NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404539 |
1x3q   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x3q
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 336
_Distance_constraint_stats_list.Viol_count 1974
_Distance_constraint_stats_list.Viol_total 71113.797
_Distance_constraint_stats_list.Viol_max 10.250
_Distance_constraint_stats_list.Viol_rms 1.3170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5291
_Distance_constraint_stats_list.Viol_average_violations_only 1.8013
_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 4 VAL 63.961 4.281 20 20 [-******************+]
1 5 PHE 104.595 5.460 20 20 [**************-****+]
1 7 TYR 133.868 3.313 15 20 [-*************+*****]
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 86.667 4.384 10 20 [*********+-*********]
1 10 VAL 96.154 4.951 18 20 [****-************+**]
1 11 ASP 157.014 2.100 15 20 [*********-****+*****]
1 12 GLU 170.067 3.090 8 20 [****-**+************]
1 13 ILE 140.462 3.236 19 20 [*****************-+*]
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 181.161 3.128 20 20 [**********-********+]
1 16 LYS 34.987 1.538 7 19 [-***.*+*************]
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 86.011 5.737 20 20 [**-****************+]
1 19 LYS 49.193 2.284 7 17 "[-**** +******** ***]"
1 20 GLY 29.219 1.271 14 18 "[********-****+* ***]"
1 21 LYS 28.990 2.284 7 17 "[***** +**-***** ***]"
1 22 ASP 392.996 7.692 18 20 [********-********+**]
1 23 VAL 63.531 4.256 15 20 [************-*+*****]
1 24 GLU 227.047 4.374 15 20 [**************+***-*]
1 25 TYR 318.609 3.682 8 20 [-******+************]
1 26 LEU 284.061 3.313 15 20 [*****-********+*****]
1 27 VAL 197.217 5.037 7 20 [***-**+*************]
1 28 ARG 251.202 3.310 16 20 [*************-*+****]
1 29 TRP 422.496 6.965 4 20 [***+******-*********]
1 30 LYS 98.297 2.817 19 20 [*******-**********+*]
1 31 ASP 65.025 3.310 16 20 [*************-*+****]
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 189.626 10.069 1 20 [+***********-*******]
1 34 ASP 325.178 10.250 1 20 [+************-******]
1 35 CYS 189.040 5.941 8 20 [*******+****-*******]
1 36 GLU 239.586 4.374 15 20 [**************+***-*]
1 37 TRP 731.377 7.692 18 20 [****-************+**]
1 38 VAL 630.532 10.250 1 20 [+*********-*********]
1 39 LYS 1.681 0.290 12 0 "[ . 1 . 2]"
1 40 GLY 59.041 3.029 20 20 [****************-**+]
1 41 VAL 84.139 4.601 8 20 [*******+*******-****]
1 42 HIS 98.153 4.635 8 20 [*******+**-*********]
1 43 VAL 31.833 1.740 8 20 [*******+**********-*]
1 44 ALA 3.886 0.443 8 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 128.615 2.601 2 20 [*+*******-**********]
1 47 VAL 145.066 4.601 8 20 [*******+*******-****]
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 39.905 1.262 2 19 "[*+*** ***-**********]"
1 50 ASP 47.037 1.488 4 19 "[***+* ******-*******]"
1 51 TYR 262.181 4.951 18 20 [*****************+-*]
1 52 GLU 0.226 0.226 20 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 3.979 0.282 6 0 "[ . 1 . 2]"
1 56 GLU 52.761 4.281 20 20 [******************-+]
1 57 TYR 92.921 5.460 20 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 1 29 TRP HE1 1 36 GLU QB 3.700 . 4.000 4.041 3.835 4.200 0.200 1 0 "[ . 1 . 2]" 1
2 1 25 TYR H 1 38 VAL H 3.700 . 5.400 4.466 4.112 4.651 . 0 0 "[ . 1 . 2]" 1
3 1 37 TRP QB 1 38 VAL H 3.700 . 5.400 2.790 1.842 3.369 0.158 19 0 "[ . 1 . 2]" 1
4 1 24 GLU QG 1 25 TYR H 4.900 . 6.000 3.764 1.923 4.429 . 0 0 "[ . 1 . 2]" 1
5 1 25 TYR H 1 36 GLU QB 4.200 . 6.000 9.054 8.787 9.213 3.213 11 20 [**********+******-**] 1
6 1 11 ASP H 1 29 TRP HZ3 4.200 . 6.000 6.940 6.280 7.301 1.301 3 17 "[**+*.** ** *****-***]" 1
7 1 11 ASP H 1 12 GLU H 2.200 . 2.800 1.920 1.759 2.082 0.041 13 0 "[ . 1 . 2]" 1
8 1 11 ASP H 1 28 ARG QG 4.800 . 6.000 2.884 2.472 3.288 . 0 0 "[ . 1 . 2]" 1
9 1 11 ASP H 1 26 LEU QB 3.700 . 5.800 7.282 5.613 7.741 1.941 8 18 "[*** ***+***-***** **]" 1
10 1 23 VAL H 1 24 GLU H 3.400 . 4.500 4.363 2.679 4.565 0.065 15 0 "[ . 1 . 2]" 1
11 1 14 VAL H 1 15 GLU H 2.700 . 3.500 2.000 1.877 2.224 . 0 0 "[ . 1 . 2]" 1
12 1 9 GLU QB 1 29 TRP H 3.400 . 6.000 4.894 3.604 5.799 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL HB 1 5 PHE H 2.700 . 3.600 2.104 1.829 3.048 . 0 0 "[ . 1 . 2]" 1
14 1 10 VAL H 1 11 ASP QB 4.000 . 5.500 4.930 4.796 5.035 . 0 0 "[ . 1 . 2]" 1
15 1 45 GLU HB2 1 46 ASP H 3.100 . 4.300 3.817 3.499 4.092 . 0 0 "[ . 1 . 2]" 1
16 1 16 LYS H 1 27 VAL HB 3.700 . 5.400 4.892 4.590 5.229 . 0 0 "[ . 1 . 2]" 1
17 1 53 ASP H 1 54 GLY H 3.000 . 4.000 3.030 2.711 3.845 . 0 0 "[ . 1 . 2]" 1
18 1 53 ASP H 1 53 ASP QB 2.500 . 3.300 2.181 2.021 2.486 . 0 0 "[ . 1 . 2]" 1
19 1 40 GLY H 1 40 GLY QA . . 2.700 2.279 2.178 2.425 . 0 0 "[ . 1 . 2]" 1
20 1 37 TRP H 1 37 TRP QB 3.300 . 4.000 2.324 2.055 2.868 . 0 0 "[ . 1 . 2]" 1
21 1 51 TYR QB 1 52 GLU H 3.100 . 4.300 2.168 2.096 2.329 . 0 0 "[ . 1 . 2]" 1
22 1 28 ARG QB 1 29 TRP H 2.700 . 3.300 2.651 1.840 2.953 0.060 8 0 "[ . 1 . 2]" 1
23 1 28 ARG QG 1 29 TRP H 2.600 . 3.500 3.180 3.059 3.308 . 0 0 "[ . 1 . 2]" 1
24 1 9 GLU H 1 10 VAL H 2.400 . 3.100 2.603 2.171 2.982 . 0 0 "[ . 1 . 2]" 1
25 1 43 VAL H 1 44 ALA H 3.500 . 4.000 3.123 2.822 3.266 . 0 0 "[ . 1 . 2]" 1
26 1 33 GLY H 1 34 ASP H 4.300 . 6.000 2.301 2.144 2.635 . 0 0 "[ . 1 . 2]" 1
27 1 51 TYR H 1 52 GLU H 2.700 . 3.500 2.744 2.200 2.991 . 0 0 "[ . 1 . 2]" 1
28 1 51 TYR QD 1 52 GLU H 3.700 . 4.500 2.975 2.487 3.379 . 0 0 "[ . 1 . 2]" 1
29 1 52 GLU H 1 53 ASP QB 5.200 . 6.000 4.098 3.896 4.297 . 0 0 "[ . 1 . 2]" 1
30 1 52 GLU H 1 52 GLU HG2 3.900 . 5.600 4.317 3.144 4.656 . 0 0 "[ . 1 . 2]" 1
31 1 13 ILE H 1 13 ILE HB 2.600 . 3.400 3.853 3.594 4.023 0.623 13 7 "[* *.* 1 *+ .* - 2]" 1
32 1 25 TYR QD 1 26 LEU H 3.000 . 4.100 4.629 4.457 4.821 0.721 8 14 "[* .-*+ * *********]" 1
33 1 28 ARG H 1 28 ARG QG 4.300 . 6.000 2.223 1.997 2.424 0.003 8 0 "[ . 1 . 2]" 1
34 1 27 VAL HB 1 28 ARG H 4.300 . 5.500 4.123 4.003 4.289 . 0 0 "[ . 1 . 2]" 1
35 1 35 CYS QB 1 36 GLU H 3.000 . 4.000 2.969 2.644 3.479 . 0 0 "[ . 1 . 2]" 1
36 1 49 LYS H 1 53 ASP QB 4.200 . 6.000 5.292 4.479 5.875 . 0 0 "[ . 1 . 2]" 1
37 1 27 VAL H 1 27 VAL HB 2.800 . 3.800 2.772 2.675 2.837 . 0 0 "[ . 1 . 2]" 1
38 1 49 LYS H 1 50 ASP H 2.700 . 3.000 2.854 2.673 3.068 0.068 18 0 "[ . 1 . 2]" 1
39 1 48 ALA H 1 49 LYS H 2.400 . 3.000 2.384 2.177 2.620 . 0 0 "[ . 1 . 2]" 1
40 1 42 HIS H 1 42 HIS HD2 3.800 . 4.800 3.561 1.982 4.312 0.018 3 0 "[ . 1 . 2]" 1
41 1 41 VAL H 1 42 HIS H 3.100 . 3.500 2.824 2.673 3.092 . 0 0 "[ . 1 . 2]" 1
42 1 56 GLU H 1 57 TYR H 3.400 . 4.000 3.499 2.959 3.673 . 0 0 "[ . 1 . 2]" 1
43 1 55 LEU HB2 1 56 GLU H 3.400 . 4.800 2.158 1.904 3.713 0.096 20 0 "[ . 1 . 2]" 1
44 1 7 TYR QD 1 8 ALA H 4.200 . 6.000 4.213 2.474 4.819 . 0 0 "[ . 1 . 2]" 1
45 1 20 GLY QA 1 21 LYS H 3.800 . 5.600 2.793 2.699 2.885 . 0 0 "[ . 1 . 2]" 1
46 1 50 ASP H 1 50 ASP QB 2.200 . 2.700 2.307 2.121 2.493 . 0 0 "[ . 1 . 2]" 1
47 1 50 ASP H 1 51 TYR H 2.600 . 3.000 2.646 2.428 2.863 . 0 0 "[ . 1 . 2]" 1
48 1 42 HIS H 1 43 VAL H 2.700 . 3.400 2.269 2.102 2.385 . 0 0 "[ . 1 . 2]" 1
