 24 VAL HB 4.215 3.372 5.058 5.716 5.269 7.267 2.209 7 13 "[-* ** +**1 * *** **]" 1
123 2 22 ASN H 2 24 VAL HB 4.215 3.372 5.058 5.716 5.267 7.267 2.209 7 14 "[** ** +**1 * ***- **]" 1
124 2 25 ALA HA 2 27 LEU QB 4.297 3.438 5.156 5.239 4.954 5.558 0.402 8 0 "[ . 1 . 2]" 1
125 1 25 ALA HA 1 27 LEU QB 4.297 3.438 5.156 5.238 4.957 5.559 0.403 8 0 "[ . 1 . 2]" 1
126 2 22 ASN HA 2 25 ALA HA 4.255 3.404 5.106 5.419 5.309 5.589 0.483 10 0 "[ . 1 . 2]" 1
127 1 22 ASN HA 1 25 ALA HA 4.255 3.404 5.106 5.420 5.314 5.585 0.479 10 0 "[ . 1 . 2]" 1
128 1 25 ALA MB 1 30 LEU QB 4.169 3.335 5.003 7.550 7.180 7.911 2.908 5 20 [**-*+***************] 1
129 2 23 GLU HA 2 23 GLU QG 4.422 3.538 5.306 2.659 2.315 3.109 1.223 4 17 "[ **+*****1***-* ****]" 1
130 1 23 GLU HA 1 23 GLU QG 4.422 3.538 5.306 2.659 2.314 3.107 1.224 4 17 "[ **+*****1***-* ****]" 1
131 2 27 LEU QB 2 32 GLY QA 4.444 3.555 5.333 7.589 7.153 7.940 2.607 18 20 [***************-*+**] 1
132 1 27 LEU QB 1 32 GLY QA 4.444 3.555 5.333 7.589 7.153 7.941 2.608 18 20 [***************-*+**] 1
133 2 31 VAL MG2 2 32 GLY H 3.226 2.762 3.871 3.866 3.725 3.994 0.123 7 0 "[ . 1 . 2]" 1
134 1 31 VAL MG2 1 32 GLY H 3.226 2.762 3.871 3.866 3.723 3.998 0.127 7 0 "[ . 1 . 2]" 1
135 2 28 LYS QB 2 28 LYS HD2 3.371 2.697 4.045 2.815 2.308 3.312 0.389 17 0 "[ . 1 . 2]" 1
136 1 28 LYS QB 1 28 LYS HD2 3.371 2.697 4.045 2.815 2.307 3.314 0.390 17 0 "[ . 1 . 2]" 1
137 2 30 LEU HA 2 31 VAL H 3.062 2.450 3.674 3.503 3.438 3.530 . 0 0 "[ . 1 . 2]" 1
138 1 30 LEU HA 1 31 VAL H 3.062 2.450 3.674 3.503 3.436 3.528 . 0 0 "[ . 1 . 2]" 1
139 1 30 LEU HA 1 32 GLY H 4.069 3.255 4.883 4.150 3.939 4.385 . 0 0 "[ . 1 . 2]" 1
140 2 30 LEU HA 2 32 GLY H 4.069 3.255 4.883 4.151 3.948 4.388 . 0 0 "[ . 1 . 2]" 1
141 1 28 LYS HA 1 30 LEU QB 3.984 3.187 4.781 5.081 4.645 5.258 0.477 12 0 "[ . 1 . 2]" 1
142 2 28 LYS HA 2 30 LEU QB 3.984 3.187 4.781 5.082 4.643 5.261 0.480 12 0 "[ . 1 . 2]" 1
143 2 13 LEU QD 2 14 LEU H 2.993 2.194 3.792 4.095 3.918 4.280 0.488 16 0 "[ . 1 . 2]" 1
144 1 13 LEU QD 1 14 LEU H 2.993 2.194 3.792 4.094 3.918 4.283 0.491 16 0 "[ . 1 . 2]" 1
145 1 28 LYS HA 1 31 VAL H 3.783 3.026 4.540 3.512 2.790 3.734 0.236 9 0 "[ . 1 . 2]" 1
146 2 28 LYS HA 2 31 VAL H 3.783 3.026 4.540 3.513 2.783 3.741 0.243 9 0 "[ . 1 . 2]" 1
147 2 6 LEU H 2 6 LEU QB 3.355 2.744 4.026 2.225 2.135 2.388 0.609 5 14 "[ ***+ -*** **** * *]" 1
148 1 6 LEU H 1 6 LEU QB 3.355 2.744 4.026 2.226 2.135 2.391 0.609 5 14 "[ ***+ -*** **** * *]" 1
149 1 21 GLU H 1 23 GLU H 4.226 3.381 5.071 3.891 3.750 4.048 . 0 0 "[ . 1 . 2]" 1
150 2 21 GLU H 2 23 GLU H 4.226 3.381 5.071 3.889 3.751 4.047 . 0 0 "[ . 1 . 2]" 1
151 2 28 LYS HA 2 29 LYS H 4.131 3.305 4.957 3.544 3.492 3.573 . 0 0 "[ . 1 . 2]" 1
152 1 28 LYS HA 1 29 LYS H 4.131 3.305 4.957 3.544 3.495 3.572 . 0 0 "[ . 1 . 2]" 1
153 1 4 LYS H 1 5 GLN H 2.979 2.570 3.575 2.651 2.469 2.979 0.101 17 0 "[ . 1 . 2]" 1
154 2 4 LYS H 2 5 GLN H 2.979 2.570 3.575 2.650 2.457 2.970 0.113 17 0 "[ . 1 . 2]" 1
155 2 29 LYS HA 2 30 LEU H 3.027 2.422 3.580 3.479 3.379 3.531 . 0 0 "[ . 1 . 2]" 1
156 1 29 LYS HA 1 30 LEU H 3.027 2.422 3.580 3.480 3.378 3.531 . 0 0 "[ . 1 . 2]" 1
157 1 23 GLU H 1 24 VAL H 3.120 2.610 3.744 2.494 2.384 2.587 0.226 3 0 "[ . 1 . 2]" 1
158 2 23 GLU H 2 24 VAL H 3.120 2.610 3.744 2.493 2.373 2.584 0.237 3 0 "[ . 1 . 2]" 1
159 1 5 GLN H 1 5 GLN QG 2.939 2.351 3.527 2.443 1.982 3.230 0.369 16 0 "[ . 1 . 2]" 1
160 2 5 GLN H 2 5 GLN QG 2.939 2.351 3.527 2.445 1.977 3.235 0.374 16 0 "[ . 1 . 2]" 1
161 1 31 VAL H 1 31 VAL HB 3.405 2.724 4.086 2.599 2.524 2.682 0.200 7 0 "[ . 1 . 2]" 1
162 2 31 VAL H 2 31 VAL HB 3.405 2.724 4.086 2.598 2.522 2.682 0.202 7 0 "[ . 1 . 2]" 1
163 2 17 ASN H 2 19 HIS H 4.137 3.310 4.964 4.320 3.803 4.638 . 0 0 "[ . 1 . 2]" 1
164 1 17 ASN H 1 19 HIS H 4.137 3.310 4.964 4.320 3.803 4.639 . 0 0 "[ . 1 . 2]" 1
165 1 22 ASN H 1 22 ASN HB2 2.788 2.230 3.346 2.390 2.224 2.549 0.006 16 0 "[ . 1 . 2]" 1
166 2 22 ASN H 2 22 ASN HB2 2.788 2.230 3.346 2.388 2.223 2.543 0.007 16 0 "[ . 1 . 2]" 1
167 2 26 ARG QG 2 27 LEU H 2.634 2.107 3.161 2.370 2.051 3.831 0.670 7 1 "[ . + 1 . 2]" 1
168 1 26 ARG QG 1 27 LEU H 2.634 2.107 3.161 2.370 2.055 3.831 0.670 7 1 "[ . + 1 . 2]" 1
169 1 5 GLN H 1 5 GLN HA 3.122 2.498 3.746 2.831 2.780 2.925 . 0 0 "[ . 1 . 2]" 1
170 2 5 GLN H 2 5 GLN HA 3.122 2.498 3.746 2.831 2.779 2.926 . 0 0 "[ . 1 . 2]" 1
171 2 25 ALA H 2 27 LEU H 3.421 2.737 4.105 4.302 4.101 4.409 0.304 19 0 "[ . 1 . 2]" 1
172 1 25 ALA H 1 27 LEU H 3.421 2.737 4.105 4.301 4.107 4.404 0.299 19 0 "[ . 1 . 2]" 1
173 1 19 HIS H 1 20 LEU H 3.103 2.906 3.724 2.593 2.502 2.775 0.404 7 0 "[ . 1 . 2]" 1
174 2 19 HIS H 2 20 LEU H 3.103 2.906 3.724 2.593 2.496 2.765 0.410 7 0 "[ . 1 . 2]" 1
175 1 13 LEU H 1 17 ASN H 4.460 3.568 5.352 6.012 5.693 7.437 2.085 16 14 "[*-**** *****.+ * *]" 1
176 2 13 LEU H 2 17 ASN H 4.460 3.568 5.352 6.012 5.696 7.438 2.086 16 14 "[*-**** *****.+ * *]" 1
177 2 22 ASN HA 2 23 GLU H 3.721 2.977 4.465 3.460 3.400 3.512 . 0 0 "[ . 1 . 2]" 1
178 1 22 ASN HA 1 23 GLU H 3.721 2.977 4.465 3.461 3.401 3.512 . 0 0 "[ . 1 . 2]" 1
179 1 30 LEU H 1 32 GLY H 3.584 3.230 4.501 3.812 3.473 4.067 . 0 0 "[ . 1 . 2]" 1
180 2 30 LEU H 2 32 GLY H 3.584 3.230 4.501 3.815 3.473 4.071 . 0 0 "[ . 1 . 2]" 1
181 1 7 GLU H 1 7 GLU QB 2.938 2.612 3.526 2.352 2.153 2.524 0.459 17 0 "[ . 1 . 2]" 1
182 2 7 GLU H 2 7 GLU QB 2.938 2.612 3.526 2.352 2.150 2.521 0.462 17 0 "[ . 1 . 2]" 1
183 1 17 ASN H 1 17 ASN QB 3.660 2.928 3.854 2.388 2.149 2.732 0.779 11 11 "[- . ****+ * ** **2]" 1
