NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482006 |
1iio   |
4996 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iio
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 517
_Distance_constraint_stats_list.Viol_count 2720
_Distance_constraint_stats_list.Viol_total 151426.547
_Distance_constraint_stats_list.Viol_max 8.587
_Distance_constraint_stats_list.Viol_rms 1.3089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4686
_Distance_constraint_stats_list.Viol_average_violations_only 2.2269
_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 8 VAL 0.389 0.195 22 0 "[ . 1 . 2 .]"
1 9 LYS 0.389 0.195 22 0 "[ . 1 . 2 .]"
1 10 GLU 41.507 1.297 3 25 [**+******-***************]
1 11 ASP 79.422 3.282 5 25 [****+**************-*****]
1 12 ILE 91.316 2.886 20 25 [*********-*********+*****]
1 13 ARG 115.587 3.391 25 25 [***************-********+]
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 ILE 5.625 0.316 24 0 "[ . 1 . 2 .]"
1 17 ILE 428.045 6.053 22 25 [*********************+*-*]
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 LEU 155.843 2.939 11 25 [***-******+**************]
1 21 ALA 57.578 1.299 16 25 [***************+-********]
1 22 GLY 28.952 1.330 10 23 "[*********+******** 2***-*]"
1 23 ALA 259.293 3.957 14 25 [*************+**-********]
1 24 ASP 85.228 2.205 25 25 [***********-************+]
1 25 PHE 16.484 0.904 7 12 "[ * *.*+ * * . ***- **]"
1 26 PRO 236.890 5.154 10 25 [*-*******+***************]
1 27 ILE 175.968 6.676 10 25 [*********+***********-***]
1 28 ASN 312.039 5.405 11 25 [-*********+**************]
1 29 SER 321.094 5.336 2 25 [*+*******************-***]
1 30 PRO 208.573 5.066 24 25 [*********-*************+*]
1 31 GLU 19.847 0.862 24 25 [****-******************+*]
1 32 GLU 679.562 6.676 10 25 [*********+***************]
1 33 LEU 0.025 0.016 7 0 "[ . 1 . 2 .]"
1 34 MET 134.745 6.365 23 25 [********-*************+**]
1 35 ALA 20.309 0.713 4 24 [***+*****-*********2*****]
1 36 ALA 160.796 3.957 14 25 [***********-*+***********]
1 37 LEU 222.661 4.239 19 25 [******************+***-**]
1 39 ASN 137.723 3.571 19 25 [*******-**********+******]
1 40 GLY 140.869 4.028 15 25 [**************+*******-**]
1 42 ASP 207.118 6.365 23 25 [******************-***+**]
1 43 THR 222.757 4.239 19 25 [*******-**********+******]
1 44 THR 843.822 8.587 21 25 [******************-*+****]
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 LYS 543.633 7.826 21 25 [*****-**************+****]
1 47 SER 217.301 5.109 4 25 [***+********-************]
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 ASP 15.625 1.285 4 10 "[ * +. * 1** *. -2* **.]"
1 50 VAL 231.407 5.841 4 25 [***+-********************]
1 51 GLU 792.036 8.587 21 25 [****-***************+****]
1 52 LEU 440.567 7.445 14 25 [*************+****-******]
1 53 LYS 109.875 2.193 6 25 [*****+*******************]
1 54 ALA 163.052 4.119 6 25 [*****+************-******]
1 55 SER 272.874 5.066 24 25 [*********-*************+*]
1 56 ASP 32.842 1.667 14 25 [************-+***********]
1 57 ALA 25.768 1.405 19 25 [*****-************+******]
1 58 GLY 39.055 1.685 15 25 [************-*+**********]
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 LEU 104.420 4.435 8 25 [*******+*******-*********]
1 62 THR 228.574 5.762 12 25 [***********+-************]
1 63 ALA 12.779 0.548 16 22 "[ ******-******+********.]"
1 64 ASP 33.622 1.459 1 25 [+*******-****************]
1 65 ASP 525.600 5.762 12 25 [***********+-************]
1 66 PHE 83.186 3.282 5 25 [****+**************-*****]
1 67 PRO 66.789 2.996 15 25 [-*************+**********]
1 68 PHE 558.888 6.121 2 25 [*+*-*********************]
1 69 LYS 208.869 4.753 13 25 [***-********+************]
1 70 SER 462.258 5.154 10 25 [*****-***+***************]
1 71 ALA 200.197 6.053 22 25 [*****************-***+***]
1 72 GLU 364.581 5.189 22 25 [*********************+*-*]
1 73 GLU 658.228 6.121 2 25 [*+****************-******]
1 74 VAL 260.597 5.366 20 25 [*****************-*+*****]
1 75 ALA 48.232 2.380 22 25 [**-******************+***]
1 76 ASP 60.231 1.859 15 25 [***********-**+**********]
1 77 THR 16.125 0.847 15 22 "[******* *****+***-**** *]"
1 78 ILE 1.114 0.104 13 0 "[ . 1 . 2 .]"
1 79 VAL 297.106 4.454 22 25 [***********-*********+***]
1 80 ASN 0.034 0.027 23 0 "[ . 1 . 2 .]"
1 81 LYS 6.761 0.350 22 0 "[ . 1 . 2 .]"
1 82 ALA 5.902 0.350 22 0 "[ . 1 . 2 .]"
1 83 GLY 0.859 0.127 24 0 "[ . 1 . 2 .]"
1 84 LEU 82.497 4.454 22 25 [*********************+***]
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 53 LYS QB 1 54 ALA H 3.100 . 4.300 2.987 2.875 3.125 . 0 0 "[ . 1 . 2 .]" 1
2 1 53 LYS H 1 53 LYS QB 3.300 . 4.600 2.676 2.595 2.714 . 0 0 "[ . 1 . 2 .]" 1
3 1 44 THR MG 1 54 ALA H 5.200 . 6.000 7.629 6.876 8.227 2.227 6 25 [*****+************-******] 1
4 1 82 ALA H 1 83 GLY H 2.700 . 3.600 2.583 2.463 2.617 . 0 0 "[ . 1 . 2 .]" 1
5 1 83 GLY H 1 84 LEU H 2.700 . 3.600 2.688 2.623 3.274 . 0 0 "[ . 1 . 2 .]" 1
6 1 82 ALA HA 1 83 GLY H 3.500 . 5.000 3.532 3.507 3.545 . 0 0 "[ . 1 . 2 .]" 1
7 1 81 LYS HA 1 83 GLY H 3.300 . 4.700 4.725 4.651 4.827 0.127 24 0 "[ . 1 . 2 .]" 1
8 1 81 LYS QB 1 83 GLY H 5.100 . 6.000 4.525 4.373 4.632 . 0 0 "[ . 1 . 2 .]" 1
9 1 44 THR MG 1 51 GLU H 3.700 . 5.400 12.837 11.915 13.414 8.014 21 25 [****-***************+****] 1
10 1 17 ILE HB 1 18 GLY H 2.600 . 3.400 2.560 2.473 2.641 . 0 0 "[ . 1 . 2 .]" 1
11 1 17 ILE MG 1 18 GLY H 3.000 . 4.200 3.383 3.246 3.501 . 0 0 "[ . 1 . 2 .]" 1
12 1 17 ILE QG 1 18 GLY H 5.600 . 6.000 4.026 3.968 4.119 . 0 0 "[ . 1 . 2 .]" 1
13 1 46 LYS HA 1 52 LEU H 3.300 . 4.700 8.994 8.694 9.359 4.659 21 25 [******************-*+****] 1
14 1 44 THR HA 1 52 LEU H 3.700 . 5.500 12.430 11.242 12.945 7.445 14 25 [*************+****-******] 1
15 1 51 GLU HA 1 52 LEU H 2.000 . 2.500 2.206 2.162 2.259 . 0 0 "[ . 1 . 2 .]" 1
16 1 52 LEU H 1 52 LEU QB 2.800 . 3.800 2.748 2.311 3.255 . 0 0 "[ . 1 . 2 .]" 1
17 1 44 THR MG 1 52 LEU H 3.300 . 4.700 11.098 10.336 11.634 6.934 21 25 [******************-*+****] 1
18 1 44 THR HA 1 54 ALA H 6.000 . 6.000 9.311 8.260 10.119 4.119 6 25 [*****+************-******] 1
19 1 52 LEU H 1 52 LEU HA 2.900 . 4.000 2.941 2.902 2.950 . 0 0 "[ . 1 . 2 .]" 1
20 1 27 ILE HA 1 28 ASN H 2.000 . 2.500 2.586 2.540 2.648 0.148 20 0 "[ . 1 . 2 .]" 1
21 1 28 ASN H 1 32 GLU QG 3.500 . 5.100 10.288 10.112 10.505 5.405 11 25 [*-********+**************] 1
22 1 28 ASN H 1 32 GLU QB 4.200 . 4.500 9.187 9.098 9.321 4.821 14 25 [*************+*-*********] 1
23 1 13 ARG H 1 14 GLY H 2.800 . 3.800 2.568 2.486 2.718 . 0 0 "[ . 1 . 2 .]" 1
24 1 11 ASP HA 1 14 GLY H 3.500 . 5.000 3.653 3.525 3.816 . 0 0 "[ . 1 . 2 .]" 1
25 1 13 ARG HA 1 14 GLY H 2.900 . 4.000 3.545 3.518 3.592 . 0 0 "[ . 1 . 2 .]" 1
26 1 70 SER QB 1 71 ALA H 2.800 . 3.800 3.931 3.848 4.025 0.225 10 0 "[ . 1 . 2 .]" 1
27 1 70 SER HA 1 71 ALA H 2.200 . 2.800 2.425 2.386 2.505 . 0 0 "[ . 1 . 2 .]" 1
28 1 21 ALA H 1 22 GLY H 4.000 . 6.000 2.299 2.268 2.335 . 0 0 "[ . 1 . 2 .]" 1
29 1 19 ALA H 1 21 ALA H 5.500 . 6.000 3.991 3.955 4.039 . 0 0 "[ . 1 . 2 .]" 1