49 1 47 VAL HA 1 48 ALA H 3.700 . 5.400 3.534 3.494 3.558 . 0 0 "[ . 1 . 2]" 1
50 1 43 VAL H 1 43 VAL HB 2.400 . 2.800 2.623 2.561 2.699 . 0 0 "[ . 1 . 2]" 1
51 1 47 VAL H 1 48 ALA H 2.800 . 3.000 2.122 1.919 2.430 . 0 0 "[ . 1 . 2]" 1
52 1 57 TYR H 1 57 TYR QD 3.700 . 5.200 3.919 2.812 4.192 . 0 0 "[ . 1 . 2]" 1
53 1 25 TYR QD 1 51 TYR H 2.800 . 6.000 5.581 5.150 6.042 0.042 3 0 "[ . 1 . 2]" 1
54 1 41 VAL H 1 41 VAL HB 2.900 . 3.900 2.535 2.437 2.654 . 0 0 "[ . 1 . 2]" 1
55 1 41 VAL H 1 47 VAL HB 3.500 . 5.000 9.013 8.766 9.601 4.601 8 20 [*******+*******-****] 1
56 1 51 TYR H 1 51 TYR QE 4.100 . 6.000 6.182 6.080 6.287 0.287 2 0 "[ . 1 . 2]" 1
57 1 28 ARG QD 1 29 TRP HZ3 4.000 . 6.000 4.378 3.217 5.369 . 0 0 "[ . 1 . 2]" 1
58 1 9 GLU QB 1 29 TRP HZ3 3.200 . 4.400 7.816 6.337 8.784 4.384 10 20 [*******-*+**********] 1
59 1 28 ARG QG 1 29 TRP HZ3 3.400 . 4.900 4.707 3.688 4.993 0.093 18 0 "[ . 1 . 2]" 1
60 1 51 TYR H 1 51 TYR QB 2.200 . 2.800 2.205 2.089 2.385 . 0 0 "[ . 1 . 2]" 1
61 1 29 TRP HZ3 1 31 ASP HB2 4.400 . 6.000 3.164 1.869 4.386 0.131 12 0 "[ . 1 . 2]" 1
62 1 54 GLY H 1 55 LEU H 2.900 . 4.000 2.493 2.309 2.845 . 0 0 "[ . 1 . 2]" 1
63 1 55 LEU H 1 56 GLU H 3.400 . 4.000 3.106 2.437 3.886 . 0 0 "[ . 1 . 2]" 1
64 1 54 GLY HA2 1 55 LEU H 4.500 . 6.000 3.531 3.040 3.600 . 0 0 "[ . 1 . 2]" 1
65 1 15 GLU H 1 15 GLU HA 2.900 . 3.500 2.935 2.897 2.965 . 0 0 "[ . 1 . 2]" 1
66 1 55 LEU H 1 55 LEU HB2 2.900 . 3.300 2.569 2.252 3.582 0.282 6 0 "[ . 1 . 2]" 1
67 1 7 TYR QD 1 9 GLU QB 3.800 . 5.600 4.804 4.531 5.136 . 0 0 "[ . 1 . 2]" 1
68 1 47 VAL H 1 47 VAL HB 2.200 . 2.800 2.574 2.483 2.660 . 0 0 "[ . 1 . 2]" 1
69 1 15 GLU H 1 15 GLU QG 2.300 . 2.800 4.006 3.627 4.289 1.489 7 20 [******+***-*********] 1
70 1 11 ASP QB 1 12 GLU H 2.200 . 2.800 3.189 3.013 3.730 0.930 13 3 "[ . - +*. 2]" 1
71 1 7 TYR QD 1 9 GLU QG 3.600 . 4.900 3.174 2.585 3.608 . 0 0 "[ . 1 . 2]" 1
72 1 46 ASP H 1 47 VAL H 2.500 . 3.000 2.866 2.678 2.983 . 0 0 "[ . 1 . 2]" 1
73 1 37 TRP HD1 1 42 HIS QB 3.300 . 5.600 9.076 8.596 10.235 4.635 8 20 [*******+********-***] 1
74 1 47 VAL H 1 47 VAL HA 2.800 . 3.400 2.939 2.892 2.959 . 0 0 "[ . 1 . 2]" 1
75 1 7 TYR HB2 1 7 TYR QD 2.200 . 2.500 2.352 2.260 2.534 0.034 15 0 "[ . 1 . 2]" 1
76 1 29 TRP HD1 1 38 VAL HA 4.100 . 6.000 10.165 9.747 10.526 4.526 5 20 [-***+***************] 1
77 1 29 TRP HB2 1 29 TRP HD1 3.800 . 5.600 2.732 2.569 2.877 . 0 0 "[ . 1 . 2]" 1
78 1 29 TRP HD1 1 35 CYS QB 3.600 . 5.200 10.286 9.614 11.141 5.941 8 20 [*****-*+************] 1
79 1 39 LYS H 1 42 HIS HD2 3.700 . 5.000 4.574 3.218 5.290 0.290 12 0 "[ . 1 . 2]" 1
80 1 42 HIS QB 1 42 HIS HD2 3.400 . 4.800 2.685 2.598 3.292 . 0 0 "[ . 1 . 2]" 1
81 1 51 TYR QD 1 52 GLU HB2 3.400 . 4.500 2.893 1.943 3.400 . 0 0 "[ . 1 . 2]" 1
82 1 39 LYS HB2 1 42 HIS HD2 3.500 . 5.000 3.035 1.851 4.832 0.149 12 0 "[ . 1 . 2]" 1
83 1 23 VAL H 1 23 VAL HB 2.500 . 3.300 2.867 2.439 3.273 . 0 0 "[ . 1 . 2]" 1
84 1 51 TYR H 1 51 TYR QD 4.400 . 5.500 4.152 4.047 4.240 . 0 0 "[ . 1 . 2]" 1
85 1 25 TYR QE 1 51 TYR QD 2.700 . 3.600 6.209 4.958 7.282 3.682 8 20 [*******+**-*********] 1
86 1 51 TYR QD 1 52 GLU HA 3.800 . 5.600 3.110 2.523 3.865 . 0 0 "[ . 1 . 2]" 1
87 1 23 VAL H 1 37 TRP QB 3.600 . 5.300 8.330 6.626 9.556 4.256 15 20 [************-*+*****] 1
88 1 22 ASP H 1 23 VAL H 3.100 . 3.500 3.466 2.571 3.695 0.195 6 0 "[ . 1 . 2]" 1
89 1 25 TYR QD 1 40 GLY QA 3.200 . 3.800 2.003 1.784 2.507 0.216 8 0 "[ . 1 . 2]" 1
90 1 25 TYR QD 1 51 TYR QB 3.900 . 4.800 4.611 3.686 5.180 0.380 6 0 "[ . 1 . 2]" 1
91 1 25 TYR QD 1 46 ASP QB 2.700 . 6.000 7.088 6.755 7.444 1.444 17 20 [***************-+***] 1
92 1 15 GLU QG 1 25 TYR QE 3.500 . 5.100 6.822 6.310 7.296 2.196 8 20 [*******+-***********] 1
93 1 25 TYR HB2 1 25 TYR QD 2.500 . 2.700 2.532 2.446 2.615 . 0 0 "[ . 1 . 2]" 1
94 1 25 TYR QD 1 43 VAL HB 3.200 . 4.400 3.371 3.005 3.542 . 0 0 "[ . 1 . 2]" 1
95 1 25 TYR QE 1 43 VAL HB 3.900 . 5.400 5.380 4.646 5.644 0.244 4 0 "[ . 1 . 2]" 1
96 1 25 TYR QD 1 49 LYS QB 3.300 . 6.000 4.395 3.738 4.875 . 0 0 "[ . 1 . 2]" 1
97 1 7 TYR QE 1 56 GLU HB2 3.400 . 6.000 2.446 1.835 3.809 . 0 0 "[ . 1 . 2]" 1
98 1 25 TYR QD 1 27 VAL HB 4.000 . 6.000 6.967 6.622 7.540 1.540 8 20 [******-+************] 1
99 1 25 TYR QE 1 26 LEU H 4.000 . 6.000 6.338 6.175 6.617 0.617 8 1 "[ . + 1 . 2]" 1
100 1 16 LYS HA 1 25 TYR QD . . 2.800 4.087 3.181 4.338 1.538 7 19 [****.*+****-********] 1
101 1 16 LYS HA 1 17 ARG H 2.500 . 3.000 2.702 2.294 2.985 . 0 0 "[ . 1 . 2]" 1
102 1 16 LYS H 1 16 LYS HA 2.900 . 3.600 2.827 2.770 2.912 . 0 0 "[ . 1 . 2]" 1
103 1 16 LYS HA 1 26 LEU H 3.200 . 4.500 4.180 3.805 4.515 0.015 19 0 "[ . 1 . 2]" 1
104 1 16 LYS HA 1 25 TYR QE 3.000 . 4.100 4.499 3.791 4.997 0.897 8 7 "[-** . + 1* ** 2]" 1
105 1 5 PHE H 1 5 PHE HA . . 3.000 2.786 2.696 2.887 . 0 0 "[ . 1 . 2]" 1
106 1 25 TYR HA 1 25 TYR QD . . 2.500 3.125 3.038 3.228 0.728 8 20 [*******+********-***] 1
107 1 25 TYR H 1 25 TYR HA 2.800 . 3.000 2.925 2.908 2.935 . 0 0 "[ . 1 . 2]" 1
108 1 25 TYR HA 1 25 TYR QE 3.900 . 5.800 4.645 4.525 4.855 . 0 0 "[ . 1 . 2]" 1
109 1 16 LYS HA 1 25 TYR HA 4.000 . 4.500 3.058 2.617 3.476 . 0 0 "[ . 1 . 2]" 1
110 1 37 TRP HA 1 38 VAL H 2.800 . 3.000 2.340 2.070 2.708 . 0 0 "[ . 1 . 2]" 1
111 1 25 TYR H 1 37 TRP HA 4.700 . 5.000 5.484 5.224 5.709 0.709 15 11 "[*** -* * *+* **]" 1
112 1 39 LYS HA 1 40 GLY H 2.300 . 3.000 2.154 2.057 2.366 . 0 0 "[ . 1 . 2]" 1
113 1 18 GLY H 1 22 ASP HA 2.500 . 6.000 7.024 6.230 7.993 1.993 8 15 "[**-*** +** * **** *]" 1
114 1 20 GLY H 1 22 ASP HA 2.200 . 6.000 6.937 6.067 7.271 1.271 14 18 "[*******-*****+* ***]" 1
115 1 34 ASP H 1 34 ASP HA 2.500 . 2.500 2.938 2.924 2.949 0.449 9 0 "[ . 1 . 2]" 1
116 1 36 GLU H 1 37 TRP HA 4.000 . 6.000 4.360 4.118 4.527 . 0 0 "[ . 1 . 2]" 1
117 1 37 TRP HA 1 37 TRP QB 3.000 . 4.100 2.180 2.083 2.403 . 0 0 "[ . 1 . 2]" 1
118 1 24 GLU HA 1 24 GLU QG 3.300 . 3.600 3.026 2.059 3.434 . 0 0 "[ . 1 . 2]" 1
119 1 42 HIS HA 1 43 VAL H 3.300 . 4.000 3.503 3.378 3.543 . 0 0 "[ . 1 . 2]" 1
120 1 42 HIS HA 1 42 HIS QB 3.800 . 5.600 2.279 2.162 2.385 . 0 0 "[ . 1 . 2]" 1
121 1 28 ARG QD 1 29 TRP HA 3.400 . 4.800 3.258 2.934 3.575 . 0 0 "[ . 1 . 2]" 1
122 1 24 GLU HA 1 36 GLU QB 3.200 . 6.000 10.077 9.833 10.374 4.374 15 20 [**************+**-**] 1
123 1 28 ARG QG 1 29 TRP HA 4.700 . 6.000 4.942 4.846 5.081 . 0 0 "[ . 1 . 2]" 1
124 1 38 VAL HA 1 39 LYS H 2.600 . 3.500 2.929 2.264 3.524 0.024 4 0 "[ . 1 . 2]" 1
125 1 11 ASP H 1 11 ASP HA 3.000 . 3.000 2.670 2.616 2.753 . 0 0 "[ . 1 . 2]" 1
126 1 22 ASP HA 1 24 GLU H 4.000 . 4.700 6.054 4.089 6.298 1.598 1 19 "[+*********** -******]" 1
127 1 22 ASP HA 1 23 VAL H 2.600 . 3.000 2.172 1.913 2.544 . 0 0 "[ . 1 . 2]" 1
128 1 24 GLU HA 1 39 LYS HA 5.100 . 6.000 3.788 3.400 4.220 . 0 0 "[ . 1 . 2]" 1
129 1 20 GLY QA 1 22 ASP HA 2.300 . 6.000 6.495 5.411 6.823 0.823 2 11 "[ + *. **-* **** *]" 1
130 1 34 ASP HA 1 34 ASP HB2 2.900 . 3.900 2.748 2.455 3.036 . 0 0 "[ . 1 . 2]" 1
131 1 22 ASP HA 1 22 ASP HB2 2.600 . 3.400 2.665 2.408 3.035 . 0 0 "[ . 1 . 2]" 1
132 1 19 LYS H 1 22 ASP HA 3.000 . 4.100 5.040 3.143 5.653 1.553 2 16 "[-+*** * ******* ***]" 1
