NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382015 |
1jau   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jau
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 357
_Distance_constraint_stats_list.Viol_count 5238
_Distance_constraint_stats_list.Viol_total 124141.109
_Distance_constraint_stats_list.Viol_max 3.183
_Distance_constraint_stats_list.Viol_rms 0.4526
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2173
_Distance_constraint_stats_list.Viol_average_violations_only 0.5925
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 35.084 1.016 10 28 "[ * ******+* ** * *2* ***********.**- 4]"
1 2 TRP 179.156 1.020 29 40 [************************-***+***********]
1 3 ALA 136.538 0.977 8 38 "[*******+************ ***-* *************]"
1 4 SER 132.697 1.020 29 36 "[*******************-** ** **+3****** ***]"
1 5 LEU 366.297 2.914 8 40 [*******+***********-********************]
1 6 TRP 292.731 2.914 8 40 [*******+*-******************************]
1 7 ASN 300.293 3.183 7 40 [**-***+*********************************]
1 8 TRP 413.183 1.378 22 40 [*********************+**************-***]
1 9 PHE 295.725 2.640 17 40 [****************+*******************-***]
1 10 ASN 164.941 1.005 6 40 [**-**+**********************************]
1 11 ILE 461.947 3.183 7 40 [******+******************-**************]
1 12 THR 290.762 1.044 23 40 [***************-******+*****************]
1 13 ASN 345.657 2.837 30 40 [***************-*************+**********]
1 14 TRP 633.168 2.010 27 40 [****************-*********+*************]
1 15 LEU 272.760 2.143 9 40 [********+******-************************]
1 16 TRP 830.528 2.837 30 40 [*****************************+*-********]
1 17 TYR 389.886 2.557 14 40 [*************+*****************-********]
1 18 ILE 173.320 1.048 25 40 [*******-****************+***************]
1 19 LYS 58.964 0.964 10 40 [*********+***********************-******]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 1 LYS QB 2.800 . 2.800 2.499 2.180 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 LYS HA 1 1 LYS QD 5.000 . 5.000 3.212 2.180 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 LYS QB 1 1 LYS QD 2.800 . 2.800 2.083 1.894 2.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 1 LYS QB 1 2 TRP HD1 5.000 . 5.000 4.405 2.787 5.362 0.362 28 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 1 LYS QD 1 2 TRP HE1 5.000 . 5.000 3.719 2.898 4.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 1 LYS HA 1 2 TRP H 2.800 . 2.800 2.537 2.219 2.862 0.062 19 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 1 LYS QB 1 2 TRP H 3.400 . 3.400 2.519 1.861 3.532 0.132 31 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 1 LYS QD 1 2 TRP HZ2 5.000 . 5.000 5.319 4.145 6.016 1.016 10 17 "[ * ** ***+* . *2* * * **** . - 4]" 1
9 1 1 LYS QE 1 2 TRP HZ2 5.000 . 5.000 5.151 3.798 5.966 0.966 26 18 "[ *.* * 1 ** * 2 *.+***3****.**- 4]" 1
10 1 2 TRP QB 1 2 TRP HD1 2.800 . 2.800 2.637 2.584 2.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 TRP QB 1 2 TRP HE3 2.800 . 2.800 2.526 2.468 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 TRP H 1 2 TRP QB 3.400 . 3.400 2.739 2.437 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 2 TRP H 1 2 TRP HD1 3.400 . 3.400 2.440 2.097 3.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 2 TRP H 1 2 TRP HE3 5.000 . 5.000 4.990 4.614 5.350 0.350 32 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 2 TRP QB 1 2 TRP HZ3 5.000 . 5.000 4.773 4.728 4.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 1 LYS HA 1 3 ALA H 5.000 . 5.000 4.053 3.652 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 1 LYS QB 1 3 ALA H 5.000 . 5.000 2.239 1.991 3.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 1 LYS QG 1 3 ALA H 5.000 . 5.000 3.751 1.990 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 2 TRP QB 1 3 ALA MB 5.000 . 5.000 4.955 4.850 5.020 0.020 31 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 2 TRP HD1 1 3 ALA MB 5.000 . 5.000 5.366 4.547 5.928 0.928 22 17 "[* .* 1** . * ** +* . ** **. **-*]" 1
21 1 2 TRP HE3 1 3 ALA MB 5.000 . 5.000 4.931 4.479 5.315 0.315 35 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 2 TRP H 1 3 ALA MB 5.000 . 5.000 3.907 3.435 4.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 2 TRP HZ3 1 3 ALA MB 5.000 . 5.000 5.408 4.766 5.907 0.907 2 14 "[ +**- * 1 .* **2 ** *3** * 4]" 1
24 1 2 TRP HA 1 3 ALA H 2.800 . 2.800 3.164 2.967 3.336 0.536 26 2 "[ . 1 . 2 .+ 3 .- 4]" 1
25 1 2 TRP QB 1 3 ALA H 3.400 . 3.400 3.929 3.795 4.009 0.609 19 29 "[*** **** 1*** .***+* ***- * ** *** ****]" 1
26 1 2 TRP HD1 1 3 ALA H 5.000 . 5.000 4.599 3.949 5.135 0.135 22 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 2 TRP HE3 1 3 ALA H 5.000 . 5.000 4.827 4.304 5.186 0.186 25 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 2 TRP H 1 3 ALA H 3.400 . 3.400 2.469 1.997 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 3 ALA H 1 3 ALA HA 2.800 . 2.800 2.868 2.832 2.885 0.085 19 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 3 ALA H 1 3 ALA MB 2.800 . 2.800 2.144 2.039 2.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 1 LYS QB 1 4 SER H 5.000 . 5.000 4.684 3.877 5.724 0.724 24 1 "[ . 1 . 2 +. 3 . 4]" 1
32 1 2 TRP QB 1 4 SER QB 5.000 . 5.000 5.579 5.032 6.020 1.020 29 25 "[ ***.* **** * .- ***** ** * +3** ** * *]" 1
33 1 2 TRP HA 1 4 SER H 2.800 . 2.800 3.076 2.983 3.133 0.333 35 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 3 ALA MB 1 4 SER HA 5.000 . 5.000 4.118 3.979 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 3 ALA MB 1 4 SER QB 5.000 . 5.000 4.636 4.183 4.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 3 ALA HA 1 4 SER H 2.800 . 2.800 3.035 2.925 3.247 0.447 37 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 3 ALA MB 1 4 SER H 3.400 . 3.400 3.561 3.361 3.641 0.241 33 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 3 ALA H 1 4 SER H 3.400 . 3.400 2.926 2.662 3.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 4 SER H 1 4 SER QB 3.400 . 3.400 2.711 2.243 3.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 2 TRP QB 1 5 LEU QB 5.000 . 5.000 4.559 3.966 5.610 0.610 32 1 "[ . 1 . 2 . 3 + . 4]" 1