30 1 70 SER H 1 71 ALA H 4.500 . 6.000 3.759 3.685 3.822 . 0 0 "[ . 1 . 2 .]" 1
31 1 21 ALA H 1 21 ALA HA 2.700 . 3.600 2.882 2.870 2.902 . 0 0 "[ . 1 . 2 .]" 1
32 1 71 ALA H 1 71 ALA HA 2.400 . 3.100 2.250 2.245 2.252 . 0 0 "[ . 1 . 2 .]" 1
33 1 20 LEU QB 1 21 ALA H 3.200 . 4.500 3.156 2.839 3.538 . 0 0 "[ . 1 . 2 .]" 1
34 1 18 GLY H 1 19 ALA H 2.700 . 3.600 2.844 2.762 2.919 . 0 0 "[ . 1 . 2 .]" 1
35 1 19 ALA H 1 20 LEU H 2.400 . 3.100 2.551 2.526 2.579 . 0 0 "[ . 1 . 2 .]" 1
36 1 44 THR HB 1 45 CYS H 3.900 . 5.800 4.074 3.926 4.212 . 0 0 "[ . 1 . 2 .]" 1
37 1 17 ILE MG 1 21 ALA H 3.700 . 5.400 4.010 3.787 4.132 . 0 0 "[ . 1 . 2 .]" 1
38 1 44 THR MG 1 45 CYS H 3.600 . 5.200 3.903 3.631 4.095 . 0 0 "[ . 1 . 2 .]" 1
39 1 17 ILE MD 1 21 ALA H 3.700 . 5.500 6.689 6.485 6.799 1.299 16 25 [***************+*******-*] 1
40 1 22 GLY H 1 23 ALA H 2.500 . 3.300 4.458 3.733 4.630 1.330 10 23 "[*********+******** 2***-*]" 1
41 1 23 ALA H 1 24 ASP H 4.500 . 6.000 2.575 1.893 2.830 0.007 19 0 "[ . 1 . 2 .]" 1
42 1 80 ASN HA 1 84 LEU H 4.300 . 6.000 3.803 3.606 5.195 . 0 0 "[ . 1 . 2 .]" 1
43 1 20 LEU HA 1 23 ALA H 3.600 . 5.200 7.568 6.336 7.861 2.661 9 25 [********+*********-******] 1
44 1 82 ALA HA 1 84 LEU H 5.000 . 6.000 4.185 3.491 4.269 . 0 0 "[ . 1 . 2 .]" 1
45 1 20 LEU QB 1 23 ALA H 3.800 . 5.600 8.159 6.854 8.539 2.939 11 25 [**********+********-*****] 1
46 1 44 THR MG 1 46 LYS H 3.600 . 5.200 4.399 3.755 4.829 . 0 0 "[ . 1 . 2 .]" 1
47 1 15 GLN H 1 16 ILE H 2.300 . 2.900 2.533 2.506 2.583 . 0 0 "[ . 1 . 2 .]" 1
48 1 46 LYS H 1 46 LYS HA 3.000 . 4.100 2.909 2.846 2.946 . 0 0 "[ . 1 . 2 .]" 1
49 1 23 ALA H 1 24 ASP HA 4.400 . 6.000 4.974 4.303 5.207 . 0 0 "[ . 1 . 2 .]" 1
50 1 45 CYS HA 1 46 LYS H 2.300 . 3.000 2.158 2.102 2.247 . 0 0 "[ . 1 . 2 .]" 1
51 1 56 ASP HA 1 57 ALA H 3.400 . 4.900 3.575 3.554 3.591 . 0 0 "[ . 1 . 2 .]" 1
52 1 43 THR HA 1 44 THR H 2.600 . 3.400 2.227 2.092 2.508 . 0 0 "[ . 1 . 2 .]" 1
53 1 44 THR H 1 44 THR HB 2.700 . 3.600 2.662 2.443 2.799 . 0 0 "[ . 1 . 2 .]" 1
54 1 56 ASP HB3 1 57 ALA H 3.000 . 4.100 2.422 2.191 3.785 . 0 0 "[ . 1 . 2 .]" 1
55 1 46 LYS H 1 46 LYS QB 3.100 . 4.300 2.498 2.467 2.577 . 0 0 "[ . 1 . 2 .]" 1
56 1 23 ALA H 1 36 ALA MB 3.500 . 5.000 8.578 7.638 8.957 3.957 14 25 [*************+****-******] 1
57 1 44 THR H 1 44 THR MG 4.400 . 6.000 2.072 1.891 2.548 0.109 10 0 "[ . 1 . 2 .]" 1
58 1 57 ALA H 1 58 GLY H 2.700 . 3.600 2.719 2.651 2.765 . 0 0 "[ . 1 . 2 .]" 1
59 1 14 GLY H 1 15 GLN H 2.200 . 2.800 2.581 2.517 2.636 . 0 0 "[ . 1 . 2 .]" 1
60 1 56 ASP H 1 57 ALA H 2.600 . 3.400 2.787 2.637 2.901 . 0 0 "[ . 1 . 2 .]" 1
61 1 11 ASP HA 1 15 GLN H 4.000 . 6.000 4.006 3.779 4.126 . 0 0 "[ . 1 . 2 .]" 1
62 1 8 VAL H 1 9 LYS HA 3.700 . 5.400 5.058 4.599 5.595 0.195 22 0 "[ . 1 . 2 .]" 1
63 1 57 ALA H 1 57 ALA HA 2.700 . 3.600 2.841 2.818 2.851 . 0 0 "[ . 1 . 2 .]" 1
64 1 12 ILE HA 1 15 GLN H 3.200 . 4.500 3.441 3.292 3.613 . 0 0 "[ . 1 . 2 .]" 1
65 1 58 GLY H 1 59 GLN H 2.900 . 4.000 2.487 2.357 2.673 . 0 0 "[ . 1 . 2 .]" 1
66 1 49 ASP H 1 50 VAL H 2.500 . 3.300 3.865 2.781 4.585 1.285 4 10 "[ * +. * 1** *. -2* **.]" 1
67 1 46 LYS HA 1 50 VAL H 5.300 . 6.000 10.217 9.054 11.841 5.841 4 25 [***+*-*******************] 1
68 1 50 VAL H 1 50 VAL HA 2.700 . 3.600 2.795 2.274 2.938 . 0 0 "[ . 1 . 2 .]" 1
69 1 62 THR HA 1 63 ALA H 2.400 . 3.100 2.175 2.130 2.444 . 0 0 "[ . 1 . 2 .]" 1
70 1 53 LYS QB 1 56 ASP H 4.300 . 6.000 7.256 6.873 7.667 1.667 14 25 [*************+***-*******] 1
71 1 62 THR H 1 63 ALA H 5.400 . 6.000 4.261 3.390 4.533 . 0 0 "[ . 1 . 2 .]" 1
72 1 63 ALA H 1 63 ALA HA 3.000 . 4.200 2.844 2.738 2.897 . 0 0 "[ . 1 . 2 .]" 1
73 1 32 GLU H 1 33 LEU H 2.700 . 3.600 2.925 2.830 2.974 . 0 0 "[ . 1 . 2 .]" 1
74 1 29 SER H 1 33 LEU H 3.700 . 5.400 5.314 5.164 5.378 . 0 0 "[ . 1 . 2 .]" 1
75 1 10 GLU QB 1 11 ASP H 2.700 . 3.600 2.424 2.305 2.539 . 0 0 "[ . 1 . 2 .]" 1
76 1 11 ASP H 1 12 ILE H 2.600 . 3.400 2.425 2.414 2.437 . 0 0 "[ . 1 . 2 .]" 1
77 1 33 LEU H 1 34 MET H 2.800 . 3.800 2.755 2.729 2.784 . 0 0 "[ . 1 . 2 .]" 1
78 1 68 PHE HA 1 69 LYS H 2.200 . 2.800 2.422 2.384 2.450 . 0 0 "[ . 1 . 2 .]" 1
79 1 11 ASP H 1 12 ILE HA 4.200 . 6.000 5.026 5.012 5.037 . 0 0 "[ . 1 . 2 .]" 1
80 1 68 PHE QB 1 69 LYS H 3.100 . 4.300 3.917 3.894 3.935 . 0 0 "[ . 1 . 2 .]" 1
81 1 69 LYS H 1 73 GLU QB 2.700 . 3.600 8.205 8.053 8.353 4.753 13 25 [****-*******+************] 1
82 1 10 GLU QG 1 11 ASP H 4.800 . 6.000 3.572 3.037 4.191 . 0 0 "[ . 1 . 2 .]" 1
83 1 32 GLU QB 1 33 LEU H . . 3.400 2.170 2.112 2.264 . 0 0 "[ . 1 . 2 .]" 1
84 1 69 LYS H 1 69 LYS QB 2.400 . 3.100 2.071 2.049 2.094 . 0 0 "[ . 1 . 2 .]" 1
85 1 47 SER H 1 48 GLY H 5.000 . 6.000 4.572 4.481 4.623 . 0 0 "[ . 1 . 2 .]" 1
86 1 46 LYS H 1 47 SER H 3.700 . 5.400 3.254 3.005 3.673 . 0 0 "[ . 1 . 2 .]" 1
87 1 47 SER H 1 50 VAL H 3.400 . 4.900 8.349 7.213 10.009 5.109 4 25 [***+*-*******************] 1
88 1 46 LYS HA 1 47 SER H 2.100 . 2.700 2.684 2.488 2.769 0.069 14 0 "[ . 1 . 2 .]" 1
89 1 47 SER H 1 51 GLU HA 4.100 . 6.000 8.048 7.655 8.450 2.450 21 25 [************-*******+****] 1
90 1 47 SER H 1 47 SER QB 2.900 . 4.000 2.596 2.547 2.662 . 0 0 "[ . 1 . 2 .]" 1
91 1 46 LYS QB 1 47 SER H 3.500 . 5.000 3.892 3.861 3.923 . 0 0 "[ . 1 . 2 .]" 1
92 1 10 GLU H 1 11 ASP H 3.600 . 5.200 2.904 2.831 2.944 . 0 0 "[ . 1 . 2 .]" 1
93 1 9 LYS HA 1 11 ASP H 5.000 . 6.000 3.869 3.712 3.991 . 0 0 "[ . 1 . 2 .]" 1
94 1 24 ASP HA 1 25 PHE H 2.800 . 3.800 2.603 2.564 2.679 . 0 0 "[ . 1 . 2 .]" 1
95 1 24 ASP H 1 24 ASP QB . . 2.500 2.386 2.043 2.859 0.359 16 0 "[ . 1 . 2 .]" 1
96 1 24 ASP H 1 36 ALA MB 5.300 . 6.000 6.529 6.219 7.145 1.145 20 13 "[* *.*** **- *. *+ * *]" 1
97 1 75 ALA H 1 76 ASP H 2.800 . 3.800 2.679 2.620 2.779 . 0 0 "[ . 1 . 2 .]" 1
98 1 32 GLU H 1 34 MET H 4.300 . 6.000 4.530 4.400 4.610 . 0 0 "[ . 1 . 2 .]" 1
99 1 25 PHE H 1 26 PRO HA 4.200 . 6.000 5.666 5.239 5.742 . 0 0 "[ . 1 . 2 .]" 1
100 1 25 PHE H 1 25 PHE HA 2.900 . 3.900 2.817 2.787 2.829 . 0 0 "[ . 1 . 2 .]" 1
101 1 77 THR HA 1 81 LYS H 4.200 . 6.000 4.041 3.670 4.377 . 0 0 "[ . 1 . 2 .]" 1
102 1 79 VAL HA 1 81 LYS H 4.200 . 6.000 4.473 4.221 4.681 . 0 0 "[ . 1 . 2 .]" 1
103 1 72 GLU HA 1 75 ALA H 3.200 . 4.400 3.311 3.208 3.399 . 0 0 "[ . 1 . 2 .]" 1
104 1 78 ILE HA 1 81 LYS H 3.500 . 5.000 3.784 3.581 3.993 . 0 0 "[ . 1 . 2 .]" 1
105 1 81 LYS H 1 81 LYS QB 2.200 . 2.800 2.399 2.307 2.476 . 0 0 "[ . 1 . 2 .]" 1
106 1 31 GLU HB3 1 32 GLU H 3.900 . 5.800 4.097 4.066 4.130 . 0 0 "[ . 1 . 2 .]" 1
107 1 11 ASP HA 1 13 ARG H 3.700 . 5.400 4.764 4.709 4.786 . 0 0 "[ . 1 . 2 .]" 1
108 1 12 ILE HA 1 13 ARG H 2.900 . 3.900 3.551 3.544 3.556 . 0 0 "[ . 1 . 2 .]" 1
109 1 32 GLU H 1 32 GLU QG 3.000 . 4.100 1.957 1.904 1.999 . 0 0 "[ . 1 . 2 .]" 1
110 1 31 GLU HB2 1 32 GLU H 2.200 . 2.800 2.812 2.763 2.890 0.090 16 0 "[ . 1 . 2 .]" 1
111 1 32 GLU H 1 33 LEU QB 4.100 . 6.000 4.618 4.538 4.673 . 0 0 "[ . 1 . 2 .]" 1
112 1 43 THR H 1 44 THR H 4.500 . 6.000 3.338 2.813 3.473 . 0 0 "[ . 1 . 2 .]" 1
113 1 42 ASP HA 1 43 THR H 2.400 . 3.100 3.087 2.700 3.571 0.471 25 0 "[ . 1 . 2 .]" 1