133 1 22 ASP H 1 22 ASP HA 2.500 . 3.000 2.740 2.260 2.873 . 0 0 "[ . 1 . 2]" 1
134 1 22 ASP HA 1 37 TRP HZ2 3.600 . 5.200 8.956 5.041 12.035 6.835 11 16 "[****** **-+* ** ***]" 1
135 1 22 ASP HA 1 37 TRP HH2 3.700 . 5.400 10.637 6.957 12.727 7.327 4 20 [***+************-***] 1
136 1 38 VAL H 1 38 VAL HA 3.000 . 4.100 2.901 2.871 2.940 . 0 0 "[ . 1 . 2]" 1
137 1 24 GLU HA 1 40 GLY QA 2.800 . 6.000 1.881 1.744 2.028 . 0 0 "[ . 1 . 2]" 1
138 1 17 ARG HA 1 18 GLY QA 3.700 . 5.400 4.007 3.882 4.429 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLY QA 1 37 TRP HA 3.200 . 6.000 9.274 7.329 11.737 5.737 20 20 [*************-*****+] 1
140 1 38 VAL HA 1 38 VAL HB 2.800 . 3.800 2.828 2.388 3.020 . 0 0 "[ . 1 . 2]" 1
141 1 19 LYS HA 1 19 LYS HB2 2.700 . 3.600 2.877 2.426 3.027 . 0 0 "[ . 1 . 2]" 1
142 1 36 GLU HA 1 36 GLU QB 3.200 . 3.400 2.190 2.133 2.261 . 0 0 "[ . 1 . 2]" 1
143 1 15 GLU HA 1 15 GLU HB2 2.800 . 3.600 2.753 2.408 2.944 . 0 0 "[ . 1 . 2]" 1
144 1 52 GLU HB2 1 53 ASP HA 2.600 . 6.000 5.236 4.198 5.608 . 0 0 "[ . 1 . 2]" 1
145 1 35 CYS H 1 38 VAL HA 3.500 . 6.000 10.366 9.875 10.956 4.956 8 20 [*******+****-*******] 1
146 1 28 ARG HA 1 28 ARG QB 2.400 . 3.100 2.117 2.089 2.143 . 0 0 "[ . 1 . 2]" 1
147 1 7 TYR HA 1 7 TYR QD 2.800 . 3.800 2.113 1.746 2.754 0.254 11 0 "[ . 1 . 2]" 1
148 1 31 ASP HA 1 31 ASP HB2 2.900 . 4.000 2.435 2.347 2.749 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLU HA 1 9 GLU QG 3.400 . 4.600 3.339 3.029 3.498 . 0 0 "[ . 1 . 2]" 1
150 1 15 GLU HA 1 15 GLU QG 3.300 . 4.700 2.225 2.134 2.475 . 0 0 "[ . 1 . 2]" 1
151 1 36 GLU HA 1 36 GLU HG3 4.100 . 6.000 3.935 3.758 4.128 . 0 0 "[ . 1 . 2]" 1
152 1 31 ASP HA 1 32 GLY H 3.100 . 4.000 2.436 2.062 3.086 . 0 0 "[ . 1 . 2]" 1
153 1 4 VAL H 1 7 TYR HA 3.300 . 6.000 6.780 5.107 7.824 1.824 9 15 "[-***.***+* ***.*** 2]" 1
154 1 28 ARG QG 1 31 ASP HA 2.100 . 6.000 8.534 7.805 9.310 3.310 16 20 [*******-*******+****] 1
155 1 5 PHE HA 1 7 TYR HA 3.800 . 6.000 6.526 5.658 7.408 1.408 2 12 "[*+**. ** * **- * *2]" 1
156 1 19 LYS HA 1 20 GLY H 3.700 . 4.000 2.641 2.256 3.580 . 0 0 "[ . 1 . 2]" 1
157 1 28 ARG HA 1 29 TRP HZ3 4.100 . 6.000 4.210 4.044 4.367 . 0 0 "[ . 1 . 2]" 1
158 1 7 TYR HA 1 7 TYR QE 5.100 . 6.000 4.131 4.001 4.343 . 0 0 "[ . 1 . 2]" 1
159 1 35 CYS H 1 36 GLU HA 5.600 . 6.000 5.236 4.619 5.459 . 0 0 "[ . 1 . 2]" 1
160 1 53 ASP HA 1 54 GLY HA3 4.100 . 6.000 5.328 5.291 5.371 . 0 0 "[ . 1 . 2]" 1
161 1 39 LYS HA 1 40 GLY QA 5.000 . 6.000 3.857 3.808 3.890 . 0 0 "[ . 1 . 2]" 1
162 1 46 ASP HA 1 46 ASP QB 2.500 . 3.300 2.355 2.179 2.436 . 0 0 "[ . 1 . 2]" 1
163 1 10 VAL H 1 12 GLU HA 2.700 . 6.000 6.555 6.255 6.755 0.755 12 15 "[****-** * +****** 2]" 1
164 1 11 ASP QB 1 12 GLU HA 3.200 . 4.500 4.402 4.046 4.770 0.270 14 0 "[ . 1 . 2]" 1
165 1 46 ASP HA 1 49 LYS QB 1.900 . 2.400 2.990 2.290 3.112 0.712 13 18 "[***** ***- *+*******]" 1
166 1 12 GLU HA 1 12 GLU QB 2.600 . 3.100 2.339 2.245 2.527 . 0 0 "[ . 1 . 2]" 1
167 1 27 VAL HA 1 28 ARG QG 5.400 . 6.000 4.343 4.119 4.520 . 0 0 "[ . 1 . 2]" 1
168 1 25 TYR H 1 39 LYS HA 4.100 . 5.500 4.974 4.363 5.672 0.172 17 0 "[ . 1 . 2]" 1
169 1 39 LYS H 1 39 LYS HA 3.000 . 3.000 2.641 2.268 2.943 . 0 0 "[ . 1 . 2]" 1
170 1 41 VAL HA 1 43 VAL H 3.600 . 5.200 4.515 4.290 4.739 . 0 0 "[ . 1 . 2]" 1
171 1 18 GLY QA 1 19 LYS H 2.600 . 3.500 2.206 2.079 2.649 . 0 0 "[ . 1 . 2]" 1
172 1 12 GLU H 1 12 GLU HA 2.800 . 3.500 2.961 2.927 2.980 . 0 0 "[ . 1 . 2]" 1
173 1 12 GLU HA 1 13 ILE HB 4.300 . 6.000 5.541 4.785 5.739 . 0 0 "[ . 1 . 2]" 1
174 1 12 GLU HA 1 26 LEU QB 3.400 . 4.800 6.975 5.572 7.434 2.634 8 20 [*******+*********-**] 1
175 1 46 ASP HA 1 49 LYS H 3.500 . 3.500 3.681 3.259 3.971 0.471 5 0 "[ . 1 . 2]" 1
176 1 4 VAL H 1 56 GLU HA 3.500 . 4.800 3.680 3.444 5.549 0.749 20 1 "[ . 1 . +]" 1
177 1 55 LEU HA 1 56 GLU H 2.900 . 3.400 3.520 3.313 3.582 0.182 12 0 "[ . 1 . 2]" 1
178 1 51 TYR HA 1 51 TYR QD 2.300 . 3.000 2.868 2.365 3.217 0.217 20 0 "[ . 1 . 2]" 1
179 1 51 TYR HA 1 51 TYR QE 4.400 . 6.000 4.659 4.426 4.843 . 0 0 "[ . 1 . 2]" 1
180 1 43 VAL HA 1 44 ALA H 2.600 . 3.400 2.818 2.747 2.874 . 0 0 "[ . 1 . 2]" 1
181 1 32 GLY HA3 1 33 GLY H 4.100 . 5.000 2.566 2.152 2.722 . 0 0 "[ . 1 . 2]" 1
182 1 51 TYR HA 1 51 TYR QB 2.300 . 2.800 2.324 2.235 2.393 . 0 0 "[ . 1 . 2]" 1
183 1 18 GLY QA 1 24 GLU H 4.400 . 6.000 3.904 3.277 4.531 . 0 0 "[ . 1 . 2]" 1
184 1 41 VAL HA 1 42 HIS H 3.300 . 4.000 3.503 3.464 3.564 . 0 0 "[ . 1 . 2]" 1
185 1 56 GLU HA 1 57 TYR H 2.500 . 3.300 2.632 2.508 2.911 . 0 0 "[ . 1 . 2]" 1
186 1 51 TYR H 1 51 TYR HA 2.900 . 3.500 2.804 2.744 2.929 . 0 0 "[ . 1 . 2]" 1
187 1 56 GLU HA 1 56 GLU HG2 3.700 . 5.400 3.021 2.354 3.777 . 0 0 "[ . 1 . 2]" 1
188 1 56 GLU HA 1 56 GLU HB2 2.700 . 3.600 2.654 2.425 3.018 . 0 0 "[ . 1 . 2]" 1
189 1 4 VAL HB 1 56 GLU HA 1.900 . 2.200 4.531 3.028 6.481 4.281 20 20 [***********-*******+] 1
190 1 41 VAL H 1 41 VAL HA 2.700 . 3.000 2.738 2.675 2.787 . 0 0 "[ . 1 . 2]" 1
191 1 55 LEU H 1 55 LEU HA 3.000 . 3.500 2.845 2.800 2.947 . 0 0 "[ . 1 . 2]" 1
192 1 23 VAL HA 1 23 VAL HB 2.800 . 3.800 2.917 2.448 3.019 . 0 0 "[ . 1 . 2]" 1
193 1 55 LEU HA 1 55 LEU HB2 2.700 . 3.600 2.914 2.325 3.017 . 0 0 "[ . 1 . 2]" 1
194 1 23 VAL HA 1 24 GLU H 2.500 . 2.900 2.363 2.203 2.581 . 0 0 "[ . 1 . 2]" 1
195 1 18 GLY H 1 23 VAL HA 4.500 . 6.000 3.275 1.947 4.308 0.053 14 0 "[ . 1 . 2]" 1
196 1 13 ILE HA 1 15 GLU H 3.600 . 5.200 3.529 3.250 3.644 . 0 0 "[ . 1 . 2]" 1
197 1 23 VAL H 1 23 VAL HA 2.900 . 3.000 2.933 2.892 2.969 . 0 0 "[ . 1 . 2]" 1
198 1 41 VAL HA 1 44 ALA HA 3.200 . 4.500 4.649 4.258 4.943 0.443 8 0 "[ . 1 . 2]" 1
199 1 41 VAL HA 1 41 VAL HB 2.500 . 3.300 2.656 2.416 3.019 . 0 0 "[ . 1 . 2]" 1
200 1 4 VAL HA 1 5 PHE H 3.200 . 4.000 3.513 3.347 3.574 . 0 0 "[ . 1 . 2]" 1
201 1 44 ALA H 1 44 ALA HA 2.900 . 3.000 2.286 2.276 2.299 . 0 0 "[ . 1 . 2]" 1
202 1 30 LYS HA 1 31 ASP H 2.800 . 3.600 3.493 3.391 3.539 . 0 0 "[ . 1 . 2]" 1
203 1 13 ILE HA 1 28 ARG H 3.800 . 5.600 3.583 3.176 4.012 . 0 0 "[ . 1 . 2]" 1
204 1 49 LYS HA 1 50 ASP H 3.500 . 3.500 3.529 3.453 3.561 0.061 16 0 "[ . 1 . 2]" 1
205 1 28 ARG QD 1 30 LYS HA 3.600 . 4.000 6.552 6.297 6.817 2.817 19 20 [*******-**********+*] 1
206 1 45 GLU HA 1 45 GLU HB2 2.600 . 3.500 2.344 2.249 2.478 . 0 0 "[ . 1 . 2]" 1
207 1 49 LYS HA 1 49 LYS QB 2.500 . 3.300 2.211 2.163 2.381 . 0 0 "[ . 1 . 2]" 1
208 1 13 ILE HA 1 14 VAL H 2.500 . 3.000 2.086 2.014 2.183 . 0 0 "[ . 1 . 2]" 1
209 1 13 ILE HA 1 15 GLU QG 3.400 . 5.200 7.073 6.593 7.508 2.308 7 20 [******+***-*********] 1
210 1 11 ASP QB 1 13 ILE HA 3.000 . 6.000 7.133 6.792 7.408 1.408 14 20 [***-*********+******] 1
211 1 14 VAL HA 1 14 VAL HB 3.000 . 4.200 2.865 2.748 2.906 . 0 0 "[ . 1 . 2]" 1
212 1 13 ILE HA 1 28 ARG QB 2.800 . 6.000 4.003 3.827 4.136 . 0 0 "[ . 1 . 2]" 1
213 1 54 GLY HA3 1 55 LEU H 3.400 . 4.500 2.806 2.626 3.476 . 0 0 "[ . 1 . 2]" 1
214 1 52 GLU HA 1 52 GLU HG2 3.800 . 5.600 2.727 2.196 3.685 . 0 0 "[ . 1 . 2]" 1
215 1 33 GLY QA 1 38 VAL HB 4.400 . 6.000 15.481 14.488 16.069 10.069 1 20 [+***********-*******] 1