41 1 2 TRP HE3 1 5 LEU QB 5.000 . 5.000 4.384 4.239 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 2 TRP HE3 1 5 LEU QD 5.000 . 5.000 1.895 1.833 2.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 2 TRP HH2 1 5 LEU QD 5.000 . 5.000 4.498 3.806 4.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 2 TRP HZ3 1 5 LEU QD 5.000 . 5.000 2.702 2.131 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 2 TRP QB 1 5 LEU QD 5.000 . 5.000 2.319 1.983 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 2 TRP HD1 1 5 LEU QD 5.000 . 5.000 5.320 5.036 5.847 0.847 14 9 "[ . 1* +- 2** .** 3 * .* 4]" 1
47 1 2 TRP HZ2 1 5 LEU QD 5.000 . 5.000 5.514 5.095 5.709 0.709 13 21 "[*- *. ** *+ .** *2****** *3 . ****]" 1
48 1 3 ALA HA 1 5 LEU H 5.000 . 5.000 3.401 3.129 4.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 3 ALA MB 1 5 LEU H 5.000 . 5.000 4.412 4.044 4.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 3 ALA H 1 5 LEU H 5.000 . 5.000 5.050 4.784 5.593 0.593 24 1 "[ . 1 . 2 +. 3 . 4]" 1
51 1 4 SER HA 1 5 LEU QD 5.000 . 5.000 5.081 4.946 5.223 0.223 37 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 4 SER HA 1 5 LEU H 2.800 . 2.800 2.929 2.640 3.075 0.275 29 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 4 SER QB 1 5 LEU H 3.400 . 3.400 3.864 3.692 4.058 0.658 31 13 "[ .* *1* . *-** *. * 3+* .* *]" 1
54 1 4 SER H 1 5 LEU H 2.800 . 2.800 2.646 2.088 2.922 0.122 26 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 5 LEU MD1 1 5 LEU MD2 2.800 . 2.800 2.012 1.898 2.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 5 LEU QB 1 5 LEU HG 2.800 . 2.800 2.493 2.480 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 5 LEU H 1 5 LEU QB 2.800 . 2.800 3.027 2.844 3.140 0.340 31 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 5 LEU H 1 5 LEU QD 5.000 . 5.000 3.112 2.951 3.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 5 LEU H 1 5 LEU HG 3.400 . 3.400 2.174 1.962 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 3 ALA HA 1 6 TRP QB 5.000 . 5.000 4.146 3.655 5.190 0.190 24 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 3 ALA HA 1 6 TRP HD1 3.400 . 3.400 2.883 2.210 3.591 0.191 26 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 3 ALA MB 1 6 TRP HD1 5.000 . 5.000 3.047 2.357 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 3 ALA HA 1 6 TRP HE1 5.000 . 5.000 4.745 3.669 5.731 0.731 26 4 "[ . 1 ** 2 .+ 3 - . 4]" 1
64 1 3 ALA HA 1 6 TRP H 5.000 . 5.000 4.023 3.533 4.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 3 ALA MB 1 6 TRP H 5.000 . 5.000 4.818 4.307 5.616 0.616 24 1 "[ . 1 . 2 +. 3 . 4]" 1
66 1 4 SER HA 1 6 TRP H 5.000 . 5.000 3.862 3.567 4.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 5 LEU QD 1 6 TRP HA 5.000 . 5.000 2.923 2.486 3.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 5 LEU HA 1 6 TRP H 3.400 . 3.400 3.371 3.217 3.505 0.105 19 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 5 LEU QB 1 6 TRP H 3.400 . 3.400 3.740 3.500 3.919 0.519 8 3 "[ . + - . 2 . * . 4]" 1
70 1 5 LEU QD 1 6 TRP H 5.000 . 5.000 3.074 2.614 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 5 LEU HG 1 6 TRP H 3.400 . 3.400 2.773 2.164 3.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 5 LEU H 1 6 TRP H 2.800 . 2.800 1.814 1.621 2.055 0.179 24 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 5 LEU QD 1 6 TRP HZ3 5.000 . 5.000 7.677 7.362 7.914 2.914 8 40 [*******+****************************-***] 1
74 1 6 TRP HA 1 6 TRP QB 2.800 . 2.800 2.168 2.156 2.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 6 TRP QB 1 6 TRP HD1 3.400 . 3.400 2.584 2.560 2.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 6 TRP QB 1 6 TRP HE3 3.400 . 3.400 2.614 2.536 2.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 6 TRP H 1 6 TRP QB . . 2.800 2.431 2.191 2.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 6 TRP H 1 6 TRP HD1 3.400 . 3.400 2.855 2.608 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 6 TRP H 1 6 TRP HE1 5.000 . 5.000 4.983 4.579 5.339 0.339 12 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 6 TRP QB 1 6 TRP HZ3 5.000 . 5.000 4.838 4.781 4.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 3 ALA MB 1 7 ASN QD 5.000 . 5.000 5.017 3.395 5.737 0.737 13 13 "[* *** *1 + ** 2 * 3 *. ** -]" 1
82 1 3 ALA HA 1 7 ASN H 5.000 . 5.000 5.522 4.935 5.977 0.977 8 22 "[* *. *+** **** **2 *.* *** ** - * *]" 1
83 1 4 SER HA 1 7 ASN QB 5.000 . 5.000 4.339 2.977 4.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 4 SER QB 1 7 ASN QB 5.000 . 5.000 5.345 3.551 5.684 0.684 34 13 "[* ** * * * *** 2 * - 3 *+. 4]" 1
85 1 4 SER HA 1 7 ASN QD 5.000 . 5.000 2.217 1.793 4.132 0.007 39 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 4 SER QB 1 7 ASN QD 5.000 . 5.000 3.281 2.750 4.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 4 SER HA 1 7 ASN H 3.400 . 3.400 3.883 3.176 4.104 0.704 19 21 "[* * **** * ***** +2 * . * 3** **- * 4]" 1
88 1 4 SER QB 1 7 ASN H 5.000 . 5.000 5.448 4.619 5.603 0.603 16 13 "[* *** 1 .+* *2 *. 3* *** -4]" 1
89 1 5 LEU QD 1 7 ASN QD 5.000 . 5.000 4.939 4.505 6.802 1.802 29 4 "[ . * 1 . * 2 . +3 - 4]" 1
90 1 5 LEU HA 1 7 ASN H 3.400 . 3.400 4.230 3.915 4.508 1.108 12 40 [***********+*********-******************] 1