184 2 17 ASN H 2 17 ASN QB 3.660 2.928 3.854 2.388 2.147 2.736 0.781 11 11 "[- . ****+ * ** **2]" 1
185 2 24 VAL QG 2 25 ALA H 3.109 2.487 3.731 3.242 2.289 3.446 0.198 7 0 "[ . 1 . 2]" 1
186 1 24 VAL QG 1 25 ALA H 3.109 2.487 3.731 3.243 2.290 3.445 0.197 7 0 "[ . 1 . 2]" 1
187 2 24 VAL H 2 24 VAL HB 2.780 2.224 3.336 2.729 2.538 3.548 0.212 7 0 "[ . 1 . 2]" 1
188 1 24 VAL H 1 24 VAL HB 2.780 2.224 3.336 2.728 2.537 3.550 0.214 7 0 "[ . 1 . 2]" 1
189 2 15 SER H 2 16 LYS H 3.188 2.803 3.826 2.624 2.463 2.956 0.340 6 0 "[ . 1 . 2]" 1
190 1 15 SER H 1 16 LYS H 3.188 2.803 3.826 2.626 2.464 2.967 0.339 2 0 "[ . 1 . 2]" 1
191 1 21 GLU H 1 22 ASN H 3.399 2.719 4.056 2.623 2.527 2.738 0.192 19 0 "[ . 1 . 2]" 1
192 2 21 GLU H 2 22 ASN H 3.399 2.719 4.056 2.622 2.524 2.733 0.195 19 0 "[ . 1 . 2]" 1
193 2 27 LEU H 2 27 LEU HA 3.098 2.478 3.718 2.831 2.791 2.860 . 0 0 "[ . 1 . 2]" 1
194 1 27 LEU H 1 27 LEU HA 3.098 2.478 3.718 2.831 2.789 2.858 . 0 0 "[ . 1 . 2]" 1
195 2 29 LYS H 2 30 LEU H 2.958 2.666 3.550 2.488 2.340 2.698 0.326 8 0 "[ . 1 . 2]" 1
196 1 29 LYS H 1 30 LEU H 2.958 2.666 3.550 2.492 2.345 2.699 0.321 8 0 "[ . 1 . 2]" 1
197 2 14 LEU H 2 18 TYR H 4.365 3.492 5.238 6.024 5.647 7.185 1.947 16 17 "[*** **-*** ***+****]" 1
198 1 14 LEU H 1 18 TYR H 4.365 3.492 5.238 6.025 5.645 7.183 1.945 16 17 "[*** **-*** ***+****]" 1
199 1 7 GLU HA 1 10 VAL H 3.786 3.029 4.543 3.632 3.135 4.139 . 0 0 "[ . 1 . 2]" 1
200 2 7 GLU HA 2 10 VAL H 3.786 3.029 4.543 3.633 3.139 4.141 . 0 0 "[ . 1 . 2]" 1
201 2 6 LEU H 2 6 LEU HA 3.067 2.454 3.680 2.835 2.809 2.902 . 0 0 "[ . 1 . 2]" 1
202 1 6 LEU H 1 6 LEU HA 3.067 2.454 3.680 2.835 2.807 2.901 . 0 0 "[ . 1 . 2]" 1
203 1 20 LEU H 1 20 LEU QB 3.655 2.924 4.386 2.157 2.044 2.230 0.880 18 20 [******-**********+**] 1
204 2 20 LEU H 2 20 LEU QB 3.655 2.924 4.386 2.156 2.043 2.226 0.881 18 20 [******-**********+**] 1
205 2 24 VAL H 2 25 ALA H 3.145 2.516 3.774 2.558 2.481 2.648 0.035 7 0 "[ . 1 . 2]" 1
206 1 24 VAL H 1 25 ALA H 3.145 2.516 3.774 2.557 2.480 2.650 0.036 7 0 "[ . 1 . 2]" 1
207 2 3 MET H 2 4 LYS H 3.526 2.902 4.231 2.928 2.504 4.634 0.403 16 0 "[ . 1 . 2]" 1
208 1 3 MET H 1 4 LYS H 3.526 2.902 4.231 2.928 2.503 4.634 0.403 16 0 "[ . 1 . 2]" 1
209 1 23 GLU H 1 23 GLU QB 3.452 2.762 4.142 2.350 2.234 2.545 0.528 11 6 "[ * ** * 1+ . -]" 1
210 2 23 GLU H 2 23 GLU QB 3.452 2.762 4.142 2.351 2.236 2.544 0.526 4 6 "[ * +* - 1* . *]" 1
211 1 2 SER HA 1 3 MET H 3.823 2.858 4.788 3.294 2.637 3.596 0.221 8 0 "[ . 1 . 2]" 1
212 2 2 SER HA 2 3 MET H 3.823 2.858 4.788 3.293 2.635 3.598 0.223 8 0 "[ . 1 . 2]" 1
213 1 18 TYR H 1 21 GLU H 3.468 2.474 4.462 4.546 4.411 4.639 0.177 7 0 "[ . 1 . 2]" 1
214 2 18 TYR H 2 21 GLU H 3.468 2.474 4.462 4.548 4.419 4.638 0.176 7 0 "[ . 1 . 2]" 1
215 1 14 LEU MD1 1 15 SER H 4.010 3.208 4.812 3.656 2.760 5.110 0.448 11 0 "[ . 1 . 2]" 1
216 2 14 LEU MD1 2 15 SER H 4.010 3.208 4.812 3.656 2.761 5.112 0.447 11 0 "[ . 1 . 2]" 1
217 1 29 LYS QD 1 30 LEU H 3.264 2.611 3.917 4.672 4.049 5.292 1.375 9 17 "[ *******+***-*.** **]" 1
218 2 29 LYS QD 2 30 LEU H 3.264 2.611 3.917 4.671 4.051 5.293 1.376 9 17 "[ *******+***-*.** **]" 1
219 2 9 LYS HA 2 12 GLU H 3.496 2.797 4.195 3.525 3.230 4.008 . 0 0 "[ . 1 . 2]" 1
220 1 9 LYS HA 1 12 GLU H 3.496 2.797 4.195 3.525 3.232 4.004 . 0 0 "[ . 1 . 2]" 1
221 2 29 LYS H 2 29 LYS HA 3.011 2.409 3.613 2.851 2.797 2.908 . 0 0 "[ . 1 . 2]" 1
222 1 29 LYS H 1 29 LYS HA 3.011 2.409 3.613 2.851 2.796 2.908 . 0 0 "[ . 1 . 2]" 1
223 1 19 HIS HA 1 20 LEU H 3.520 2.816 4.224 3.511 3.473 3.561 . 0 0 "[ . 1 . 2]" 1
224 2 19 HIS HA 2 20 LEU H 3.520 2.816 4.224 3.512 3.478 3.561 . 0 0 "[ . 1 . 2]" 1
225 1 26 ARG H 1 26 ARG QG 2.674 2.139 3.209 2.354 1.806 3.825 0.616 14 1 "[ . 1 +. 2]" 1
226 2 26 ARG H 2 26 ARG QG 2.674 2.139 3.209 2.354 1.812 3.825 0.616 14 1 "[ . 1 +. 2]" 1
227 2 9 LYS HA 2 13 LEU H 3.732 2.986 4.478 4.181 3.897 4.577 0.099 17 0 "[ . 1 . 2]" 1
228 1 9 LYS HA 1 13 LEU H 3.732 2.986 4.478 4.181 3.894 4.576 0.098 17 0 "[ . 1 . 2]" 1
229 1 18 TYR H 1 19 HIS H 2.930 2.691 3.516 2.698 2.407 2.927 0.284 16 0 "[ . 1 . 2]" 1
230 2 18 TYR H 2 19 HIS H 2.930 2.691 3.516 2.699 2.413 2.923 0.278 16 0 "[ . 1 . 2]" 1
231 1 4 LYS H 1 4 LYS QB 3.153 2.522 3.245 2.296 2.224 2.407 0.298 17 0 "[ . 1 . 2]" 1
232 2 4 LYS H 2 4 LYS QB 3.153 2.522 3.245 2.296 2.227 2.405 0.295 17 0 "[ . 1 . 2]" 1
233 2 17 ASN QB 2 18 TYR H 3.298 2.638 3.958 3.002 2.255 3.768 0.383 7 0 "[ . 1 . 2]" 1
234 1 17 ASN QB 1 18 TYR H 3.298 2.638 3.958 3.001 2.253 3.771 0.385 20 0 "[ . 1 . 2]" 1
235 1 6 LEU H 1 7 GLU H . 3.334 3.986 2.613 2.332 2.764 1.002 11 20 [*-********+*********] 1
236 2 6 LEU H 2 7 GLU H . 3.334 3.986 2.613 2.331 2.760 1.003 11 20 [*-********+*********] 1
237 1 16 LYS QD 1 20 LEU H 3.197 2.558 3.836 6.720 5.447 7.339 3.503 3 20 [**+************-****] 1
238 2 16 LYS QD 2 20 LEU H 3.197 2.558 3.836 6.720 5.448 7.342 3.506 11 20 [**********+****-****] 1
239 1 30 LEU H 1 30 LEU QB 2.955 2.364 3.379 2.288 2.125 2.507 0.239 3 0 "[ . 1 . 2]" 1
240 2 30 LEU H 2 30 LEU QB 2.955 2.364 3.379 2.288 2.126 2.506 0.238 3 0 "[ . 1 . 2]" 1
241 2 13 LEU H 2 13 LEU HG 3.060 2.448 3.672 3.332 2.299 3.899 0.227 16 0 "[ . 1 . 2]" 1
242 1 13 LEU H 1 13 LEU HG 3.060 2.448 3.672 3.331 2.298 3.898 0.226 16 0 "[ . 1 . 2]" 1
243 2 13 LEU H 2 13 LEU QB . 2.923 3.610 2.309 2.077 2.448 0.846 10 19 "[** *****-+**********]" 1
244 1 13 LEU H 1 13 LEU QB . 2.923 3.610 2.308 2.073 2.446 0.850 10 19 "[** ******+-*********]" 1
