NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
435967 |
2k02   |
15634 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k02
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 44
_Distance_constraint_stats_list.Viol_count 46
_Distance_constraint_stats_list.Viol_total 149.420
_Distance_constraint_stats_list.Viol_max 0.592
_Distance_constraint_stats_list.Viol_rms 0.0572
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.1624
_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 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.132 0.132 7 0 "[ . 1 . 2]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.132 0.132 7 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.042 0.032 10 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.042 0.032 10 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.132 0.132 7 0 "[ . 1 . 2]"
1 35 ALA 0.042 0.032 10 0 "[ . 1 . 2]"
1 36 MET 0.042 0.032 10 0 "[ . 1 . 2]"
1 38 GLU 3.620 0.565 10 4 "[ . + * .* - 2]"
1 39 ARG 3.620 0.565 10 4 "[ . + * .* - 2]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 MET 0.057 0.024 6 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.057 0.024 6 0 "[ . 1 . 2]"
1 49 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.191 0.191 4 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.027 0.025 10 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 2.647 0.592 10 2 "[ . + . -2]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.636 0.150 17 0 "[ . 1 . 2]"
1 63 SER 2.647 0.592 10 2 "[ . + . -2]"
1 64 CYS 0.177 0.103 14 0 "[ . 1 . 2]"
1 66 GLU 0.191 0.191 4 0 "[ . 1 . 2]"
1 68 LYS 0.636 0.150 17 0 "[ . 1 . 2]"
1 69 ALA 0.146 0.060 9 0 "[ . 1 . 2]"
1 70 ALA 0.146 0.060 9 0 "[ . 1 . 2]"
1 71 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.057 0.024 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER H 1 6 GLU H 3.400 . 4.800 3.868 3.527 4.156 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU MD1 1 6 GLU H 4.700 . 6.000 3.692 3.478 3.922 . 0 0 "[ . 1 . 2]" 1
3 1 6 GLU H 1 8 ARG H 2.900 . 4.000 3.520 3.443 3.641 . 0 0 "[ . 1 . 2]" 1
4 1 10 MET H 1 10 MET HA 2.700 . 3.600 2.666 2.643 2.700 . 0 0 "[ . 1 . 2]" 1
5 1 7 VAL H 1 11 LEU QD 6.000 . 6.000 4.093 3.744 4.393 . 0 0 "[ . 1 . 2]" 1
6 1 14 GLN HA 1 15 GLY H 3.300 . 4.700 2.766 1.977 2.823 . 0 0 "[ . 1 . 2]" 1
7 1 21 GLN H 1 22 LEU QD 5.800 . 6.000 4.289 3.463 4.657 . 0 0 "[ . 1 . 2]" 1
8 1 19 ALA HA 1 21 GLN H 3.900 . 5.800 4.008 3.602 4.356 . 0 0 "[ . 1 . 2]" 1
9 1 22 LEU HG 1 23 SER H 6.000 . 6.000 3.476 2.022 4.039 . 0 0 "[ . 1 . 2]" 1
10 1 24 ALA HA 1 26 LEU H 3.600 . 5.200 3.264 3.171 3.355 . 0 0 "[ . 1 . 2]" 1
11 1 32 LEU H 1 32 LEU MD2 4.300 . 6.000 3.524 3.400 3.637 . 0 0 "[ . 1 . 2]" 1
12 1 41 GLU HA 1 43 MET H 3.800 . 5.600 3.120 3.080 3.286 . 0 0 "[ . 1 . 2]" 1
13 1 42 ALA H 1 43 MET H 3.000 . 4.100 2.199 2.067 2.378 . 0 0 "[ . 1 . 2]" 1
14 1 41 GLU HA 1 44 GLY H 3.400 . 4.900 2.322 2.250 2.393 . 0 0 "[ . 1 . 2]" 1
15 1 49 ILE H 1 74 GLU HA 3.700 . 5.400 3.921 3.629 4.171 . 0 0 "[ . 1 . 2]" 1
16 1 57 LEU HA 1 58 SER H 2.900 . 4.000 2.343 2.081 2.793 . 0 0 "[ . 1 . 2]" 1
17 1 57 LEU HA 1 59 GLY H 3.300 . 4.700 3.103 2.751 3.360 . 0 0 "[ . 1 . 2]" 1
18 1 18 GLU HA 1 76 TRP H 3.000 . 4.100 2.051 1.906 2.181 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU HA 1 5 MET HA 6.000 . 6.000 4.706 4.656 4.749 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU HA 1 4 LEU MD2 3.100 . 4.300 2.811 2.517 3.017 . 0 0 "[ . 1 . 2]" 1
21 1 5 MET HB2 1 6 GLU H 2.400 . 3.100 2.396 2.250 2.599 . 0 0 "[ . 1 . 2]" 1
22 1 16 ARG HA 1 16 ARG HG2 3.800 . 5.600 2.575 2.132 3.122 . 0 0 "[ . 1 . 2]" 1
23 1 19 ALA HA 1 22 LEU QD 3.600 . 5.200 2.622 1.868 3.242 0.132 7 0 "[ . 1 . 2]" 1