91 1 5 LEU QD 1 7 ASN H 5.000 . 5.000 4.664 4.347 4.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 5 LEU HG 1 7 ASN H 5.000 . 5.000 4.997 4.657 5.476 0.476 15 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 6 TRP HD1 1 7 ASN QD 5.000 . 5.000 4.528 3.442 5.133 0.133 37 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 6 TRP QB 1 7 ASN H 3.400 . 3.400 3.512 3.412 3.587 0.187 39 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 6 TRP HD1 1 7 ASN H 5.000 . 5.000 3.490 3.268 3.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 6 TRP H 1 7 ASN H 2.800 . 2.800 2.269 1.998 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 7 ASN HA 1 7 ASN QB 2.800 . 2.800 2.195 2.150 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 7 ASN H 1 7 ASN HA 2.800 . 2.800 2.771 2.748 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 7 ASN H 1 7 ASN QB 2.800 . 2.800 2.793 2.294 2.939 0.139 14 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 7 ASN H 1 7 ASN QD 5.000 . 5.000 2.500 1.962 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 5 LEU QD 1 8 TRP QB 5.000 . 5.000 5.886 5.529 6.143 1.143 12 40 [***********+-***************************] 1
102 1 5 LEU HA 1 8 TRP QB 3.400 . 3.400 4.443 4.140 4.778 1.378 22 40 [**************-******+******************] 1
103 1 5 LEU HA 1 8 TRP HE1 5.000 . 5.000 3.780 3.369 4.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 6 TRP HA 1 8 TRP H 3.400 . 3.400 3.744 3.532 4.626 1.226 39 5 "[ . 1 . **2 . 3 * . -+4]" 1
105 1 7 ASN QD 1 8 TRP HA 5.000 . 5.000 4.870 3.787 5.808 0.808 19 12 "[ .-** 1 . *+2 *. *** ** *4]" 1
106 1 7 ASN H 1 8 TRP HA 5.000 . 5.000 5.355 5.307 5.471 0.471 33 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 7 ASN H 1 8 TRP QB 5.000 . 5.000 4.687 4.570 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 7 ASN QB 1 8 TRP HD1 5.000 . 5.000 5.163 4.295 5.515 0.515 4 4 "[ - +. 1 * . 2 . * 3 . 4]" 1
109 1 7 ASN HA 1 8 TRP H 3.400 . 3.400 3.450 3.406 3.534 0.134 18 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 7 ASN QD 1 8 TRP H 5.000 . 5.000 2.925 1.855 5.093 0.093 29 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 7 ASN H 1 8 TRP H 3.400 . 3.400 2.740 2.678 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 8 TRP QB 1 8 TRP HE3 3.400 . 3.400 2.529 2.475 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 8 TRP H 1 8 TRP QB 3.400 . 3.400 2.470 2.146 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 8 TRP HA 1 8 TRP HZ3 5.000 . 5.000 6.073 6.023 6.154 1.154 23 40 [************-*********+*****************] 1
115 1 8 TRP QB 1 8 TRP HZ3 5.000 . 5.000 4.765 4.719 4.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 5 LEU QD 1 9 PHE QB 5.000 . 5.000 3.130 2.435 3.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 5 LEU H 1 9 PHE QB 5.000 . 5.000 5.456 5.114 5.981 0.981 29 15 "[ * *. **1 * . * - **. * +** * .* 4]" 1
118 1 5 LEU QB 1 9 PHE QD 5.000 . 5.000 3.951 3.344 4.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 5 LEU QD 1 9 PHE QD 3.400 . 3.400 3.218 2.281 3.610 0.210 9 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 5 LEU HG 1 9 PHE QD 5.000 . 5.000 5.743 4.630 5.989 0.989 15 34 "[************* +******* *-** ** * ** ****]" 1
121 1 5 LEU QD 1 9 PHE QE 5.000 . 5.000 3.962 2.388 4.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 5 LEU HA 1 9 PHE H 5.000 . 5.000 4.579 4.261 4.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 6 TRP HE3 1 9 PHE QB 5.000 . 5.000 4.217 3.762 4.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 6 TRP HE3 1 9 PHE QD 3.400 . 3.400 5.907 5.362 6.040 2.640 17 40 [****************+*******************-***] 1
125 1 8 TRP HE1 1 9 PHE HA 5.000 . 5.000 4.557 4.359 4.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 8 TRP HE3 1 9 PHE QB 5.000 . 5.000 5.996 5.758 6.049 1.049 24 40 [*********************-*+****************] 1
127 1 8 TRP HZ2 1 9 PHE QD 3.400 . 3.400 3.966 3.330 4.325 0.925 15 27 "[** *.** *** *+* *2 *** * ***** **-***]" 1
128 1 8 TRP HA 1 9 PHE H 5.000 . 5.000 3.458 3.424 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 8 TRP QB 1 9 PHE H 3.400 . 3.400 3.506 3.421 3.592 0.192 21 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 8 TRP HE3 1 9 PHE H 5.000 . 5.000 5.096 4.933 5.184 0.184 19 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 8 TRP H 1 9 PHE H 3.400 . 3.400 2.030 1.822 2.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 9 PHE H 1 9 PHE QB 3.400 . 3.400 2.112 2.040 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 6 TRP HA 1 10 ASN H 5.000 . 5.000 3.929 3.264 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 7 ASN QB 1 10 ASN QD 5.000 . 5.000 4.756 4.084 5.413 0.413 19 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 7 ASN QB 1 10 ASN H 5.000 . 5.000 5.426 4.741 5.571 0.571 22 19 "[* - * ******.** 2*+* .* 3 * *. * *]" 1
136 1 8 TRP H 1 10 ASN QB 5.000 . 5.000 5.272 4.646 5.979 0.979 19 14 "[ * *** 1 **- +* **. *3 * . *]" 1
137 1 8 TRP HA 1 10 ASN H 5.000 . 5.000 3.710 3.597 3.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 8 TRP QB 1 10 ASN H 5.000 . 5.000 4.854 4.766 4.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 8 TRP HE3 1 10 ASN H 5.000 . 5.000 5.888 5.785 6.005 1.005 6 40 [*****+**************-*******************] 1
140 1 8 TRP H 1 10 ASN H 5.000 . 5.000 3.726 3.430 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 9 PHE HA 1 10 ASN H 2.800 . 2.800 3.448 3.415 3.479 0.679 6 40 [*****+******************************-***] 1
142 1 9 PHE QB 1 10 ASN H . . 3.400 2.961 2.821 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 9 PHE QD 1 10 ASN H 5.000 . 5.000 4.595 4.284 4.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 9 PHE H 1 10 ASN H 2.800 . 2.800 2.576 2.532 2.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 10 ASN H 1 10 ASN QB 3.400 . 3.400 2.403 2.132 2.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 10 ASN H 1 10 ASN QD 5.000 . 5.000 3.134 1.986 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 6 TRP HZ3 1 11 ILE QG 5.000 . 5.000 6.024 5.884 6.047 1.047 2 40 [*+*******************-******************] 1
148 1 7 ASN QD 1 11 ILE MD 5.000 . 5.000 5.040 4.268 5.735 0.735 7 10 "[ .*+* 1 . *2 - *. ** ** 4]" 1
149 1 7 ASN QD 1 11 ILE MG 5.000 . 5.000 7.443 6.626 8.183 3.183 7 40 [*-****+*********************************] 1