245 1 30 LEU H 1 30 LEU HG 2.897 2.318 3.476 3.194 2.207 4.267 0.791 13 7 "[ ** . - 1**+ * 2]" 1
246 2 30 LEU H 2 30 LEU HG 2.897 2.318 3.476 3.191 2.205 4.263 0.787 13 7 "[ ** . - 1**+ * 2]" 1
247 2 10 VAL H 2 11 GLU H 2.977 2.382 3.572 2.665 2.572 2.751 . 0 0 "[ . 1 . 2]" 1
248 1 10 VAL H 1 11 GLU H 2.977 2.382 3.572 2.665 2.574 2.751 . 0 0 "[ . 1 . 2]" 1
249 1 31 VAL H 1 31 VAL HA 2.980 2.384 3.576 2.879 2.835 2.918 . 0 0 "[ . 1 . 2]" 1
250 2 31 VAL H 2 31 VAL HA 2.980 2.384 3.576 2.879 2.836 2.918 . 0 0 "[ . 1 . 2]" 1
251 1 21 GLU H 1 21 GLU HA 3.338 2.670 4.006 2.823 2.800 2.844 . 0 0 "[ . 1 . 2]" 1
252 2 21 GLU H 2 21 GLU HA 3.338 2.670 4.006 2.823 2.802 2.844 . 0 0 "[ . 1 . 2]" 1
253 2 28 LYS H 2 30 LEU QB 3.455 2.764 4.146 4.865 4.641 5.058 0.912 5 19 "[**- +***************]" 1
254 1 28 LYS H 1 30 LEU QB 3.455 2.764 4.146 4.865 4.640 5.050 0.904 5 19 "[**- +***************]" 1
255 1 13 LEU H 1 13 LEU HA 3.323 2.658 3.988 2.831 2.811 2.849 . 0 0 "[ . 1 . 2]" 1
256 2 13 LEU H 2 13 LEU HA 3.323 2.658 3.988 2.831 2.809 2.847 . 0 0 "[ . 1 . 2]" 1
257 1 12 GLU H 1 12 GLU HA 2.907 2.326 3.488 2.790 2.773 2.812 . 0 0 "[ . 1 . 2]" 1
258 2 12 GLU H 2 12 GLU HA 2.907 2.326 3.488 2.789 2.772 2.812 . 0 0 "[ . 1 . 2]" 1
259 1 14 LEU H 1 14 LEU HB3 2.995 2.396 3.594 2.715 2.436 3.617 0.023 7 0 "[ . 1 . 2]" 1
260 2 14 LEU H 2 14 LEU HB3 2.995 2.396 3.594 2.714 2.440 3.611 0.017 7 0 "[ . 1 . 2]" 1
261 2 25 ALA H 2 26 ARG H 2.188 . 2.626 2.631 2.323 2.799 0.173 2 0 "[ . 1 . 2]" 1
262 1 25 ALA H 1 26 ARG H 2.188 . 2.626 2.630 2.327 2.794 0.168 2 0 "[ . 1 . 2]" 1
263 2 19 HIS H 2 22 ASN H 3.539 2.631 4.447 4.744 4.563 4.975 0.528 17 1 "[ . 1 . + 2]" 1
264 1 19 HIS H 1 22 ASN H 3.539 2.631 4.447 4.742 4.559 4.977 0.530 17 1 "[ . 1 . + 2]" 1
265 2 9 LYS H 2 9 LYS HA 3.102 2.482 3.722 2.842 2.793 2.930 . 0 0 "[ . 1 . 2]" 1
266 1 9 LYS H 1 9 LYS HA 3.102 2.482 3.722 2.841 2.794 2.930 . 0 0 "[ . 1 . 2]" 1
267 1 20 LEU H 1 20 LEU HA 3.314 2.651 3.977 2.826 2.740 2.871 . 0 0 "[ . 1 . 2]" 1
268 2 20 LEU H 2 20 LEU HA 3.314 2.651 3.977 2.826 2.739 2.873 . 0 0 "[ . 1 . 2]" 1
269 1 19 HIS HA 1 21 GLU H 3.826 3.061 4.591 4.296 4.086 4.564 . 0 0 "[ . 1 . 2]" 1
270 2 19 HIS HA 2 21 GLU H 3.826 3.061 4.591 4.295 4.089 4.558 . 0 0 "[ . 1 . 2]" 1
271 2 12 GLU HA 2 16 LYS H 2.914 2.331 3.497 4.365 3.937 6.339 2.842 16 19 "[****** *******-+****]" 1
272 1 12 GLU HA 1 16 LYS H 2.914 2.331 3.497 4.365 3.937 6.336 2.839 16 19 "[****** *******-+****]" 1
273 2 11 GLU H 2 11 GLU HA 3.219 2.575 3.863 2.840 2.786 2.889 . 0 0 "[ . 1 . 2]" 1
274 1 11 GLU H 1 11 GLU HA 3.219 2.575 3.863 2.840 2.785 2.888 . 0 0 "[ . 1 . 2]" 1
275 1 20 LEU H 1 20 LEU HG 3.292 2.634 3.950 4.272 3.972 4.446 0.496 17 0 "[ . 1 . 2]" 1
276 2 20 LEU H 2 20 LEU HG 3.292 2.634 3.950 4.273 3.981 4.445 0.495 17 0 "[ . 1 . 2]" 1
277 1 3 MET H 1 3 MET HA 3.011 2.409 3.613 2.738 2.259 2.875 0.150 16 0 "[ . 1 . 2]" 1
278 2 3 MET H 2 3 MET HA 3.011 2.409 3.613 2.738 2.257 2.875 0.152 16 0 "[ . 1 . 2]" 1
279 2 9 LYS HA 2 10 VAL H 3.743 2.994 4.492 3.557 3.514 3.585 . 0 0 "[ . 1 . 2]" 1
280 1 9 LYS HA 1 10 VAL H 3.743 2.994 4.492 3.557 3.517 3.584 . 0 0 "[ . 1 . 2]" 1
281 2 10 VAL H 2 11 GLU QG 3.003 2.402 3.604 5.327 4.168 6.374 2.770 3 20 [**+********-********] 1
282 1 10 VAL H 1 11 GLU QG 3.003 2.402 3.604 5.326 4.171 6.379 2.775 3 20 [**+********-********] 1
283 2 17 ASN HA 2 18 TYR H 3.819 3.055 4.583 3.507 3.402 3.586 . 0 0 "[ . 1 . 2]" 1
284 1 17 ASN HA 1 18 TYR H 3.819 3.055 4.583 3.507 3.401 3.588 . 0 0 "[ . 1 . 2]" 1
285 1 9 LYS H 1 10 VAL H 3.408 2.726 3.408 2.651 2.404 2.956 0.322 17 0 "[ . 1 . 2]" 1
286 2 9 LYS H 2 10 VAL H 3.408 2.726 3.408 2.648 2.402 2.963 0.324 17 0 "[ . 1 . 2]" 1
287 1 14 LEU H 1 14 LEU HB2 3.317 2.654 3.980 2.588 2.281 3.713 0.373 17 0 "[ . 1 . 2]" 1
288 2 14 LEU H 2 14 LEU HB2 3.317 2.654 3.980 2.588 2.279 3.713 0.375 17 0 "[ . 1 . 2]" 1
289 1 18 TYR HB2 1 19 HIS H 3.084 2.467 3.701 3.483 2.570 3.913 0.212 10 0 "[ . 1 . 2]" 1
290 2 18 TYR HB2 2 19 HIS H 3.084 2.467 3.701 3.485 2.569 3.920 0.219 13 0 "[ . 1 . 2]" 1
291 2 9 LYS H 2 9 LYS QB . 3.040 3.427 2.314 2.212 2.503 0.828 8 20 [*******+******-*****] 1
292 1 9 LYS H 1 9 LYS QB . 3.040 3.427 2.313 2.208 2.503 0.832 8 20 [*******+******-*****] 1
293 2 21 GLU HA 2 22 ASN H 3.833 3.066 4.600 3.509 3.423 3.543 . 0 0 "[ . 1 . 2]" 1
294 1 21 GLU HA 1 22 ASN H 3.833 3.066 4.600 3.509 3.424 3.539 . 0 0 "[ . 1 . 2]" 1
295 2 27 LEU H 2 27 LEU QB . 2.825 3.583 2.367 2.258 2.472 0.567 5 10 "[*- +* *1 ** ***]" 1
296 1 27 LEU H 1 27 LEU QB . 2.825 3.583 2.367 2.253 2.476 0.572 5 10 "[-* +* *1 ** ***]" 1
297 1 5 GLN H 1 5 GLN QB 2.920 2.336 3.504 2.432 2.312 2.593 0.024 10 0 "[ . 1 . 2]" 1
298 2 5 GLN H 2 5 GLN QB 2.920 2.336 3.504 2.432 2.309 2.594 0.027 10 0 "[ . 1 . 2]" 1
299 2 10 VAL H 2 10 VAL HA 3.561 2.930 4.273 2.824 2.793 2.845 0.137 18 0 "[ . 1 . 2]" 1
300 1 10 VAL H 1 10 VAL HA 3.561 2.930 4.273 2.825 2.793 2.849 0.137 18 0 "[ . 1 . 2]" 1
301 1 26 ARG H 1 27 LEU QB 3.018 2.414 3.622 4.588 4.373 4.759 1.137 8 20 [-******+************] 1
302 2 26 ARG H 2 27 LEU QB 3.018 2.414 3.622 4.587 4.364 4.762 1.140 8 20 [-******+************] 1
303 1 11 GLU H 1 11 GLU QG 2.699 2.159 3.239 3.148 2.144 4.059 0.820 3 10 "[* + . **** - .* **2]" 1
304 2 11 GLU H 2 11 GLU QG 2.699 2.159 3.239 3.150 2.140 4.056 0.817 3 10 "[* + . **** - .* **2]" 1
305 2 25 ALA H 2 25 ALA HA 3.025 2.420 3.630 2.831 2.795 2.889 . 0 0 "[ . 1 . 2]" 1
306 1 25 ALA H 1 25 ALA HA 3.025 2.420 3.630 2.832 2.796 2.888 . 0 0 "[ . 1 . 2]" 1