24 1 24 ALA HA 1 27 GLN H 2.400 . 3.100 2.918 2.763 3.132 0.032 10 0 "[ . 1 . 2]" 1
25 1 4 LEU HA 1 28 THR MG 6.000 . 6.000 5.262 4.040 5.766 . 0 0 "[ . 1 . 2]" 1
26 1 32 LEU HA 1 32 LEU HB2 2.800 . 3.800 2.372 2.270 2.452 . 0 0 "[ . 1 . 2]" 1
27 1 38 GLU H 1 38 GLU HG2 2.700 . 3.600 3.646 2.311 4.165 0.565 10 4 "[ . + * .* - 2]" 1
28 1 49 ILE MG 1 74 GLU HA 6.000 . 6.000 4.373 4.150 4.676 . 0 0 "[ . 1 . 2]" 1
29 1 52 THR H 1 52 THR HB 3.600 . 5.200 2.912 2.301 3.126 . 0 0 "[ . 1 . 2]" 1
30 1 51 GLU HA 1 52 THR MG 3.100 . 4.300 2.946 2.337 3.057 . 0 0 "[ . 1 . 2]" 1
31 1 53 SER H 1 53 SER HA 3.000 . 4.100 2.600 2.108 2.816 . 0 0 "[ . 1 . 2]" 1
32 1 54 GLU HA 1 54 GLU HB2 2.000 . 2.500 2.259 2.150 2.691 0.191 4 0 "[ . 1 . 2]" 1
33 1 58 SER HA 1 58 SER HB2 3.900 . 5.800 2.287 2.180 2.373 . 0 0 "[ . 1 . 2]" 1
34 1 60 SER H 1 60 SER HB2 2.100 . 2.700 2.639 2.257 3.292 0.592 10 2 "[ . + . -2]" 1
35 1 53 SER HA 1 53 SER HB2 3.800 . 5.600 2.143 2.043 2.521 . 0 0 "[ . 1 . 2]" 1
36 1 58 SER HA 1 60 SER HA 6.000 . 6.000 5.786 5.197 6.025 0.025 10 0 "[ . 1 . 2]" 1
37 1 62 LYS HA 1 62 LYS HB2 1.900 . 2.300 2.270 2.162 2.450 0.150 17 0 "[ . 1 . 2]" 1
38 1 60 SER HA 1 60 SER HB2 2.000 . 2.500 2.315 2.184 2.698 0.198 14 0 "[ . 1 . 2]" 1
39 1 60 SER H 1 60 SER HA 1.900 . 2.400 2.100 1.931 2.503 0.103 14 0 "[ . 1 . 2]" 1
40 1 69 ALA HA 1 70 ALA H 2.700 . 3.600 2.336 2.075 2.593 . 0 0 "[ . 1 . 2]" 1
41 1 69 ALA MB 1 70 ALA H 1.700 . 2.200 2.059 1.863 2.260 0.060 9 0 "[ . 1 . 2]" 1
42 1 61 CYS H 1 61 CYS HA 4.600 . 6.000 2.105 1.961 2.502 . 0 0 "[ . 1 . 2]" 1
43 1 43 MET H 1 45 LYS HA 5.900 . 6.000 5.960 5.798 6.024 0.024 6 0 "[ . 1 . 2]" 1
44 1 7 VAL QG 1 33 ILE MG 6.000 . 6.000 3.665 3.315 3.999 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 455
_Distance_constraint_stats_list.Viol_count 625
_Distance_constraint_stats_list.Viol_total 2789.690
_Distance_constraint_stats_list.Viol_max 1.740
_Distance_constraint_stats_list.Viol_rms 0.1125
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.2232
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.040 0.019 12 0 "[ . 1 . 2]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.860 0.426 9 0 "[ . 1 . 2]"
1 5 MET 0.069 0.022 11 0 "[ . 1 . 2]"
1 6 GLU 0.040 0.019 12 0 "[ . 1 . 2]"
1 7 VAL 5.157 0.407 4 0 "[ . 1 . 2]"
1 8 ARG 4.926 0.803 19 2 "[ . - . +2]"
1 9 ASP 6.783 0.803 19 2 "[ . - . +2]"
1 10 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 5.933 0.463 9 0 "[ . 1 . 2]"
1 12 ALA 0.884 0.074 3 0 "[ . 1 . 2]"
1 13 LEU 3.125 0.764 9 3 "[ . *+1 - . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.043 0.023 13 0 "[ . 1 . 2]"
1 16 ARG 25.185 1.740 4 19 "[* *+****-***********]"
1 17 MET 2.640 0.280 10 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.781 0.085 8 0 "[ . 1 . 2]"
1 20 LYS 10.338 1.254 3 9 "[ + .** 1* *-. ***]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 1.683 0.338 19 0 "[ . 1 . 2]"
1 23 SER 6.353 0.810 4 8 "[***+.*- 1 * * 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 2.907 0.689 19 2 "[ -. 1 . +2]"
1 27 GLN 0.193 0.032 4 0 "[ . 1 . 2]"
1 28 THR 0.191 0.077 7 0 "[ . 1 . 2]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PRO 7.460 1.521 16 6 "[ .* * 1 .+ -**]"
1 32 LEU 19.942 1.179 12 20 [***********+*******-]
1 33 ILE 20.233 1.179 12 20 [***********+*******-]
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 1.469 0.082 9 0 "[ . 1 . 2]"
1 36 MET 2.490 0.426 9 0 "[ . 1 . 2]"
1 37 LEU 0.470 0.111 9 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ARG 4.263 0.800 6 3 "[* .+ 1 .- 2]"
1 40 MET 15.875 1.552 17 9 "[ *. - ** **.*+* 2]"
1 41 GLU 4.575 0.800 6 3 "[* .+ 1 .- 2]"
1 42 ALA 6.049 0.829 1 7 "[+ - * * * . * *]"