114 1 11 ASP HA 1 12 ILE H 3.500 . 5.000 3.515 3.496 3.537 . 0 0 "[ . 1 . 2 .]" 1
115 1 12 ILE H 1 12 ILE HA 2.800 . 3.600 2.802 2.788 2.818 . 0 0 "[ . 1 . 2 .]" 1
116 1 39 ASN QB 1 43 THR H 3.600 . 5.200 7.573 6.806 8.198 2.998 23 25 [*******-**************+**] 1
117 1 42 ASP QB 1 43 THR H 4.300 . 6.000 3.566 2.154 4.018 . 0 0 "[ . 1 . 2 .]" 1
118 1 78 ILE H 1 78 ILE HB 2.000 . 2.500 2.509 2.421 2.604 0.104 13 0 "[ . 1 . 2 .]" 1
119 1 37 LEU QB 1 43 THR H 3.200 . 4.500 7.737 6.328 8.739 4.239 19 25 [******************+-*****] 1
120 1 72 GLU H 1 74 VAL H 4.100 . 6.000 4.652 4.346 4.807 . 0 0 "[ . 1 . 2 .]" 1
121 1 74 VAL H 1 75 ALA H 2.500 . 3.300 2.535 2.504 2.606 . 0 0 "[ . 1 . 2 .]" 1
122 1 36 ALA H 1 37 LEU H 2.300 . 3.000 2.513 2.437 2.553 . 0 0 "[ . 1 . 2 .]" 1
123 1 82 ALA H 1 82 ALA HA 2.900 . 3.900 2.844 2.832 2.867 . 0 0 "[ . 1 . 2 .]" 1
124 1 81 LYS HA 1 82 ALA H 3.100 . 4.300 3.568 3.558 3.580 . 0 0 "[ . 1 . 2 .]" 1
125 1 73 GLU HA 1 74 VAL H 3.400 . 4.900 3.596 3.518 3.620 . 0 0 "[ . 1 . 2 .]" 1
126 1 79 VAL HA 1 82 ALA H 3.000 . 4.100 3.819 3.466 4.031 . 0 0 "[ . 1 . 2 .]" 1
127 1 78 ILE HA 1 82 ALA H 3.700 . 5.400 4.091 3.625 4.521 . 0 0 "[ . 1 . 2 .]" 1
128 1 68 PHE QB 1 74 VAL H 4.600 . 6.000 9.973 9.886 10.083 4.083 20 25 [*****************-*+*****] 1
129 1 74 VAL H 1 74 VAL HA 2.700 . 3.600 2.837 2.818 2.854 . 0 0 "[ . 1 . 2 .]" 1
130 1 36 ALA H 1 37 LEU QB 4.300 . 6.000 4.458 4.169 4.971 . 0 0 "[ . 1 . 2 .]" 1
131 1 62 THR H 1 65 ASP H 3.600 . 5.200 8.736 8.082 9.277 4.077 25 25 [********-***************+] 1
132 1 63 ALA H 1 65 ASP H 4.400 . 6.000 5.185 5.031 5.354 . 0 0 "[ . 1 . 2 .]" 1
133 1 65 ASP H 1 66 PHE H 2.600 . 3.400 2.719 2.669 2.760 . 0 0 "[ . 1 . 2 .]" 1
134 1 61 LEU HA 1 65 ASP H 4.200 . 6.000 10.056 9.155 10.435 4.435 8 25 [*******+*******-*********] 1
135 1 65 ASP H 1 65 ASP QB 2.400 . 3.100 2.395 2.243 2.527 . 0 0 "[ . 1 . 2 .]" 1
136 1 72 GLU H 1 73 GLU H 2.800 . 3.800 2.797 2.777 2.823 . 0 0 "[ . 1 . 2 .]" 1
137 1 71 ALA H 1 73 GLU H 4.600 . 6.000 5.468 5.365 5.570 . 0 0 "[ . 1 . 2 .]" 1
138 1 79 VAL H 1 80 ASN H 2.300 . 3.000 2.850 2.800 2.911 . 0 0 "[ . 1 . 2 .]" 1
139 1 17 ILE H 1 18 GLY H 2.600 . 3.400 2.605 2.562 2.658 . 0 0 "[ . 1 . 2 .]" 1
140 1 76 ASP HA 1 80 ASN H 4.300 . 6.000 4.245 3.979 4.553 . 0 0 "[ . 1 . 2 .]" 1
141 1 73 GLU H 1 73 GLU HA 2.800 . 3.800 2.794 2.774 2.829 . 0 0 "[ . 1 . 2 .]" 1
142 1 77 THR HA 1 80 ASN H 3.700 . 5.400 3.825 3.476 4.023 . 0 0 "[ . 1 . 2 .]" 1
143 1 79 VAL HA 1 80 ASN H 3.500 . 5.000 3.579 3.565 3.599 . 0 0 "[ . 1 . 2 .]" 1
144 1 13 ARG HA 1 17 ILE H 4.100 . 6.000 4.422 4.292 4.655 . 0 0 "[ . 1 . 2 .]" 1
145 1 72 GLU HA 1 73 GLU H 3.600 . 5.200 3.482 3.464 3.502 . 0 0 "[ . 1 . 2 .]" 1
146 1 78 ILE HA 1 80 ASN H 4.200 . 6.000 4.854 4.680 4.965 . 0 0 "[ . 1 . 2 .]" 1
147 1 73 GLU H 1 73 GLU QB 2.300 . 3.000 1.931 1.908 1.974 . 0 0 "[ . 1 . 2 .]" 1
148 1 17 ILE H 1 17 ILE HB 2.000 . 2.500 2.470 2.403 2.518 0.018 8 0 "[ . 1 . 2 .]" 1
149 1 37 LEU H 1 37 LEU QB 2.100 . 2.600 2.357 2.098 2.803 0.203 24 0 "[ . 1 . 2 .]" 1
150 1 79 VAL MG2 1 80 ASN H 2.500 . 3.300 3.176 2.989 3.327 0.027 23 0 "[ . 1 . 2 .]" 1
151 1 17 ILE H 1 17 ILE QG 2.900 . 3.900 2.231 2.149 2.462 . 0 0 "[ . 1 . 2 .]" 1
152 1 34 MET H 1 35 ALA H 2.600 . 3.400 2.828 2.743 2.881 . 0 0 "[ . 1 . 2 .]" 1
153 1 35 ALA H 1 36 ALA H 2.300 . 3.000 2.479 2.310 2.531 . 0 0 "[ . 1 . 2 .]" 1
154 1 35 ALA H 1 37 LEU H 4.100 . 6.000 3.913 3.713 4.025 . 0 0 "[ . 1 . 2 .]" 1
155 1 37 LEU H 1 37 LEU HA 2.600 . 3.500 2.835 2.795 2.876 . 0 0 "[ . 1 . 2 .]" 1
156 1 47 SER HA 1 48 GLY H 2.600 . 3.400 2.209 2.117 2.335 . 0 0 "[ . 1 . 2 .]" 1
157 1 70 SER QB 1 73 GLU H 3.900 . 5.800 5.885 5.669 6.223 0.423 10 0 "[ . 1 . 2 .]" 1
158 1 47 SER QB 1 48 GLY H 4.800 . 6.000 2.889 2.576 3.261 . 0 0 "[ . 1 . 2 .]" 1
159 1 34 MET QB 1 35 ALA H 3.000 . 4.100 3.407 3.335 3.579 . 0 0 "[ . 1 . 2 .]" 1
160 1 71 ALA H 1 72 GLU H 2.500 . 3.300 4.395 4.373 4.433 1.133 20 25 [*-*****************+*****] 1
161 1 72 GLU H 1 73 GLU HA 5.000 . 6.000 5.333 5.306 5.355 . 0 0 "[ . 1 . 2 .]" 1
162 1 70 SER QB 1 72 GLU H 3.000 . 4.100 6.547 6.402 6.787 2.687 13 25 [************+********-***] 1
163 1 72 GLU H 1 72 GLU HA 2.700 . 3.600 2.752 2.749 2.761 . 0 0 "[ . 1 . 2 .]" 1
164 1 72 GLU H 1 73 GLU QG 3.900 . 5.800 3.982 3.922 4.064 . 0 0 "[ . 1 . 2 .]" 1
165 1 72 GLU H 1 72 GLU QB 3.300 . 3.300 2.362 2.069 2.826 . 0 0 "[ . 1 . 2 .]" 1
166 1 10 GLU H 1 12 ILE H 2.600 . 3.400 3.866 3.764 3.983 0.583 3 9 "[* + *** - ***. 2 .]" 1
167 1 10 GLU H 1 12 ILE HA 3.700 . 5.400 6.595 6.510 6.697 1.297 3 25 [**+**************-*******] 1
168 1 10 GLU H 1 11 ASP QB 4.600 . 6.000 4.852 4.694 5.072 . 0 0 "[ . 1 . 2 .]" 1
169 1 10 GLU H 1 10 GLU QG 3.800 . 5.600 4.002 3.980 4.054 . 0 0 "[ . 1 . 2 .]" 1
170 1 10 GLU H 1 10 GLU QB 2.400 . 3.100 2.266 2.242 2.281 . 0 0 "[ . 1 . 2 .]" 1
171 1 76 ASP H 1 79 VAL H 4.500 . 6.000 4.799 4.722 4.869 . 0 0 "[ . 1 . 2 .]" 1
172 1 76 ASP H 1 78 ILE H 4.100 . 6.000 4.078 3.882 4.230 . 0 0 "[ . 1 . 2 .]" 1
173 1 73 GLU HA 1 76 ASP H 3.200 . 4.400 3.684 3.507 3.957 . 0 0 "[ . 1 . 2 .]" 1
174 1 76 ASP H 1 76 ASP QB 2.300 . 3.000 2.368 2.041 2.917 . 0 0 "[ . 1 . 2 .]" 1
175 1 76 ASP H 1 79 VAL MG2 4.400 . 6.000 6.488 6.209 6.696 0.696 15 10 "[ .* 1 - + ** *** **]" 1
176 1 76 ASP H 1 77 THR H 2.700 . 3.600 2.790 2.693 2.938 . 0 0 "[ . 1 . 2 .]" 1
177 1 77 THR H 1 78 ILE H 2.700 . 3.600 2.629 2.567 2.689 . 0 0 "[ . 1 . 2 .]" 1
178 1 56 ASP HA 1 59 GLN H 3.500 . 5.000 4.579 4.388 4.768 . 0 0 "[ . 1 . 2 .]" 1
179 1 76 ASP H 1 76 ASP HA 2.800 . 3.800 2.798 2.761 2.834 . 0 0 "[ . 1 . 2 .]" 1
180 1 77 THR H 1 77 THR HA 2.900 . 3.900 2.831 2.816 2.853 . 0 0 "[ . 1 . 2 .]" 1
181 1 75 ALA HA 1 77 THR H 4.700 . 6.000 4.667 4.333 4.986 . 0 0 "[ . 1 . 2 .]" 1
182 1 77 THR H 1 78 ILE HA 6.000 . 6.000 5.239 5.187 5.284 . 0 0 "[ . 1 . 2 .]" 1
183 1 76 ASP QB 1 77 THR H 3.000 . 4.200 2.713 2.427 3.342 . 0 0 "[ . 1 . 2 .]" 1
184 1 77 THR H 1 78 ILE HB 4.400 . 6.000 4.790 4.732 4.857 . 0 0 "[ . 1 . 2 .]" 1
185 1 77 THR H 1 79 VAL MG2 4.300 . 6.000 6.645 6.362 6.847 0.847 15 22 "[******* *****+***-**** *]" 1
186 1 18 GLY H 1 20 LEU H 5.500 . 6.000 3.917 3.871 3.970 . 0 0 "[ . 1 . 2 .]" 1
187 1 20 LEU H 1 20 LEU HA 2.700 . 3.600 2.810 2.798 2.827 . 0 0 "[ . 1 . 2 .]" 1
188 1 17 ILE HA 1 20 LEU H 3.400 . 4.900 3.382 3.195 3.469 . 0 0 "[ . 1 . 2 .]" 1
189 1 61 LEU H 1 62 THR H 4.500 . 6.000 2.848 2.591 3.133 . 0 0 "[ . 1 . 2 .]" 1
190 1 62 THR H 1 62 THR HA 2.600 . 3.400 2.884 2.820 2.943 . 0 0 "[ . 1 . 2 .]" 1
191 1 62 THR H 1 65 ASP QB 3.100 . 4.300 8.965 8.040 10.062 5.762 12 25 [********-**+*************] 1
192 1 64 ASP HA 1 66 PHE H 3.400 . 4.900 3.743 3.694 3.800 . 0 0 "[ . 1 . 2 .]" 1
193 1 66 PHE H 1 66 PHE QB 2.300 . 3.000 2.469 2.400 2.499 . 0 0 "[ . 1 . 2 .]" 1
194 1 65 ASP QB 1 66 PHE H 3.400 . 4.800 2.987 2.803 3.663 . 0 0 "[ . 1 . 2 .]" 1
195 1 34 MET H 1 36 ALA H 3.700 . 5.400 3.890 3.819 4.018 . 0 0 "[ . 1 . 2 .]" 1
196 1 34 MET H 1 37 LEU H 4.800 . 6.000 4.653 4.529 4.759 . 0 0 "[ . 1 . 2 .]" 1