216 1 40 GLY QA 1 43 VAL HB 3.200 . 4.000 2.238 1.906 2.622 0.094 17 0 "[ . 1 . 2]" 1
217 1 10 VAL HA 1 11 ASP H 2.600 . 3.000 2.664 2.521 2.788 . 0 0 "[ . 1 . 2]" 1
218 1 10 VAL H 1 10 VAL HA 2.900 2.100 3.500 2.276 2.242 2.308 . 0 0 "[ . 1 . 2]" 1
219 1 47 VAL HA 1 50 ASP QB 4.100 . 4.200 4.333 4.202 4.460 0.260 2 0 "[ . 1 . 2]" 1
220 1 47 VAL HA 1 47 VAL HB 2.600 . 3.300 3.027 3.014 3.035 . 0 0 "[ . 1 . 2]" 1
221 1 29 TRP HB2 1 31 ASP H 4.300 . 5.800 5.592 5.038 6.166 0.366 4 0 "[ . 1 . 2]" 1
222 1 29 TRP HB2 1 29 TRP HZ3 4.300 . 6.000 6.318 6.197 6.366 0.366 5 0 "[ . 1 . 2]" 1
223 1 42 HIS H 1 42 HIS QB 2.900 . 3.900 2.370 2.048 2.754 . 0 0 "[ . 1 . 2]" 1
224 1 12 GLU QG 1 28 ARG QD 3.900 . 5.400 4.708 4.018 5.792 0.392 13 0 "[ . 1 . 2]" 1
225 1 25 TYR QE 1 51 TYR QB 2.900 . 3.900 4.946 3.883 5.813 1.913 17 15 "[* * ** *** ** **+*-*]" 1
226 1 51 TYR QB 1 51 TYR QE 3.700 . 5.000 3.951 3.934 3.979 . 0 0 "[ . 1 . 2]" 1
227 1 7 TYR HB2 1 7 TYR QE 4.600 . 6.000 4.399 4.356 4.447 . 0 0 "[ . 1 . 2]" 1
228 1 28 ARG QD 1 31 ASP H 3.900 . 5.800 6.279 4.958 7.604 1.804 15 10 "[** *.* ** -+* *2]" 1
229 1 51 TYR QB 1 51 TYR QD 2.200 . 2.800 2.151 2.125 2.235 . 0 0 "[ . 1 . 2]" 1
230 1 49 LYS QB 1 51 TYR QB 2.000 . 6.000 5.547 5.337 5.673 . 0 0 "[ . 1 . 2]" 1
231 1 22 ASP H 1 22 ASP HB2 3.400 . 4.800 3.384 2.534 3.691 . 0 0 "[ . 1 . 2]" 1
232 1 7 TYR HB2 1 8 ALA H 3.600 . 5.000 4.421 3.438 4.572 . 0 0 "[ . 1 . 2]" 1
233 1 50 ASP QB 1 51 TYR QB 2.600 . 6.000 4.148 3.795 4.376 . 0 0 "[ . 1 . 2]" 1
234 1 57 TYR H 1 57 TYR HB2 3.200 . 4.400 2.692 2.469 3.589 . 0 0 "[ . 1 . 2]" 1
235 1 57 TYR HB2 1 57 TYR QD 3.600 . 5.200 2.694 2.271 2.765 . 0 0 "[ . 1 . 2]" 1
236 1 11 ASP QB 1 28 ARG QB 2.500 . 3.100 4.743 4.603 4.885 1.785 6 20 [****-+**************] 1
237 1 52 GLU HB2 1 52 GLU HG2 2.800 . 3.800 2.648 2.271 3.013 . 0 0 "[ . 1 . 2]" 1
238 1 47 VAL HB 1 49 LYS QB 3.200 . 6.000 6.266 5.960 6.723 0.723 16 1 "[ . 1 .+ 2]" 1
239 1 46 ASP QB 1 47 VAL HA 3.700 . 5.400 4.335 4.084 4.558 . 0 0 "[ . 1 . 2]" 1
240 1 34 ASP H 1 34 ASP HB2 3.000 . 4.100 2.923 2.484 3.238 . 0 0 "[ . 1 . 2]" 1
241 1 46 ASP QB 1 50 ASP H 3.800 . 5.500 5.698 4.787 6.463 0.963 4 7 "[**-+. *1 *. *2]" 1
242 1 46 ASP QB 1 51 TYR H 4.600 . 6.000 7.752 6.867 8.601 2.601 2 20 [*+***-**************] 1
243 1 25 TYR QE 1 46 ASP QB 3.200 . 4.500 5.938 5.301 6.359 1.859 2 20 [*+*****-************] 1
244 1 46 ASP QB 1 49 LYS QB 4.400 . 6.000 4.696 3.890 4.946 . 0 0 "[ . 1 . 2]" 1
245 1 5 PHE H 1 5 PHE QB 2.600 . 3.400 2.168 2.037 2.484 . 0 0 "[ . 1 . 2]" 1
246 1 50 ASP QB 1 51 TYR H 3.300 . 4.700 2.898 2.606 3.684 . 0 0 "[ . 1 . 2]" 1
247 1 5 PHE QB 1 7 TYR QE 4.100 . 5.600 4.920 3.085 7.199 1.599 19 2 "[ - 1 . +2]" 1
248 1 46 ASP HA 1 50 ASP QB 3.800 . 4.900 5.693 4.767 6.388 1.488 4 17 "[***+* ******- .*****]" 1
249 1 46 ASP QB 1 50 ASP QB 2.300 . 6.000 6.015 4.602 7.079 1.079 4 3 "[ +. -1 . *2]" 1
250 1 9 GLU H 1 9 GLU QG 2.600 . 3.400 1.929 1.534 2.326 0.366 19 0 "[ . 1 . 2]" 1
251 1 9 GLU H 1 9 GLU QB 3.100 . 4.300 2.893 2.714 2.978 . 0 0 "[ . 1 . 2]" 1
252 1 15 GLU QG 1 51 TYR QD 3.700 . 4.800 6.842 5.883 7.928 3.128 20 20 [*********-*********+] 1
253 1 34 ASP H 1 38 VAL HB 3.400 . 4.800 14.395 13.223 15.050 10.250 1 20 [+***********-*******] 1
254 1 45 GLU H 1 45 GLU HB2 2.500 . 3.300 2.767 2.426 3.063 . 0 0 "[ . 1 . 2]" 1
255 1 9 GLU QB 1 10 VAL H 2.900 . 3.600 2.845 2.146 3.318 . 0 0 "[ . 1 . 2]" 1
256 1 15 GLU QG 1 16 LYS H . . 2.700 2.193 1.810 3.012 0.312 11 0 "[ . 1 . 2]" 1
257 1 9 GLU QG 1 10 VAL H 3.300 . 4.600 2.708 2.029 3.048 . 0 0 "[ . 1 . 2]" 1
258 1 49 LYS QB 1 53 ASP H 3.700 . 6.000 4.630 3.674 5.371 . 0 0 "[ . 1 . 2]" 1
259 1 52 GLU HB2 1 53 ASP H 3.200 . 4.500 3.215 2.169 3.903 . 0 0 "[ . 1 . 2]" 1
260 1 56 GLU HB2 1 57 TYR H 4.300 . 6.000 4.565 4.296 4.690 . 0 0 "[ . 1 . 2]" 1
261 1 9 GLU QG 1 29 TRP HZ3 4.000 . 6.000 6.834 6.096 7.150 1.150 2 18 "[*+**.** **-*********]" 1
262 1 29 TRP HE1 1 36 GLU HG3 3.800 . 5.600 5.417 5.189 5.612 0.012 16 0 "[ . 1 . 2]" 1
263 1 11 ASP H 1 11 ASP QB 2.700 . 3.100 3.154 3.058 3.244 0.144 4 0 "[ . 1 . 2]" 1
264 1 56 GLU H 1 56 GLU HB2 3.400 . 4.800 2.527 2.170 2.830 . 0 0 "[ . 1 . 2]" 1
265 1 36 GLU H 1 36 GLU QB 2.900 . 3.900 2.987 2.654 3.201 . 0 0 "[ . 1 . 2]" 1
266 1 38 VAL H 1 38 VAL HB 3.300 . 4.300 3.092 2.602 3.818 . 0 0 "[ . 1 . 2]" 1
267 1 25 TYR QE 1 49 LYS QB 3.200 . 4.900 2.528 1.781 3.233 0.119 8 0 "[ . 1 . 2]" 1
268 1 36 GLU QB 1 37 TRP QB 4.000 . 6.000 5.033 4.791 5.313 . 0 0 "[ . 1 . 2]" 1
269 1 56 GLU HB2 1 56 GLU HG2 2.700 . 3.600 2.801 2.320 3.011 . 0 0 "[ . 1 . 2]" 1
270 1 36 GLU QB 1 36 GLU HG3 2.600 . 3.400 2.188 2.135 2.299 . 0 0 "[ . 1 . 2]" 1
271 1 36 GLU QB 1 37 TRP HZ2 3.700 . 5.800 8.762 7.927 9.220 3.420 5 20 [****+*************-*] 1
272 1 52 GLU HA 1 52 GLU HB2 2.700 . 3.600 2.629 2.378 2.969 . 0 0 "[ . 1 . 2]" 1
273 1 11 ASP QB 1 12 GLU QG 2.800 . 3.600 3.386 2.654 5.555 1.955 2 5 "[ + . - 1 * * * 2]" 1
274 1 49 LYS QB 1 50 ASP H . . 2.200 3.017 2.096 3.462 1.262 2 15 "[*+**- ***** **** *2]" 1
275 1 19 LYS H 1 19 LYS HB2 3.400 . 4.900 2.674 2.210 3.603 . 0 0 "[ . 1 . 2]" 1
276 1 4 VAL H 1 4 VAL HB 2.700 . 3.600 2.551 2.008 3.492 . 0 0 "[ . 1 . 2]" 1
277 1 4 VAL HB 1 56 GLU H 3.800 . 5.600 4.035 2.761 4.441 . 0 0 "[ . 1 . 2]" 1
278 1 49 LYS H 1 49 LYS QB 1.900 . 2.300 2.324 2.080 2.520 0.220 1 0 "[ . 1 . 2]" 1
279 1 4 VAL HB 1 55 LEU HA 3.300 . 6.000 3.665 3.503 4.353 . 0 0 "[ . 1 . 2]" 1
280 1 4 VAL HB 1 56 GLU HB2 2.300 . 6.000 4.703 2.405 6.104 0.104 20 0 "[ . 1 . 2]" 1
281 1 14 VAL H 1 14 VAL HB 3.200 . 4.300 2.398 2.203 2.521 . 0 0 "[ . 1 . 2]" 1
282 1 24 GLU QB 1 37 TRP QB 4.400 . 6.000 2.944 1.845 3.962 0.155 12 0 "[ . 1 . 2]" 1
283 1 12 GLU QB 1 28 ARG QB 2.700 . 3.600 4.531 4.232 4.810 1.210 3 20 [**+************-****] 1
284 1 28 ARG H 1 28 ARG QB 2.700 . 3.600 3.086 3.025 3.144 . 0 0 "[ . 1 . 2]" 1
285 1 19 LYS H 1 21 LYS QB 3.700 . 5.000 6.450 5.167 7.284 2.284 7 17 "[***** +**-***** ***]" 1
286 1 12 GLU QB 1 28 ARG HG3 3.900 . 5.800 5.235 4.997 5.434 . 0 0 "[ . 1 . 2]" 1
287 1 12 GLU H 1 28 ARG QG 3.200 . 4.500 2.609 1.869 3.023 0.131 14 0 "[ . 1 . 2]" 1
288 1 16 LYS HA 1 27 VAL HB 3.000 . 6.000 5.739 5.498 5.872 . 0 0 "[ . 1 . 2]" 1
289 1 13 ILE HB 1 51 TYR QD 3.100 . 4.300 5.345 4.551 5.667 1.367 2 18 "[*+-***** ******* ***]" 1
290 1 7 TYR QD 1 13 ILE HB 3.200 . 4.500 6.792 5.951 7.736 3.236 19 20 [********-*********+*] 1
291 1 26 LEU QB 1 27 VAL HB 3.600 . 5.300 5.657 5.379 5.923 0.623 17 3 "[ -. 1 . +* 2]" 1
292 1 13 ILE H 1 26 LEU QB 3.500 . 5.000 5.081 3.720 5.517 0.517 8 1 "[ . + 1 . 2]" 1
293 1 26 LEU QB 1 28 ARG H 3.700 . 5.400 4.438 3.732 5.049 . 0 0 "[ . 1 . 2]" 1
294 1 7 TYR QE 1 26 LEU QB 3.300 . 6.000 8.833 8.248 9.313 3.313 15 20 [*********-****+*****] 1
295 1 15 GLU QG 1 26 LEU QB 3.800 . 5.600 7.780 7.036 8.175 2.575 12 20 [***********+*******-] 1
296 1 40 GLY QA 1 41 VAL H 3.000 . 3.500 2.573 2.429 2.714 . 0 0 "[ . 1 . 2]" 1
297 1 54 GLY H 1 54 GLY HA3 2.600 . 3.500 2.338 2.298 2.402 . 0 0 "[ . 1 . 2]" 1
298 1 52 GLU H 1 53 ASP H 2.700 . 3.500 2.529 2.334 2.747 . 0 0 "[ . 1 . 2]" 1