1 43 MET 5.609 0.829 1 7 "[+ - * * * . * *]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 12.651 1.552 17 9 "[ *. - ** **.*+* 2]"
1 46 VAL 0.265 0.057 16 0 "[ . 1 . 2]"
1 47 VAL 1.080 0.205 20 0 "[ . 1 . 2]"
1 48 ARG 0.162 0.063 6 0 "[ . 1 . 2]"
1 49 ILE 0.065 0.020 2 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 0.042 0.025 10 0 "[ . 1 . 2]"
1 53 SER 0.026 0.026 12 0 "[ . 1 . 2]"
1 54 GLU 3.013 0.425 9 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 0.053 0.027 4 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.023 0.023 19 0 "[ . 1 . 2]"
1 60 SER 0.023 0.023 19 0 "[ . 1 . 2]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.015 0.014 7 0 "[ . 1 . 2]"
1 66 GLU 1.041 0.523 18 2 "[ -. 1 . + 2]"
1 67 GLY 6.662 0.457 5 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 CYS 7.450 1.521 16 6 "[ .* * 1 .+ -**]"
1 72 ARG 3.221 1.127 6 3 "[ .+ 1 . - *]"
1 73 GLN 0.158 0.042 9 0 "[ . 1 . 2]"
1 74 GLU 13.005 1.254 3 9 "[ + .** 1* *-. ***]"
1 75 TRP 0.597 0.104 18 0 "[ . 1 . 2]"
1 76 TRP 0.101 0.063 6 0 "[ . 1 . 2]"
1 77 ALA 25.377 1.740 4 19 "[* *+****-***********]"
1 78 LEU 2.460 0.463 9 0 "[ . 1 . 2]"
1 79 ARG 0.033 0.020 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER H 1 3 SER HB2 3.700 . 5.400 2.974 2.451 3.836 . 0 0 "[ . 1 . 2]" 2
2 1 3 SER H 1 3 SER HA 3.000 . 4.100 2.928 2.886 2.949 . 0 0 "[ . 1 . 2]" 2
3 1 3 SER H 1 6 GLU H 2.400 . 6.000 4.044 3.604 4.437 . 0 0 "[ . 1 . 2]" 2
4 1 3 SER H 1 6 GLU HB2 3.400 . 6.000 4.269 3.626 4.974 . 0 0 "[ . 1 . 2]" 2
5 1 16 ARG HG2 1 77 ALA H 5.200 . 6.000 7.248 5.948 7.740 1.740 4 19 "[* *+****-***********]" 2
6 1 3 SER HB2 1 4 LEU H 6.000 . 6.000 3.172 1.941 3.811 . 0 0 "[ . 1 . 2]" 2
7 1 3 SER HA 1 4 LEU H 3.300 . 4.700 2.522 2.311 2.711 . 0 0 "[ . 1 . 2]" 2
8 1 5 MET H 1 6 GLU H 3.300 . 4.700 2.777 2.601 2.943 . 0 0 "[ . 1 . 2]" 2
9 1 4 LEU H 1 5 MET H 3.300 . 4.700 2.582 2.415 2.738 . 0 0 "[ . 1 . 2]" 2
10 1 4 LEU HG 1 5 MET H 3.500 . 5.100 2.876 2.624 3.096 . 0 0 "[ . 1 . 2]" 2
11 1 4 LEU HB2 1 5 MET H 4.000 . 6.000 4.096 3.983 4.174 . 0 0 "[ . 1 . 2]" 2
12 1 4 LEU HA 1 5 MET H 2.300 . 6.000 3.418 3.392 3.450 . 0 0 "[ . 1 . 2]" 2
13 1 4 LEU MD2 1 5 MET H 2.700 . 6.000 4.395 4.220 4.530 . 0 0 "[ . 1 . 2]" 2
14 1 2 ALA HA 1 6 GLU H 6.000 . 6.000 5.714 5.004 6.019 0.019 12 0 "[ . 1 . 2]" 2
15 1 7 VAL H 1 7 VAL HB 3.300 . 4.700 2.832 2.472 3.620 . 0 0 "[ . 1 . 2]" 2
16 1 7 VAL H 1 7 VAL QG 3.500 . 3.500 1.978 1.855 2.136 0.145 15 0 "[ . 1 . 2]" 2
17 1 7 VAL H 1 8 ARG HB2 4.500 . 6.000 5.010 4.493 5.159 . 0 0 "[ . 1 . 2]" 2
18 1 6 GLU HA 1 7 VAL H 3.700 . 5.400 3.571 3.553 3.575 . 0 0 "[ . 1 . 2]" 2
19 1 7 VAL H 1 8 ARG H 3.300 . 4.700 2.656 2.586 2.736 . 0 0 "[ . 1 . 2]" 2
20 1 7 VAL H 1 9 ASP H 3.800 . 5.600 4.686 4.423 4.839 . 0 0 "[ . 1 . 2]" 2
21 1 8 ARG H 1 8 ARG HB2 3.000 . 4.100 2.551 2.182 2.653 . 0 0 "[ . 1 . 2]" 2
22 1 7 VAL HB 1 8 ARG H 4.400 . 6.000 3.417 2.592 4.044 . 0 0 "[ . 1 . 2]" 2
23 1 7 VAL QG 1 8 ARG H 3.000 . 4.200 2.697 2.005 3.391 . 0 0 "[ . 1 . 2]" 2
24 1 8 ARG H 1 8 ARG HG2 3.800 . 5.600 4.388 3.939 4.584 . 0 0 "[ . 1 . 2]" 2
25 1 7 VAL HA 1 8 ARG H 6.000 . 6.000 3.485 3.461 3.523 . 0 0 "[ . 1 . 2]" 2
26 1 8 ARG H 1 8 ARG HA 2.600 . 3.500 2.770 2.734 2.805 . 0 0 "[ . 1 . 2]" 2
27 1 5 MET HA 1 8 ARG H 1.900 . 6.000 3.580 3.456 3.730 . 0 0 "[ . 1 . 2]" 2
28 1 8 ARG H 1 11 LEU QD 6.000 . 6.000 4.546 4.020 4.972 . 0 0 "[ . 1 . 2]" 2
29 1 8 ARG H 1 9 ASP H 3.300 . 4.600 2.922 2.749 3.064 . 0 0 "[ . 1 . 2]" 2
30 1 9 ASP H 1 12 ALA MB 3.100 . 6.000 4.283 3.892 5.127 . 0 0 "[ . 1 . 2]" 2
31 1 9 ASP H 1 9 ASP HB2 3.700 . 5.400 2.638 2.448 3.598 . 0 0 "[ . 1 . 2]" 2