197 1 34 MET H 1 34 MET HA 2.400 . 3.100 2.746 2.737 2.751 . 0 0 "[ . 1 . 2 .]" 1
198 1 30 PRO QB 1 34 MET H 3.700 . 5.400 5.146 5.069 5.253 . 0 0 "[ . 1 . 2 .]" 1
199 1 34 MET H 1 34 MET QB 2.300 . 2.900 2.330 2.307 2.390 . 0 0 "[ . 1 . 2 .]" 1
200 1 28 ASN H 1 29 SER H 2.900 . 3.900 2.579 2.501 2.681 . 0 0 "[ . 1 . 2 .]" 1
201 1 27 ILE HA 1 29 SER H 3.300 . 4.700 5.145 5.040 5.295 0.595 10 7 "[ . +* *. *2*- *]" 1
202 1 29 SER H 1 29 SER QB 3.700 . 5.100 2.152 2.133 2.199 . 0 0 "[ . 1 . 2 .]" 1
203 1 63 ALA H 1 64 ASP H 3.000 . 4.100 4.611 4.483 4.648 0.548 16 22 "[ ******-******+********.]" 1
204 1 29 SER H 1 32 GLU H 4.300 . 6.000 7.277 7.151 7.357 1.357 5 25 [****+****************-***] 1
205 1 64 ASP H 1 66 PHE H 4.200 . 6.000 4.149 4.011 4.270 . 0 0 "[ . 1 . 2 .]" 1
206 1 63 ALA HA 1 64 ASP H 3.700 . 5.400 2.373 2.316 2.667 . 0 0 "[ . 1 . 2 .]" 1
207 1 64 ASP H 1 64 ASP HB3 3.800 . 5.600 2.955 2.128 3.574 . 0 0 "[ . 1 . 2 .]" 1
208 1 64 ASP H 1 64 ASP HB2 2.600 . 3.400 2.755 2.113 3.532 0.132 18 0 "[ . 1 . 2 .]" 1
209 1 76 ASP HA 1 79 VAL H 3.700 . 5.400 3.917 3.645 4.069 . 0 0 "[ . 1 . 2 .]" 1
210 1 79 VAL H 1 79 VAL HA 2.600 . 3.500 2.798 2.779 2.819 . 0 0 "[ . 1 . 2 .]" 1
211 1 78 ILE HA 1 79 VAL H 3.900 . 5.800 3.564 3.527 3.575 . 0 0 "[ . 1 . 2 .]" 1
212 1 78 ILE HB 1 79 VAL H 2.300 . 3.000 2.455 2.375 2.616 . 0 0 "[ . 1 . 2 .]" 1
213 1 78 ILE MG 1 79 VAL H 2.900 . 3.900 3.259 3.091 3.396 . 0 0 "[ . 1 . 2 .]" 1
214 1 54 ALA H 1 55 SER H 3.100 . 4.300 4.308 4.239 4.351 0.051 5 0 "[ . 1 . 2 .]" 1
215 1 55 SER H 1 57 ALA H 4.100 . 6.000 4.591 4.112 5.002 . 0 0 "[ . 1 . 2 .]" 1
216 1 55 SER H 1 56 ASP H 2.900 . 4.000 2.758 2.498 2.926 . 0 0 "[ . 1 . 2 .]" 1
217 1 9 LYS HA 1 10 GLU H 2.800 . 3.800 3.361 3.339 3.393 . 0 0 "[ . 1 . 2 .]" 1
218 1 55 SER H 1 55 SER HA 2.900 . 3.900 2.788 2.728 2.875 . 0 0 "[ . 1 . 2 .]" 1
219 1 55 SER H 1 55 SER QB 2.400 . 3.100 2.440 2.044 2.884 . 0 0 "[ . 1 . 2 .]" 1
220 1 30 PRO QB 1 55 SER H 4.300 . 6.000 10.739 9.976 11.066 5.066 24 25 [***************-*******+*] 1
221 1 53 LYS QB 1 55 SER H 3.000 . 4.100 5.973 5.675 6.293 2.193 6 25 [*****+**************-****] 1
222 1 70 SER H 1 70 SER QB 3.500 . 5.100 2.328 2.189 2.524 . 0 0 "[ . 1 . 2 .]" 1
223 1 70 SER H 1 70 SER HA 2.400 . 3.100 2.835 2.824 2.850 . 0 0 "[ . 1 . 2 .]" 1
224 1 68 PHE QB 1 70 SER H 2.900 . 3.900 5.708 5.604 5.796 1.896 9 25 [********+**************-*] 1
225 1 70 SER H 1 73 GLU QB 3.100 . 4.300 5.670 5.472 5.846 1.546 4 25 [***+-********************] 1
226 1 69 LYS QB 1 70 SER H 3.600 . 5.200 3.119 3.069 3.179 . 0 0 "[ . 1 . 2 .]" 1
227 1 60 VAL H 1 60 VAL HA 2.900 . 4.000 2.715 2.698 2.761 . 0 0 "[ . 1 . 2 .]" 1
228 1 25 PHE H 1 25 PHE HB2 3.200 . 4.500 2.247 2.160 2.341 . 0 0 "[ . 1 . 2 .]" 1
229 1 24 ASP QB 1 25 PHE H 2.100 . 2.700 2.321 2.159 2.716 0.016 1 0 "[ . 1 . 2 .]" 1
230 1 11 ASP H 1 11 ASP QB 2.400 . 3.100 2.366 2.274 2.544 . 0 0 "[ . 1 . 2 .]" 1
231 1 11 ASP QB 1 12 ILE H 2.800 . 3.700 2.856 2.725 3.469 . 0 0 "[ . 1 . 2 .]" 1
232 1 12 ILE HA 1 14 GLY H 4.600 . 6.000 4.628 4.485 4.808 . 0 0 "[ . 1 . 2 .]" 1
233 1 10 GLU HA 1 14 GLY H 4.200 . 6.000 4.102 3.973 4.260 . 0 0 "[ . 1 . 2 .]" 1
234 1 12 ILE H 1 15 GLN H 3.600 . 5.200 4.406 4.285 4.481 . 0 0 "[ . 1 . 2 .]" 1
235 1 16 ILE H 1 17 ILE HB 3.200 . 4.500 4.725 4.657 4.816 0.316 24 0 "[ . 1 . 2 .]" 1
236 1 16 ILE H 1 17 ILE H 2.700 . 3.600 2.500 2.465 2.562 . 0 0 "[ . 1 . 2 .]" 1
237 1 20 LEU H 1 20 LEU QB . . 2.800 2.460 2.065 2.903 0.103 25 0 "[ . 1 . 2 .]" 1
238 1 20 LEU H 1 21 ALA H 1.700 . 2.200 2.606 2.574 2.639 0.439 13 0 "[ . 1 . 2 .]" 1
239 1 21 ALA H 1 23 ALA H 3.900 . 5.800 6.454 5.280 6.763 0.963 22 20 "[* ************* -* 2*+* *]" 1
240 1 18 GLY H 1 21 ALA H 6.000 . 6.000 4.675 4.640 4.748 . 0 0 "[ . 1 . 2 .]" 1
241 1 21 ALA HA 1 22 GLY H 2.600 . 3.500 3.466 3.447 3.478 . 0 0 "[ . 1 . 2 .]" 1
242 1 29 SER H 1 29 SER HA 2.900 . 4.000 2.837 2.822 2.853 . 0 0 "[ . 1 . 2 .]" 1
243 1 31 GLU HA 1 32 GLU H 3.500 . 5.000 3.521 3.492 3.537 . 0 0 "[ . 1 . 2 .]" 1
244 1 32 GLU H 1 32 GLU QB 2.800 . 3.800 2.570 2.549 2.592 . 0 0 "[ . 1 . 2 .]" 1
245 1 24 ASP QB 1 32 GLU H 4.900 . 6.000 7.696 7.314 8.205 2.205 25 25 [***************-********+] 1
246 1 33 LEU H 1 35 ALA H 5.000 . 6.000 3.990 3.842 4.080 . 0 0 "[ . 1 . 2 .]" 1
247 1 37 LEU HA 1 40 GLY H 3.600 . 5.200 7.514 6.445 7.959 2.759 12 25 [***********+**********-**] 1
248 1 37 LEU QB 1 40 GLY H 2.900 . 4.000 7.321 6.644 8.028 4.028 15 25 [**************+*******-**] 1
249 1 57 ALA H 1 59 GLN H 4.500 . 6.000 4.107 3.994 4.282 . 0 0 "[ . 1 . 2 .]" 1
250 1 53 LYS H 1 57 ALA H 4.800 . 6.000 7.006 6.787 7.405 1.405 19 25 [*****-************+******] 1
251 1 54 ALA HA 1 58 GLY H 2.400 . 3.100 4.662 4.386 4.785 1.685 15 25 [************-*+**********] 1
252 1 55 SER HA 1 58 GLY H 3.700 . 5.400 4.181 3.753 4.453 . 0 0 "[ . 1 . 2 .]" 1
253 1 57 ALA HA 1 58 GLY H 4.200 . 6.000 3.569 3.558 3.580 . 0 0 "[ . 1 . 2 .]" 1
254 1 61 LEU HA 1 62 THR H 2.500 . 3.300 3.283 2.976 3.531 0.231 10 0 "[ . 1 . 2 .]" 1
255 1 63 ALA H 1 66 PHE H 5.000 . 6.000 4.178 3.881 4.516 . 0 0 "[ . 1 . 2 .]" 1
256 1 71 ALA HA 1 72 GLU H 2.900 . 3.900 2.344 2.324 2.373 . 0 0 "[ . 1 . 2 .]" 1
257 1 73 GLU H 1 74 VAL H 2.000 . 2.500 2.823 2.555 2.929 0.429 20 0 "[ . 1 . 2 .]" 1
258 1 70 SER HA 1 73 GLU H 4.800 . 6.000 6.791 6.666 6.929 0.929 4 25 [***+*-*******************] 1
259 1 74 VAL H 1 76 ASP H 3.800 . 5.600 4.187 4.026 4.410 . 0 0 "[ . 1 . 2 .]" 1
260 1 72 GLU HA 1 74 VAL H 4.900 . 6.000 4.406 4.165 4.521 . 0 0 "[ . 1 . 2 .]" 1
261 1 73 GLU QB 1 74 VAL H 2.500 . 3.300 1.956 1.879 2.107 . 0 0 "[ . 1 . 2 .]" 1
262 1 73 GLU H 1 75 ALA H 4.500 . 6.000 4.057 3.954 4.135 . 0 0 "[ . 1 . 2 .]" 1
263 1 75 ALA H 1 75 ALA HA 2.600 . 3.500 2.822 2.801 2.836 . 0 0 "[ . 1 . 2 .]" 1
264 1 73 GLU HA 1 75 ALA H 5.200 . 6.000 4.453 4.283 4.583 . 0 0 "[ . 1 . 2 .]" 1
265 1 75 ALA HA 1 76 ASP H 3.500 . 5.000 3.538 3.506 3.564 . 0 0 "[ . 1 . 2 .]" 1
266 1 75 ALA H 1 77 THR H 6.000 . 6.000 4.356 3.972 4.604 . 0 0 "[ . 1 . 2 .]" 1
267 1 77 THR H 1 79 VAL H 3.700 . 5.500 4.375 4.225 4.523 . 0 0 "[ . 1 . 2 .]" 1
268 1 78 ILE H 1 79 VAL MG2 4.000 . 6.000 6.005 5.872 6.085 0.085 18 0 "[ . 1 . 2 .]" 1
269 1 79 VAL H 1 79 VAL MG2 2.100 . 2.700 3.757 3.728 3.768 1.068 11 25 [**********+************-*] 1
270 1 80 ASN H 1 81 LYS H 2.400 . 3.100 2.792 2.742 2.851 . 0 0 "[ . 1 . 2 .]" 1
271 1 81 LYS H 1 82 ALA H 2.100 . 2.600 2.836 2.761 2.950 0.350 22 0 "[ . 1 . 2 .]" 1
272 1 82 ALA H 1 84 LEU H 4.200 . 6.000 4.088 3.994 4.613 . 0 0 "[ . 1 . 2 .]" 1
273 1 81 LYS QB 1 82 ALA H 2.000 . 2.500 2.335 2.251 2.441 . 0 0 "[ . 1 . 2 .]" 1
274 1 79 VAL HA 1 84 LEU H 4.000 . 6.000 6.083 5.789 7.020 1.020 22 1 "[ . 1 . 2 + .]" 1
275 1 36 ALA H 1 36 ALA MB 2.600 . 3.400 2.117 2.032 2.249 . 0 0 "[ . 1 . 2 .]" 1
276 1 36 ALA MB 1 37 LEU H 3.100 . 4.300 2.866 2.747 2.961 . 0 0 "[ . 1 . 2 .]" 1
277 1 36 ALA HA 1 36 ALA MB 2.100 . 2.600 2.099 2.078 2.128 . 0 0 "[ . 1 . 2 .]" 1
278 1 35 ALA H 1 35 ALA HA 2.900 . 4.000 2.840 2.829 2.890 . 0 0 "[ . 1 . 2 .]" 1