307 1 21 GLU H 1 24 VAL QG 3.311 2.649 3.973 4.272 3.791 4.622 0.649 20 2 "[ - . 1 . +]" 1
308 2 21 GLU H 2 24 VAL QG 3.311 2.649 3.973 4.271 3.790 4.620 0.647 20 2 "[ - . 1 . +]" 1
309 1 13 LEU H 1 13 LEU QD 3.114 2.491 3.737 2.411 1.963 3.413 0.528 17 4 "[* * -1 . + 2]" 1
310 2 13 LEU H 2 13 LEU QD 3.114 2.491 3.737 2.412 1.964 3.414 0.527 1 4 "[+ * -1 . * 2]" 1
311 2 26 ARG H 2 26 ARG HA 2.813 2.250 3.376 2.825 2.798 2.871 . 0 0 "[ . 1 . 2]" 1
312 1 26 ARG H 1 26 ARG HA 2.813 2.250 3.376 2.825 2.800 2.868 . 0 0 "[ . 1 . 2]" 1
313 2 28 LYS H 2 29 LYS H 3.380 3.258 4.056 2.865 2.744 2.986 0.514 9 1 "[ . +1 . 2]" 1
314 1 28 LYS H 1 29 LYS H 3.380 3.258 4.056 2.865 2.747 2.987 0.511 9 2 "[ . +1 -. 2]" 1
315 1 11 GLU HA 1 12 GLU H 3.026 2.421 3.631 3.519 3.440 3.560 . 0 0 "[ . 1 . 2]" 1
316 2 11 GLU HA 2 12 GLU H 3.026 2.421 3.631 3.520 3.446 3.561 . 0 0 "[ . 1 . 2]" 1
317 1 23 GLU H 1 26 ARG H 4.003 3.202 4.804 4.773 4.457 4.984 0.180 2 0 "[ . 1 . 2]" 1
318 2 23 GLU H 2 26 ARG H 4.003 3.202 4.804 4.773 4.455 4.985 0.181 2 0 "[ . 1 . 2]" 1
319 1 27 LEU H 1 28 LYS H 3.372 2.698 4.046 2.642 2.587 2.824 0.111 11 0 "[ . 1 . 2]" 1
320 2 27 LEU H 2 28 LYS H 3.372 2.698 4.046 2.642 2.581 2.819 0.117 11 0 "[ . 1 . 2]" 1
321 1 15 SER H 1 15 SER HA 2.727 2.182 3.272 2.827 2.750 2.863 . 0 0 "[ . 1 . 2]" 1
322 2 15 SER H 2 15 SER HA 2.727 2.182 3.272 2.827 2.751 2.864 . 0 0 "[ . 1 . 2]" 1
323 1 23 GLU H 1 24 VAL QG 3.434 2.747 4.121 3.719 3.410 3.893 . 0 0 "[ . 1 . 2]" 1
324 2 23 GLU H 2 24 VAL QG 3.434 2.747 4.121 3.718 3.407 3.893 . 0 0 "[ . 1 . 2]" 1
325 2 28 LYS H 2 28 LYS HA 3.476 2.781 4.171 2.757 2.725 2.814 0.056 6 0 "[ . 1 . 2]" 1
326 1 28 LYS H 1 28 LYS HA 3.476 2.781 4.171 2.757 2.722 2.815 0.059 6 0 "[ . 1 . 2]" 1
327 1 7 GLU H 1 10 VAL QG 3.510 2.808 4.212 4.314 4.039 5.050 0.838 3 3 "[ + . 1 . - *]" 1
328 2 7 GLU H 2 10 VAL QG 3.510 2.808 4.212 4.315 4.040 5.051 0.839 3 3 "[ + . 1 . - *]" 1
329 1 29 LYS H 1 31 VAL H 3.860 3.107 4.632 4.023 3.828 4.184 . 0 0 "[ . 1 . 2]" 1
330 2 29 LYS H 2 31 VAL H 3.860 3.107 4.632 4.020 3.835 4.182 . 0 0 "[ . 1 . 2]" 1
331 2 11 GLU H 2 12 GLU H 3.003 2.414 3.604 2.568 2.352 2.772 0.062 16 0 "[ . 1 . 2]" 1
332 1 11 GLU H 1 12 GLU H 3.003 2.414 3.604 2.568 2.361 2.771 0.053 16 0 "[ . 1 . 2]" 1
333 1 5 GLN H 1 6 LEU H 3.735 2.988 4.033 2.611 2.289 2.905 0.699 19 3 "[ * . 1 . +-]" 1
334 2 5 GLN H 2 6 LEU H 3.735 2.988 4.033 2.610 2.290 2.908 0.698 19 3 "[ * . 1 . +-]" 1
335 2 7 GLU H 2 10 VAL H 3.952 2.962 4.942 4.919 4.691 5.222 0.280 7 0 "[ . 1 . 2]" 1
336 1 7 GLU H 1 10 VAL H 3.952 2.962 4.942 4.918 4.690 5.224 0.282 7 0 "[ . 1 . 2]" 1
337 2 7 GLU QB 2 8 ASP H 3.050 2.440 3.660 2.794 2.523 3.641 . 0 0 "[ . 1 . 2]" 1
338 1 7 GLU QB 1 8 ASP H 3.050 2.440 3.660 2.795 2.525 3.640 . 0 0 "[ . 1 . 2]" 1
339 2 29 LYS H 2 29 LYS HB2 2.676 2.141 3.211 2.787 2.194 3.610 0.399 17 0 "[ . 1 . 2]" 1
340 1 29 LYS H 1 29 LYS HB2 2.676 2.141 3.211 2.785 2.185 3.608 0.397 17 0 "[ . 1 . 2]" 1
341 1 14 LEU H 1 15 SER H 3.251 2.789 3.901 2.625 2.246 2.864 0.543 18 1 "[ . 1 . + 2]" 1
342 2 14 LEU H 2 15 SER H 3.251 2.789 3.901 2.624 2.252 2.861 0.537 18 1 "[ . 1 . + 2]" 1
343 2 9 LYS H 2 9 LYS QD 3.994 3.195 4.793 4.025 2.182 4.731 1.013 5 1 "[ + 1 . 2]" 1
344 1 9 LYS H 1 9 LYS QD 3.994 3.195 4.793 4.023 2.185 4.732 1.010 5 1 "[ + 1 . 2]" 1
345 1 4 LYS H 1 4 LYS HA 3.053 2.442 3.664 2.820 2.755 2.884 . 0 0 "[ . 1 . 2]" 1
346 2 4 LYS H 2 4 LYS HA 3.053 2.442 3.664 2.820 2.757 2.881 . 0 0 "[ . 1 . 2]" 1
347 2 25 ALA H 2 25 ALA MB 2.703 2.162 3.244 2.246 2.230 2.286 . 0 0 "[ . 1 . 2]" 1
348 1 25 ALA H 1 25 ALA MB 2.703 2.162 3.244 2.247 2.231 2.283 . 0 0 "[ . 1 . 2]" 1
349 1 14 LEU HB2 1 15 SER H 3.858 3.086 4.630 3.675 2.369 4.152 0.717 7 2 "[ . + 1 . - 2]" 1
350 2 14 LEU HB2 2 15 SER H 3.858 3.086 4.630 3.675 2.368 4.151 0.718 7 2 "[ . + 1 . - 2]" 1
351 1 31 VAL H 1 31 VAL MG2 2.765 2.212 3.318 2.135 2.019 2.377 0.193 11 0 "[ . 1 . 2]" 1
352 2 31 VAL H 2 31 VAL MG2 2.765 2.212 3.318 2.134 2.019 2.374 0.193 11 0 "[ . 1 . 2]" 1
353 1 21 GLU HA 1 24 VAL H 3.343 2.674 4.012 3.227 2.958 3.603 . 0 0 "[ . 1 . 2]" 1
354 2 21 GLU HA 2 24 VAL H 3.343 2.674 4.012 3.225 2.961 3.596 . 0 0 "[ . 1 . 2]" 1
355 2 4 LYS H 2 6 LEU H 3.739 2.991 4.487 4.147 3.735 4.665 0.178 16 0 "[ . 1 . 2]" 1
356 1 4 LYS H 1 6 LEU H 3.739 2.991 4.487 4.147 3.735 4.665 0.178 16 0 "[ . 1 . 2]" 1
357 2 7 GLU H 2 8 ASP H 3.246 2.597 3.895 2.634 2.528 2.753 0.069 3 0 "[ . 1 . 2]" 1
358 1 7 GLU H 1 8 ASP H 3.246 2.597 3.895 2.634 2.523 2.755 0.074 3 0 "[ . 1 . 2]" 1
359 2 32 GLY H 2 32 GLY QA 2.486 . 2.983 2.342 2.217 2.503 . 0 0 "[ . 1 . 2]" 1
360 1 32 GLY H 1 32 GLY QA 2.486 . 2.983 2.342 2.217 2.504 . 0 0 "[ . 1 . 2]" 1
361 1 16 LYS QB 1 17 ASN H 3.267 2.614 3.920 2.563 2.274 3.820 0.340 2 0 "[ . 1 . 2]" 1
362 2 16 LYS QB 2 17 ASN H 3.267 2.614 3.920 2.563 2.276 3.819 0.338 2 0 "[ . 1 . 2]" 1
363 1 21 GLU H 1 21 GLU QB 2.881 2.305 3.457 2.262 2.195 2.398 0.110 8 0 "[ . 1 . 2]" 1
364 2 21 GLU H 2 21 GLU QB 2.881 2.305 3.457 2.262 2.199 2.397 0.106 8 0 "[ . 1 . 2]" 1
365 2 29 LYS H 2 32 GLY H 3.775 2.820 4.730 4.623 4.355 4.942 0.212 7 0 "[ . 1 . 2]" 1
366 1 29 LYS H 1 32 GLY H 3.775 2.820 4.730 4.624 4.368 4.951 0.221 7 0 "[ . 1 . 2]" 1
367 2 16 LYS H 2 16 LYS HA 3.022 2.418 3.626 2.802 2.776 2.831 . 0 0 "[ . 1 . 2]" 1
368 1 16 LYS H 1 16 LYS HA 3.022 2.418 3.626 2.803 2.778 2.831 . 0 0 "[ . 1 . 2]" 1
369 2 23 GLU H 2 23 GLU HA 3.002 2.402 3.602 2.862 2.834 2.884 . 0 0 "[ . 1 . 2]" 1
370 1 23 GLU H 1 23 GLU HA 3.002 2.402 3.602 2.862 2.835 2.883 . 0 0 "[ . 1 . 2]" 1