32 1 8 ARG HA 1 9 ASP H 2.400 . 6.000 3.568 3.545 3.575 . 0 0 "[ . 1 . 2]" 2
33 1 9 ASP H 1 10 MET H 3.300 . 4.700 2.697 2.550 2.886 . 0 0 "[ . 1 . 2]" 2
34 1 10 MET H 1 10 MET HB2 2.800 . 3.800 2.553 2.444 2.645 . 0 0 "[ . 1 . 2]" 2
35 1 10 MET H 1 11 LEU H 3.100 . 4.300 2.934 2.647 3.039 . 0 0 "[ . 1 . 2]" 2
36 1 20 LYS H 1 22 LEU H 2.500 . 6.000 4.554 4.280 4.770 . 0 0 "[ . 1 . 2]" 2
37 1 7 VAL QG 1 11 LEU H 4.200 . 6.000 3.779 3.249 4.603 . 0 0 "[ . 1 . 2]" 2
38 1 11 LEU H 1 13 LEU QD 3.800 . 5.600 5.094 4.421 5.580 . 0 0 "[ . 1 . 2]" 2
39 1 11 LEU H 1 11 LEU HB2 3.200 . 4.500 2.335 2.229 2.615 . 0 0 "[ . 1 . 2]" 2
40 1 11 LEU H 1 12 ALA MB 4.800 . 6.000 4.216 4.076 4.386 . 0 0 "[ . 1 . 2]" 2
41 1 11 LEU H 1 17 MET HB2 6.000 . 6.000 5.658 4.215 6.021 0.021 19 0 "[ . 1 . 2]" 2
42 1 11 LEU H 1 11 LEU HG 3.800 . 5.700 3.649 2.031 4.520 . 0 0 "[ . 1 . 2]" 2
43 1 10 MET HB2 1 11 LEU H 3.000 . 4.100 2.397 2.146 2.898 . 0 0 "[ . 1 . 2]" 2
44 1 8 ARG HA 1 11 LEU H 3.400 . 4.900 3.979 3.489 4.318 . 0 0 "[ . 1 . 2]" 2
45 1 10 MET HA 1 11 LEU H 3.100 . 4.300 3.556 3.481 3.572 . 0 0 "[ . 1 . 2]" 2
46 1 12 ALA H 1 78 LEU MD2 3.400 . 6.000 5.116 4.074 6.013 0.013 2 0 "[ . 1 . 2]" 2
47 1 11 LEU HB2 1 12 ALA H 1.800 . 6.000 2.811 2.251 3.538 . 0 0 "[ . 1 . 2]" 2
48 1 10 MET HA 1 12 ALA H 3.800 . 5.600 4.587 4.218 4.966 . 0 0 "[ . 1 . 2]" 2
49 1 12 ALA H 1 13 LEU H 3.100 . 4.300 2.712 2.550 2.828 . 0 0 "[ . 1 . 2]" 2
50 1 11 LEU H 1 12 ALA H 3.100 . 4.300 2.556 2.377 2.792 . 0 0 "[ . 1 . 2]" 2
51 1 12 ALA MB 1 13 LEU H 3.400 . 4.800 2.816 2.561 2.996 . 0 0 "[ . 1 . 2]" 2
52 1 13 LEU H 1 13 LEU HB2 2.500 . 3.300 2.494 2.399 2.575 . 0 0 "[ . 1 . 2]" 2
53 1 10 MET HB2 1 13 LEU H 3.300 . 6.000 5.591 5.358 5.838 . 0 0 "[ . 1 . 2]" 2
54 1 12 ALA HA 1 13 LEU H 3.400 . 4.800 3.468 3.428 3.526 . 0 0 "[ . 1 . 2]" 2
55 1 10 MET HA 1 13 LEU H 3.700 . 5.400 3.924 3.515 4.231 . 0 0 "[ . 1 . 2]" 2
56 1 7 VAL QG 1 10 MET H 5.000 . 6.000 4.406 4.123 4.716 . 0 0 "[ . 1 . 2]" 2
57 1 13 LEU H 1 14 GLN H 3.200 . 4.500 2.438 2.038 3.022 . 0 0 "[ . 1 . 2]" 2
58 1 13 LEU HB2 1 14 GLN H 2.000 . 6.000 3.222 2.205 4.063 . 0 0 "[ . 1 . 2]" 2
59 1 13 LEU MD1 1 14 GLN H 4.000 . 6.000 4.580 3.920 5.431 . 0 0 "[ . 1 . 2]" 2
60 1 13 LEU HA 1 14 GLN H 1.800 . 6.000 3.322 2.955 3.575 . 0 0 "[ . 1 . 2]" 2
61 1 14 GLN HB2 1 15 GLY H 3.200 . 4.500 2.264 1.940 4.428 . 0 0 "[ . 1 . 2]" 2
62 1 13 LEU H 1 15 GLY H 4.500 . 6.000 4.589 3.989 6.020 0.020 18 0 "[ . 1 . 2]" 2
63 1 14 GLN H 1 15 GLY H 3.200 . 4.500 2.682 2.032 4.216 . 0 0 "[ . 1 . 2]" 2
64 1 16 ARG H 1 77 ALA MB 4.500 . 6.000 4.415 3.195 5.254 . 0 0 "[ . 1 . 2]" 2
65 1 16 ARG H 1 78 LEU MD1 5.300 . 6.000 3.924 2.175 4.955 . 0 0 "[ . 1 . 2]" 2
66 1 16 ARG H 1 16 ARG HD2 3.600 . 5.200 2.775 1.946 3.853 0.054 14 0 "[ . 1 . 2]" 2
67 1 15 GLY HA2 1 16 ARG H 3.800 . 5.600 3.067 2.167 3.534 . 0 0 "[ . 1 . 2]" 2
68 1 15 GLY HA3 1 16 ARG H 3.000 . 4.200 2.405 2.142 3.086 . 0 0 "[ . 1 . 2]" 2
69 1 15 GLY H 1 16 ARG H 4.000 . 6.000 3.975 2.284 4.400 . 0 0 "[ . 1 . 2]" 2
70 1 16 ARG H 1 17 MET H 3.800 . 5.600 4.088 3.067 4.568 . 0 0 "[ . 1 . 2]" 2
71 1 16 ARG HB2 1 17 MET H 3.200 . 4.500 4.426 4.142 4.538 0.038 6 0 "[ . 1 . 2]" 2
72 1 17 MET H 1 77 ALA MB 3.500 . 5.000 3.476 3.132 3.847 . 0 0 "[ . 1 . 2]" 2
73 1 11 LEU QD 1 17 MET H 4.200 . 6.000 2.773 1.826 3.612 0.174 13 0 "[ . 1 . 2]" 2
74 1 4 LEU H 1 4 LEU HB2 3.800 . 5.600 3.600 3.587 3.621 . 0 0 "[ . 1 . 2]" 2
75 1 18 GLU H 1 21 GLN H 3.800 . 5.600 4.737 4.438 5.041 . 0 0 "[ . 1 . 2]" 2
76 1 19 ALA H 1 19 ALA MB 2.700 . 3.600 2.251 2.200 2.272 . 0 0 "[ . 1 . 2]" 2
77 1 19 ALA H 1 33 ILE MG 5.400 . 6.000 3.635 3.239 4.053 . 0 0 "[ . 1 . 2]" 2
78 1 19 ALA H 1 74 GLU HG2 4.300 . 6.000 6.030 6.006 6.085 0.085 8 0 "[ . 1 . 2]" 2