279 1 28 ASN HA 1 29 SER H 3.100 . 4.300 2.526 2.503 2.543 . 0 0 "[ . 1 . 2 .]" 1
280 1 21 ALA HA 1 23 ALA H 5.300 . 6.000 5.591 3.912 6.118 0.118 10 0 "[ . 1 . 2 .]" 1
281 1 20 LEU HA 1 21 ALA H 3.300 . 4.600 3.469 3.442 3.488 . 0 0 "[ . 1 . 2 .]" 1
282 1 54 ALA H 1 54 ALA HA 3.000 . 4.200 2.818 2.783 2.888 . 0 0 "[ . 1 . 2 .]" 1
283 1 70 SER HA 1 72 GLU H 3.800 . 5.600 6.502 6.480 6.548 0.948 18 25 [*****************+*****-*] 1
284 1 54 ALA HA 1 57 ALA H 5.600 . 6.000 5.087 4.689 5.354 . 0 0 "[ . 1 . 2 .]" 1
285 1 80 ASN HA 1 81 LYS H 3.400 . 4.800 3.545 3.524 3.568 . 0 0 "[ . 1 . 2 .]" 1
286 1 75 ALA HA 1 78 ILE H 3.500 . 5.000 3.557 3.253 3.899 . 0 0 "[ . 1 . 2 .]" 1
287 1 80 ASN H 1 80 ASN HA 2.700 . 3.600 2.789 2.765 2.811 . 0 0 "[ . 1 . 2 .]" 1
288 1 66 PHE H 1 66 PHE HA 2.900 . 3.900 2.838 2.809 2.858 . 0 0 "[ . 1 . 2 .]" 1
289 1 71 ALA HA 1 75 ALA H 3.600 . 5.200 5.437 5.356 5.488 0.288 3 0 "[ . 1 . 2 .]" 1
290 1 71 ALA HA 1 74 VAL H 2.900 . 4.000 4.899 4.618 5.038 1.038 20 25 [*****************-*+*****] 1
291 1 36 ALA HA 1 37 LEU H 3.500 . 5.000 3.470 3.419 3.493 . 0 0 "[ . 1 . 2 .]" 1
292 1 69 LYS HA 1 73 GLU QB 3.800 . 5.600 7.181 7.004 7.329 1.729 4 25 [***+******-**************] 1
293 1 11 ASP HA 1 11 ASP QB 2.400 . 3.100 2.355 2.180 2.389 . 0 0 "[ . 1 . 2 .]" 1
294 1 56 ASP HB2 1 57 ALA H 2.800 . 3.800 3.778 3.608 3.943 0.143 8 0 "[ . 1 . 2 .]" 1
295 1 56 ASP H 1 56 ASP HB2 2.200 . 2.800 2.646 2.401 3.609 0.809 13 1 "[ . 1 + . 2 .]" 1
296 1 56 ASP H 1 56 ASP HB3 3.300 . 4.700 2.485 2.447 2.583 . 0 0 "[ . 1 . 2 .]" 1
297 1 25 PHE HB2 1 26 PRO HA 3.600 . 5.200 5.012 4.860 5.163 . 0 0 "[ . 1 . 2 .]" 1
298 1 25 PHE HA 1 25 PHE HB2 2.500 . 3.300 3.011 2.986 3.026 . 0 0 "[ . 1 . 2 .]" 1
299 1 73 GLU HA 1 76 ASP QB . . 3.100 3.265 2.625 3.970 0.870 23 9 "[* ** 1 * ** -* + .]" 1
300 1 42 ASP QB 1 55 SER QB 3.700 . 5.400 8.138 6.756 9.908 4.508 23 25 [******************-***+**] 1
301 1 35 ALA HA 1 36 ALA H 4.600 . 6.000 3.523 3.496 3.544 . 0 0 "[ . 1 . 2 .]" 1
302 1 56 ASP HA 1 56 ASP HB2 2.700 . 3.600 2.431 2.408 2.478 . 0 0 "[ . 1 . 2 .]" 1
303 1 56 ASP HA 1 56 ASP HB3 2.500 . 3.300 3.002 2.482 3.027 . 0 0 "[ . 1 . 2 .]" 1
304 1 34 MET HA 1 35 ALA H 4.000 . 6.000 3.536 3.495 3.563 . 0 0 "[ . 1 . 2 .]" 1
305 1 64 ASP HA 1 64 ASP HB3 2.500 . 3.300 2.667 2.250 3.016 . 0 0 "[ . 1 . 2 .]" 1
306 1 64 ASP HA 1 64 ASP HB2 3.000 . 4.100 2.666 2.253 3.015 . 0 0 "[ . 1 . 2 .]" 1
307 1 65 ASP HA 1 65 ASP QB 3.000 . 3.300 2.340 2.177 2.374 . 0 0 "[ . 1 . 2 .]" 1
308 1 69 LYS HA 1 70 SER H 2.800 . 3.800 2.203 2.164 2.230 . 0 0 "[ . 1 . 2 .]" 1
309 1 69 LYS H 1 69 LYS HA 2.800 . 3.800 2.865 2.851 2.871 . 0 0 "[ . 1 . 2 .]" 1
310 1 47 SER H 1 47 SER HA 3.000 . 4.200 2.857 2.848 2.868 . 0 0 "[ . 1 . 2 .]" 1
311 1 47 SER HA 1 47 SER QB 2.600 . 3.500 2.178 2.172 2.183 . 0 0 "[ . 1 . 2 .]" 1
312 1 69 LYS HA 1 69 LYS QB 2.500 . 3.300 2.533 2.530 2.538 . 0 0 "[ . 1 . 2 .]" 1
313 1 76 ASP HA 1 79 VAL MG2 2.300 . 3.000 4.591 4.167 4.859 1.859 15 25 [*******-******+**********] 1
314 1 81 LYS H 1 81 LYS HA 2.700 . 3.600 2.807 2.767 2.822 . 0 0 "[ . 1 . 2 .]" 1
315 1 10 GLU HA 1 13 ARG H 4.200 . 6.000 4.139 4.056 4.241 . 0 0 "[ . 1 . 2 .]" 1
316 1 28 ASN H 1 28 ASN HA 2.900 . 3.900 2.363 2.352 2.380 . 0 0 "[ . 1 . 2 .]" 1
317 1 46 LYS HA 1 46 LYS QB 2.500 . 3.300 2.349 2.317 2.363 . 0 0 "[ . 1 . 2 .]" 1
318 1 46 LYS QB 1 51 GLU HA 2.400 . 3.100 8.944 8.471 9.338 6.238 21 25 [-*******************+****] 1
319 1 44 THR MG 1 46 LYS HA 3.900 . 5.800 4.810 4.439 5.186 . 0 0 "[ . 1 . 2 .]" 1
320 1 44 THR MG 1 51 GLU HA 3.200 . 4.500 12.516 11.825 13.087 8.587 21 25 [******************-*+****] 1
321 1 66 PHE HA 1 66 PHE QB 2.400 . 3.100 2.348 2.337 2.381 . 0 0 "[ . 1 . 2 .]" 1
322 1 39 ASN HA 1 40 GLY H 2.900 . 4.000 3.539 3.108 3.603 . 0 0 "[ . 1 . 2 .]" 1
323 1 39 ASN HA 1 39 ASN QB 2.600 . 3.400 2.183 2.161 2.235 . 0 0 "[ . 1 . 2 .]" 1
324 1 66 PHE QB 1 67 PRO HA 2.900 . 4.000 4.151 4.024 4.208 0.208 22 0 "[ . 1 . 2 .]" 1
325 1 39 ASN QB 1 43 THR HA 3.900 . 4.700 7.569 6.572 8.271 3.571 19 25 [*******-**********+******] 1
326 1 79 VAL MG2 1 80 ASN HA 3.800 . 5.600 3.296 3.167 3.428 . 0 0 "[ . 1 . 2 .]" 1
327 1 63 ALA HA 1 66 PHE QB 3.700 . 5.400 4.863 4.695 4.975 . 0 0 "[ . 1 . 2 .]" 1
328 1 29 SER HA 1 29 SER QB 3.900 . 5.800 2.489 2.483 2.495 . 0 0 "[ . 1 . 2 .]" 1
329 1 29 SER QB 1 65 ASP QB 6.000 . 6.000 11.105 10.914 11.336 5.336 2 25 [*+******************-****] 1
330 1 50 VAL HA 1 51 GLU H 2.000 . 2.500 3.465 2.960 3.554 1.054 19 23 "[*** -******* *****+******]" 1
331 1 68 PHE HA 1 69 LYS HA 3.400 . 4.800 4.557 4.538 4.573 . 0 0 "[ . 1 . 2 .]" 1
332 1 31 GLU HA 1 34 MET H 3.600 . 5.300 3.908 3.823 3.949 . 0 0 "[ . 1 . 2 .]" 1
333 1 79 VAL H 1 79 VAL HB 3.200 . 4.500 2.483 2.375 2.522 . 0 0 "[ . 1 . 2 .]" 1
334 1 79 VAL HB 1 84 LEU H 3.000 . 4.100 7.290 7.032 8.554 4.454 22 25 [*****************-***+***] 1
335 1 73 GLU H 1 73 GLU QB 2.700 . 3.600 2.543 2.495 2.588 . 0 0 "[ . 1 . 2 .]" 1
336 1 79 VAL HA 1 79 VAL HB 2.300 . 2.900 3.019 3.012 3.023 0.123 11 0 "[ . 1 . 2 .]" 1
337 1 55 SER HA 1 56 ASP H 4.500 . 6.000 3.534 3.487 3.585 . 0 0 "[ . 1 . 2 .]" 1
338 1 30 PRO QB 1 31 GLU HA 3.000 . 4.100 4.875 4.822 4.962 0.862 24 25 [****-******************+*] 1
339 1 31 GLU HA 1 31 GLU QG 2.600 . 3.400 2.887 2.836 2.914 . 0 0 "[ . 1 . 2 .]" 1
340 1 31 GLU HA 1 31 GLU HB2 2.800 . 3.800 2.979 2.972 2.987 . 0 0 "[ . 1 . 2 .]" 1
341 1 72 GLU HA 1 72 GLU QB . . 2.500 2.245 2.138 2.498 . 0 0 "[ . 1 . 2 .]" 1
342 1 31 GLU HA 1 31 GLU HB3 2.400 . 3.100 2.308 2.302 2.313 . 0 0 "[ . 1 . 2 .]" 1
343 1 31 GLU HA 1 34 MET QB 3.500 . 5.000 3.798 3.755 3.852 . 0 0 "[ . 1 . 2 .]" 1
344 1 17 ILE QG 1 72 GLU HA 2.900 . 4.000 8.586 8.286 9.189 5.189 22 25 [**-******************+***] 1
345 1 27 ILE HA 1 32 GLU QB 3.500 . 5.000 11.508 11.407 11.676 6.676 10 25 [*********+*****-*********] 1
346 1 30 PRO QB 1 55 SER QB 4.600 . 6.000 7.285 6.451 8.175 2.175 24 24 "[*********-***** *******+*]" 1
347 1 60 VAL HA 1 61 LEU H 3.100 . 4.300 3.491 3.469 3.520 . 0 0 "[ . 1 . 2 .]" 1
348 1 44 THR HA 1 45 CYS H 2.200 . 2.800 2.194 2.163 2.260 . 0 0 "[ . 1 . 2 .]" 1
349 1 55 SER HA 1 55 SER QB 2.300 . 2.900 2.270 2.137 2.501 . 0 0 "[ . 1 . 2 .]" 1
350 1 67 PRO HA 1 67 PRO QB 2.200 . 2.800 2.523 2.488 2.536 . 0 0 "[ . 1 . 2 .]" 1
351 1 44 THR HA 1 44 THR MG 2.700 . 3.600 3.207 3.198 3.217 . 0 0 "[ . 1 . 2 .]" 1
352 1 17 ILE HA 1 18 GLY H 3.100 . 4.300 3.558 3.543 3.585 . 0 0 "[ . 1 . 2 .]" 1
353 1 17 ILE H 1 17 ILE HA 2.600 . 3.400 2.846 2.840 2.857 . 0 0 "[ . 1 . 2 .]" 1
354 1 16 ILE H 1 16 ILE HA 2.500 . 3.300 2.833 2.820 2.847 . 0 0 "[ . 1 . 2 .]" 1
355 1 16 ILE HA 1 19 ALA H 2.900 . 4.000 3.823 3.582 3.999 . 0 0 "[ . 1 . 2 .]" 1
356 1 70 SER QB 1 72 GLU QB 4.500 . 6.000 7.452 7.265 7.806 1.806 13 25 [************+********-***] 1
357 1 17 ILE HA 1 20 LEU QB 3.400 . 4.800 2.469 1.940 3.177 0.060 2 0 "[ . 1 . 2 .]" 1
358 1 79 VAL HA 1 79 VAL MG2 3.000 . 4.100 2.452 2.361 2.506 . 0 0 "[ . 1 . 2 .]" 1
359 1 70 SER HA 1 70 SER QB 2.300 . 2.600 2.385 2.328 2.457 . 0 0 "[ . 1 . 2 .]" 1