299 1 25 TYR QE 1 40 GLY QA 3.400 . 4.800 2.536 1.896 2.924 0.104 17 0 "[ . 1 . 2]" 1
300 1 11 ASP QB 1 28 ARG QG 2.500 . 3.300 5.094 4.756 5.400 2.100 15 20 [**************+**-**] 1
301 1 12 GLU QB 1 28 ARG QG 3.600 . 5.300 3.703 3.515 3.855 . 0 0 "[ . 1 . 2]" 1
302 1 28 ARG QB 1 28 ARG QG 1.700 . 2.200 1.987 1.962 2.015 . 0 0 "[ . 1 . 2]" 1
303 1 27 VAL HB 1 37 TRP H 4.100 . 6.000 5.821 5.342 6.490 0.490 11 0 "[ . 1 . 2]" 1
304 1 12 GLU HA 1 13 ILE H 2.700 . 3.000 2.481 2.290 2.672 . 0 0 "[ . 1 . 2]" 1
305 1 29 TRP HD1 1 34 ASP H 4.300 . 6.000 12.226 11.278 12.965 6.965 4 20 [***+*********-******] 1
306 1 12 GLU H 1 27 VAL H 3.500 . 5.000 6.414 5.667 6.744 1.744 15 20 [************-*+*****] 1
307 1 56 GLU H 1 57 TYR HB2 5.800 . 6.000 5.635 4.964 6.749 0.749 10 3 "[ . + .* -2]" 1
308 1 24 GLU QB 1 41 VAL H 4.300 . 6.000 4.829 4.369 5.270 . 0 0 "[ . 1 . 2]" 1
309 1 12 GLU H 1 26 LEU QB 3.500 . 5.000 7.570 6.106 8.090 3.090 8 20 [*******+*********-**] 1
310 1 5 PHE QB 1 57 TYR QD 2.800 . 6.000 10.540 8.079 11.460 5.460 20 20 [***********-*******+] 1
311 1 38 VAL HA 1 42 HIS HD2 5.400 . 6.000 6.927 5.928 7.853 1.853 13 18 "[ *********-*+***** *]" 1
312 1 38 VAL HB 1 42 HIS HD2 3.800 . 5.600 5.464 3.147 7.719 2.119 13 9 "[ *** -* + * * *]" 1
313 1 51 TYR QD 1 52 GLU HG2 4.100 . 6.000 4.168 1.774 5.510 0.226 20 0 "[ . 1 . 2]" 1
314 1 23 VAL H 1 24 GLU QG 4.800 . 6.000 4.651 3.416 6.358 0.358 14 0 "[ . 1 . 2]" 1
315 1 26 LEU H 1 37 TRP HH2 4.200 . 6.000 7.503 6.677 8.158 2.158 7 20 [******+-************] 1
316 1 27 VAL HB 1 37 TRP HH2 2.900 . 4.000 7.195 5.580 8.500 4.500 14 20 [*******-*****+******] 1
317 1 51 TYR QE 1 52 GLU HA 2.900 . 6.000 4.288 3.692 5.114 . 0 0 "[ . 1 . 2]" 1
318 1 35 CYS HA 1 36 GLU H 3.000 . 3.500 2.240 2.135 2.360 . 0 0 "[ . 1 . 2]" 1
319 1 40 GLY QA 1 42 HIS HA 4.200 . 6.000 5.764 5.559 5.924 . 0 0 "[ . 1 . 2]" 1
320 1 22 ASP HA 1 23 VAL HB 3.600 . 5.200 4.872 4.536 5.146 . 0 0 "[ . 1 . 2]" 1
321 1 22 ASP HA 1 37 TRP HZ3 3.400 . 6.000 11.663 8.670 13.692 7.692 18 20 [************-****+**] 1
322 1 10 VAL HA 1 51 TYR QE 3.800 . 5.600 9.852 9.112 10.551 4.951 18 20 [**********-******+**] 1
323 1 24 GLU QG 1 39 LYS HA 3.500 . 5.100 3.586 2.736 4.291 . 0 0 "[ . 1 . 2]" 1
324 1 49 LYS H 1 49 LYS HA 2.700 . 3.000 2.779 2.745 2.818 . 0 0 "[ . 1 . 2]" 1
325 1 28 ARG QB 1 30 LYS HA 3.200 . 4.500 6.863 6.617 6.990 2.490 13 20 [*******-****+*******] 1
326 1 40 GLY QA 1 47 VAL HB 2.900 . 3.900 6.740 6.573 6.929 3.029 20 20 [****************-**+] 1
327 1 28 ARG QD 1 29 TRP HB2 3.400 . 6.000 4.060 3.884 4.221 . 0 0 "[ . 1 . 2]" 1
328 1 24 GLU QB 1 43 VAL HB 2.200 . 2.800 4.284 3.839 4.540 1.740 8 20 [*******+**********-*] 1
329 1 24 GLU QG 1 36 GLU QB 3.300 . 6.000 7.819 6.516 8.861 2.861 5 20 [****+*************-*] 1
330 1 49 LYS QB 1 50 ASP QB 3.700 . 5.400 4.679 3.573 5.180 . 0 0 "[ . 1 . 2]" 1
331 1 25 TYR H 1 43 VAL HB 3.200 . 4.500 2.735 2.472 3.122 . 0 0 "[ . 1 . 2]" 1
332 1 52 GLU H 1 52 GLU HB2 2.800 . 3.800 2.460 2.107 2.917 . 0 0 "[ . 1 . 2]" 1
333 1 12 GLU H 1 28 ARG HG3 3.200 . 4.500 4.231 3.522 4.556 0.056 20 0 "[ . 1 . 2]" 1
334 1 27 VAL HB 1 37 TRP HZ3 2.900 . 4.000 7.865 6.259 9.037 5.037 7 20 [******+**********-**] 1
335 1 18 GLY H 1 18 GLY QA 2.300 . 2.900 2.385 2.181 2.510 . 0 0 "[ . 1 . 2]" 1
336 1 24 GLU QG 1 38 VAL HB 2.200 . 2.800 5.294 2.429 6.614 3.814 5 17 "[****+* *****- ** ***]" 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 267
_Distance_constraint_stats_list.Viol_count 1095
_Distance_constraint_stats_list.Viol_total 26987.986
_Distance_constraint_stats_list.Viol_max 12.141
_Distance_constraint_stats_list.Viol_rms 0.9060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2527
_Distance_constraint_stats_list.Viol_average_violations_only 1.2323
_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 4 VAL 0.268 0.139 19 0 "[ . 1 . 2]"
1 5 PHE 0.130 0.058 11 0 "[ . 1 . 2]"
1 7 TYR 1.582 0.472 12 0 "[ . 1 . 2]"
1 8 ALA 0.472 0.472 12 0 "[ . 1 . 2]"
1 9 GLU 14.083 0.765 11 5 "[ - . 1+ .*** 2]"
1 10 VAL 7.785 0.473 18 0 "[ . 1 . 2]"
1 11 ASP 9.987 0.473 18 0 "[ . 1 . 2]"
1 12 GLU 8.454 0.287 5 0 "[ . 1 . 2]"
1 13 ILE 4.138 0.397 6 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 194.764 3.954 9 20 [********+***********]
1 16 LYS 62.618 3.509 5 19 [****+*******-******2]
1 17 ARG 286.540 4.731 19 20 [*-****************+*]
1 18 GLY 13.416 1.090 8 16 "[**-****+**** ** **2]"
1 19 LYS 195.535 12.141 6 20 [*****+*****-********]
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 8.031 0.895 18 9 "[ **. * 1*-* . +**]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 2.790 0.392 13 0 "[ . 1 . 2]"
1 24 GLU 12.519 1.419 15 13 "[ ***** **** +* - *]"
1 25 TYR 82.152 2.917 7 20 [*-****+*************]
1 26 LEU 89.113 4.731 19 20 [***************-**+*]
1 27 VAL 59.987 3.499 11 20 [**********+***-*****]
1 28 ARG 200.109 5.060 12 20 [*-*********+********]
1 29 TRP 207.894 4.801 5 20 [****+*********-*****]
1 30 LYS 2.843 0.276 2 0 "[ . 1 . 2]"
1 31 ASP 0.175 0.105 4 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 276.745 12.141 6 20 [*****+**-***********]
1 37 TRP 252.546 3.857 2 20 [*+**************-***]
1 38 VAL 102.778 5.060 12 20 [***********+*****-**]
1 39 LYS 50.584 2.014 5 20 [****+***********-***]
1 40 GLY 6.661 0.600 5 3 "[ -* + 1 . 2]"
1 41 VAL 34.210 2.014 5 20 [****+**-************]
1 42 HIS 2.215 1.083 13 1 "[ . 1 + . 2]"
1 43 VAL 107.403 3.463 16 20 [***-***********+****]
1 44 ALA 2.275 0.179 17 0 "[ . 1 . 2]"
1 45 GLU 4.455 0.183 15 0 "[ . 1 . 2]"
1 46 ASP 68.096 3.463 16 20 [**********-****+****]
1 47 VAL 46.054 2.381 16 20 [***-***********+****]
1 48 ALA 26.820 1.941 2 15 "[ +* *** ** ******-*]"
1 49 LYS 2.101 0.269 2 0 "[ . 1 . 2]"
1 50 ASP 34.967 1.741 19 20 [****-*************+*]
1 51 TYR 51.722 2.924 6 20 [*****+*************-]
1 52 GLU 4.619 0.350 2 0 "[ . 1 . 2]"
1 53 ASP 44.012 1.741 19 20 [**-***************+*]
1 54 GLY 21.235 1.416 20 19 "[***** *****-*******+]"
1 55 LEU 64.939 3.954 9 20 [**-*****+***********]
1 56 GLU 0.195 0.058 2 0 "[ . 1 . 2]"
1 57 TYR 21.235 1.416 20 19 "[***** *****-*******+]"
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 54 GLY H 1 57 TYR H 4.000 . 4.500 5.551 4.967 5.916 1.416 20 19 "[***** *****-*******+]" 2
2 1 56 GLU QB 1 57 TYR H 4.100 . 6.000 3.974 3.800 4.043 . 0 0 "[ . 1 . 2]" 2
3 1 55 LEU QB 1 57 TYR H 4.000 . 5.000 4.484 4.358 4.758 . 0 0 "[ . 1 . 2]" 2
4 1 57 TYR H 1 57 TYR QB 3.000 . 4.000 2.303 2.240 2.583 . 0 0 "[ . 1 . 2]" 2
5 1 54 GLY QA 1 57 TYR H 4.000 . 5.000 4.578 3.869 5.211 0.211 19 0 "[ . 1 . 2]" 2
6 1 57 TYR H 1 57 TYR HA 2.500 . 3.000 2.776 2.684 2.819 . 0 0 "[ . 1 . 2]" 2
7 1 57 TYR HA 1 57 TYR QD 3.500 . 5.500 2.381 2.095 3.703 . 0 0 "[ . 1 . 2]" 2
8 1 56 GLU H 1 56 GLU QG 3.600 . 5.200 3.561 2.350 4.052 . 0 0 "[ . 1 . 2]" 2
9 1 56 GLU H 1 56 GLU QB 3.700 . 5.400 2.295 2.145 2.563 . 0 0 "[ . 1 . 2]" 2
10 1 55 LEU QB 1 56 GLU H 4.600 . 6.000 2.002 1.842 3.256 0.058 2 0 "[ . 1 . 2]" 2
11 1 56 GLU H 1 56 GLU HA 2.500 . 3.000 2.876 2.838 2.916 . 0 0 "[ . 1 . 2]" 2
12 1 53 ASP HA 1 55 LEU H 4.000 . 4.500 4.848 4.105 5.382 0.882 12 5 "[ - . ** + *. 2]" 2