150 1 8 TRP HA 1 11 ILE HB 5.000 . 5.000 2.875 2.417 3.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 8 TRP HE3 1 11 ILE HB 5.000 . 5.000 3.161 2.872 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 8 TRP HA 1 11 ILE MD 5.000 . 5.000 1.936 1.776 2.064 0.024 25 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 8 TRP HE3 1 11 ILE MD 5.000 . 5.000 3.741 3.306 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 8 TRP HD1 1 11 ILE QG 5.000 . 5.000 6.060 6.037 6.081 1.081 30 40 [**********************-******+**********] 1
155 1 8 TRP HA 1 11 ILE H 5.000 . 5.000 3.077 2.862 3.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 8 TRP QB 1 11 ILE H 5.000 . 5.000 4.508 4.374 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 9 PHE HA 1 11 ILE H 5.000 . 5.000 3.852 3.398 4.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 9 PHE H 1 11 ILE H 5.000 . 5.000 3.882 3.803 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 10 ASN H 1 11 ILE HA 5.000 . 5.000 4.836 4.720 4.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 10 ASN QB 1 11 ILE H 3.400 . 3.400 3.604 3.116 3.967 0.567 27 1 "[ . 1 . 2 . + 3 . 4]" 1
161 1 10 ASN H 1 11 ILE H 3.400 . 3.400 2.258 2.085 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 11 ILE HA 1 11 ILE HB 2.800 . 2.800 3.020 3.016 3.024 0.224 18 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 11 ILE HA 1 11 ILE MD 3.400 . 3.400 3.805 3.751 3.836 0.436 37 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 11 ILE HB 1 11 ILE MD 3.400 . 3.400 2.467 2.411 2.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 11 ILE HA 1 11 ILE QG 3.400 . 3.400 2.431 2.369 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 11 ILE H 1 11 ILE HA 2.800 . 2.800 2.873 2.844 2.944 0.144 27 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 11 ILE H 1 11 ILE HB 2.800 . 2.800 2.587 2.520 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 11 ILE H 1 11 ILE MD 5.000 . 5.000 3.722 3.628 4.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 11 ILE H 1 11 ILE QG 3.400 . 3.400 2.138 1.989 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 11 ILE H 1 11 ILE MG 3.400 . 3.400 3.786 3.773 3.841 0.441 27 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 8 TRP HE1 1 12 THR MG 5.000 . 5.000 5.995 5.872 6.044 1.044 23 40 [***************-******+*****************] 1
172 1 8 TRP HE3 1 12 THR MG 5.000 . 5.000 3.313 2.852 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 8 TRP HZ2 1 12 THR MG 5.000 . 5.000 4.506 4.317 4.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 9 PHE HA 1 12 THR H 5.000 . 5.000 3.722 3.552 3.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 10 ASN HA 1 12 THR H 5.000 . 5.000 4.005 3.901 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 10 ASN QB 1 12 THR H 5.000 . 5.000 5.114 4.922 5.348 0.348 27 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 10 ASN H 1 12 THR H 5.000 . 5.000 4.102 3.943 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 11 ILE H 1 12 THR HA 5.000 . 5.000 5.046 4.653 5.176 0.176 26 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 11 ILE HB 1 12 THR MG 5.000 . 5.000 4.056 3.743 4.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 11 ILE H 1 12 THR MG 5.000 . 5.000 4.774 4.443 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 11 ILE HA 1 12 THR H 3.400 . 3.400 3.490 3.469 3.514 0.114 38 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 11 ILE HB 1 12 THR H 3.400 . 3.400 2.869 2.739 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 11 ILE MD 1 12 THR H 5.000 . 5.000 4.819 4.720 4.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 11 ILE QG 1 12 THR H 5.000 . 5.000 3.949 3.867 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 11 ILE H 1 12 THR H 2.800 . 2.800 2.411 1.972 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 12 THR HA 1 12 THR MG 2.800 . 2.800 2.068 1.911 2.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 12 THR H 1 12 THR HA 2.800 . 2.800 2.831 2.807 2.851 0.051 1 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 12 THR H 1 12 THR HB 2.800 . 2.800 3.464 3.353 3.525 0.725 34 40 [****************************-****+******] 1
189 1 12 THR H 1 12 THR MG 3.400 . 3.400 3.017 2.801 3.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 9 PHE HA 1 13 ASN QD 5.000 . 5.000 5.171 4.566 5.729 0.729 31 8 "[ -. * *1 . 2 ** . *+ . *]" 1
191 1 9 PHE HA 1 13 ASN H 5.000 . 5.000 5.998 5.866 6.042 1.042 21 40 [********************+******-************] 1
192 1 10 ASN QD 1 13 ASN QB 5.000 . 5.000 4.927 4.201 5.766 0.766 27 1 "[ . 1 . 2 . + 3 . 4]" 1
193 1 10 ASN QB 1 13 ASN QD 5.000 . 5.000 3.799 2.698 5.098 0.098 22 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 10 ASN HA 1 13 ASN H 3.400 . 3.400 4.004 3.830 4.302 0.902 27 32 "[ ********1******* -*****. +****** *** *]" 1
195 1 10 ASN QB 1 13 ASN H 5.000 . 5.000 5.144 4.889 5.491 0.491 27 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 10 ASN QD 1 13 ASN H 5.000 . 5.000 5.200 4.711 5.617 0.617 27 3 "[ - . 1 . 2 . + 3* . 4]" 1
197 1 11 ILE HA 1 13 ASN H 5.000 . 5.000 3.320 3.277 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 12 THR MG 1 13 ASN HA 5.000 . 5.000 5.342 5.168 5.448 0.448 34 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 12 THR H 1 13 ASN HA 5.000 . 5.000 5.153 5.077 5.219 0.219 27 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 12 THR H 1 13 ASN QB 5.000 . 5.000 4.543 4.187 5.226 0.226 27 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 12 THR HB 1 13 ASN H 3.400 . 3.400 3.958 3.781 4.047 0.647 34 32 "[*** ***********-** * ** ** * ** *+.*****]" 1
202 1 12 THR MG 1 13 ASN H 5.000 . 5.000 4.430 4.380 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 12 THR H 1 13 ASN H 2.800 . 2.800 2.703 2.654 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 13 ASN H 1 13 ASN QB 2.800 . 2.800 2.315 2.156 2.995 0.195 27 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 13 ASN H 1 13 ASN QD 5.000 . 5.000 2.743 2.129 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 8 TRP HA 1 14 TRP HE1 5.000 . 5.000 6.025 5.914 6.057 1.057 16 40 [***************+*********************-**] 1