360 1 77 THR HA 1 78 ILE H 3.000 . 4.200 3.526 3.498 3.549 . 0 0 "[ . 1 . 2 .]" 1
361 1 10 GLU HA 1 10 GLU QG 3.100 . 4.300 2.546 2.455 2.654 . 0 0 "[ . 1 . 2 .]" 1
362 1 78 ILE HA 1 78 ILE HB 2.500 . 3.300 3.023 3.018 3.026 . 0 0 "[ . 1 . 2 .]" 1
363 1 30 PRO HA 1 30 PRO QB 2.000 . 2.500 2.192 2.186 2.195 . 0 0 "[ . 1 . 2 .]" 1
364 1 74 VAL HA 1 75 ALA H 3.900 . 5.800 3.487 3.466 3.528 . 0 0 "[ . 1 . 2 .]" 1
365 1 30 PRO HA 1 33 LEU H 4.900 . 6.000 5.057 4.945 5.132 . 0 0 "[ . 1 . 2 .]" 1
366 1 43 THR H 1 43 THR HA 2.800 . 3.800 2.422 2.210 2.777 . 0 0 "[ . 1 . 2 .]" 1
367 1 44 THR HB 1 44 THR MG 2.200 . 2.800 2.124 2.088 2.138 . 0 0 "[ . 1 . 2 .]" 1
368 1 34 MET HA 1 34 MET QB 3.000 . 4.100 2.173 2.161 2.176 . 0 0 "[ . 1 . 2 .]" 1
369 1 25 PHE HA 1 25 PHE HB3 2.700 . 3.600 2.618 2.559 2.686 . 0 0 "[ . 1 . 2 .]" 1
370 1 68 PHE HA 1 68 PHE QB 2.600 . 3.400 2.181 2.169 2.191 . 0 0 "[ . 1 . 2 .]" 1
371 1 68 PHE HA 1 73 GLU QB 5.100 . 6.000 11.957 11.795 12.121 6.121 2 25 [*+**-********************] 1
372 1 68 PHE HA 1 69 LYS QB 4.500 . 6.000 4.323 4.265 4.354 . 0 0 "[ . 1 . 2 .]" 1
373 1 72 GLU QB 1 73 GLU H 4.200 . 6.000 3.106 2.852 3.511 . 0 0 "[ . 1 . 2 .]" 1
374 1 32 GLU HA 1 32 GLU QG 2.200 . 2.800 2.741 2.458 3.047 0.247 20 0 "[ . 1 . 2 .]" 1
375 1 31 GLU HB2 1 31 GLU QG 2.000 . 2.500 2.251 2.243 2.263 . 0 0 "[ . 1 . 2 .]" 1
376 1 10 GLU QB 1 10 GLU QG 2.000 . 2.500 2.059 2.004 2.088 . 0 0 "[ . 1 . 2 .]" 1
377 1 31 GLU HB3 1 31 GLU QG 2.500 . 3.300 2.186 2.180 2.192 . 0 0 "[ . 1 . 2 .]" 1
378 1 78 ILE H 1 78 ILE HA 2.700 . 3.600 2.789 2.762 2.823 . 0 0 "[ . 1 . 2 .]" 1
379 1 73 GLU HA 1 73 GLU QB 2.000 . 2.500 2.177 2.172 2.183 . 0 0 "[ . 1 . 2 .]" 1
380 1 32 GLU HA 1 35 ALA H 3.000 . 4.200 4.394 4.249 4.522 0.322 4 0 "[ . 1 . 2 .]" 1
381 1 24 ASP QB 1 32 GLU QB 4.100 . 6.000 7.067 6.689 7.696 1.696 25 25 [***************-********+] 1
382 1 79 VAL HB 1 79 VAL MG2 1.800 . 2.200 2.110 2.082 2.130 . 0 0 "[ . 1 . 2 .]" 1
383 1 32 GLU QB 1 32 GLU QG 1.800 . 2.200 2.044 1.994 2.089 . 0 0 "[ . 1 . 2 .]" 1
384 1 32 GLU QG 1 36 ALA MB 2.700 . 3.600 5.925 5.711 6.320 2.720 20 25 [-******************+*****] 1
385 1 33 LEU HA 1 33 LEU QB 2.200 . 2.800 2.372 2.352 2.394 . 0 0 "[ . 1 . 2 .]" 1
386 1 33 LEU HA 1 36 ALA MB 2.800 . 3.800 2.117 1.923 2.377 . 0 0 "[ . 1 . 2 .]" 1
387 1 24 ASP QB 1 33 LEU HA 4.400 . 6.000 4.765 4.178 5.621 . 0 0 "[ . 1 . 2 .]" 1
388 1 51 GLU H 1 51 GLU HA 2.900 . 4.000 2.845 2.823 2.945 . 0 0 "[ . 1 . 2 .]" 1
389 1 46 LYS HA 1 51 GLU HA 2.200 . 2.800 10.172 9.899 10.626 7.826 21 25 [******************-*+****] 1
390 1 75 ALA HA 1 78 ILE HB 2.800 . 3.800 2.447 2.303 2.602 . 0 0 "[ . 1 . 2 .]" 1
391 1 81 LYS HA 1 81 LYS QB 2.300 . 3.000 2.401 2.378 2.437 . 0 0 "[ . 1 . 2 .]" 1
392 1 73 GLU QB 1 74 VAL H 3.400 . 4.900 3.331 3.285 3.406 . 0 0 "[ . 1 . 2 .]" 1
393 1 33 LEU H 1 33 LEU QB 2.600 . 3.400 2.183 2.164 2.201 . 0 0 "[ . 1 . 2 .]" 1
394 1 33 LEU QB 1 34 MET H 3.700 . 5.400 2.021 1.984 2.051 0.016 7 0 "[ . 1 . 2 .]" 1
395 1 26 PRO HA 1 27 ILE HA 4.500 . 6.000 4.392 4.357 4.407 . 0 0 "[ . 1 . 2 .]" 1
396 1 68 PHE HA 1 73 GLU QG 3.700 . 5.400 10.004 9.846 10.192 4.792 2 25 [*+*********-*************] 1
397 1 69 LYS HA 1 73 GLU QG 4.500 . 6.000 7.462 7.261 7.633 1.633 4 25 [***+******-**************] 1
398 1 26 PRO QB 1 70 SER QB 3.200 . 4.400 8.885 8.597 9.105 4.705 22 25 [*-*******************+***] 1
399 1 25 PHE HB2 1 26 PRO QB 4.600 . 6.000 4.548 4.185 4.709 . 0 0 "[ . 1 . 2 .]" 1
400 1 66 PHE H 1 67 PRO HA 3.900 . 5.800 4.960 4.874 5.087 . 0 0 "[ . 1 . 2 .]" 1
401 1 28 ASN HA 1 67 PRO QB 4.200 . 6.000 8.521 8.206 8.996 2.996 15 25 [-*************+**********] 1
402 1 13 ARG H 1 79 VAL MG2 5.000 . 6.000 8.631 7.885 9.391 3.391 25 25 [***************-********+] 1
403 1 76 ASP QB 1 79 VAL MG2 4.200 . 6.000 5.808 5.273 6.188 0.188 18 0 "[ . 1 . 2 .]" 1
404 1 34 MET QB 1 42 ASP QB 3.800 . 5.600 10.722 9.540 11.965 6.365 23 25 [********-*************+**] 1
405 1 33 LEU HA 1 34 MET H 5.000 . 6.000 3.590 3.579 3.604 . 0 0 "[ . 1 . 2 .]" 1
406 1 33 LEU HA 1 36 ALA H 3.800 . 5.600 3.079 2.947 3.192 . 0 0 "[ . 1 . 2 .]" 1
407 1 33 LEU H 1 33 LEU HA 2.700 . 3.600 2.850 2.839 2.855 . 0 0 "[ . 1 . 2 .]" 1
408 1 20 LEU HA 1 20 LEU QB 2.500 . 3.300 2.259 2.144 2.496 . 0 0 "[ . 1 . 2 .]" 1
409 1 17 ILE HA 1 17 ILE QG 2.600 . 3.400 2.369 2.320 2.400 . 0 0 "[ . 1 . 2 .]" 1
410 1 17 ILE HA 1 17 ILE MG 3.000 . 4.100 2.380 2.317 2.474 . 0 0 "[ . 1 . 2 .]" 1
411 1 17 ILE H 1 17 ILE MG 4.800 . 6.000 3.760 3.741 3.792 . 0 0 "[ . 1 . 2 .]" 1
412 1 17 ILE H 1 17 ILE MD 4.700 . 6.000 3.680 3.639 3.951 . 0 0 "[ . 1 . 2 .]" 1
413 1 17 ILE MD 1 75 ALA H 4.600 . 6.000 7.692 7.136 8.380 2.380 22 25 [**-******************+***] 1
414 1 17 ILE HB 1 17 ILE QG 3.400 . 4.900 2.354 2.305 2.364 . 0 0 "[ . 1 . 2 .]" 1
415 1 17 ILE HB 1 17 ILE MD 2.200 . 2.800 1.967 1.951 2.001 . 0 0 "[ . 1 . 2 .]" 1
416 1 17 ILE HA 1 17 ILE MD 3.800 . 5.600 3.801 3.723 3.817 . 0 0 "[ . 1 . 2 .]" 1
417 1 17 ILE MD 1 72 GLU HA 2.800 . 3.800 7.735 7.282 8.302 4.502 22 25 [*********************+*-*] 1
418 1 17 ILE MD 1 71 ALA HA 3.900 . 5.800 11.280 10.844 11.853 6.053 22 25 [*********************+*-*] 1
419 1 17 ILE HB 1 17 ILE MD 3.300 . 4.600 2.391 2.346 2.572 . 0 0 "[ . 1 . 2 .]" 1
420 1 17 ILE HA 1 17 ILE HB 2.900 . 4.000 3.017 3.012 3.020 . 0 0 "[ . 1 . 2 .]" 1
421 1 26 PRO HA 1 70 SER QB 5.400 . 6.000 10.913 10.704 11.154 5.154 10 25 [********-+***************] 1
422 1 79 VAL HB 1 80 ASN H 3.200 . 4.400 2.435 2.341 2.539 . 0 0 "[ . 1 . 2 .]" 1
423 1 17 ILE QG 1 17 ILE MG 3.100 . 4.300 2.340 2.281 2.406 . 0 0 "[ . 1 . 2 .]" 1
424 1 17 ILE MD 1 17 ILE MG 2.500 . 3.300 1.958 1.699 2.105 0.001 24 0 "[ . 1 . 2 .]" 1
425 1 54 ALA H 1 54 ALA HA 3.800 . 5.600 2.813 2.778 2.880 . 0 0 "[ . 1 . 2 .]" 1
426 1 47 SER H 1 51 GLU H 4.700 . 6.000 4.540 4.233 4.609 . 0 0 "[ . 1 . 2 .]" 1
427 1 17 ILE H 1 18 GLY H 2.500 . 3.300 2.411 2.362 2.462 . 0 0 "[ . 1 . 2 .]" 1
428 1 16 ILE HA 1 18 GLY H 3.600 . 5.200 3.443 3.411 3.491 . 0 0 "[ . 1 . 2 .]" 1
429 1 51 GLU H 1 52 LEU H 3.900 . 5.800 3.966 3.827 4.014 . 0 0 "[ . 1 . 2 .]" 1
430 1 20 LEU QB 1 71 ALA H 5.100 . 6.000 6.147 5.934 6.404 0.404 20 0 "[ . 1 . 2 .]" 1
431 1 45 CYS H 1 45 CYS HA 3.200 . 4.500 2.910 2.866 2.945 . 0 0 "[ . 1 . 2 .]" 1
432 1 16 ILE HA 1 19 ALA H 3.500 . 5.000 3.659 3.456 3.789 . 0 0 "[ . 1 . 2 .]" 1
433 1 16 ILE HA 1 21 ALA H 5.600 . 6.000 4.109 3.968 4.237 . 0 0 "[ . 1 . 2 .]" 1
434 1 79 VAL H 1 84 LEU H 4.300 . 6.000 4.073 3.980 4.598 . 0 0 "[ . 1 . 2 .]" 1
435 1 17 ILE HB 1 19 ALA H 4.500 . 6.000 4.295 4.011 4.603 . 0 0 "[ . 1 . 2 .]" 1
436 1 45 CYS H 1 46 LYS H 3.800 . 5.600 3.164 2.964 3.501 . 0 0 "[ . 1 . 2 .]" 1
437 1 54 ALA HA 1 57 ALA H 3.600 . 5.200 4.590 4.312 4.782 . 0 0 "[ . 1 . 2 .]" 1
438 1 52 LEU HA 1 58 GLY H 3.400 . 4.900 4.098 3.804 4.397 . 0 0 "[ . 1 . 2 .]" 1
439 1 12 ILE HA 1 16 ILE H 2.800 . 3.800 2.809 2.797 2.822 . 0 0 "[ . 1 . 2 .]" 1
440 1 24 ASP QB 1 33 LEU H 3.500 . 5.000 4.557 4.386 4.710 . 0 0 "[ . 1 . 2 .]" 1