13 1 53 ASP H 1 55 LEU H 5.000 . 5.500 4.477 4.164 4.792 . 0 0 "[ . 1 . 2]" 2
14 1 52 GLU HA 1 55 LEU H 3.500 . 4.000 3.256 2.670 3.827 . 0 0 "[ . 1 . 2]" 2
15 1 52 GLU HA 1 55 LEU QB 3.000 . 4.000 2.691 2.135 3.750 . 0 0 "[ . 1 . 2]" 2
16 1 15 GLU QG 1 55 LEU H 4.000 . 5.400 8.236 7.396 9.354 3.954 9 20 [********+*********-*] 2
17 1 55 LEU H 1 55 LEU QB 3.000 . 4.000 2.389 2.228 2.750 . 0 0 "[ . 1 . 2]" 2
18 1 55 LEU H 1 55 LEU QD 4.000 . 5.500 2.681 1.847 4.025 . 0 0 "[ . 1 . 2]" 2
19 1 55 LEU H 1 55 LEU HG 3.500 . 4.000 3.007 2.035 4.251 0.251 19 0 "[ . 1 . 2]" 2
20 1 53 ASP HA 1 54 GLY H 3.500 . 4.000 3.522 3.463 3.589 . 0 0 "[ . 1 . 2]" 2
21 1 53 ASP QB 1 54 GLY H 4.800 . 6.000 2.956 2.165 3.548 . 0 0 "[ . 1 . 2]" 2
22 1 52 GLU HA 1 53 ASP H 3.500 . 4.000 3.520 3.486 3.563 . 0 0 "[ . 1 . 2]" 2
23 1 51 TYR H 1 53 ASP H 4.000 . 4.500 4.400 3.579 4.908 0.408 20 0 "[ . 1 . 2]" 2
24 1 50 ASP HA 1 53 ASP H 2.500 . 3.000 4.536 4.213 4.741 1.741 19 20 [****-*************+*] 2
25 1 50 ASP HA 1 53 ASP QB 3.000 . 4.000 3.374 2.626 3.808 . 0 0 "[ . 1 . 2]" 2
26 1 49 LYS HA 1 53 ASP H 4.000 . 4.500 3.329 2.310 4.244 . 0 0 "[ . 1 . 2]" 2
27 1 15 GLU QG 1 53 ASP H 4.700 . 6.000 6.222 6.123 6.306 0.306 7 0 "[ . 1 . 2]" 2
28 1 52 GLU QB 1 53 ASP H 3.000 . 4.100 2.141 1.812 2.679 0.088 8 0 "[ . 1 . 2]" 2
29 1 53 ASP H 1 53 ASP HA 3.000 . 3.500 2.657 2.367 2.763 . 0 0 "[ . 1 . 2]" 2
30 1 50 ASP H 1 52 GLU H 4.000 . 4.500 4.654 4.237 4.850 0.350 2 0 "[ . 1 . 2]" 2
31 1 49 LYS HA 1 52 GLU H 3.500 . 4.000 3.765 3.263 4.261 0.261 2 0 "[ . 1 . 2]" 2
32 1 49 LYS HA 1 52 GLU QB 3.800 . 4.800 3.890 2.830 4.613 . 0 0 "[ . 1 . 2]" 2
33 1 48 ALA HA 1 52 GLU H 4.500 . 5.000 4.400 3.795 4.947 . 0 0 "[ . 1 . 2]" 2
34 1 52 GLU H 1 52 GLU QB 3.000 . 4.000 2.242 2.081 2.350 . 0 0 "[ . 1 . 2]" 2
35 1 52 GLU H 1 52 GLU QG 3.500 . 4.500 3.839 3.047 4.147 . 0 0 "[ . 1 . 2]" 2
36 1 49 LYS H 1 51 TYR H 4.000 . 4.000 3.972 3.751 4.269 0.269 2 0 "[ . 1 . 2]" 2
37 1 48 ALA HA 1 51 TYR H 3.500 . 4.000 3.243 2.778 3.720 . 0 0 "[ . 1 . 2]" 2
38 1 48 ALA HA 1 51 TYR QB 3.000 . 4.000 2.440 1.899 2.963 . 0 0 "[ . 1 . 2]" 2
39 1 50 ASP HA 1 51 TYR H 3.500 . 4.000 3.413 2.927 3.499 . 0 0 "[ . 1 . 2]" 2
40 1 15 GLU QG 1 51 TYR QE 4.100 . 6.000 7.149 6.086 8.567 2.567 20 16 "[ -*******1** *****+]" 2
41 1 13 ILE HB 1 51 TYR QE 4.600 . 6.000 5.966 4.834 6.397 0.397 6 0 "[ . 1 . 2]" 2
42 1 51 TYR QD 1 52 GLU QG 3.500 . 5.500 3.558 1.769 4.195 0.031 20 0 "[ . 1 . 2]" 2
43 1 51 TYR QD 1 52 GLU QB 4.000 . 6.000 2.840 1.928 3.340 . 0 0 "[ . 1 . 2]" 2
44 1 51 TYR QD 1 55 LEU QD 4.000 . 7.000 3.059 2.378 4.117 . 0 0 "[ . 1 . 2]" 2
45 1 13 ILE QG 1 51 TYR QD 4.000 . 7.000 4.039 2.682 5.035 . 0 0 "[ . 1 . 2]" 2
46 1 13 ILE QG 1 51 TYR QE 3.500 . 6.500 4.427 2.341 5.692 . 0 0 "[ . 1 . 2]" 2
47 1 16 LYS QD 1 51 TYR QE 4.500 . 6.500 7.559 5.579 9.424 2.924 6 13 "[** **+ * *-*** **2]" 2
48 1 15 GLU HA 1 51 TYR QE 4.800 . 6.500 6.271 5.529 7.013 0.513 20 1 "[ . 1 . +]" 2
49 1 48 ALA HA 1 51 TYR QD 4.000 . 6.000 4.069 2.905 4.645 . 0 0 "[ . 1 . 2]" 2
50 1 48 ALA MB 1 51 TYR QD 4.000 . 6.000 4.062 2.470 4.946 . 0 0 "[ . 1 . 2]" 2
51 1 51 TYR QE 1 55 LEU QD 3.000 . 5.000 2.965 2.304 4.117 . 0 0 "[ . 1 . 2]" 2
52 1 47 VAL HA 1 50 ASP H 4.000 . 4.500 4.461 4.245 4.761 0.261 18 0 "[ . 1 . 2]" 2
53 1 49 LYS QG 1 50 ASP H 3.000 . 3.500 2.218 1.817 3.565 0.065 12 0 "[ . 1 . 2]" 2
54 1 50 ASP H 1 50 ASP HA 2.500 . 3.000 2.787 2.703 2.906 . 0 0 "[ . 1 . 2]" 2
55 1 45 GLU HA 1 49 LYS H 4.000 . 4.500 4.481 4.234 4.616 0.116 5 0 "[ . 1 . 2]" 2
56 1 49 LYS H 1 49 LYS QG 3.500 . 4.500 2.903 2.287 3.978 . 0 0 "[ . 1 . 2]" 2
57 1 48 ALA HA 1 49 LYS H 3.500 . 4.000 3.459 3.381 3.553 . 0 0 "[ . 1 . 2]" 2
58 1 46 ASP H 1 48 ALA H 4.000 . 4.500 4.750 4.451 4.902 0.402 7 0 "[ . 1 . 2]" 2
59 1 45 GLU HA 1 48 ALA H 3.500 . 4.000 4.104 3.926 4.183 0.183 15 0 "[ . 1 . 2]" 2
60 1 45 GLU HA 1 48 ALA MB 3.200 . 4.200 4.056 3.691 4.264 0.064 3 0 "[ . 1 . 2]" 2
61 1 48 ALA H 1 48 ALA MB 3.000 . 4.000 2.171 2.088 2.237 . 0 0 "[ . 1 . 2]" 2
62 1 47 VAL HB 1 48 ALA H 3.000 . 4.000 2.518 2.178 2.725 . 0 0 "[ . 1 . 2]" 2
63 1 48 ALA H 1 48 ALA HA 3.000 . 3.500 2.893 2.834 2.923 . 0 0 "[ . 1 . 2]" 2
64 1 44 ALA HA 1 47 VAL H 3.500 . 4.000 3.994 3.657 4.179 0.179 17 0 "[ . 1 . 2]" 2
65 1 44 ALA HA 1 47 VAL HB 3.500 . 4.000 3.659 3.066 4.056 0.056 14 0 "[ . 1 . 2]" 2
66 1 43 VAL HA 1 47 VAL H 5.000 . 5.500 7.704 7.428 7.881 2.381 16 20 [***-***********+****] 2
67 1 46 ASP HA 1 47 VAL H 3.500 . 4.000 3.146 2.995 3.364 . 0 0 "[ . 1 . 2]" 2
68 1 47 VAL H 1 47 VAL QG 3.500 . 5.000 2.577 2.297 2.742 . 0 0 "[ . 1 . 2]" 2
69 1 45 GLU H 1 46 ASP H 2.500 . 3.000 2.958 2.796 3.156 0.156 16 0 "[ . 1 . 2]" 2
70 1 43 VAL HB 1 46 ASP H 3.500 . 4.500 7.629 7.320 7.963 3.463 16 20 [**********-****+****] 2
71 1 46 ASP H 1 46 ASP HA 2.500 . 3.000 2.867 2.816 2.893 . 0 0 "[ . 1 . 2]" 2
72 1 45 GLU QG 1 46 ASP H 3.500 . 4.500 2.837 1.999 3.484 . 0 0 "[ . 1 . 2]" 2
73 1 44 ALA H 1 45 GLU H 2.500 . 3.000 3.038 2.921 3.098 0.098 12 0 "[ . 1 . 2]" 2
74 1 45 GLU H 1 45 GLU QB 2.600 . 3.500 2.189 2.055 2.280 . 0 0 "[ . 1 . 2]" 2
75 1 45 GLU H 1 45 GLU HA 2.500 . 3.000 2.761 2.722 2.783 . 0 0 "[ . 1 . 2]" 2
76 1 43 VAL HB 1 44 ALA H 4.100 . 6.000 4.274 4.203 4.356 . 0 0 "[ . 1 . 2]" 2
77 1 43 VAL QG 1 44 ALA H 3.500 . 5.000 3.726 3.662 3.777 . 0 0 "[ . 1 . 2]" 2
78 1 44 ALA H 1 44 ALA MB 3.000 . 4.000 2.808 2.766 2.862 . 0 0 "[ . 1 . 2]" 2
79 1 41 VAL H 1 44 ALA H 6.000 . 6.500 5.653 5.371 5.840 . 0 0 "[ . 1 . 2]" 2
80 1 43 VAL H 1 43 VAL QG 3.500 . 5.000 2.308 2.089 2.685 . 0 0 "[ . 1 . 2]" 2
81 1 42 HIS QB 1 43 VAL H 4.500 . 5.500 2.802 2.481 3.798 . 0 0 "[ . 1 . 2]" 2
82 1 40 GLY H 1 42 HIS H 3.500 . 4.000 3.640 2.729 4.344 0.344 3 0 "[ . 1 . 2]" 2
83 1 41 VAL HB 1 42 HIS H 3.600 . 5.200 3.467 2.523 4.053 . 0 0 "[ . 1 . 2]" 2
84 1 41 VAL QG 1 42 HIS H 3.500 . 5.000 2.398 1.880 3.342 . 0 0 "[ . 1 . 2]" 2
85 1 42 HIS H 1 42 HIS HD1 4.000 . 5.000 3.414 1.981 4.111 . 0 0 "[ . 1 . 2]" 2
86 1 41 VAL QG 1 42 HIS HD1 3.500 . 5.000 3.734 2.580 4.542 . 0 0 "[ . 1 . 2]" 2
87 1 38 VAL HB 1 42 HIS HD1 4.500 . 6.500 5.390 3.143 7.583 1.083 13 1 "[ . 1 + . 2]" 2
88 1 40 GLY H 1 41 VAL H 3.000 . 3.500 2.403 2.012 2.815 . 0 0 "[ . 1 . 2]" 2
89 1 39 LYS H 1 41 VAL H 4.000 . 4.500 6.208 5.682 6.514 2.014 5 20 [****+**-************] 2
90 1 39 LYS HA 1 41 VAL H 4.000 . 4.500 4.228 4.012 4.559 0.059 11 0 "[ . 1 . 2]" 2
91 1 41 VAL H 1 41 VAL QG 3.500 . 5.000 2.157 1.912 2.496 . 0 0 "[ . 1 . 2]" 2
92 1 39 LYS H 1 40 GLY H 3.500 . 4.000 4.276 4.116 4.600 0.600 5 3 "[ -* + 1 . 2]" 2
93 1 38 VAL H 1 39 LYS H 4.000 . 4.500 3.685 2.100 4.561 0.061 5 0 "[ . 1 . 2]" 2
94 1 37 TRP HA 1 39 LYS H 5.000 . 5.500 5.839 4.542 6.439 0.939 9 13 "[ ** ** +* ****-* *]" 2
95 1 38 VAL QG 1 39 LYS H 4.000 . 5.000 2.619 1.715 3.426 0.085 13 0 "[ . 1 . 2]" 2
96 1 38 VAL HB 1 39 LYS H 3.500 . 4.000 2.610 1.902 3.609 . 0 0 "[ . 1 . 2]" 2
97 1 37 TRP H 1 38 VAL H 3.500 . 4.000 4.596 4.486 4.654 0.654 4 19 [***+.************-**] 2
98 1 36 GLU H 1 38 VAL H 6.000 . 6.500 6.457 5.975 6.817 0.317 4 0 "[ . 1 . 2]" 2