207 1 10 ASN HA 1 14 TRP HE1 5.000 . 5.000 4.707 4.531 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 10 ASN QB 1 14 TRP HE1 5.000 . 5.000 3.939 3.400 4.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 10 ASN H 1 14 TRP HE1 5.000 . 5.000 5.292 5.156 5.505 0.505 27 1 "[ . 1 . 2 . + 3 . 4]" 1
210 1 11 ILE HA 1 14 TRP QB 3.400 . 3.400 4.906 4.850 4.981 1.581 25 40 [************************+***********-***] 1
211 1 11 ILE HA 1 14 TRP HD1 3.400 . 3.400 3.530 3.318 3.729 0.329 26 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 11 ILE QG 1 14 TRP HD1 5.000 . 5.000 5.260 5.041 5.358 0.358 26 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 11 ILE HA 1 14 TRP HE3 3.400 . 3.400 5.208 5.074 5.410 2.010 27 40 [*************************-+*************] 1
214 1 11 ILE QG 1 14 TRP HE3 5.000 . 5.000 6.022 5.941 6.073 1.073 30 40 [*****************************+*********-] 1
215 1 11 ILE MD 1 14 TRP HH2 5.000 . 5.000 3.367 3.093 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 11 ILE HA 1 14 TRP H 3.400 . 3.400 3.444 3.376 3.543 0.143 38 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 11 ILE MD 1 14 TRP HZ3 5.000 . 5.000 5.123 4.869 5.318 0.318 30 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 12 THR HA 1 14 TRP H 5.000 . 5.000 4.581 4.361 4.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 12 THR MG 1 14 TRP H 5.000 . 5.000 5.888 5.717 6.012 1.012 4 40 [***+*****************************-******] 1
220 1 13 ASN QB 1 14 TRP HD1 3.400 . 3.400 2.491 2.276 2.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 13 ASN QB 1 14 TRP H 3.400 . 3.400 2.550 2.404 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 14 TRP QB 1 14 TRP HD1 2.800 . 2.800 2.752 2.683 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 14 TRP HA 1 14 TRP HE3 3.400 . 3.400 4.783 4.669 4.829 1.429 11 40 [**********+**************************-**] 1
224 1 14 TRP QB 1 14 TRP HE3 2.800 . 2.800 2.416 2.399 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 14 TRP H 1 14 TRP HD1 2.800 . 2.800 2.230 2.123 2.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 14 TRP H 1 14 TRP HE3 5.000 . 5.000 4.782 4.666 4.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 14 TRP QB 1 14 TRP HZ3 5.000 . 5.000 4.685 4.669 4.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 8 TRP HZ3 1 15 LEU QD 5.000 . 5.000 3.259 2.835 3.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 11 ILE HA 1 15 LEU QD 5.000 . 5.000 3.728 3.628 3.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 11 ILE HA 1 15 LEU H 5.000 . 5.000 3.663 3.546 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 11 ILE QG 1 15 LEU H 5.000 . 5.000 5.410 5.308 5.563 0.563 1 6 "[+ .** 1 . 2 *- 3 *. 4]" 1
232 1 12 THR HA 1 15 LEU QB 3.400 . 3.400 3.632 3.501 3.745 0.345 23 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 12 THR HA 1 15 LEU QD 3.400 . 3.400 2.000 1.975 2.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 12 THR MG 1 15 LEU QD 5.000 . 5.000 2.120 1.961 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 12 THR H 1 15 LEU QD 5.000 . 5.000 3.126 3.010 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 12 THR HA 1 15 LEU HG 5.000 . 5.000 2.343 2.235 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 12 THR HA 1 15 LEU H 3.400 . 3.400 3.970 3.779 4.072 0.672 4 34 "[- +******** *.*********.******** ******]" 1
238 1 12 THR MG 1 15 LEU H 5.000 . 5.000 5.422 5.250 5.538 0.538 4 5 "[ +. 1 .- 2* * . * 3 . 4]" 1
239 1 14 TRP HE3 1 15 LEU HA 5.000 . 5.000 3.471 3.066 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 14 TRP HD1 1 15 LEU QB 5.000 . 5.000 5.515 5.394 5.698 0.698 1 24 "[+****** ** *** -**2 ** * * ** ***]" 1
241 1 14 TRP QB 1 15 LEU QB 5.000 . 5.000 4.554 4.504 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 14 TRP HE3 1 15 LEU QB 5.000 . 5.000 3.915 3.566 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 14 TRP H 1 15 LEU QB 5.000 . 5.000 4.073 3.963 4.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 14 TRP HE1 1 15 LEU QD 5.000 . 5.000 5.463 5.354 5.598 0.598 1 8 "[+ . * 1 . *2 ** - *. * 4]" 1
245 1 14 TRP H 1 15 LEU QD 5.000 . 5.000 4.452 4.365 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 14 TRP HZ2 1 15 LEU QD 5.000 . 5.000 5.326 5.139 5.436 0.436 21 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 14 TRP HE3 1 15 LEU QD 5.000 . 5.000 5.160 4.880 5.263 0.263 32 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 14 TRP QB 1 15 LEU H 3.400 . 3.400 3.289 3.254 3.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 14 TRP HD1 1 15 LEU H 5.000 . 5.000 4.065 3.956 4.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 14 TRP HE3 1 15 LEU H 5.000 . 5.000 3.683 3.364 3.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 14 TRP H 1 15 LEU H 2.800 . 2.800 2.266 2.151 2.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 15 LEU HA 1 15 LEU QB 2.800 . 2.800 2.147 2.144 2.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 15 LEU HA 1 15 LEU HG 2.800 . 2.800 3.661 3.642 3.677 0.877 35 40 [***************************-******+*****] 1
254 1 15 LEU H 1 15 LEU HA 2.800 . 2.800 2.796 2.779 2.815 0.015 15 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 15 LEU H 1 15 LEU QB 2.800 . 2.800 2.128 2.112 2.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 15 LEU H 1 15 LEU QD 5.000 . 5.000 3.276 3.242 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 15 LEU H 1 15 LEU HG 3.400 . 3.400 3.201 3.130 3.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 12 THR MG 1 16 TRP HD1 5.000 . 5.000 5.876 5.454 6.035 1.035 18 39 "[*************** *+*********-************]" 1
259 1 12 THR MG 1 16 TRP HE1 5.000 . 5.000 5.452 4.931 5.649 0.649 8 17 "[* *** *+*1- . * 2 ** ** 3* * . ** 4]" 1
260 1 12 THR MG 1 16 TRP HE3 5.000 . 5.000 2.829 2.570 3.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 12 THR HA 1 16 TRP HH2 5.000 . 5.000 5.805 5.557 6.018 1.018 1 40 [+**************-************************] 1