441 1 30 PRO HA 1 33 LEU H 2.500 . 3.300 2.835 2.824 2.841 . 0 0 "[ . 1 . 2 .]" 1
442 1 23 ALA H 1 24 ASP H 5.200 . 6.000 2.575 1.893 2.829 . 0 0 "[ . 1 . 2 .]" 1
443 1 74 VAL HA 1 75 ALA H 3.600 . 5.200 3.385 3.334 3.437 . 0 0 "[ . 1 . 2 .]" 1
444 1 11 ASP H 1 13 ARG H 2.800 . 3.800 3.521 3.482 3.550 . 0 0 "[ . 1 . 2 .]" 1
445 1 29 SER QB 1 32 GLU H 2.600 . 3.500 2.766 2.757 2.784 . 0 0 "[ . 1 . 2 .]" 1
446 1 10 GLU HA 1 13 ARG H 3.300 . 4.700 3.899 3.848 3.966 . 0 0 "[ . 1 . 2 .]" 1
447 1 10 GLU H 1 12 ILE H 2.500 . 2.800 2.401 2.390 2.410 . 0 0 "[ . 1 . 2 .]" 1
448 1 10 GLU HA 1 12 ILE H 2.800 . 3.800 3.385 3.355 3.417 . 0 0 "[ . 1 . 2 .]" 1
449 1 75 ALA HA 1 78 ILE H 3.700 . 5.400 3.509 3.227 3.818 . 0 0 "[ . 1 . 2 .]" 1
450 1 12 ILE HA 1 13 ARG H 2.500 . 3.300 2.723 2.707 2.736 . 0 0 "[ . 1 . 2 .]" 1
451 1 74 VAL HA 1 78 ILE H 4.000 . 6.000 3.641 3.402 3.942 . 0 0 "[ . 1 . 2 .]" 1
452 1 35 ALA HA 1 36 ALA H 2.700 . 3.600 2.741 2.719 2.766 . 0 0 "[ . 1 . 2 .]" 1
453 1 64 ASP HB3 1 65 ASP H 3.800 . 5.600 3.264 2.579 3.905 . 0 0 "[ . 1 . 2 .]" 1
454 1 63 ALA HA 1 65 ASP H 2.900 . 3.900 2.740 2.725 2.762 . 0 0 "[ . 1 . 2 .]" 1
455 1 69 LYS QB 1 73 GLU H 3.400 . 4.800 3.096 2.847 3.487 . 0 0 "[ . 1 . 2 .]" 1
456 1 47 SER H 1 48 GLY H 3.700 . 5.400 3.893 3.691 3.980 . 0 0 "[ . 1 . 2 .]" 1
457 1 34 MET HA 1 35 ALA H 2.600 . 3.500 2.730 2.721 2.763 . 0 0 "[ . 1 . 2 .]" 1
458 1 35 ALA HA 1 37 LEU H 2.800 . 3.800 3.268 3.186 3.305 . 0 0 "[ . 1 . 2 .]" 1
459 1 30 PRO HA 1 35 ALA H 2.800 . 3.700 4.318 4.194 4.413 0.713 4 24 [***+*****-*********2*****] 1
460 1 31 GLU HB2 1 35 ALA H 3.700 . 5.400 4.545 4.511 4.590 . 0 0 "[ . 1 . 2 .]" 1
461 1 10 GLU H 1 12 ILE H 4.000 . 6.000 3.709 3.634 3.792 . 0 0 "[ . 1 . 2 .]" 1
462 1 10 GLU H 1 10 GLU HA 2.900 . 3.900 2.722 2.711 2.728 . 0 0 "[ . 1 . 2 .]" 1
463 1 13 ARG HA 1 76 ASP H 3.700 . 5.400 3.916 3.666 4.264 . 0 0 "[ . 1 . 2 .]" 1
464 1 74 VAL HA 1 77 THR H 2.900 . 4.000 2.617 2.389 3.150 . 0 0 "[ . 1 . 2 .]" 1
465 1 62 THR H 1 64 ASP H 4.100 . 6.000 6.821 6.263 7.459 1.459 1 15 "[+***** ***- .*** 2 **]" 1
466 1 62 THR H 1 63 ALA HA 5.400 . 6.000 5.042 4.304 5.461 . 0 0 "[ . 1 . 2 .]" 1
467 1 63 ALA HA 1 66 PHE H 3.300 . 4.700 3.366 3.339 3.390 . 0 0 "[ . 1 . 2 .]" 1
468 1 29 SER HA 1 34 MET H 3.600 . 5.200 3.748 3.679 3.780 . 0 0 "[ . 1 . 2 .]" 1
469 1 24 ASP QB 1 29 SER H 4.900 . 6.000 3.074 2.727 3.458 . 0 0 "[ . 1 . 2 .]" 1
470 1 29 SER H 1 32 GLU QG 3.600 . 5.200 8.040 7.876 8.203 3.003 11 25 [**********+*******-******] 1
471 1 42 ASP HA 1 55 SER H 4.300 . 6.000 6.260 6.180 6.325 0.325 14 0 "[ . 1 . 2 .]" 1
472 1 26 PRO HA 1 70 SER H 4.400 . 6.000 6.078 6.028 6.113 0.113 3 0 "[ . 1 . 2 .]" 1
473 1 12 ILE H 1 12 ILE HA 3.300 . 4.700 2.793 2.779 2.809 . 0 0 "[ . 1 . 2 .]" 1
474 1 31 GLU HG3 1 32 GLU H 2.600 . 3.500 2.559 2.538 2.580 . 0 0 "[ . 1 . 2 .]" 1
475 1 29 SER HA 1 33 LEU H 4.700 . 6.000 4.369 4.329 4.405 . 0 0 "[ . 1 . 2 .]" 1
476 1 33 LEU HA 1 36 ALA H 3.000 . 4.100 2.992 2.886 3.081 . 0 0 "[ . 1 . 2 .]" 1
477 1 32 GLU QB 1 36 ALA H 4.300 . 6.000 4.445 4.396 4.524 . 0 0 "[ . 1 . 2 .]" 1
478 1 70 SER H 1 72 GLU H 3.800 . 5.600 4.594 4.311 4.736 . 0 0 "[ . 1 . 2 .]" 1
479 1 11 ASP HA 1 12 ILE H 3.500 . 5.000 3.428 3.411 3.448 . 0 0 "[ . 1 . 2 .]" 1
480 1 63 ALA HA 1 64 ASP H 3.300 . 4.700 2.234 2.196 2.415 . 0 0 "[ . 1 . 2 .]" 1
481 1 64 ASP H 1 64 ASP HB3 3.500 . 5.000 2.711 2.098 3.302 . 0 0 "[ . 1 . 2 .]" 1
482 1 11 ASP HB2 1 12 ILE HA 6.000 . 6.000 4.063 3.893 4.396 . 0 0 "[ . 1 . 2 .]" 1
483 1 25 PHE H 1 25 PHE HA 2.600 . 3.500 2.476 2.463 2.482 . 0 0 "[ . 1 . 2 .]" 1
484 1 64 ASP H 1 64 ASP HA 3.200 . 4.500 2.666 2.630 2.725 . 0 0 "[ . 1 . 2 .]" 1
485 1 76 ASP HA 1 77 THR H 3.700 . 5.400 3.386 3.312 3.450 . 0 0 "[ . 1 . 2 .]" 1
486 1 10 GLU H 1 10 GLU HA 3.100 . 4.300 2.644 2.634 2.649 . 0 0 "[ . 1 . 2 .]" 1
487 1 46 LYS HA 1 47 SER H 2.200 . 2.800 2.683 2.488 2.768 . 0 0 "[ . 1 . 2 .]" 1
488 1 39 ASN QB 1 40 GLY H 4.700 . 6.000 2.859 2.278 3.951 . 0 0 "[ . 1 . 2 .]" 1
489 1 11 ASP QB 1 47 SER QB 3.500 . 5.000 8.177 8.084 8.282 3.282 5 25 [****+**************-*****] 1
490 1 12 ILE H 1 12 ILE HA 2.500 . 3.300 2.459 2.450 2.468 . 0 0 "[ . 1 . 2 .]" 1
491 1 11 ASP H 1 12 ILE HA 3.200 . 4.500 3.017 2.963 3.056 . 0 0 "[ . 1 . 2 .]" 1
492 1 10 GLU H 1 12 ILE HA 3.300 . 4.700 3.703 3.640 3.776 . 0 0 "[ . 1 . 2 .]" 1
493 1 25 PHE HA 1 32 GLU QB 3.600 . 5.200 5.516 5.413 5.609 0.409 7 0 "[ . 1 . 2 .]" 1
494 1 10 GLU QG 1 12 ILE HA 3.900 . 5.800 5.010 4.965 5.054 . 0 0 "[ . 1 . 2 .]" 1
495 1 79 VAL H 1 79 VAL HA 2.600 . 3.500 2.730 2.697 2.751 . 0 0 "[ . 1 . 2 .]" 1
496 1 17 ILE HA 1 17 ILE HB 2.200 . 2.800 2.303 1.918 2.753 . 0 0 "[ . 1 . 2 .]" 1
497 1 46 LYS QB 1 47 SER H 4.100 . 6.000 3.888 3.857 3.920 . 0 0 "[ . 1 . 2 .]" 1
498 1 10 GLU H 1 10 GLU HG2 4.700 . 6.000 3.759 3.682 3.816 . 0 0 "[ . 1 . 2 .]" 1
499 1 23 ALA H 1 32 GLU HG3 3.500 . 5.100 1.957 1.904 1.999 . 0 0 "[ . 1 . 2 .]" 1
500 1 77 THR H 1 77 THR HA 3.700 . 5.400 2.759 2.707 2.784 . 0 0 "[ . 1 . 2 .]" 1
501 1 25 PHE HA 1 32 GLU HG2 6.000 . 6.000 6.038 5.181 6.904 0.904 7 12 "[ * *.*+ * * . ***- **]" 1
502 1 30 PRO HA 1 34 MET QB 3.200 . 4.500 4.767 4.645 4.986 0.486 22 0 "[ . 1 . 2 .]" 1
503 1 12 ILE H 1 12 ILE HA 2.800 . 3.700 2.703 2.692 2.715 . 0 0 "[ . 1 . 2 .]" 1
504 1 34 MET HA 1 34 MET QB 2.500 . 3.300 2.094 2.014 2.149 . 0 0 "[ . 1 . 2 .]" 1
505 1 68 PHE QB 1 70 SER H 4.400 . 6.000 5.675 5.574 5.760 . 0 0 "[ . 1 . 2 .]" 1
506 1 20 LEU QB 1 68 PHE QB 3.300 . 4.600 5.307 5.269 5.329 0.729 11 25 [***-******+**************] 1
507 1 68 PHE QB 1 73 GLU QB 3.400 . 4.800 10.029 9.745 10.166 5.366 20 25 [*****************-*+*****] 1
508 1 10 GLU H 1 10 GLU HB2 2.300 . 2.900 2.250 2.225 2.265 . 0 0 "[ . 1 . 2 .]" 1
509 1 31 GLU HA 1 31 GLU HB3 2.800 . 3.700 2.307 2.301 2.313 . 0 0 "[ . 1 . 2 .]" 1
510 1 32 GLU HA 1 33 LEU H 3.400 . 4.800 2.742 2.732 2.747 . 0 0 "[ . 1 . 2 .]" 1
511 1 47 SER H 1 51 GLU HA 2.100 . 2.600 2.206 2.162 2.259 . 0 0 "[ . 1 . 2 .]" 1
512 1 30 PRO HA 1 34 MET QB 3.000 . 3.800 2.169 2.158 2.174 . 0 0 "[ . 1 . 2 .]" 1
513 1 70 SER QB 1 73 GLU QG 4.200 . 6.000 3.917 3.665 4.329 . 0 0 "[ . 1 . 2 .]" 1
514 1 12 ILE HA 1 79 VAL MG2 4.300 . 6.000 7.992 7.223 8.886 2.886 20 25 [***************-***+*****] 1
515 1 34 MET HA 1 37 LEU QB 5.200 . 6.000 2.795 2.373 3.405 . 0 0 "[ . 1 . 2 .]" 1
516 1 30 PRO HA 1 33 LEU HB3 2.600 . 3.500 2.370 2.349 2.391 . 0 0 "[ . 1 . 2 .]" 1
517 1 53 LYS H 1 78 ILE MG 3.100 . 4.300 3.129 3.026 3.216 . 0 0 "[ . 1 . 2 .]" 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 52
_Distance_constraint_stats_list.Viol_count 704
_Distance_constraint_stats_list.Viol_total 16918.693
_Distance_constraint_stats_list.Viol_max 4.761
_Distance_constraint_stats_list.Viol_rms 1.2949
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5206
_Distance_constraint_stats_list.Viol_average_violations_only 0.9613
_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 8 VAL 44.917 1.110 3 25 [**+***********-**********]
1 9 LYS 6.518 0.177 11 0 "[ . 1 . 2 .]"