79 1 18 GLU HA 1 19 ALA H 2.300 . 3.000 2.298 2.169 2.406 . 0 0 "[ . 1 . 2]" 2
80 1 19 ALA H 1 21 GLN H 3.500 . 5.100 4.586 4.143 5.089 . 0 0 "[ . 1 . 2]" 2
81 1 19 ALA H 1 76 TRP H 6.000 . 6.000 3.911 3.187 4.578 . 0 0 "[ . 1 . 2]" 2
82 1 4 LEU H 1 4 LEU HG 2.700 . 3.600 2.026 1.947 2.150 . 0 0 "[ . 1 . 2]" 2
83 1 19 ALA MB 1 20 LYS H 3.200 . 4.500 2.984 2.785 3.113 . 0 0 "[ . 1 . 2]" 2
84 1 20 LYS H 1 20 LYS HB2 3.200 . 4.500 3.172 2.472 3.597 . 0 0 "[ . 1 . 2]" 2
85 1 19 ALA HA 1 20 LYS H 2.000 . 6.000 3.435 3.391 3.493 . 0 0 "[ . 1 . 2]" 2
86 1 19 ALA H 1 20 LYS H 3.500 . 5.000 2.435 2.373 2.627 . 0 0 "[ . 1 . 2]" 2
87 1 7 VAL QG 1 20 LYS H 3.300 . 6.000 5.408 4.810 5.751 . 0 0 "[ . 1 . 2]" 2
88 1 18 GLU HA 1 20 LYS H 3.600 . 5.200 3.947 3.719 4.120 . 0 0 "[ . 1 . 2]" 2
89 1 18 GLU HB2 1 21 GLN H 2.900 . 6.000 3.777 2.997 4.701 . 0 0 "[ . 1 . 2]" 2
90 1 36 MET H 1 74 GLU HG2 3.900 . 5.800 5.166 4.878 5.441 . 0 0 "[ . 1 . 2]" 2
91 1 21 GLN H 1 22 LEU H 3.100 . 4.300 2.846 2.700 2.977 . 0 0 "[ . 1 . 2]" 2
92 1 20 LYS H 1 21 GLN H 2.900 . 4.000 2.849 2.607 3.099 . 0 0 "[ . 1 . 2]" 2
93 1 22 LEU H 1 22 LEU HG 2.900 . 4.000 2.192 1.946 3.636 . 0 0 "[ . 1 . 2]" 2
94 1 22 LEU H 1 22 LEU HB2 3.300 . 4.700 2.863 2.378 3.604 . 0 0 "[ . 1 . 2]" 2
95 1 22 LEU H 1 22 LEU QD 2.500 . 3.300 2.803 1.846 2.994 0.054 10 0 "[ . 1 . 2]" 2
96 1 22 LEU H 1 23 SER H 3.200 . 4.400 2.664 2.517 2.826 . 0 0 "[ . 1 . 2]" 2
97 1 19 ALA HA 1 23 SER H 4.100 . 6.000 4.021 3.594 4.444 . 0 0 "[ . 1 . 2]" 2
98 1 20 LYS HA 1 23 SER H 3.600 . 5.200 3.584 3.284 3.867 . 0 0 "[ . 1 . 2]" 2
99 1 21 GLN H 1 23 SER H 3.900 . 5.900 3.949 3.695 4.318 . 0 0 "[ . 1 . 2]" 2
100 1 32 LEU MD1 1 36 MET H 3.200 . 4.500 3.069 2.814 3.251 . 0 0 "[ . 1 . 2]" 2
101 1 22 LEU HB2 1 23 SER H 3.600 . 5.200 3.079 2.296 4.058 . 0 0 "[ . 1 . 2]" 2
102 1 23 SER H 1 33 ILE MD 5.600 . 6.000 4.201 3.700 4.782 . 0 0 "[ . 1 . 2]" 2
103 1 23 SER HB2 1 24 ALA H 3.900 . 5.800 3.738 2.565 4.088 . 0 0 "[ . 1 . 2]" 2
104 1 21 GLN HA 1 24 ALA H 3.600 . 5.200 3.632 3.339 4.082 . 0 0 "[ . 1 . 2]" 2
105 1 23 SER H 1 24 ALA H 3.100 . 4.300 2.610 2.408 2.802 . 0 0 "[ . 1 . 2]" 2
106 1 24 ALA H 1 25 ARG H 3.200 . 4.500 2.505 2.346 2.734 . 0 0 "[ . 1 . 2]" 2
107 1 24 ALA MB 1 25 ARG H 3.300 . 4.600 2.647 2.367 2.946 . 0 0 "[ . 1 . 2]" 2
108 1 22 LEU HA 1 25 ARG H 3.500 . 5.100 3.415 3.189 3.651 . 0 0 "[ . 1 . 2]" 2
109 1 24 ALA HA 1 25 ARG H 3.500 . 5.000 3.513 3.446 3.558 . 0 0 "[ . 1 . 2]" 2
110 1 25 ARG H 1 26 LEU H 3.200 . 4.500 2.580 2.238 2.770 . 0 0 "[ . 1 . 2]" 2
111 1 26 LEU H 1 26 LEU MD1 4.400 . 6.000 3.935 3.553 4.130 . 0 0 "[ . 1 . 2]" 2
112 1 26 LEU H 1 26 LEU MD2 3.800 . 5.600 3.145 2.266 3.622 . 0 0 "[ . 1 . 2]" 2
113 1 26 LEU H 1 27 GLN H 1.800 . 2.200 2.191 2.068 2.232 0.032 4 0 "[ . 1 . 2]" 2
114 1 24 ALA H 1 26 LEU H 3.900 . 5.800 3.951 3.720 4.338 . 0 0 "[ . 1 . 2]" 2
115 1 26 LEU H 1 28 THR HB 2.200 . 6.000 5.291 4.520 5.888 . 0 0 "[ . 1 . 2]" 2
116 1 26 LEU H 1 26 LEU HG 3.600 . 5.200 3.329 2.661 4.422 . 0 0 "[ . 1 . 2]" 2
117 1 17 MET HA 1 18 GLU H 2.200 . 2.800 2.497 2.327 2.541 . 0 0 "[ . 1 . 2]" 2
118 1 26 LEU HA 1 27 GLN H 3.900 . 5.800 3.270 3.132 3.420 . 0 0 "[ . 1 . 2]" 2
119 1 24 ALA HA 1 27 GLN H 1.700 . 6.000 3.155 2.904 3.568 . 0 0 "[ . 1 . 2]" 2
120 1 27 GLN H 1 27 GLN HA 2.800 . 3.700 2.271 2.267 2.277 . 0 0 "[ . 1 . 2]" 2
121 1 27 GLN H 1 27 GLN HB2 4.200 . 6.000 3.571 3.514 3.639 . 0 0 "[ . 1 . 2]" 2
122 1 24 ALA MB 1 27 GLN H 2.900 . 6.000 4.310 4.044 4.680 . 0 0 "[ . 1 . 2]" 2
123 1 27 GLN H 1 28 THR H 1.800 . 6.000 3.287 2.553 3.740 . 0 0 "[ . 1 . 2]" 2
124 1 28 THR H 1 28 THR MG 4.300 . 6.000 3.666 2.205 4.001 . 0 0 "[ . 1 . 2]" 2