262 1 12 THR MG 1 16 TRP HH2 5.000 . 5.000 3.537 3.296 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 13 ASN HA 1 16 TRP QB 2.800 . 2.800 3.432 3.322 3.508 0.708 24 40 [******-****************+****************] 1
264 1 13 ASN QB 1 16 TRP QB 5.000 . 5.000 4.938 4.852 5.017 0.017 34 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 13 ASN HA 1 16 TRP HD1 5.000 . 5.000 6.004 5.844 6.034 1.034 37 40 [***************-********************+***] 1
266 1 13 ASN HA 1 16 TRP HE1 5.000 . 5.000 7.668 7.486 7.837 2.837 30 40 [******************-**********+**********] 1
267 1 13 ASN HA 1 16 TRP HE3 5.000 . 5.000 5.905 5.734 6.005 1.005 29 40 [******************-*********+***********] 1
268 1 14 TRP H 1 16 TRP HA 5.000 . 5.000 6.562 6.463 6.679 1.679 38 40 [*******************-*****************+**] 1
269 1 15 LEU QD 1 16 TRP HA 5.000 . 5.000 2.837 2.622 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 15 LEU QD 1 16 TRP HD1 5.000 . 5.000 5.667 5.557 5.798 0.798 24 40 [***********************+*****-**********] 1
271 1 15 LEU HA 1 16 TRP HE3 3.400 . 3.400 5.319 5.175 5.543 2.143 9 40 [********+******-************************] 1
272 1 15 LEU QB 1 16 TRP HE3 5.000 . 5.000 4.085 3.984 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 15 LEU QD 1 16 TRP HE3 5.000 . 5.000 1.978 1.918 2.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 15 LEU QD 1 16 TRP HH2 5.000 . 5.000 4.117 3.988 4.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 15 LEU QB 1 16 TRP H 3.400 . 3.400 3.364 3.292 3.408 0.008 24 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 15 LEU QD 1 16 TRP H 5.000 . 5.000 3.142 3.069 3.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 15 LEU QB 1 16 TRP HZ3 5.000 . 5.000 5.177 5.018 5.484 0.484 9 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 16 TRP HA 1 16 TRP QB 2.800 . 2.800 2.542 2.538 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 16 TRP HA 1 16 TRP HD1 3.400 . 3.400 4.132 4.037 4.203 0.803 16 40 [***************+*************-**********] 1
280 1 16 TRP QB 1 16 TRP HD1 2.800 . 2.800 2.494 2.490 2.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 16 TRP HA 1 16 TRP HE3 3.400 . 3.400 2.726 2.586 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 16 TRP QB 1 16 TRP HE3 2.800 . 2.800 2.917 2.829 2.998 0.198 16 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 16 TRP H 1 16 TRP HA 2.800 . 2.800 2.827 2.812 2.838 0.038 1 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 16 TRP H 1 16 TRP HD1 3.400 . 3.400 5.419 5.410 5.430 2.030 27 40 [***************-**********+*************] 1
285 1 16 TRP H 1 16 TRP HE3 5.000 . 5.000 3.062 2.913 3.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 14 TRP HA 1 17 TYR QB 5.000 . 5.000 2.355 2.231 2.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 14 TRP HD1 1 17 TYR QB 5.000 . 5.000 6.059 6.025 6.084 1.084 32 40 [-******************************+********] 1
288 1 14 TRP HE3 1 17 TYR QB 5.000 . 5.000 5.749 5.542 5.940 0.940 11 40 [**********+**************************-**] 1
289 1 14 TRP HA 1 17 TYR QD 5.000 . 5.000 3.299 2.796 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 14 TRP HA 1 17 TYR QE 5.000 . 5.000 5.336 4.805 5.741 0.741 24 7 "[ . 1 *.* 2 +. 3 **-* 4]" 1
291 1 14 TRP HA 1 17 TYR H 5.000 . 5.000 3.181 3.095 3.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 15 LEU H 1 17 TYR H 5.000 . 5.000 3.971 3.872 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 16 TRP HD1 1 17 TYR HA 5.000 . 5.000 5.619 5.381 5.846 0.846 34 34 "[*** *** ************** **** 3*-*+******]" 1
294 1 16 TRP QB 1 17 TYR QB 5.000 . 5.000 3.944 3.900 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 16 TRP HE3 1 17 TYR QB 5.000 . 5.000 6.734 6.626 6.841 1.841 9 40 [********+************************-******] 1
296 1 16 TRP H 1 17 TYR QD 5.000 . 5.000 5.501 5.266 5.712 0.712 33 24 "[ * . * *1 * **** -2 ***. * *3**+*******]" 1
297 1 16 TRP QB 1 17 TYR QE 5.000 . 5.000 7.478 7.395 7.557 2.557 14 40 [*************+**********-***************] 1
298 1 16 TRP QB 1 17 TYR H 3.400 . 3.400 2.866 2.731 3.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 16 TRP HD1 1 17 TYR H 5.000 . 5.000 5.560 5.374 5.759 0.759 15 30 "[*** *** *****+**-** ** .*** ** *.*****]" 1
300 1 16 TRP HE3 1 17 TYR H 5.000 . 5.000 5.160 5.028 5.283 0.283 9 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 16 TRP H 1 17 TYR H 2.800 . 2.800 2.513 2.461 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 17 TYR QB 1 17 TYR QD 2.800 . 2.800 2.137 2.135 2.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 17 TYR HA 1 17 TYR QE 5.000 . 5.000 5.106 5.000 5.216 0.216 4 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 17 TYR H 1 17 TYR QB 2.800 . 2.800 2.078 2.050 2.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 17 TYR H 1 17 TYR QD 3.400 . 3.400 3.679 3.511 3.865 0.465 33 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 17 TYR H 1 17 TYR QE 5.000 . 5.000 5.803 5.675 5.951 0.951 33 40 [***-****************************+*******] 1
307 1 14 TRP QB 1 18 ILE MD 5.000 . 5.000 3.019 2.555 3.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 14 TRP HD1 1 18 ILE MD 5.000 . 5.000 5.932 5.705 6.018 1.018 23 40 [**********************+**************-**] 1
309 1 14 TRP HE3 1 18 ILE MD 5.000 . 5.000 2.029 1.885 2.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 14 TRP HH2 1 18 ILE MD 5.000 . 5.000 5.016 4.852 5.131 0.131 34 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 14 TRP HZ2 1 18 ILE MD 5.000 . 5.000 5.992 5.878 6.048 1.048 25 40 [************************+**************-] 1