1 10 GLU 0.943 0.072 24 0 "[ . 1 . 2 .]"
1 11 ASP 1.460 0.107 15 0 "[ . 1 . 2 .]"
1 12 ILE 45.819 1.110 3 25 [**+***********-**********]
1 13 ARG 6.652 0.177 11 0 "[ . 1 . 2 .]"
1 14 GLY 1.396 0.072 24 0 "[ . 1 . 2 .]"
1 15 GLN 1.787 0.107 15 0 "[ . 1 . 2 .]"
1 16 ILE 1.049 0.069 24 0 "[ . 1 . 2 .]"
1 17 ILE 1.315 0.083 24 0 "[ . 1 . 2 .]"
1 18 GLY 0.453 0.058 21 0 "[ . 1 . 2 .]"
1 19 ALA 0.326 0.032 12 0 "[ . 1 . 2 .]"
1 20 LEU 0.146 0.028 8 0 "[ . 1 . 2 .]"
1 21 ALA 1.181 0.083 24 0 "[ . 1 . 2 .]"
1 28 ASN 213.392 4.761 7 25 [******+**************-***]
1 29 SER 0.262 0.033 7 0 "[ . 1 . 2 .]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 31 GLU 0.490 0.056 19 0 "[ . 1 . 2 .]"
1 32 GLU 216.089 4.761 7 25 [******+**************-***]
1 33 LEU 1.623 0.103 20 0 "[ . 1 . 2 .]"
1 34 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 ALA 0.490 0.056 19 0 "[ . 1 . 2 .]"
1 36 ALA 2.697 0.140 5 0 "[ . 1 . 2 .]"
1 37 LEU 1.361 0.103 20 0 "[ . 1 . 2 .]"
1 53 LYS 179.749 4.069 19 25 [*******-**********+******]
1 57 ALA 179.749 4.069 19 25 [*******-**********+******]
1 69 LYS 214.061 4.705 20 25 [**********-********+*****]
1 70 SER 3.109 0.186 2 0 "[ . 1 . 2 .]"
1 71 ALA 1.046 0.071 3 0 "[ . 1 . 2 .]"
1 72 GLU 0.091 0.022 13 0 "[ . 1 . 2 .]"
1 73 GLU 215.441 4.705 20 25 [**********-********+*****]
1 74 VAL 4.676 0.186 2 0 "[ . 1 . 2 .]"
1 75 ALA 1.316 0.071 3 0 "[ . 1 . 2 .]"
1 76 ASP 0.321 0.030 24 0 "[ . 1 . 2 .]"
1 77 THR 1.443 0.060 5 0 "[ . 1 . 2 .]"
1 78 ILE 1.567 0.100 11 0 "[ . 1 . 2 .]"
1 79 VAL 0.270 0.037 4 0 "[ . 1 . 2 .]"
1 80 ASN 0.229 0.030 24 0 "[ . 1 . 2 .]"
1 81 LYS 0.063 0.018 23 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 8 VAL O 1 12 ILE H 1.800 . 2.300 3.229 3.061 3.410 1.110 3 25 [**+***********-**********] 2
2 1 8 VAL O 1 12 ILE N 2.800 2.800 3.300 4.168 3.980 4.375 1.075 3 25 [**+***********-**********] 2
3 1 9 LYS O 1 13 ARG H 1.800 . 2.300 1.697 1.679 1.714 0.121 11 0 "[ . 1 . 2 .]" 2
4 1 9 LYS O 1 13 ARG N 2.800 2.800 3.300 2.642 2.623 2.662 0.177 11 0 "[ . 1 . 2 .]" 2
5 1 10 GLU O 1 14 GLY H 1.800 . 2.300 2.338 2.305 2.372 0.072 24 0 "[ . 1 . 2 .]" 2
6 1 10 GLU O 1 14 GLY N 2.800 2.800 3.300 3.214 3.153 3.299 . 0 0 "[ . 1 . 2 .]" 2
7 1 11 ASP O 1 15 GLN H 1.800 . 2.300 2.115 2.075 2.148 . 0 0 "[ . 1 . 2 .]" 2
8 1 11 ASP O 1 15 GLN N 2.800 2.800 3.300 2.742 2.693 2.778 0.107 15 0 "[ . 1 . 2 .]" 2
9 1 12 ILE O 1 16 ILE H 1.800 . 2.300 2.336 2.316 2.369 0.069 24 0 "[ . 1 . 2 .]" 2
10 1 12 ILE O 1 16 ILE N 2.800 2.800 3.300 3.193 3.153 3.240 . 0 0 "[ . 1 . 2 .]" 2
11 1 13 ARG O 1 17 ILE H 1.800 . 2.300 2.047 1.926 2.265 . 0 0 "[ . 1 . 2 .]" 2
12 1 13 ARG O 1 17 ILE N 2.800 2.800 3.300 2.873 2.767 3.067 0.033 7 0 "[ . 1 . 2 .]" 2
13 1 14 GLY O 1 18 GLY H 1.800 . 2.300 1.863 1.793 2.000 0.007 24 0 "[ . 1 . 2 .]" 2
14 1 14 GLY O 1 18 GLY N 2.800 2.800 3.300 2.798 2.742 2.900 0.058 21 0 "[ . 1 . 2 .]" 2
15 1 15 GLN O 1 19 ALA H 1.800 . 2.300 2.304 2.238 2.332 0.032 12 0 "[ . 1 . 2 .]" 2
16 1 15 GLN O 1 19 ALA N 2.800 2.800 3.300 3.282 3.216 3.305 0.005 12 0 "[ . 1 . 2 .]" 2
17 1 16 ILE O 1 20 LEU H 1.800 . 2.300 2.077 1.941 2.303 0.003 21 0 "[ . 1 . 2 .]" 2
18 1 16 ILE O 1 20 LEU N 2.800 2.800 3.300 2.875 2.772 3.068 0.028 8 0 "[ . 1 . 2 .]" 2
19 1 17 ILE O 1 21 ALA H 1.800 . 2.300 2.038 1.945 2.118 . 0 0 "[ . 1 . 2 .]" 2
20 1 17 ILE O 1 21 ALA N 2.800 2.800 3.300 2.753 2.717 2.771 0.083 24 0 "[ . 1 . 2 .]" 2
21 1 28 ASN O 1 32 GLU H 1.800 . 2.300 6.930 6.754 7.061 4.761 7 25 [******+**************-***] 2
22 1 28 ASN O 1 32 GLU N 2.800 2.800 3.300 7.206 7.079 7.324 4.024 7 25 [******+**************-***] 2
23 1 29 SER O 1 33 LEU H 1.800 . 2.300 2.308 2.272 2.333 0.033 7 0 "[ . 1 . 2 .]" 2
24 1 29 SER O 1 33 LEU N 2.800 2.800 3.300 3.133 3.091 3.165 . 0 0 "[ . 1 . 2 .]" 2
25 1 30 PRO O 1 34 MET H 1.800 . 2.300 2.061 2.002 2.164 . 0 0 "[ . 1 . 2 .]" 2
26 1 30 PRO O 1 34 MET N 2.800 2.800 3.300 2.927 2.849 3.048 . 0 0 "[ . 1 . 2 .]" 2
27 1 31 GLU O 1 35 ALA H 1.800 . 2.300 1.972 1.934 2.106 . 0 0 "[ . 1 . 2 .]" 2
28 1 31 GLU O 1 35 ALA N 2.800 2.800 3.300 2.786 2.744 2.918 0.056 19 0 "[ . 1 . 2 .]" 2
29 1 32 GLU O 1 36 ALA H 1.800 . 2.300 2.408 2.371 2.440 0.140 5 0 "[ . 1 . 2 .]" 2
30 1 32 GLU O 1 36 ALA N 2.800 2.800 3.300 3.103 3.041 3.224 . 0 0 "[ . 1 . 2 .]" 2
31 1 33 LEU O 1 37 LEU H 1.800 . 2.300 1.963 1.922 2.035 . 0 0 "[ . 1 . 2 .]" 2
32 1 33 LEU O 1 37 LEU N 2.800 2.800 3.300 2.746 2.697 2.784 0.103 20 0 "[ . 1 . 2 .]" 2
33 1 53 LYS O 1 57 ALA H 1.800 . 2.300 5.995 5.676 6.369 4.069 19 25 [*******-**********+******] 2
34 1 53 LYS O 1 57 ALA N 2.800 2.800 3.300 6.795 6.499 7.091 3.791 19 25 [*******-**********+******] 2
35 1 69 LYS O 1 73 GLU H 1.800 . 2.300 6.892 6.738 7.005 4.705 20 25 [**********-********+*****] 2
36 1 69 LYS O 1 73 GLU N 2.800 2.800 3.300 7.271 7.137 7.375 4.075 13 25 [**********-*+************] 2
37 1 70 SER O 1 74 VAL H 1.800 . 2.300 2.421 2.389 2.486 0.186 2 0 "[ . 1 . 2 .]" 2
38 1 70 SER O 1 74 VAL N 2.800 2.800 3.300 3.284 3.183 3.327 0.027 11 0 "[ . 1 . 2 .]" 2
39 1 71 ALA O 1 75 ALA H 1.800 . 2.300 2.338 2.286 2.371 0.071 3 0 "[ . 1 . 2 .]" 2
40 1 71 ALA O 1 75 ALA N 2.800 2.800 3.300 3.290 3.234 3.312 0.012 3 0 "[ . 1 . 2 .]" 2
41 1 72 GLU O 1 76 ASP H 1.800 . 2.300 1.933 1.828 2.177 . 0 0 "[ . 1 . 2 .]" 2
42 1 72 GLU O 1 76 ASP N 2.800 2.800 3.300 2.857 2.778 3.124 0.022 13 0 "[ . 1 . 2 .]" 2
43 1 73 GLU O 1 77 THR H 1.800 . 2.300 2.341 2.308 2.360 0.060 5 0 "[ . 1 . 2 .]" 2
44 1 73 GLU O 1 77 THR N 2.800 2.800 3.300 3.306 3.238 3.340 0.040 23 0 "[ . 1 . 2 .]" 2
45 1 74 VAL O 1 78 ILE H 1.800 . 2.300 1.825 1.781 1.892 0.019 18 0 "[ . 1 . 2 .]" 2
46 1 74 VAL O 1 78 ILE N 2.800 2.800 3.300 2.739 2.700 2.815 0.100 11 0 "[ . 1 . 2 .]" 2
47 1 75 ALA O 1 79 VAL H 1.800 . 2.300 1.950 1.790 2.302 0.010 4 0 "[ . 1 . 2 .]" 2
48 1 75 ALA O 1 79 VAL N 2.800 2.800 3.300 2.909 2.763 3.249 0.037 4 0 "[ . 1 . 2 .]" 2
49 1 76 ASP O 1 80 ASN H 1.800 . 2.300 2.291 2.125 2.330 0.030 24 0 "[ . 1 . 2 .]" 2
50 1 76 ASP O 1 80 ASN N 2.800 2.800 3.300 3.259 3.093 3.305 0.005 20 0 "[ . 1 . 2 .]" 2
51 1 77 THR O 1 81 LYS H 1.800 . 2.300 2.058 1.855 2.318 0.018 23 0 "[ . 1 . 2 .]" 2
52 1 77 THR O 1 81 LYS N 2.800 2.800 3.300 2.976 2.786 3.220 0.014 10 0 "[ . 1 . 2 .]" 2
stop_
save_
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