125 1 30 GLN H 1 30 GLN HB2 2.700 . 3.600 2.475 2.330 2.617 . 0 0 "[ . 1 . 2]" 2
126 1 29 PRO HA 1 30 GLN H 2.900 . 3.900 2.164 2.144 2.190 . 0 0 "[ . 1 . 2]" 2
127 1 78 LEU H 1 78 LEU MD1 3.100 . 4.300 2.095 1.877 2.262 0.023 16 0 "[ . 1 . 2]" 2
128 1 32 LEU H 1 32 LEU HB2 3.100 . 4.300 2.466 2.296 2.607 . 0 0 "[ . 1 . 2]" 2
129 1 31 PRO HB2 1 32 LEU H 2.500 . 3.300 2.653 2.128 3.179 . 0 0 "[ . 1 . 2]" 2
130 1 29 PRO HG2 1 32 LEU H 5.800 . 6.000 5.137 3.887 5.485 . 0 0 "[ . 1 . 2]" 2
131 1 32 LEU H 1 33 ILE HB 4.000 . 6.000 4.792 4.556 5.202 . 0 0 "[ . 1 . 2]" 2
132 1 31 PRO HD2 1 32 LEU H 2.800 . 3.800 2.940 2.666 3.096 . 0 0 "[ . 1 . 2]" 2
133 1 31 PRO HA 1 32 LEU H 3.000 . 4.100 3.529 3.454 3.577 . 0 0 "[ . 1 . 2]" 2
134 1 32 LEU H 1 33 ILE H 2.800 . 3.800 2.557 2.336 2.834 . 0 0 "[ . 1 . 2]" 2
135 1 32 LEU H 1 34 ASP H 2.700 . 6.000 4.324 4.075 4.603 . 0 0 "[ . 1 . 2]" 2
136 1 30 GLN HA 1 33 ILE H 4.100 . 6.000 3.273 3.035 3.665 . 0 0 "[ . 1 . 2]" 2
137 1 32 LEU HA 1 33 ILE H 3.900 . 5.800 3.534 3.496 3.566 . 0 0 "[ . 1 . 2]" 2
138 1 33 ILE H 1 33 ILE HB 3.200 . 4.500 2.644 2.580 2.710 . 0 0 "[ . 1 . 2]" 2
139 1 28 THR MG 1 33 ILE H 3.700 . 5.400 4.325 3.828 4.731 . 0 0 "[ . 1 . 2]" 2
140 1 33 ILE H 1 33 ILE MD 4.300 . 6.000 2.946 2.711 3.114 . 0 0 "[ . 1 . 2]" 2
141 1 33 ILE HB 1 34 ASP H 3.200 . 4.500 2.482 2.247 2.808 . 0 0 "[ . 1 . 2]" 2
142 1 33 ILE MG 1 34 ASP H 4.100 . 6.000 3.358 3.178 3.679 . 0 0 "[ . 1 . 2]" 2
143 1 30 GLN HA 1 34 ASP H 2.600 . 6.000 4.657 4.213 5.557 . 0 0 "[ . 1 . 2]" 2
144 1 31 PRO HA 1 34 ASP H 2.600 . 6.000 3.981 3.672 4.271 . 0 0 "[ . 1 . 2]" 2
145 1 33 ILE H 1 34 ASP H 3.000 . 4.100 2.924 2.788 3.019 . 0 0 "[ . 1 . 2]" 2
146 1 34 ASP H 1 74 GLU H 5.900 . 6.000 4.245 3.849 4.677 . 0 0 "[ . 1 . 2]" 2
147 1 36 MET H 1 36 MET HG2 4.600 . 6.000 4.425 3.416 4.604 . 0 0 "[ . 1 . 2]" 2
148 1 32 LEU HA 1 36 MET H 4.100 . 6.000 4.503 3.983 5.031 . 0 0 "[ . 1 . 2]" 2
149 1 36 MET H 1 74 GLU H 4.100 . 6.000 6.050 6.012 6.083 0.083 7 0 "[ . 1 . 2]" 2
150 1 34 ASP H 1 36 MET H 4.200 . 6.000 3.960 3.900 4.055 . 0 0 "[ . 1 . 2]" 2
151 1 34 ASP HA 1 35 ALA H 3.700 . 5.400 3.517 3.470 3.547 . 0 0 "[ . 1 . 2]" 2
152 1 31 PRO HA 1 35 ALA H 2.700 . 6.000 5.271 4.659 6.010 0.010 15 0 "[ . 1 . 2]" 2
153 1 35 ALA H 1 35 ALA MB 2.900 . 4.000 2.260 2.248 2.273 . 0 0 "[ . 1 . 2]" 2
154 1 33 ILE HG12 1 35 ALA H 2.300 . 6.000 5.960 5.656 6.029 0.029 1 0 "[ . 1 . 2]" 2
155 1 35 ALA H 1 36 MET H 3.100 . 4.300 2.407 2.336 2.507 . 0 0 "[ . 1 . 2]" 2
156 1 34 ASP H 1 35 ALA H 3.400 . 4.800 2.786 2.690 2.845 . 0 0 "[ . 1 . 2]" 2
157 1 35 ALA H 1 74 GLU H 4.400 . 6.000 5.856 5.556 6.082 0.082 9 0 "[ . 1 . 2]" 2
158 1 37 LEU HB2 1 38 GLU H 2.600 . 3.500 2.481 2.212 2.680 . 0 0 "[ . 1 . 2]" 2
159 1 37 LEU QD 1 38 GLU H 4.000 . 6.000 3.706 3.418 4.007 . 0 0 "[ . 1 . 2]" 2
160 1 38 GLU H 1 38 GLU HG2 4.100 . 6.000 4.350 2.319 4.611 . 0 0 "[ . 1 . 2]" 2
161 1 38 GLU H 1 38 GLU HA 3.000 . 4.100 2.770 2.739 2.803 . 0 0 "[ . 1 . 2]" 2
162 1 35 ALA HA 1 38 GLU H 6.000 . 6.000 3.573 3.402 3.696 . 0 0 "[ . 1 . 2]" 2
163 1 38 GLU H 1 74 GLU H 4.600 . 6.000 5.438 5.210 5.764 . 0 0 "[ . 1 . 2]" 2
164 1 39 ARG H 1 39 ARG HG2 3.500 . 5.100 4.355 2.577 4.609 . 0 0 "[ . 1 . 2]" 2
165 1 39 ARG H 1 41 GLU HB2 6.000 . 6.000 6.065 4.992 6.800 0.800 6 3 "[* .+ 1 .- 2]" 2
166 1 39 ARG H 1 39 ARG HA 2.600 . 3.400 2.823 2.769 2.848 . 0 0 "[ . 1 . 2]" 2
167 1 39 ARG H 1 40 MET H 3.300 . 4.600 2.708 2.575 2.890 . 0 0 "[ . 1 . 2]" 2
168 1 40 MET H 1 40 MET HG2 3.700 . 5.400 4.527 4.425 4.611 . 0 0 "[ . 1 . 2]" 2
169 1 40 MET H 1 41 GLU H 3.100 . 4.300 2.786 2.605 2.948 . 0 0 "[ . 1 . 2]" 2