371 2 14 LEU H 2 14 LEU HA 3.179 2.543 3.815 2.811 2.759 2.904 . 0 0 "[ . 1 . 2]" 1
372 1 14 LEU H 1 14 LEU HA 3.179 2.543 3.815 2.811 2.759 2.902 . 0 0 "[ . 1 . 2]" 1
373 2 7 GLU H 2 7 GLU HA 3.116 2.493 3.739 2.817 2.796 2.844 . 0 0 "[ . 1 . 2]" 1
374 1 7 GLU H 1 7 GLU HA 3.116 2.493 3.739 2.817 2.796 2.845 . 0 0 "[ . 1 . 2]" 1
375 1 24 VAL H 1 27 LEU H 3.893 3.114 4.516 5.055 4.864 5.301 0.785 19 12 "[ ***- **1 ** ** +*]" 1
376 2 24 VAL H 2 27 LEU H 3.893 3.114 4.516 5.055 4.864 5.304 0.788 19 12 "[ ***- **1 ** ** +*]" 1
377 2 9 LYS H 2 12 GLU H 3.563 2.850 4.229 4.487 4.166 4.598 0.369 18 0 "[ . 1 . 2]" 1
378 1 9 LYS H 1 12 GLU H 3.563 2.850 4.229 4.489 4.165 4.594 0.365 18 0 "[ . 1 . 2]" 1
379 2 28 LYS H 2 32 GLY QA 3.240 2.592 3.888 7.387 6.775 8.110 4.222 18 20 [***************-*+**] 1
380 1 3 MET H 1 3 MET QB . 3.044 3.354 2.404 2.129 3.311 0.915 3 17 "[-*+******* **** ***]" 1
381 2 3 MET H 2 3 MET QB . 3.044 3.354 2.403 2.132 3.310 0.912 3 17 "[-*+******* **** ***]" 1
382 1 5 GLN H 1 8 ASP QB 3.574 2.859 4.289 5.034 4.659 5.697 1.408 5 19 "[*-**+****** ********]" 1
383 2 5 GLN H 2 8 ASP QB 3.574 2.859 4.289 5.034 4.665 5.704 1.415 5 19 "[*-**+****** ********]" 1
384 2 12 GLU H 2 13 LEU H 3.126 2.501 3.751 2.909 2.811 2.958 . 0 0 "[ . 1 . 2]" 1
385 1 12 GLU H 1 13 LEU H 3.126 2.501 3.751 2.908 2.813 2.964 . 0 0 "[ . 1 . 2]" 1
386 1 16 LYS H 1 20 LEU H 4.389 3.511 5.267 5.996 5.687 6.305 1.038 6 18 "[*****+ ***-**** ****]" 1
387 2 16 LYS H 2 20 LEU H 4.389 3.511 5.267 5.996 5.687 6.309 1.042 6 18 "[*****+ ***-**** ****]" 1
388 1 27 LEU QB 1 28 LYS H 3.195 2.556 3.834 2.642 2.464 2.937 0.092 17 0 "[ . 1 . 2]" 1
389 2 27 LEU QB 2 28 LYS H 3.195 2.556 3.834 2.642 2.461 2.933 0.095 17 0 "[ . 1 . 2]" 1
390 1 10 VAL QG 1 11 GLU H 3.274 2.619 3.929 2.458 2.074 3.224 0.545 9 3 "[- . +1 . * 2]" 1
391 2 10 VAL QG 2 11 GLU H 3.274 2.619 3.929 2.459 2.076 3.226 0.543 18 3 "[- . *1 . + 2]" 1
392 2 12 GLU H 2 13 LEU QD 4.046 3.237 4.855 4.367 3.901 5.440 0.585 10 1 "[ . + . 2]" 1
393 1 12 GLU H 1 13 LEU QD 4.046 3.237 4.855 4.366 3.902 5.437 0.582 10 1 "[ . + . 2]" 1
394 2 16 LYS H 2 16 LYS QB 2.865 2.466 3.438 2.317 2.163 2.504 0.303 9 0 "[ . 1 . 2]" 1
395 1 16 LYS H 1 16 LYS QB 2.865 2.466 3.438 2.318 2.166 2.505 0.300 9 0 "[ . 1 . 2]" 1
396 2 18 TYR H 2 18 TYR HA 2.992 2.394 3.590 2.818 2.763 2.870 . 0 0 "[ . 1 . 2]" 1
397 1 18 TYR H 1 18 TYR HA 2.992 2.394 3.590 2.818 2.761 2.868 . 0 0 "[ . 1 . 2]" 1
398 2 28 LYS QB 2 29 LYS H 2.706 2.165 3.247 2.624 2.368 3.620 0.373 9 0 "[ . 1 . 2]" 1
399 1 28 LYS QB 1 29 LYS H 2.706 2.165 3.247 2.621 2.368 3.623 0.376 9 0 "[ . 1 . 2]" 1
400 1 20 LEU H 1 21 GLU QB 3.305 2.644 3.966 4.371 4.209 4.887 0.921 17 3 "[ .- * . + 2]" 1
401 2 20 LEU H 2 21 GLU QB 3.305 2.644 3.966 4.369 4.204 4.892 0.926 17 3 "[ .- * . + 2]" 1
402 1 30 LEU QB 1 31 VAL H 3.550 2.840 4.260 2.767 2.622 2.954 0.218 16 0 "[ . 1 . 2]" 1
403 2 30 LEU QB 2 31 VAL H 3.550 2.840 4.260 2.767 2.620 2.947 0.220 16 0 "[ . 1 . 2]" 1
404 2 18 TYR H 2 18 TYR HB2 2.674 2.139 3.209 2.518 2.268 2.731 . 0 0 "[ . 1 . 2]" 1
405 1 18 TYR H 1 18 TYR HB2 2.674 2.139 3.209 2.519 2.268 2.730 . 0 0 "[ . 1 . 2]" 1
406 1 19 HIS QB 1 20 LEU H 3.444 2.755 4.133 2.661 2.325 2.921 0.430 16 0 "[ . 1 . 2]" 1
407 2 19 HIS QB 2 20 LEU H 3.444 2.755 4.133 2.663 2.325 2.924 0.430 16 0 "[ . 1 . 2]" 1
408 1 22 ASN H 1 23 GLU H 3.202 2.690 3.842 2.567 2.431 2.654 0.259 17 0 "[ . 1 . 2]" 1
409 2 22 ASN H 2 23 GLU H 3.202 2.690 3.842 2.564 2.425 2.650 0.265 17 0 "[ . 1 . 2]" 1
410 2 10 VAL H 2 10 VAL HB 3.037 2.430 3.644 2.583 2.482 2.632 . 0 0 "[ . 1 . 2]" 1
411 1 10 VAL H 1 10 VAL HB 3.037 2.430 3.644 2.583 2.480 2.627 . 0 0 "[ . 1 . 2]" 1
412 1 11 GLU H 1 11 GLU QB 3.510 2.808 4.212 2.328 2.207 2.482 0.601 13 10 "[* * . **** + .- **2]" 1
413 2 11 GLU H 2 11 GLU QB 3.510 2.808 4.212 2.328 2.206 2.482 0.602 13 10 "[* * . **** + .- **2]" 1
414 2 21 GLU QB 2 22 ASN H 3.152 2.522 3.782 2.637 2.358 3.075 0.164 3 0 "[ . 1 . 2]" 1
415 1 21 GLU QB 1 22 ASN H 3.152 2.522 3.782 2.636 2.355 3.067 0.167 3 0 "[ . 1 . 2]" 1
416 2 7 GLU H 2 7 GLU QG 3.196 2.557 3.835 2.817 2.165 3.950 0.392 1 0 "[ . 1 . 2]" 1
417 1 7 GLU H 1 7 GLU QG 3.196 2.557 3.835 2.817 2.162 3.949 0.395 1 0 "[ . 1 . 2]" 1
418 2 24 VAL H 2 26 ARG H 3.793 3.034 4.552 4.135 3.821 4.365 . 0 0 "[ . 1 . 2]" 1
419 1 24 VAL H 1 26 ARG H 3.793 3.034 4.552 4.135 3.830 4.364 . 0 0 "[ . 1 . 2]" 1
420 1 24 VAL H 1 24 VAL HA 3.588 2.870 4.306 2.833 2.806 2.853 0.064 1 0 "[ . 1 . 2]" 1
421 2 24 VAL H 2 24 VAL HA 3.588 2.870 4.306 2.833 2.806 2.855 0.064 1 0 "[ . 1 . 2]" 1
422 1 6 LEU H 1 6 LEU HG 3.250 2.600 3.900 4.153 3.624 4.694 0.794 11 6 "[ **. - 1+ * *]" 1
423 2 6 LEU H 2 6 LEU HG 3.250 2.600 3.900 4.152 3.624 4.697 0.797 11 6 "[ **. - 1+ * *]" 1
424 1 19 HIS H 1 21 GLU H 5.251 4.201 6.301 4.011 3.868 4.150 0.333 9 0 "[ . 1 . 2]" 1
425 2 19 HIS H 2 21 GLU H 5.251 4.201 6.301 4.011 3.873 4.153 0.328 9 0 "[ . 1 . 2]" 1
426 1 24 VAL H 1 24 VAL QG 3.137 2.210 4.064 1.968 1.791 2.198 0.419 7 0 "[ . 1 . 2]" 1
427 2 24 VAL H 2 24 VAL QG 3.137 2.210 4.064 1.968 1.790 2.197 0.420 7 0 "[ . 1 . 2]" 1
428 2 10 VAL H 2 13 LEU H 4.520 3.616 5.424 4.900 4.656 5.159 . 0 0 "[ . 1 . 2]" 1
429 1 10 VAL H 1 13 LEU H 4.520 3.616 5.424 4.899 4.653 5.165 . 0 0 "[ . 1 . 2]" 1
430 2 12 GLU H 2 15 SER H 3.676 2.941 4.411 4.707 4.528 5.124 0.713 16 3 "[ . 1 .+- *]" 1
431 1 12 GLU H 1 15 SER H 3.676 2.941 4.411 4.706 4.527 5.113 0.702 16 3 "[ . 1 .+- *]" 1
432 1 2 SER H 1 5 GLN H 4.140 3.312 4.968 5.212 3.378 7.449 2.481 11 6 "[ - . * 1+ .** *]" 1