312 1 14 TRP HZ3 1 18 ILE MD 5.000 . 5.000 3.151 2.982 3.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 14 TRP HE3 1 18 ILE QG 5.000 . 5.000 3.705 3.506 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 14 TRP HE3 1 18 ILE MG 5.000 . 5.000 5.191 5.024 5.440 0.440 32 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 14 TRP HA 1 18 ILE H 5.000 . 5.000 4.503 4.377 4.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 15 LEU QD 1 18 ILE HB 5.000 . 5.000 3.784 3.769 3.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 15 LEU HA 1 18 ILE MD 3.400 . 3.400 1.741 1.501 1.968 0.299 2 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 15 LEU H 1 18 ILE MD 5.000 . 5.000 3.567 3.383 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 15 LEU HA 1 18 ILE QG 5.000 . 5.000 2.884 2.561 3.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 16 TRP HA 1 18 ILE H 5.000 . 5.000 4.110 3.830 4.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 16 TRP QB 1 18 ILE H 5.000 . 5.000 4.608 4.462 4.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 16 TRP H 1 18 ILE H 5.000 . 5.000 3.917 3.837 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 17 TYR QD 1 18 ILE HA 3.400 . 3.400 3.757 3.575 4.023 0.623 38 2 "[ . 1 . 2 - 3 . + 4]" 1
324 1 17 TYR QE 1 18 ILE HA 5.000 . 5.000 4.142 3.961 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 17 TYR QD 1 18 ILE HB 5.000 . 5.000 4.694 4.484 4.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 17 TYR QD 1 18 ILE MD 5.000 . 5.000 3.508 2.858 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 17 TYR QE 1 18 ILE MD 5.000 . 5.000 4.222 3.737 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 17 TYR QD 1 18 ILE QG 5.000 . 5.000 2.236 1.934 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 17 TYR QD 1 18 ILE MG 5.000 . 5.000 4.661 4.415 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 17 TYR QE 1 18 ILE MG 5.000 . 5.000 4.693 4.435 4.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 17 TYR QB 1 18 ILE H 3.400 . 3.400 3.065 2.856 3.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 17 TYR QD 1 18 ILE H 5.000 . 5.000 3.165 2.995 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 18 ILE HA 1 18 ILE HB 2.800 . 2.800 3.023 3.018 3.025 0.225 25 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 18 ILE HA 1 18 ILE MD 3.400 . 3.400 3.897 3.839 3.938 0.538 24 17 "[ . *- 1 . ***2***+* **3 * *** * 4]" 1
335 1 18 ILE HB 1 18 ILE MD 3.400 . 3.400 2.231 2.075 2.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 18 ILE HA 1 18 ILE QG 3.400 . 3.400 2.479 2.380 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 18 ILE H 1 18 ILE HA 2.800 . 2.800 2.860 2.823 2.925 0.125 38 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 18 ILE H 1 18 ILE HB 2.800 . 2.800 2.538 2.420 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 18 ILE H 1 18 ILE MD 5.000 . 5.000 3.301 3.036 3.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 18 ILE H 1 18 ILE QG 3.400 . 3.400 2.140 1.968 2.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 15 LEU QD 1 19 LYS QE 5.000 . 5.000 2.732 2.046 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 15 LEU QD 1 19 LYS QG 5.000 . 5.000 2.943 1.970 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 15 LEU QD 1 19 LYS H 5.000 . 5.000 3.600 2.996 3.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 16 TRP HA 1 19 LYS HB2 5.000 . 5.000 3.448 2.530 5.884 0.884 34 1 "[ . 1 . 2 . 3 +. 4]" 1
345 1 16 TRP HA 1 19 LYS HB3 5.000 . 5.000 4.630 3.354 5.726 0.726 15 3 "[ - . * 1 + 2 . 3 . 4]" 1
346 1 18 ILE MD 1 19 LYS HA 5.000 . 5.000 5.818 5.596 5.964 0.964 10 40 [*********+***************************-**] 1
347 1 18 ILE HA 1 19 LYS H 3.400 . 3.400 3.539 3.440 3.572 0.172 3 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 18 ILE MD 1 19 LYS H 5.000 . 5.000 4.212 3.568 4.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 18 ILE QG 1 19 LYS H 5.000 . 5.000 3.957 3.742 4.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 19 LYS HA 1 19 LYS HB2 2.800 . 2.800 2.914 2.364 3.025 0.225 13 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 19 LYS HA 1 19 LYS HB3 2.800 . 2.800 2.620 2.273 3.024 0.224 38 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 19 LYS HA 1 19 LYS QD 5.000 . 5.000 3.514 2.409 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 19 LYS HA 1 19 LYS QG 3.400 . 3.400 2.390 2.015 3.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 19 LYS H 1 19 LYS HA 2.800 . 2.800 2.858 2.764 2.932 0.132 24 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 19 LYS H 1 19 LYS HB2 2.800 . 2.800 2.409 2.069 3.639 0.839 30 2 "[ . 1 . 2 . + . - 4]" 1
356 1 19 LYS H 1 19 LYS QD 5.000 . 5.000 3.878 2.083 4.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 19 LYS H 1 19 LYS QG 3.400 . 3.400 2.885 1.963 3.977 0.577 24 3 "[ . 1 . 2 +. 3 -. * 4]" 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 70
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 1 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 2 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 TRP HH2 1 3 ALA MB 6.000 . 6.000 5.552 5.009 5.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 1 LYS HA 1 4 SER H 6.000 . 6.000 3.998 3.806 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 1 LYS HA 1 2 TRP QB 6.000 . 6.000 4.301 4.155 4.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 1 LYS HA 1 2 TRP HD1 6.000 . 6.000 3.903 2.934 4.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 2 TRP QB 1 5 LEU QD 6.000 . 6.000 2.180 1.932 2.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 2 TRP QB 1 5 LEU HG 6.000 . 6.000 3.334 3.078 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 4 SER H 1 5 LEU QD 6.000 . 6.000 3.305 3.056 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 2 TRP HB2 1 3 ALA HA 6.000 . 6.000 3.907 3.542 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 2 TRP HB2 1 4 SER H 6.000 . 6.000 4.219 3.986 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 5 LEU QD 1 6 TRP HZ3 6.000 . 6.000 5.352 5.078 5.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 5 LEU QD 1 8 TRP QB 6.000 . 6.000 2.604 2.343 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 5 LEU HA 1 8 TRP HD1 6.000 . 6.000 2.427 2.046 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 4 SER H 1 6 TRP H 6.000 . 6.000 3.685 3.470 3.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 4 SER H 1 7 ASN QB 6.000 . 