170 1 41 GLU H 1 41 GLU HB2 3.300 . 4.700 2.552 2.294 2.727 . 0 0 "[ . 1 . 2]" 2
171 1 38 GLU HA 1 41 GLU H 3.400 . 4.900 3.709 3.359 3.980 . 0 0 "[ . 1 . 2]" 2
172 1 39 ARG H 1 41 GLU H 2.600 . 6.000 4.140 3.842 4.709 . 0 0 "[ . 1 . 2]" 2
173 1 41 GLU H 1 42 ALA H 3.300 . 4.700 2.401 2.288 2.628 . 0 0 "[ . 1 . 2]" 2
174 1 38 GLU HA 1 42 ALA H 3.900 . 5.800 4.097 3.939 4.305 . 0 0 "[ . 1 . 2]" 2
175 1 42 ALA H 1 43 MET H 3.300 . 4.700 2.780 2.739 2.841 . 0 0 "[ . 1 . 2]" 2
176 1 39 ARG H 1 42 ALA H 5.200 . 6.000 4.402 4.277 4.568 . 0 0 "[ . 1 . 2]" 2
177 1 40 MET H 1 42 ALA H 3.000 . 4.200 3.833 3.633 3.956 . 0 0 "[ . 1 . 2]" 2
178 1 41 GLU HB2 1 42 ALA H 4.500 . 6.000 3.938 3.078 4.214 . 0 0 "[ . 1 . 2]" 2
179 1 42 ALA H 1 43 MET HB2 3.800 . 5.600 5.528 4.944 6.429 0.829 1 7 "[+ - * * * . * *]" 2
180 1 42 ALA H 1 42 ALA MB 3.000 . 4.100 2.229 2.223 2.242 . 0 0 "[ . 1 . 2]" 2
181 1 42 ALA MB 1 43 MET H 3.500 . 5.100 2.836 2.578 2.878 . 0 0 "[ . 1 . 2]" 2
182 1 43 MET H 1 43 MET HB2 3.200 . 4.500 2.880 2.370 3.653 . 0 0 "[ . 1 . 2]" 2
183 1 41 GLU H 1 43 MET H 3.400 . 4.900 4.308 4.127 4.482 . 0 0 "[ . 1 . 2]" 2
184 1 44 GLY H 1 44 GLY HA3 2.600 . 3.500 2.953 2.942 2.957 . 0 0 "[ . 1 . 2]" 2
185 1 43 MET HA 1 44 GLY H 3.700 . 5.500 3.463 3.451 3.473 . 0 0 "[ . 1 . 2]" 2
186 1 42 ALA MB 1 44 GLY H 2.900 . 6.000 4.488 4.336 4.523 . 0 0 "[ . 1 . 2]" 2
187 1 43 MET H 1 44 GLY H 3.300 . 4.700 2.306 2.135 2.551 . 0 0 "[ . 1 . 2]" 2
188 1 78 LEU HB2 1 79 ARG H 4.600 . 6.000 3.382 3.023 4.427 . 0 0 "[ . 1 . 2]" 2
189 1 44 GLY H 1 45 LYS H 3.300 . 4.600 2.371 2.162 2.821 . 0 0 "[ . 1 . 2]" 2
190 1 46 VAL H 1 46 VAL HB 3.000 . 4.100 3.258 2.860 3.814 . 0 0 "[ . 1 . 2]" 2
191 1 46 VAL H 1 78 LEU HG 2.700 . 6.000 5.562 4.601 6.057 0.057 16 0 "[ . 1 . 2]" 2
192 1 45 LYS HA 1 46 VAL H 4.000 . 6.000 3.553 3.530 3.577 . 0 0 "[ . 1 . 2]" 2
193 1 44 GLY H 1 46 VAL H 2.200 . 6.000 5.303 4.923 5.693 . 0 0 "[ . 1 . 2]" 2
194 1 45 LYS H 1 46 VAL H 3.000 . 4.100 3.009 2.685 3.296 . 0 0 "[ . 1 . 2]" 2
195 1 47 VAL H 1 47 VAL HB 3.100 . 4.300 3.245 2.798 3.981 . 0 0 "[ . 1 . 2]" 2
196 1 46 VAL HB 1 47 VAL H 2.900 . 4.000 1.952 1.888 2.103 . 0 0 "[ . 1 . 2]" 2
197 1 46 VAL HA 1 47 VAL H 3.600 . 5.200 3.519 3.005 3.579 . 0 0 "[ . 1 . 2]" 2
198 1 47 VAL MG2 1 48 ARG H 3.700 . 5.400 3.379 1.947 4.064 0.053 12 0 "[ . 1 . 2]" 2
199 1 47 VAL MG1 1 48 ARG H 5.200 . 6.000 2.962 1.942 3.881 . 0 0 "[ . 1 . 2]" 2
200 1 47 VAL HA 1 48 ARG H 2.900 . 3.900 2.257 2.130 2.403 . 0 0 "[ . 1 . 2]" 2
201 1 47 VAL H 1 48 ARG H 2.800 . 6.000 4.350 4.220 4.414 . 0 0 "[ . 1 . 2]" 2
202 1 49 ILE H 1 49 ILE HB 3.400 . 4.900 2.789 2.622 2.926 . 0 0 "[ . 1 . 2]" 2
203 1 49 ILE H 1 76 TRP HA 4.000 . 6.000 4.063 3.757 4.371 . 0 0 "[ . 1 . 2]" 2
204 1 46 VAL HA 1 79 ARG H 4.300 . 6.000 5.009 3.196 5.621 . 0 0 "[ . 1 . 2]" 2
205 1 50 SER H 1 75 TRP H 3.900 . 5.800 4.411 4.260 4.613 . 0 0 "[ . 1 . 2]" 2
206 1 49 ILE HB 1 50 SER H 3.600 . 5.200 4.314 4.129 4.428 . 0 0 "[ . 1 . 2]" 2
207 1 49 ILE MG 1 50 SER H 3.700 . 5.400 3.041 2.648 3.315 . 0 0 "[ . 1 . 2]" 2
208 1 51 GLU H 1 74 GLU HA 3.100 . 4.300 2.320 1.996 2.603 . 0 0 "[ . 1 . 2]" 2
209 1 47 VAL H 1 79 ARG H 2.400 . 6.000 5.262 3.598 5.842 . 0 0 "[ . 1 . 2]" 2
210 1 52 THR H 1 52 THR HB 3.700 . 5.400 3.116 2.717 3.722 . 0 0 "[ . 1 . 2]" 2
211 1 51 GLU H 1 52 THR H 3.500 . 5.100 4.428 4.344 4.497 . 0 0 "[ . 1 . 2]" 2
212 1 52 THR HB 1 53 SER H 4.100 . 6.000 3.783 2.326 4.257 . 0 0 "[ . 1 . 2]" 2
213 1 52 THR HA 1 53 SER H 2.800 . 3.800 2.313 2.139 2.471 . 0 0 "[ . 1 . 2]" 2
214 1 45 LYS H 1 46 VAL QG 4.600 . 6.000 4.585 4.186 4.834 . 0 0 "[ . 1 . 2]" 2
215 1 52 THR MG 1 53 SER H 4.100 . 6.000 3.645 3.282 4.136 . 0 0 "[ . 1 . 2]" 2