433 2 2 SER H 2 5 GLN H 4.140 3.312 4.968 5.213 3.381 7.460 2.492 11 6 "[ - . * 1+ .** *]" 1
434 2 22 ASN H 2 23 GLU QG 3.227 2.582 3.872 5.091 3.857 6.251 2.379 5 11 "[ ***+ *-*1* * * *]" 1
435 1 22 ASN H 1 23 GLU QG 3.227 2.582 3.872 5.093 3.864 6.254 2.382 5 11 "[ ***+ *-*1* * * *]" 1
436 2 26 ARG H 2 26 ARG QB 3.201 2.561 3.841 2.497 2.098 2.870 0.463 14 0 "[ . 1 . 2]" 1
437 1 26 ARG H 1 26 ARG QB 3.201 2.561 3.841 2.496 2.095 2.868 0.466 14 0 "[ . 1 . 2]" 1
438 1 19 HIS H 1 19 HIS QB 2.876 2.301 3.451 2.372 2.235 2.498 0.066 3 0 "[ . 1 . 2]" 1
439 2 19 HIS H 2 19 HIS QB 2.876 2.301 3.451 2.371 2.236 2.491 0.065 3 0 "[ . 1 . 2]" 1
440 1 2 SER H 1 3 MET H 3.322 2.658 3.986 2.427 2.200 2.884 0.458 1 0 "[ . 1 . 2]" 1
441 2 2 SER H 2 3 MET H 3.322 2.658 3.986 2.429 2.202 2.880 0.456 1 0 "[ . 1 . 2]" 1
442 2 12 GLU H 2 12 GLU QB 2.664 2.131 3.197 2.267 2.185 2.395 . 0 0 "[ . 1 . 2]" 1
443 1 12 GLU H 1 12 GLU QB 2.664 2.131 3.197 2.267 2.184 2.392 . 0 0 "[ . 1 . 2]" 1
444 2 24 VAL HB 2 25 ALA H 3.106 2.485 3.727 2.798 2.578 4.162 0.435 7 0 "[ . 1 . 2]" 1
445 1 24 VAL HB 1 25 ALA H 3.106 2.485 3.727 2.798 2.586 4.159 0.432 7 0 "[ . 1 . 2]" 1
446 1 28 LYS H 1 28 LYS QB 2.696 2.157 3.235 2.308 2.178 2.752 . 0 0 "[ . 1 . 2]" 1
447 2 28 LYS H 2 28 LYS QB 2.696 2.157 3.235 2.309 2.179 2.751 . 0 0 "[ . 1 . 2]" 1
448 2 8 ASP H 2 8 ASP HA 3.257 2.606 3.908 2.856 2.802 2.883 . 0 0 "[ . 1 . 2]" 1
449 1 8 ASP H 1 8 ASP HA 3.257 2.606 3.908 2.855 2.803 2.884 . 0 0 "[ . 1 . 2]" 1
450 1 19 HIS H 1 19 HIS HA 3.034 2.427 3.641 2.837 2.795 2.868 . 0 0 "[ . 1 . 2]" 1
451 2 19 HIS H 2 19 HIS HA 3.034 2.427 3.641 2.837 2.794 2.871 . 0 0 "[ . 1 . 2]" 1
452 1 25 ALA H 1 28 LYS QB 4.690 3.752 5.628 4.823 4.473 6.235 0.607 9 1 "[ . +1 . 2]" 1
453 2 25 ALA H 2 28 LYS QB 4.690 3.752 5.628 4.822 4.471 6.235 0.607 9 1 "[ . +1 . 2]" 1
454 2 8 ASP H 2 9 LYS H 2.978 2.382 3.574 2.502 2.381 2.709 0.001 9 0 "[ . 1 . 2]" 1
455 1 8 ASP H 1 9 LYS H 2.978 2.382 3.574 2.501 2.379 2.706 0.003 9 0 "[ . 1 . 2]" 1
456 2 26 ARG QB 2 27 LEU H 3.277 2.622 3.932 3.111 2.234 3.347 0.388 19 0 "[ . 1 . 2]" 1
457 1 26 ARG QB 1 27 LEU H 3.277 2.622 3.932 3.110 2.237 3.346 0.385 19 0 "[ . 1 . 2]" 1
458 1 30 LEU H 1 30 LEU HA 2.983 2.386 3.580 2.854 2.810 2.893 . 0 0 "[ . 1 . 2]" 1
459 2 30 LEU H 2 30 LEU HA 2.983 2.386 3.580 2.854 2.807 2.891 . 0 0 "[ . 1 . 2]" 1
460 1 23 GLU H 1 23 GLU QG 2.769 2.215 3.323 3.113 2.174 4.039 0.716 5 8 "[ ** + - *1 * * *]" 1
461 2 23 GLU H 2 23 GLU QG 2.769 2.215 3.323 3.114 2.169 4.044 0.721 5 8 "[ ** + * -1 * * *]" 1
462 2 17 ASN H 2 18 TYR H 3.361 2.689 3.455 2.677 2.456 3.012 0.233 12 0 "[ . 1 . 2]" 1
463 1 17 ASN H 1 18 TYR H 3.361 2.689 3.455 2.676 2.454 3.009 0.235 12 0 "[ . 1 . 2]" 1
464 2 17 ASN H 2 17 ASN HA 3.671 2.937 4.405 2.815 2.749 2.885 0.188 8 0 "[ . 1 . 2]" 1
465 1 17 ASN H 1 17 ASN HA 3.671 2.937 4.405 2.816 2.749 2.884 0.188 19 0 "[ . 1 . 2]" 1
466 1 14 LEU HB3 1 15 SER H 3.271 2.617 3.925 2.886 2.551 4.213 0.288 18 0 "[ . 1 . 2]" 1
467 2 14 LEU HB3 2 15 SER H 3.271 2.617 3.925 2.887 2.547 4.215 0.290 18 0 "[ . 1 . 2]" 1
468 1 25 ALA HA 1 28 LYS H 3.474 2.779 4.169 3.449 3.230 3.717 . 0 0 "[ . 1 . 2]" 1
469 2 25 ALA HA 2 28 LYS H 3.474 2.779 4.169 3.449 3.228 3.720 . 0 0 "[ . 1 . 2]" 1
470 1 2 SER H 1 2 SER HA 2.684 2.147 3.221 2.721 2.292 2.946 . 0 0 "[ . 1 . 2]" 1
471 2 2 SER H 2 2 SER HA 2.684 2.147 3.221 2.721 2.292 2.946 . 0 0 "[ . 1 . 2]" 1
472 1 15 SER H 1 15 SER QB 3.144 2.515 3.773 2.487 2.239 2.810 0.276 18 0 "[ . 1 . 2]" 1
473 2 15 SER H 2 15 SER QB 3.144 2.515 3.773 2.485 2.237 2.814 0.278 10 0 "[ . 1 . 2]" 1
474 1 23 GLU H 1 25 ALA H 2.942 2.354 3.530 3.879 3.847 3.925 0.395 6 0 "[ . 1 . 2]" 1
475 2 23 GLU H 2 25 ALA H 2.942 2.354 3.530 3.879 3.846 3.921 0.391 6 0 "[ . 1 . 2]" 1
476 1 29 LYS H 1 29 LYS QD 3.944 3.155 4.733 3.498 2.129 4.477 1.026 1 3 "[+ . 1 - * 2]" 1
477 2 29 LYS H 2 29 LYS QD 3.944 3.155 4.733 3.499 2.127 4.482 1.028 1 3 "[+ . 1 - * 2]" 1
478 1 3 MET HA 1 7 GLU H 3.876 3.101 4.651 4.179 2.517 5.561 0.910 17 3 "[ . 1 .*+ -2]" 1
479 2 3 MET HA 2 7 GLU H 3.876 3.101 4.651 4.177 2.511 5.566 0.915 17 3 "[ . 1 .*+ -2]" 1
480 2 14 LEU H 2 14 LEU HG 4.000 3.200 4.800 4.063 2.128 4.579 1.072 18 3 "[ . - 1* . + 2]" 1
481 1 14 LEU H 1 14 LEU HG 4.000 3.200 4.800 4.063 2.128 4.581 1.072 18 3 "[ . - 1* . + 2]" 1
482 1 16 LYS H 1 16 LYS HG2 3.801 3.041 4.561 3.833 2.294 4.578 0.747 16 2 "[ . 1 .+ - 2]" 1
483 2 16 LYS H 2 16 LYS HG2 3.801 3.041 4.561 3.832 2.290 4.577 0.751 16 2 "[ . 1 .+ - 2]" 1
484 1 16 LYS H 1 16 LYS QD 4.766 3.813 5.719 4.146 3.653 4.592 0.160 11 0 "[ . 1 . 2]" 1
485 2 16 LYS H 2 16 LYS QD 4.766 3.813 5.719 4.145 3.647 4.597 0.166 11 0 "[ . 1 . 2]" 1
486 2 2 SER H 2 3 MET HA 4.627 3.702 5.552 4.805 4.063 5.146 . 0 0 "[ . 1 . 2]" 1
487 1 2 SER H 1 3 MET HA 4.627 3.702 5.552 4.804 4.069 5.145 . 0 0 "[ . 1 . 2]" 1
488 1 5 GLN QG 1 6 LEU H 2.936 2.349 3.523 4.144 3.765 4.557 1.034 12 14 "[ *-. * ***+*** ****]" 1
489 2 5 GLN QG 2 6 LEU H 2.936 2.349 3.523 4.145 3.767 4.556 1.033 12 14 "[ *-. * ***+*** ****]" 1
490 1 24 VAL H 1 25 ALA MB 5.033 4.026 6.040 4.262 4.173 4.370 . 0 0 "[ . 1 . 2]" 1
491 2 24 VAL H 2 25 ALA MB 5.033 4.026 6.040 4.263 4.175 4.370 . 0 0 "[ . 1 . 2]" 1
492 1 12 GLU H 1 14 LEU H 3.849 3.079 4.619 3.984 3.708 4.292 . 0 0 "[ . 1 . 2]" 1
493 2 12 GLU H 2 14 LEU H 3.849 3.079 4.619 3.984 3.713 4.288 . 0 0 "[ . 1 . 2]" 1
494 1 2 SER HA 1 6 LEU H 4.025 3.220 4.830 4.503 3.710 5.185 0.355 6 0 "[ . 1 . 2]" 1