6.000 3.157 2.123 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 8 TRP H 1 8 TRP HD1 6.000 . 6.000 2.911 2.718 3.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 2 TRP HD1 1 4 SER H 6.000 . 6.000 5.206 5.115 5.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 6 TRP HE3 1 9 PHE QB 6.000 . 6.000 3.985 3.623 4.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 6 TRP HA 1 9 PHE QB 6.000 . 6.000 1.931 1.829 2.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 6 TRP HA 1 9 PHE H 6.000 . 6.000 2.792 2.650 3.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 8 TRP HD1 1 9 PHE H 6.000 . 6.000 3.125 2.963 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 6 TRP HE3 1 10 ASN H 6.000 . 6.000 3.696 3.435 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 10 ASN QB 1 13 ASN QB 6.000 . 6.000 4.358 3.907 5.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 5 LEU QD 1 6 TRP HD1 6.000 . 6.000 4.417 3.776 4.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 6 TRP HZ3 1 11 ILE MG 6.000 . 6.000 3.221 2.816 3.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 7 ASN HA 1 11 ILE HB 6.000 . 6.000 4.808 4.759 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 7 ASN HA 1 11 ILE MG 6.000 . 6.000 5.222 5.174 5.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 7 ASN HA 1 11 ILE H 6.000 . 6.000 3.317 3.068 3.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 8 TRP HA 1 11 ILE MG 6.000 . 6.000 3.781 3.558 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 8 TRP HE3 1 11 ILE MG 6.000 . 6.000 2.683 2.544 2.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 8 TRP HH2 1 11 ILE MG 6.000 . 6.000 2.339 2.200 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 8 TRP HD1 1 11 ILE H 6.000 . 6.000 4.982 4.711 5.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 8 TRP HA 1 12 THR H 6.000 . 6.000 3.585 3.457 3.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 4 SER HB3 1 5 LEU QD 6.000 . 6.000 5.137 4.542 5.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 11 ILE MG 1 12 THR HA 6.000 . 6.000 1.993 1.968 2.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 11 ILE MG 1 12 THR HB 6.000 . 6.000 3.787 3.640 3.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 5 LEU QD 1 12 THR MG 6.000 . 6.000 5.224 4.984 5.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 11 ILE MG 1 12 THR MG 6.000 . 6.000 2.114 1.957 2.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 11 ILE MG 1 12 THR H 6.000 . 6.000 2.981 2.900 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 11 ILE MG 1 13 ASN H 6.000 . 6.000 3.616 3.545 3.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 12 THR HA 1 13 ASN H 6.000 . 6.000 2.946 2.844 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 9 PHE HD2 1 10 ASN QB 6.000 . 6.000 4.572 3.967 5.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 11 ILE MG 1 14 TRP QB 6.000 . 6.000 3.528 3.456 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 2 TRP HZ2 1 5 LEU QD 6.000 . 6.000 5.116 4.821 5.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 11 ILE MG 1 14 TRP HH2 6.000 . 6.000 2.825 2.624 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 11 ILE MG 1 14 TRP H 6.000 . 6.000 3.792 3.622 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 14 TRP QB 1 15 LEU QD 6.000 . 6.000 3.637 3.522 3.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 14 TRP HZ3 1 15 LEU QD 6.000 . 6.000 4.870 4.584 5.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
48 1 11 ILE MG 1 14 TRP HE1 6.000 . 6.000 3.737 3.550 3.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 11 ILE MG 1 14 TRP HZ3 6.000 . 6.000 3.603 3.504 3.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 13 ASN HA 1 15 LEU H 6.000 . 6.000 3.463 3.439 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 13 ASN H 1 14 TRP H 6.000 . 6.000 2.352 2.282 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 13 ASN H 1 15 LEU HG 6.000 . 6.000 2.156 2.020 2.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 13 ASN H 1 15 LEU H 6.000 . 6.000 2.589 2.523 2.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 11 ILE MG 1 17 TYR QD 6.000 . 6.000 5.752 5.638 5.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
55 1 6 TRP HA 1 9 PHE QB 6.000 . 6.000 1.849 1.775 1.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
56 1 14 TRP QB 1 17 TYR QD 6.000 . 6.000 3.196 2.919 3.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
57 1 16 TRP HA 1 17 TYR H 6.000 . 6.000 3.144 2.906 3.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
58 1 15 LEU HA 1 18 ILE HB 6.000 . 6.000 2.702 2.448 2.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
59 1 11 ILE MG 1 18 ILE H 6.000 . 6.000 4.257 4.047 4.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
60 1 15 LEU QD 1 17 TYR QB 6.000 . 6.000 4.983 4.907 5.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
61 1 9 PHE QB 1 15 LEU QD 6.000 . 6.000 4.855 4.790 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
62 1 15 LEU HA 1 18 ILE H 6.000 . 6.000 2.894 2.785 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
63 1 17 TYR H 1 18 ILE H 6.000 . 6.000 2.208 2.098 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
64 1 12 THR HB 1 15 LEU QD 6.000 . 6.000 3.259 2.979 3.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
65 1 15 LEU QD 1 19 LYS QE 6.000 . 6.000 2.708 2.044 3.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
66 1 15 LEU QD 1 19 LYS QG 6.000 . 6.000 2.769 1.938 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
67 1 17 TYR H 1 18 ILE HB 6.000 . 6.000 2.438 1.836 3.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
68 1 17 TYR H 1 18 ILE QG 6.000 . 6.000 3.452 3.271 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
69 1 15 LEU QD 1 19 LYS H 6.000 . 6.000 3.080 2.545 3.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
70 1 10 ASN QB 1 12 THR HB 6.000 . 6.000 4.542 2.816 5.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
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