99 1 26 LEU HA 1 38 VAL H 3.900 . 5.800 5.222 4.589 5.953 0.153 12 0 "[ . 1 . 2]" 2
100 1 28 ARG HA 1 38 VAL H 5.500 . 6.000 10.400 9.806 11.060 5.060 12 20 [****-******+********] 2
101 1 26 LEU HG 1 38 VAL H 5.300 . 6.300 3.579 1.931 5.199 . 0 0 "[ . 1 . 2]" 2
102 1 37 TRP HD1 1 38 VAL H 4.000 . 6.000 4.234 3.515 4.755 . 0 0 "[ . 1 . 2]" 2
103 1 37 TRP HE1 1 48 ALA MB 5.500 . 7.000 7.805 5.733 8.941 1.941 2 15 "[ +* *** ** ******-*]" 2
104 1 36 GLU H 1 37 TRP H 4.000 . 4.500 2.361 2.034 2.872 . 0 0 "[ . 1 . 2]" 2
105 1 36 GLU HA 1 37 TRP H 3.000 . 3.500 3.067 2.753 3.273 . 0 0 "[ . 1 . 2]" 2
106 1 37 TRP H 1 37 TRP HE1 5.000 . 7.000 5.918 4.879 6.258 . 0 0 "[ . 1 . 2]" 2
107 1 37 TRP HA 1 37 TRP HD1 3.000 . 5.000 4.159 3.182 4.563 . 0 0 "[ . 1 . 2]" 2
108 1 25 TYR HA 1 37 TRP HD1 4.800 . 6.800 3.182 2.327 4.160 . 0 0 "[ . 1 . 2]" 2
109 1 16 LYS HA 1 37 TRP HD1 4.800 . 6.800 3.499 2.539 4.199 . 0 0 "[ . 1 . 2]" 2
110 1 16 LYS QE 1 37 TRP HD1 3.500 . 5.500 7.417 5.984 9.009 3.509 5 19 [****+**********-***2] 2
111 1 15 GLU QG 1 37 TRP HZ2 4.000 . 6.000 6.702 1.855 9.208 3.208 13 13 "[*** *** -* +**** 2]" 2
112 1 15 GLU QB 1 37 TRP HZ2 4.500 . 6.500 5.895 1.937 7.903 1.403 14 7 "[ - * * *1 *+. * 2]" 2
113 1 24 GLU QB 1 37 TRP H 4.000 . 5.000 5.603 4.598 6.419 1.419 15 13 "[ ***** **** +* - *]" 2
114 1 15 GLU QB 1 37 TRP HH2 3.500 . 5.500 6.662 3.864 8.361 2.861 7 15 "[*** **+ ** **-** **]" 2
115 1 15 GLU QG 1 37 TRP HH2 3.500 . 5.500 7.541 3.812 9.268 3.768 14 16 "[*** *** ** *+*****-]" 2
116 1 17 ARG HA 1 37 TRP HH2 4.500 . 6.500 8.965 7.909 10.357 3.857 2 20 [*+**********-*******] 2
117 1 37 TRP HD1 1 43 VAL HB 4.000 . 6.000 6.038 6.003 6.063 0.063 10 0 "[ . 1 . 2]" 2
118 1 19 LYS H 1 36 GLU H 4.000 . 4.500 13.219 10.295 16.641 12.141 6 20 [*****+*******-******] 2
119 1 29 TRP HA 1 36 GLU H 4.500 . 5.000 9.094 8.714 9.780 4.780 8 20 [*****-*+************] 2
120 1 36 GLU H 1 36 GLU QG 3.500 . 4.500 2.266 2.047 2.564 . 0 0 "[ . 1 . 2]" 2
121 1 34 ASP HA 1 35 CYS H 3.000 . 3.500 2.458 2.271 2.962 . 0 0 "[ . 1 . 2]" 2
122 1 35 CYS H 1 35 CYS QB 3.500 . 4.500 2.527 2.391 3.303 . 0 0 "[ . 1 . 2]" 2
123 1 33 GLY QA 1 34 ASP H 3.500 . 4.500 2.679 2.577 2.818 . 0 0 "[ . 1 . 2]" 2
124 1 32 GLY H 1 33 GLY H 5.000 . 5.500 2.640 2.039 3.873 . 0 0 "[ . 1 . 2]" 2
125 1 31 ASP QB 1 32 GLY H 4.500 . 5.000 2.739 1.845 3.969 . 0 0 "[ . 1 . 2]" 2
126 1 30 LYS H 1 31 ASP H 3.000 . 3.500 2.891 2.174 3.605 0.105 4 0 "[ . 1 . 2]" 2
127 1 31 ASP H 1 31 ASP QB 3.500 . 4.500 2.560 2.020 2.863 . 0 0 "[ . 1 . 2]" 2
128 1 31 ASP H 1 31 ASP HA 2.500 . 3.000 2.434 2.254 2.778 . 0 0 "[ . 1 . 2]" 2
129 1 29 TRP H 1 30 LYS H 3.000 . 3.500 3.440 3.347 3.606 0.106 11 0 "[ . 1 . 2]" 2
130 1 29 TRP HA 1 30 LYS H 3.500 . 4.000 3.450 3.389 3.507 . 0 0 "[ . 1 . 2]" 2
131 1 28 ARG QB 1 30 LYS H 4.300 . 6.000 5.486 4.774 5.694 . 0 0 "[ . 1 . 2]" 2
132 1 30 LYS H 1 30 LYS HA 3.000 . 3.500 2.871 2.846 2.912 . 0 0 "[ . 1 . 2]" 2
133 1 28 ARG HA 1 30 LYS H 5.000 . 5.500 5.563 4.747 5.776 0.276 2 0 "[ . 1 . 2]" 2
134 1 29 TRP HE1 1 36 GLU QG 3.800 . 4.800 5.102 4.836 5.216 0.416 12 0 "[ . 1 . 2]" 2
135 1 27 VAL H 1 29 TRP H 5.500 . 6.000 4.577 4.328 5.034 . 0 0 "[ . 1 . 2]" 2
136 1 29 TRP HD1 1 36 GLU QG 3.900 . 5.800 6.420 5.966 6.550 0.750 16 19 [********-1*****+****] 2
137 1 29 TRP HE1 1 36 GLU QB 3.700 . 5.400 3.925 3.747 4.055 . 0 0 "[ . 1 . 2]" 2
138 1 29 TRP HD1 1 36 GLU QB 4.000 . 6.000 5.967 5.681 6.159 0.159 1 0 "[ . 1 . 2]" 2
139 1 11 ASP HA 1 29 TRP HE1 5.500 . 6.500 6.459 5.793 6.953 0.453 12 0 "[ . 1 . 2]" 2
140 1 28 ARG QG 1 29 TRP HE1 4.500 . 6.500 7.132 6.765 7.673 1.173 8 14 "[*** ** + 1** -*****]" 2
141 1 29 TRP H 1 29 TRP HA 3.000 . 3.500 2.615 2.377 2.675 . 0 0 "[ . 1 . 2]" 2
142 1 29 TRP H 1 29 TRP QB 3.500 . 4.500 2.453 2.215 2.627 . 0 0 "[ . 1 . 2]" 2
143 1 28 ARG HA 1 29 TRP HD1 3.000 . 3.500 8.099 8.012 8.301 4.801 5 20 [****+********-******] 2
144 1 27 VAL H 1 28 ARG H 4.000 . 4.500 2.437 2.134 2.873 . 0 0 "[ . 1 . 2]" 2
145 1 27 VAL HA 1 28 ARG H 3.500 . 4.000 2.835 2.697 2.968 . 0 0 "[ . 1 . 2]" 2
146 1 9 GLU QB 1 28 ARG NE 5.000 . 5.500 4.799 4.110 5.731 0.231 12 0 "[ . 1 . 2]" 2
147 1 9 GLU QG 1 28 ARG NE 4.000 . 4.500 4.718 4.445 5.265 0.765 11 5 "[ - . 1+ .*** 2]" 2
148 1 26 LEU H 1 27 VAL H 3.000 . 3.500 2.927 2.547 3.204 . 0 0 "[ . 1 . 2]" 2
149 1 26 LEU HA 1 27 VAL H 3.500 . 4.000 2.365 2.125 2.598 . 0 0 "[ . 1 . 2]" 2
150 1 17 ARG H 1 27 VAL H 5.500 . 6.000 8.999 8.727 9.499 3.499 11 20 [**********+***-*****] 2
151 1 25 TYR QB 1 27 VAL H 5.100 . 6.000 5.099 4.766 5.516 . 0 0 "[ . 1 . 2]" 2
152 1 27 VAL H 1 27 VAL QG 3.500 . 4.500 2.832 2.662 3.006 . 0 0 "[ . 1 . 2]" 2
153 1 27 VAL H 1 27 VAL HA 2.500 . 3.000 2.909 2.878 2.949 . 0 0 "[ . 1 . 2]" 2
154 1 17 ARG HA 1 26 LEU H 4.000 . 4.500 8.846 8.444 9.231 4.731 19 20 [***********-******+*] 2
155 1 25 TYR H 1 26 LEU H 4.000 . 4.500 4.022 3.449 4.267 . 0 0 "[ . 1 . 2]" 2
156 1 25 TYR QB 1 26 LEU H 3.200 . 4.500 3.467 3.142 3.786 . 0 0 "[ . 1 . 2]" 2
157 1 26 LEU H 1 26 LEU QD 3.500 . 5.000 3.837 3.230 4.159 . 0 0 "[ . 1 . 2]" 2
158 1 26 LEU H 1 26 LEU HG 4.500 . 5.000 4.272 2.870 5.258 0.258 5 0 "[ . 1 . 2]" 2
159 1 26 LEU H 1 26 LEU QB 3.000 . 4.000 3.026 2.658 3.478 . 0 0 "[ . 1 . 2]" 2
160 1 26 LEU H 1 26 LEU HA 2.500 . 3.000 2.724 2.601 2.820 . 0 0 "[ . 1 . 2]" 2
161 1 25 TYR HA 1 26 LEU H 3.000 . 3.500 2.079 2.016 2.125 . 0 0 "[ . 1 . 2]" 2
162 1 24 GLU H 1 25 TYR H 4.000 . 4.500 4.247 4.113 4.452 . 0 0 "[ . 1 . 2]" 2
163 1 24 GLU HA 1 25 TYR H 4.000 . 4.500 2.216 2.098 2.459 . 0 0 "[ . 1 . 2]" 2
164 1 25 TYR H 1 25 TYR QB 3.700 . 5.400 2.650 2.548 2.752 . 0 0 "[ . 1 . 2]" 2
165 1 25 TYR QB 1 25 TYR QD 4.000 . 6.000 2.108 2.081 2.161 . 0 0 "[ . 1 . 2]" 2
166 1 17 ARG QB 1 25 TYR H 5.000 . 6.000 8.431 7.800 8.917 2.917 7 20 [******+************-] 2
167 1 17 ARG H 1 25 TYR QE 4.000 . 6.000 3.897 3.208 4.565 . 0 0 "[ . 1 . 2]" 2
168 1 17 ARG H 1 25 TYR QD 3.500 . 5.500 4.691 4.213 5.156 . 0 0 "[ . 1 . 2]" 2
169 1 17 ARG HA 1 25 TYR QE 4.000 . 6.000 5.184 4.597 5.677 . 0 0 "[ . 1 . 2]" 2
170 1 17 ARG HA 1 25 TYR QD 3.500 . 5.500 6.462 5.736 6.964 1.464 7 18 "[******+ ***-***** **]" 2
171 1 25 TYR H 1 25 TYR QD 4.500 . 6.500 2.175 1.942 2.330 . 0 0 "[ . 1 . 2]" 2
172 1 25 TYR H 1 25 TYR QE 4.500 . 6.500 4.314 4.110 4.533 . 0 0 "[ . 1 . 2]" 2
173 1 13 ILE QG 1 25 TYR QD 4.800 . 6.800 3.205 1.925 3.755 . 0 0 "[ . 1 . 2]" 2
174 1 13 ILE QG 1 25 TYR QE 4.500 . 6.500 4.833 3.846 5.396 . 0 0 "[ . 1 . 2]" 2
175 1 23 VAL QG 1 25 TYR QD 4.000 . 6.500 3.612 3.300 4.231 . 0 0 "[ . 1 . 2]" 2
176 1 23 VAL QG 1 25 TYR QE 4.000 . 6.500 2.209 1.856 2.796 . 0 0 "[ . 1 . 2]" 2
177 1 13 ILE HB 1 25 TYR QE 4.000 . 6.000 5.884 5.285 6.274 0.274 13 0 "[ . 1 . 2]" 2
178 1 16 LYS QG 1 25 TYR QD 4.000 . 6.000 3.168 1.759 3.778 0.041 8 0 "[ . 1 . 2]" 2
179 1 16 LYS QG 1 25 TYR QE 4.500 . 6.500 2.381 1.792 3.734 0.008 13 0 "[ . 1 . 2]" 2
180 1 16 LYS QD 1 25 TYR QE 4.500 . 6.500 3.111 1.919 3.939 . 0 0 "[ . 1 . 2]" 2
181 1 16 LYS QD 1 25 TYR QD 4.500 . 6.500 4.030 1.895 4.905 . 0 0 "[ . 1 . 2]" 2