495 2 2 SER HA 2 6 LEU H 4.025 3.220 4.830 4.502 3.701 5.188 0.358 6 0 "[ . 1 . 2]" 1
496 1 3 MET H 1 3 MET HG2 3.874 3.099 4.649 3.799 2.351 4.593 0.748 4 3 "[ * +. 1 - . 2]" 1
497 2 3 MET H 2 3 MET HG2 3.874 3.099 4.649 3.800 2.359 4.594 0.740 4 3 "[ * +. 1 - . 2]" 1
498 1 5 GLN QB 1 6 LEU HA 3.815 3.052 4.578 3.872 3.716 3.956 . 0 0 "[ . 1 . 2]" 1
499 2 5 GLN QB 2 6 LEU HA 3.815 3.052 4.578 3.873 3.716 3.960 . 0 0 "[ . 1 . 2]" 1
500 2 17 ASN HA 2 20 LEU QD 4.163 3.330 4.996 3.290 2.379 4.864 0.951 6 5 "[* -.+ 1 * . * 2]" 1
501 1 17 ASN HA 1 20 LEU QD 4.163 3.330 4.996 3.288 2.379 4.861 0.951 6 5 "[* -.+ 1 * . * 2]" 1
502 1 6 LEU HA 1 6 LEU QD 4.570 3.656 5.484 2.047 1.863 2.831 1.793 10 20 [*********+******-***] 1
503 2 6 LEU HA 2 6 LEU QD 4.570 3.656 5.484 2.047 1.862 2.834 1.794 10 20 [*********+******-***] 1
504 2 27 LEU HA 2 30 LEU QB 4.687 3.750 5.624 2.289 2.012 2.643 1.738 3 20 [**+*****-***********] 1
505 1 27 LEU HA 1 30 LEU QB 4.687 3.750 5.624 2.289 2.016 2.649 1.734 3 20 [**+*****-***********] 1
506 2 3 MET QB 2 4 LYS HA 3.428 2.742 4.114 4.074 3.832 4.325 0.211 16 0 "[ . 1 . 2]" 1
507 1 3 MET QB 1 4 LYS HA 3.428 2.742 4.114 4.074 3.834 4.324 0.210 16 0 "[ . 1 . 2]" 1
508 1 17 ASN HA 2 17 ASN QB 5.374 4.299 6.449 3.688 2.564 7.068 1.735 14 14 "[****** *-*** +** 2]" 1
509 1 17 ASN QB 2 17 ASN HA 5.374 4.299 6.449 3.689 2.582 7.073 1.717 14 14 "[****** *-*** +** 2]" 1
510 2 11 GLU QB 2 12 GLU HA 4.737 3.790 5.684 4.062 3.930 4.211 . 0 0 "[ . 1 . 2]" 1
511 1 11 GLU QB 1 12 GLU HA 4.737 3.790 5.684 4.062 3.931 4.217 . 0 0 "[ . 1 . 2]" 1
512 1 20 LEU QB 2 20 LEU HA 4.202 3.362 5.042 5.389 4.140 7.840 2.798 17 11 "[** *. * *1*** - + *2]" 1
513 2 26 ARG HA 2 26 ARG QG 4.079 3.263 4.895 3.257 2.597 3.518 0.666 19 2 "[ . -1 . +2]" 1
514 1 26 ARG HA 1 26 ARG QG 4.079 3.263 4.895 3.257 2.596 3.518 0.667 19 2 "[ . -1 . +2]" 1
515 1 13 LEU HA 1 17 ASN QB 3.760 3.008 4.512 5.145 4.447 6.582 2.070 16 12 "[* ***- 1****.+ * *]" 1
516 2 13 LEU HA 2 17 ASN QB 3.760 3.008 4.512 5.145 4.450 6.578 2.066 16 12 "[* ***- 1****.+ * *]" 1
517 2 27 LEU QB 2 28 LYS HA 4.074 3.259 4.889 3.887 3.732 4.064 . 0 0 "[ . 1 . 2]" 1
518 1 27 LEU QB 1 28 LYS HA 4.074 3.259 4.889 3.886 3.734 4.064 . 0 0 "[ . 1 . 2]" 1
519 1 10 VAL HA 1 13 LEU QB 5.230 4.184 6.276 3.132 2.434 3.827 1.750 7 19 "[*** **+*-***********]" 1
520 2 10 VAL HA 2 13 LEU QB 5.230 4.184 6.276 3.133 2.435 3.823 1.749 7 19 "[*** **+*********-***]" 1
521 2 8 ASP QB 2 12 GLU QG 3.578 2.862 4.294 5.036 3.131 5.890 1.596 12 15 "[****** ****+-** * 2]" 1
522 1 8 ASP QB 1 12 GLU QG 3.578 2.862 4.294 5.035 3.128 5.889 1.595 12 15 "[****** ****+-** * 2]" 1
523 1 13 LEU QB 2 13 LEU HG 4.568 3.654 5.482 4.959 4.036 6.484 1.002 16 2 "[ . 1- .+ 2]" 1
524 1 13 LEU HG 2 13 LEU QB 4.568 3.654 5.482 4.959 4.028 6.484 1.002 16 2 "[ . 1- .+ 2]" 1
525 1 3 MET HA 1 3 MET HG2 4.232 3.386 5.078 3.183 2.419 3.817 0.967 1 7 "[+ . * ** - . * *]" 1
526 2 3 MET HA 2 3 MET HG2 4.232 3.386 5.078 3.184 2.420 3.815 0.966 1 7 "[+ . * ** - . * *]" 1
527 2 4 LYS HA 2 4 LYS QD 5.502 4.402 6.602 3.482 1.948 4.257 2.454 7 6 "[ * * +- 1* . *]" 1
528 1 4 LYS HA 1 4 LYS QD 5.502 4.402 6.602 3.482 1.949 4.255 2.453 7 6 "[ * * +- 1* . *]" 1
529 1 26 ARG QB 1 27 LEU HG 3.943 3.154 4.732 4.509 3.107 5.776 1.044 1 5 "[+- * 1 * *]" 1
530 2 26 ARG QB 2 27 LEU HG 3.943 3.154 4.732 4.510 3.113 5.777 1.045 1 5 "[+- * 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 66
_Distance_constraint_stats_list.Viol_count 121
_Distance_constraint_stats_list.Viol_total 209.296
_Distance_constraint_stats_list.Viol_max 1.396
_Distance_constraint_stats_list.Viol_rms 0.0669
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0865
_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 2 SER 0.370 0.188 11 0 "[ . 1 . 2]"
1 3 MET 0.250 0.107 11 0 "[ . 1 . 2]"
1 5 GLN 0.072 0.037 16 0 "[ . 1 . 2]"
1 6 LEU 0.370 0.188 11 0 "[ . 1 . 2]"
1 7 GLU 0.378 0.107 11 0 "[ . 1 . 2]"
1 9 LYS 0.072 0.037 16 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.288 0.160 16 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.160 0.160 16 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TYR 3.131 1.396 12 2 "[ . 1 + . -]"
1 19 HIS 0.442 0.087 12 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.020 0.020 19 0 "[ . 1 . 2]"
1 22 ASN 3.239 1.396 12 2 "[ . 1 + . -]"
1 23 GLU 0.974 0.087 12 0 "[ . 1 . 2]"
1 24 VAL 0.021 0.015 14 0 "[ . 1 . 2]"
1 25 ALA 0.020 0.020 19 0 "[ . 1 . 2]"
1 26 ARG 0.108 0.047 9 0 "[ . 1 . 2]"
1 27 LEU 0.532 0.074 9 0 "[ . 1 . 2]"
1 28 LYS 0.021 0.015 14 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 SER 0.378 0.189 11 0 "[ . 1 . 2]"
2 3 MET 0.286 0.119 11 0 "[ . 1 . 2]"
2 5 GLN 0.074 0.038 3 0 "[ . 1 . 2]"
2 6 LEU 0.378 0.189 11 0 "[ . 1 . 2]"
2 7 GLU 0.407 0.119 11 0 "[ . 1 . 2]"
2 9 LYS 0.074 0.038 3 0 "[ . 1 . 2]"
2 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 GLU 0.284 0.162 16 0 "[ . 1 . 2]"
2 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 SER 0.162 0.162 16 0 "[ . 1 . 2]"
2 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 TYR 3.100 1.396 12 2 "[ . 1 + . -]"
2 19 HIS 0.440 0.076 4 0 "[ . 1 . 2]"
2 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLU 0.019 0.019 19 0 "[ . 1 . 2]"
2 22 ASN 3.215 1.396 12 2 "[ . 1 + . -]"
2 23 GLU 0.953 0.076 4 0 "[ . 1 . 2]"
2 24 VAL 0.021 0.021 14 0 "[ . 1 . 2]"
2 25 ALA 0.019 0.019 19 0 "[ . 1 . 2]"
2 26 ARG 0.116 0.039 9 0 "[ . 1 . 2]"
2 27 LEU 0.513 0.072 19 0 "[ . 1 . 2]"
2 28 LYS 0.021 0.021 14 0 "[ . 1 . 2]"
2 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 VAL 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 27 LEU O 1 31 VAL H 2.000 . 2.500 1.933 1.826 2.106 . 0 0 "[ . 1 . 2]" 2
2 2 27 LEU O 2 31 VAL H 2.000 . 2.500 1.932 1.826 2.101 . 0 0 "[ . 1 . 2]" 2
3 1 26 ARG O 1 30 LEU H 2.000 . 2.800 2.456 2.195 2.568 . 0 0 "[ . 1 . 2]" 2
4 2 26 ARG O 2 30 LEU H 2.000 . 2.800 2.453 2.185 2.559 . 0 0 "[ . 1 . 2]" 2
5 1 24 VAL O 1 28 LYS H 2.000 . 2.500 2.080 1.844 2.515 0.015 14 0 "[ . 1 . 2]" 2
6 2 24 VAL O 2 28 LYS H 2.000 . 2.500 2.079 1.844 2.521 0.021 14 0 "[ . 1 . 2]" 2
7 1 23 GLU O 1 27 LEU H 2.000 . 2.500 2.400 1.941 2.574 0.074 9 0 "[ . 1 . 2]" 2
8 2 23 GLU O 2 27 LEU H 2.000 . 2.500 2.400 1.938 2.572 0.072 19 0 "[ . 1 . 2]" 2
9 2 22 ASN O 2 26 ARG H 2.000 . 2.500 2.391 2.108 2.539 0.039 9 0 "[ . 1 . 2]" 2
10 1 22 ASN O 1 26 ARG H 2.000 . 2.500 2.388 2.092 2.547 0.047 9 0 "[ . 1 . 2]" 2
11 2 21 GLU O 2 25 ALA H 2.000 . 2.500 2.206 1.945 2.519 0.019 19 0 "[ . 1 . 2]" 2
12 1 21 GLU O 1 25 ALA H 2.000 . 2.500 2.208 1.947 2.520 0.020 19 0 "[ . 1 . 2]" 2
13 1 20 LEU O 1 24 VAL H 2.000 . 2.500 2.176 1.867 2.420 . 0 0 "[ . 1 . 2]" 2
14 2 20 LEU O 2 24 VAL H 2.000 . 2.500 2.176 1.865 2.423 . 0 0 "[ . 1 . 2]" 2
15 2 19 HIS O 2 23 GLU H 2.000 . 2.500 2.460 2.262 2.576 0.076 4 0 "[ . 1 . 2]" 2
16 1 19 HIS O 1 23 GLU H 2.000 . 2.500 2.457 2.254 2.587 0.087 12 0 "[ . 1 . 2]" 2
17 2 16 LYS O 2 20 LEU H 2.000 . 2.500 2.012 1.769 2.439 . 0 0 "[ . 1 . 2]" 2
18 1 16 LYS O 1 20 LEU H 2.000 . 2.500 2.012 1.768 2.464 . 0 0 "[ . 1 . 2]" 2
19 1 11 GLU O 1 15 SER H 2.000 . 2.500 2.045 1.769 2.660 0.160 16 0 "[ . 1 . 2]" 2
20 2 11 GLU O 2 15 SER H 2.000 . 2.500 2.044 1.773 2.662 0.162 16 0 "[ . 1 . 2]" 2
21 1 9 LYS O 1 13 LEU H 2.000 . 2.500 2.094 1.830 2.494 . 0 0 "[ . 1 . 2]" 2
22 2 9 LYS O 2 13 LEU H 2.000 . 2.500 2.094 1.830 2.496 . 0 0 "[ . 1 . 2]" 2
23 1 7 GLU O 1 11 GLU H 2.000 . 2.500 2.294 1.824 2.540 0.040 17 0 "[ . 1 . 2]" 2
24 2 7 GLU O 2 11 GLU H 2.000 . 2.500 2.294 1.829 2.539 0.039 17 0 "[ . 1 . 2]" 2
25 1 6 LEU O 1 10 VAL H 2.000 . 2.500 2.082 1.733 2.499 . 0 0 "[ . 1 . 2]" 2
26 2 6 LEU O 2 10 VAL H 2.000 . 2.500 2.082 1.732 2.497 . 0 0 "[ . 1 . 2]" 2
27 2 5 GLN O 2 9 LYS H 2.000 . 2.500 2.243 1.949 2.538 0.038 3 0 "[ . 1 . 2]" 2
28 1 5 GLN O 1 9 LYS H 2.000 . 2.500 2.238 1.948 2.537 0.037 16 0 "[ . 1 . 2]" 2
29 2 3 MET O 2 7 GLU H 2.000 . 2.500 2.125 1.857 2.619 0.119 11 0 "[ . 1 . 2]" 2
30 1 3 MET O 1 7 GLU H 2.000 . 2.500 2.124 1.861 2.607 0.107 11 0 "[ . 1 . 2]" 2
31 1 2 SER O 1 6 LEU H 2.000 . 2.500 2.234 1.807 2.688 0.188 11 0 "[ . 1 . 2]" 2
32 2 2 SER O 2 6 LEU H 2.000 . 2.500 2.234 1.808 2.689 0.189 11 0 "[ . 1 . 2]" 2
33 2 18 TYR O 2 22 ASN ND2 3.000 2.500 3.500 3.336 2.688 4.896 1.396 12 2 "[ . 1 + . -]" 2
34 1 18 TYR O 1 22 ASN ND2 3.000 2.500 3.500 3.337 2.688 4.896 1.396 12 2 "[ . 1 + . -]" 2
35 1 27 LEU O 1 31 VAL N 3.000 2.500 3.500 2.814 2.746 2.890 . 0 0 "[ . 1 . 2]" 2
36 2 27 LEU O 2 31 VAL N 3.000 2.500 3.500 2.814 2.747 2.889 . 0 0 "[ . 1 . 2]" 2
37 1 26 ARG O 1 30 LEU N 3.000 2.500 3.500 3.279 2.990 3.416 . 0 0 "[ . 1 . 2]" 2
38 2 26 ARG O 2 30 LEU N 3.000 2.500 3.500 3.278 2.991 3.412 . 0 0 "[ . 1 . 2]" 2
39 1 24 VAL O 1 28 LYS N 3.000 2.500 3.500 2.998 2.801 3.360 . 0 0 "[ . 1 . 2]" 2
40 2 24 VAL O 2 28 LYS N 3.000 2.500 3.500 2.998 2.801 3.356 . 0 0 "[ . 1 . 2]" 2
41 1 23 GLU O 1 27 LEU N 3.000 2.500 3.500 3.356 2.913 3.526 0.026 15 0 "[ . 1 . 2]" 2
42 2 23 GLU O 2 27 LEU N 3.000 2.500 3.500 3.356 2.911 3.523 0.023 19 0 "[ . 1 . 2]" 2
43 2 22 ASN O 2 26 ARG N 3.000 2.500 3.500 3.221 2.890 3.442 . 0 0 "[ . 1 . 2]" 2
44 1 22 ASN O 1 26 ARG N 3.000 2.500 3.500 3.219 2.880 3.435 . 0 0 "[ . 1 . 2]" 2
45 2 21 GLU O 2 25 ALA N 3.000 2.500 3.500 3.105 2.850 3.373 . 0 0 "[ . 1 . 2]" 2
46 1 21 GLU O 1 25 ALA N 3.000 2.500 3.500 3.106 2.851 3.375 . 0 0 "[ . 1 . 2]" 2
47 1 20 LEU O 1 24 VAL N 3.000 2.500 3.500 3.058 2.770 3.294 . 0 0 "[ . 1 . 2]" 2
48 2 20 LEU O 2 24 VAL N 3.000 2.500 3.500 3.058 2.766 3.297 . 0 0 "[ . 1 . 2]" 2
49 2 19 HIS O 2 23 GLU N 3.000 2.500 3.500 3.171 2.940 3.343 . 0 0 "[ . 1 . 2]" 2
50 1 19 HIS O 1 23 GLU N 3.000 2.500 3.500 3.169 2.928 3.344 . 0 0 "[ . 1 . 2]" 2
51 2 16 LYS O 2 20 LEU N 3.000 2.500 3.500 2.917 2.687 3.232 . 0 0 "[ . 1 . 2]" 2
52 1 16 LYS O 1 20 LEU N 3.000 2.500 3.500 2.918 2.688 3.249 . 0 0 "[ . 1 . 2]" 2
53 1 11 GLU O 1 15 SER N 3.000 2.500 3.500 2.924 2.730 3.310 . 0 0 "[ . 1 . 2]" 2
54 2 11 GLU O 2 15 SER N 3.000 2.500 3.500 2.923 2.731 3.307 . 0 0 "[ . 1 . 2]" 2
55 1 9 LYS O 1 13 LEU N 3.000 2.500 3.500 3.059 2.818 3.445 . 0 0 "[ . 1 . 2]" 2
56 2 9 LYS O 2 13 LEU N 3.000 2.500 3.500 3.059 2.817 3.447 . 0 0 "[ . 1 . 2]" 2
57 1 7 GLU O 1 11 GLU N 3.000 2.500 3.500 3.197 2.771 3.438 . 0 0 "[ . 1 . 2]" 2
58 2 7 GLU O 2 11 GLU N 3.000 2.500 3.500 3.197 2.775 3.447 . 0 0 "[ . 1 . 2]" 2
59 1 6 LEU O 1 10 VAL N 3.000 2.500 3.500 3.034 2.698 3.455 . 0 0 "[ . 1 . 2]" 2
60 2 6 LEU O 2 10 VAL N 3.000 2.500 3.500 3.034 2.697 3.452 . 0 0 "[ . 1 . 2]" 2
61 2 5 GLN O 2 9 LYS N 3.000 2.500 3.500 3.026 2.756 3.290 . 0 0 "[ . 1 . 2]" 2
62 1 5 GLN O 1 9 LYS N 3.000 2.500 3.500 3.025 2.755 3.283 . 0 0 "[ . 1 . 2]" 2
63 2 3 MET O 2 7 GLU N 3.000 2.500 3.500 3.027 2.796 3.506 0.006 16 0 "[ . 1 . 2]" 2
64 1 3 MET O 1 7 GLU N 3.000 2.500 3.500 3.027 2.792 3.503 0.003 16 0 "[ . 1 . 2]" 2
65 1 2 SER O 1 6 LEU N 3.000 2.500 3.500 3.115 2.746 3.459 . 0 0 "[ . 1 . 2]" 2
66 2 2 SER O 2 6 LEU N 3.000 2.500 3.500 3.115 2.747 3.458 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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