182 1 16 LYS QB 1 25 TYR QD 3.000 . 5.000 2.199 1.788 2.598 0.012 5 0 "[ . 1 . 2]" 2
183 1 25 TYR H 1 26 LEU HG 5.000 . 5.500 4.755 3.696 6.546 1.046 16 1 "[ . 1 .+ 2]" 2
184 1 17 ARG QB 1 25 TYR QE 4.500 . 6.500 5.714 4.903 6.381 . 0 0 "[ . 1 . 2]" 2
185 1 25 TYR QD 1 43 VAL QG 3.500 . 5.500 3.590 3.074 3.924 . 0 0 "[ . 1 . 2]" 2
186 1 25 TYR QE 1 43 VAL QG 3.500 . 5.500 5.164 4.696 5.433 . 0 0 "[ . 1 . 2]" 2
187 1 13 ILE HB 1 25 TYR QD 5.000 . 7.000 3.676 3.050 4.059 . 0 0 "[ . 1 . 2]" 2
188 1 24 GLU H 1 24 GLU QG 3.700 . 5.400 2.937 2.281 4.334 . 0 0 "[ . 1 . 2]" 2
189 1 23 VAL QG 1 24 GLU H 3.500 . 4.500 2.037 1.819 3.481 . 0 0 "[ . 1 . 2]" 2
190 1 24 GLU H 1 24 GLU QB 3.000 . 4.000 3.267 2.391 3.476 . 0 0 "[ . 1 . 2]" 2
191 1 23 VAL HB 1 24 GLU H 3.500 . 4.500 3.379 2.539 4.536 0.036 13 0 "[ . 1 . 2]" 2
192 1 24 GLU H 1 24 GLU HA 2.500 . 3.000 2.802 2.690 2.923 . 0 0 "[ . 1 . 2]" 2
193 1 19 LYS H 1 23 VAL H 5.000 . 5.500 4.940 2.238 5.596 0.096 18 0 "[ . 1 . 2]" 2
194 1 23 VAL H 1 23 VAL QG 3.500 . 5.000 2.313 1.917 2.764 . 0 0 "[ . 1 . 2]" 2
195 1 22 ASP QB 1 23 VAL H 3.500 . 4.500 3.754 3.122 4.005 . 0 0 "[ . 1 . 2]" 2
196 1 21 LYS H 1 22 ASP H 3.000 . 3.500 2.687 1.909 3.048 . 0 0 "[ . 1 . 2]" 2
197 1 21 LYS HA 1 22 ASP H 3.500 . 4.000 2.893 2.590 3.583 . 0 0 "[ . 1 . 2]" 2
198 1 22 ASP H 1 22 ASP QB 3.500 . 4.500 2.973 2.312 3.423 . 0 0 "[ . 1 . 2]" 2
199 1 20 GLY H 1 21 LYS H 3.000 . 3.500 2.765 2.478 3.000 . 0 0 "[ . 1 . 2]" 2
200 1 19 LYS H 1 21 LYS H 4.000 . 4.500 4.741 3.489 5.395 0.895 18 9 "[ **. * 1*-* . +**]" 2
201 1 19 LYS HA 1 21 LYS H 4.000 . 4.500 4.321 4.014 4.632 0.132 8 0 "[ . 1 . 2]" 2
202 1 21 LYS H 1 21 LYS HA 3.000 . 3.500 2.934 2.843 2.953 . 0 0 "[ . 1 . 2]" 2
203 1 18 GLY H 1 19 LYS H 3.000 . 3.500 4.078 2.200 4.590 1.090 8 16 "[**-****+**** ** **2]" 2
204 1 19 LYS H 1 19 LYS QB 3.300 . 4.500 2.541 2.188 3.001 . 0 0 "[ . 1 . 2]" 2
205 1 19 LYS H 1 22 ASP QB 4.500 . 5.500 3.545 2.554 4.587 . 0 0 "[ . 1 . 2]" 2
206 1 17 ARG H 1 18 GLY H 4.000 . 4.500 3.464 2.139 4.083 . 0 0 "[ . 1 . 2]" 2
207 1 17 ARG HA 1 18 GLY H 2.500 . 3.000 2.400 2.118 3.434 0.434 8 0 "[ . 1 . 2]" 2
208 1 17 ARG QB 1 18 GLY H 3.500 . 4.500 3.509 1.876 4.026 . 0 0 "[ . 1 . 2]" 2
209 1 16 LYS H 1 17 ARG H 4.500 . 5.000 4.360 4.265 4.457 . 0 0 "[ . 1 . 2]" 2
210 1 16 LYS QB 1 17 ARG H 3.700 . 5.400 2.100 1.836 2.981 0.164 15 0 "[ . 1 . 2]" 2
211 1 16 LYS QG 1 17 ARG H 4.000 . 5.000 3.279 1.978 4.769 0.022 17 0 "[ . 1 . 2]" 2
212 1 17 ARG H 1 17 ARG QB 3.500 . 4.500 3.223 2.961 3.532 . 0 0 "[ . 1 . 2]" 2
213 1 17 ARG H 1 17 ARG HA 2.500 . 3.000 2.423 2.237 2.887 . 0 0 "[ . 1 . 2]" 2
214 1 17 ARG H 1 23 VAL HA 4.800 . 6.300 4.132 3.050 4.371 . 0 0 "[ . 1 . 2]" 2
215 1 17 ARG H 1 17 ARG QG 3.500 . 4.000 3.544 2.488 4.357 0.357 10 0 "[ . 1 . 2]" 2
216 1 17 ARG H 1 17 ARG QD 4.000 . 4.500 4.570 3.177 5.156 0.656 13 4 "[ * *. 1 + - 2]" 2
217 1 17 ARG H 1 23 VAL HB 4.300 . 4.800 4.905 4.434 5.192 0.392 13 0 "[ . 1 . 2]" 2
218 1 17 ARG H 1 25 TYR HA 4.000 . 4.500 5.069 4.649 5.775 1.275 7 10 "[*-* . + ** **. * *2]" 2
219 1 15 GLU HA 1 16 LYS H 2.500 . 3.000 2.641 2.198 2.872 . 0 0 "[ . 1 . 2]" 2
220 1 15 GLU H 1 16 LYS H 4.000 . 4.500 4.411 4.315 4.517 0.017 20 0 "[ . 1 . 2]" 2
221 1 16 LYS H 1 16 LYS QD 5.000 . 6.000 3.248 1.919 4.806 . 0 0 "[ . 1 . 2]" 2
222 1 16 LYS H 1 16 LYS QB 3.500 . 4.500 3.253 3.098 3.403 . 0 0 "[ . 1 . 2]" 2
223 1 15 GLU QB 1 16 LYS H 3.500 . 4.500 2.346 1.902 3.582 . 0 0 "[ . 1 . 2]" 2
224 1 16 LYS H 1 25 TYR HA 6.000 . 6.500 5.030 4.781 5.205 . 0 0 "[ . 1 . 2]" 2
225 1 16 LYS HA 1 16 LYS QD 4.000 . 5.000 3.750 3.379 4.446 . 0 0 "[ . 1 . 2]" 2
226 1 14 VAL HA 1 15 GLU H 3.500 . 4.000 3.507 3.395 3.563 . 0 0 "[ . 1 . 2]" 2
227 1 13 ILE HB 1 15 GLU H 3.500 . 4.500 3.713 3.333 4.179 . 0 0 "[ . 1 . 2]" 2
228 1 14 VAL HB 1 15 GLU H 3.500 . 4.000 3.458 3.162 3.892 . 0 0 "[ . 1 . 2]" 2
229 1 14 VAL QG 1 15 GLU H 3.500 . 5.000 2.807 2.440 3.208 . 0 0 "[ . 1 . 2]" 2
230 1 15 GLU H 1 15 GLU QB 3.000 . 4.000 2.647 2.452 2.828 . 0 0 "[ . 1 . 2]" 2
231 1 13 ILE H 1 14 VAL H 4.000 . 4.500 4.097 3.935 4.226 . 0 0 "[ . 1 . 2]" 2
232 1 14 VAL H 1 14 VAL QG 3.500 . 5.000 2.997 2.761 3.095 . 0 0 "[ . 1 . 2]" 2
233 1 12 GLU H 1 13 ILE H 4.000 . 4.500 3.416 2.547 3.682 . 0 0 "[ . 1 . 2]" 2
234 1 12 GLU QG 1 13 ILE H 2.300 . 6.000 4.453 3.992 4.849 . 0 0 "[ . 1 . 2]" 2
235 1 13 ILE H 1 13 ILE QG 3.500 . 5.000 2.408 2.105 2.770 . 0 0 "[ . 1 . 2]" 2
236 1 13 ILE H 1 13 ILE MD 4.000 . 5.000 3.343 1.967 4.587 . 0 0 "[ . 1 . 2]" 2
237 1 13 ILE H 1 13 ILE HA 3.000 . 3.500 2.293 2.203 2.346 . 0 0 "[ . 1 . 2]" 2
238 1 11 ASP HA 1 12 GLU H 3.500 . 4.000 3.438 3.126 3.521 . 0 0 "[ . 1 . 2]" 2
239 1 9 GLU QB 1 12 GLU H 3.600 . 5.200 1.789 1.722 1.870 0.278 7 0 "[ . 1 . 2]" 2
240 1 12 GLU H 1 12 GLU QB 3.500 . 4.500 2.589 2.272 2.745 . 0 0 "[ . 1 . 2]" 2
241 1 12 GLU H 1 12 GLU QG 4.000 . 5.000 2.959 2.280 4.160 . 0 0 "[ . 1 . 2]" 2
242 1 10 VAL H 1 11 ASP H 3.000 . 3.500 2.779 2.629 2.907 . 0 0 "[ . 1 . 2]" 2
243 1 10 VAL HB 1 11 ASP H 4.000 . 4.000 4.389 4.138 4.473 0.473 18 0 "[ . 1 . 2]" 2
244 1 10 VAL QG 1 11 ASP H 3.500 . 5.000 3.473 3.390 3.704 . 0 0 "[ . 1 . 2]" 2
245 1 11 ASP H 1 28 ARG QB 5.000 . 5.500 2.024 1.886 2.238 . 0 0 "[ . 1 . 2]" 2
246 1 9 GLU HA 1 10 VAL H 3.500 . 4.000 3.485 3.431 3.542 . 0 0 "[ . 1 . 2]" 2
247 1 10 VAL H 1 10 VAL HB 3.000 . 4.100 2.894 2.778 3.176 . 0 0 "[ . 1 . 2]" 2
248 1 10 VAL H 1 10 VAL QG 4.000 . 5.500 3.049 2.385 3.216 . 0 0 "[ . 1 . 2]" 2
249 1 10 VAL HA 1 10 VAL HB 3.000 . 3.500 2.522 2.399 2.974 . 0 0 "[ . 1 . 2]" 2
250 1 8 ALA H 1 9 GLU H 3.000 . 3.500 2.807 2.152 3.119 . 0 0 "[ . 1 . 2]" 2
251 1 8 ALA HA 1 9 GLU H 3.500 . 4.000 2.656 2.466 2.788 . 0 0 "[ . 1 . 2]" 2
252 1 9 GLU H 1 9 GLU HA 3.000 . 3.500 2.759 2.660 2.856 . 0 0 "[ . 1 . 2]" 2
253 1 9 GLU H 1 12 GLU H 4.000 . 4.500 4.712 4.631 4.787 0.287 5 0 "[ . 1 . 2]" 2
254 1 8 ALA MB 1 9 GLU H 3.500 . 4.500 3.684 3.616 3.721 . 0 0 "[ . 1 . 2]" 2
255 1 7 TYR HA 1 8 ALA H 3.500 . 3.500 2.705 2.474 2.973 . 0 0 "[ . 1 . 2]" 2
256 1 7 TYR H 1 8 ALA H 3.500 . 4.000 2.885 2.639 4.472 0.472 12 0 "[ . 1 . 2]" 2
257 1 8 ALA H 1 9 GLU QB 5.200 . 6.000 4.812 4.321 5.176 . 0 0 "[ . 1 . 2]" 2
258 1 7 TYR QB 1 8 ALA H 3.500 . 4.000 3.788 1.905 3.945 . 0 0 "[ . 1 . 2]" 2
259 1 7 TYR QE 1 52 GLU QB 3.500 . 4.500 3.709 2.950 4.746 0.246 19 0 "[ . 1 . 2]" 2
260 1 7 TYR H 1 7 TYR HA 3.000 . 3.500 2.241 2.214 2.267 . 0 0 "[ . 1 . 2]" 2
261 1 7 TYR H 1 7 TYR QB 3.500 . 4.500 2.999 2.716 3.158 . 0 0 "[ . 1 . 2]" 2
262 1 7 TYR H 1 7 TYR QD 4.000 . 6.000 3.858 3.398 4.189 . 0 0 "[ . 1 . 2]" 2
263 1 4 VAL HA 1 7 TYR QD 4.500 2.300 6.500 5.477 2.161 6.378 0.139 19 0 "[ . 1 . 2]" 2
264 1 7 TYR H 1 9 GLU QB 5.000 . 6.500 6.277 5.674 6.654 0.154 1 0 "[ . 1 . 2]" 2
265 1 7 TYR H 1 9 GLU QG 5.000 . 6.500 5.531 4.412 6.636 0.136 12 0 "[ . 1 . 2]" 2
266 1 4 VAL H 1 5 PHE H 3.000 . 3.500 3.039 1.905 3.558 0.058 11 0 "[ . 1 . 2]" 2
267 1 4 VAL H 1 4 VAL QG 3.500 . 5.000 2.427 1.803 3.045 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 6:40:39 PM GMT (wattos1)