216 1 53 SER HA 1 54 GLU H 1.900 . 2.400 2.208 2.131 2.426 0.026 12 0 "[ . 1 . 2]" 2
217 1 54 GLU H 1 54 GLU HB2 4.000 . 6.000 3.165 2.427 3.972 . 0 0 "[ . 1 . 2]" 2
218 1 52 THR MG 1 54 GLU H 2.900 . 6.000 4.942 3.881 6.025 0.025 10 0 "[ . 1 . 2]" 2
219 1 55 GLY H 1 57 LEU QD 4.600 . 6.000 4.975 2.468 5.842 . 0 0 "[ . 1 . 2]" 2
220 1 55 GLY QA 1 56 CYS H 3.200 . 4.500 2.597 2.140 2.839 . 0 0 "[ . 1 . 2]" 2
221 1 55 GLY H 1 56 CYS H 3.400 . 4.900 2.780 1.959 4.441 . 0 0 "[ . 1 . 2]" 2
222 1 57 LEU H 1 57 LEU QD 3.400 . 4.900 2.637 1.873 4.062 0.027 4 0 "[ . 1 . 2]" 2
223 1 57 LEU QD 1 58 SER H 3.000 . 6.000 3.597 2.273 4.344 . 0 0 "[ . 1 . 2]" 2
224 1 43 MET HB2 1 45 LYS H 1.800 . 6.000 4.888 3.979 5.923 . 0 0 "[ . 1 . 2]" 2
225 1 58 SER H 1 59 GLY H 6.000 . 6.000 2.357 1.973 2.737 . 0 0 "[ . 1 . 2]" 2
226 1 59 GLY H 1 60 SER H 2.700 . 3.600 2.895 2.159 3.623 0.023 19 0 "[ . 1 . 2]" 2
227 1 59 GLY QA 1 60 SER H 4.000 . 6.000 2.600 2.124 2.919 . 0 0 "[ . 1 . 2]" 2
228 1 41 GLU HA 1 45 LYS H 1.800 . 2.200 2.193 1.953 2.239 0.039 9 0 "[ . 1 . 2]" 2
229 1 61 CYS HA 1 62 LYS H 1.700 . 6.000 3.155 2.407 3.572 . 0 0 "[ . 1 . 2]" 2
230 1 62 LYS HA 1 63 SER H 3.500 . 5.000 3.099 2.156 3.569 . 0 0 "[ . 1 . 2]" 2
231 1 62 LYS H 1 63 SER H 4.900 . 6.000 3.145 1.973 4.623 . 0 0 "[ . 1 . 2]" 2
232 1 63 SER HA 1 64 CYS H 3.100 . 4.300 2.374 2.142 3.568 . 0 0 "[ . 1 . 2]" 2
233 1 64 CYS HA 1 66 GLU H 2.700 . 6.000 4.231 3.649 4.583 . 0 0 "[ . 1 . 2]" 2
234 1 66 GLU H 1 67 GLY H 3.400 . 4.800 2.864 2.003 4.367 . 0 0 "[ . 1 . 2]" 2
235 1 66 GLU HA 1 67 GLY H 3.400 . 4.800 3.430 2.621 3.578 . 0 0 "[ . 1 . 2]" 2
236 1 65 PRO HG2 1 67 GLY H 3.300 . 6.000 4.799 3.047 6.014 0.014 7 0 "[ . 1 . 2]" 2
237 1 67 GLY H 1 68 LYS H 2.800 . 3.800 2.636 2.012 3.542 . 0 0 "[ . 1 . 2]" 2
238 1 68 LYS H 1 68 LYS HB2 3.500 . 5.000 2.718 2.430 3.632 . 0 0 "[ . 1 . 2]" 2
239 1 67 GLY HA3 1 68 LYS H 3.600 . 5.200 3.282 2.539 3.568 . 0 0 "[ . 1 . 2]" 2
240 1 67 GLY HA2 1 68 LYS H 3.300 . 4.600 2.932 2.163 3.567 . 0 0 "[ . 1 . 2]" 2
241 1 68 LYS HB2 1 69 ALA H 3.900 . 5.800 4.116 2.752 4.529 . 0 0 "[ . 1 . 2]" 2
242 1 70 ALA HA 1 71 CYS H 3.000 . 4.100 2.510 2.136 3.572 . 0 0 "[ . 1 . 2]" 2
243 1 70 ALA MB 1 71 CYS H 3.500 . 5.100 2.792 1.900 3.532 . 0 0 "[ . 1 . 2]" 2
244 1 71 CYS HA 1 72 ARG H 2.300 . 2.900 2.203 2.135 2.827 . 0 0 "[ . 1 . 2]" 2
245 1 72 ARG HA 1 73 GLN H 1.900 . 2.400 2.248 2.141 2.399 . 0 0 "[ . 1 . 2]" 2
246 1 73 GLN HA 1 74 GLU H 1.300 . 2.200 2.194 2.155 2.242 0.042 9 0 "[ . 1 . 2]" 2
247 1 74 GLU H 1 74 GLU HA 3.000 . 4.100 2.938 2.902 2.953 . 0 0 "[ . 1 . 2]" 2
248 1 73 GLN HB2 1 74 GLU H 1.700 . 6.000 3.251 2.878 3.984 . 0 0 "[ . 1 . 2]" 2
249 1 74 GLU H 1 74 GLU HG2 1.400 . 2.200 2.042 1.921 2.186 . 0 0 "[ . 1 . 2]" 2
250 1 74 GLU H 1 75 TRP H 3.500 . 5.100 4.492 4.411 4.548 . 0 0 "[ . 1 . 2]" 2
251 1 74 GLU HA 1 75 TRP H 2.900 . 3.900 2.514 2.285 2.695 . 0 0 "[ . 1 . 2]" 2
252 1 47 VAL H 1 77 ALA H 3.400 . 4.900 3.599 3.241 3.836 . 0 0 "[ . 1 . 2]" 2
253 1 76 TRP H 1 77 ALA H 2.300 . 6.000 4.402 4.190 4.608 . 0 0 "[ . 1 . 2]" 2
254 1 46 VAL H 1 77 ALA H 4.000 . 6.000 5.831 5.541 6.023 0.023 2 0 "[ . 1 . 2]" 2
255 1 48 ARG HA 1 77 ALA H 3.700 . 5.400 3.244 2.820 3.828 . 0 0 "[ . 1 . 2]" 2
256 1 46 VAL HB 1 77 ALA H 4.100 . 6.000 4.636 4.321 4.983 . 0 0 "[ . 1 . 2]" 2
257 1 77 ALA H 1 77 ALA MB 3.600 . 5.200 2.657 2.521 2.834 . 0 0 "[ . 1 . 2]" 2
258 1 46 VAL QG 1 77 ALA H 4.400 . 6.000 4.180 2.542 5.018 . 0 0 "[ . 1 . 2]" 2
259 1 49 ILE MD 1 77 ALA H 3.000 . 6.000 5.761 4.465 6.020 0.020 2 0 "[ . 1 . 2]" 2
260 1 77 ALA MB 1 78 LEU H 3.600 . 5.200 2.725 2.246 3.102 . 0 0 "[ . 1 . 2]" 2
261 1 11 LEU QD 1 78 LEU H 4.400 . 6.000 5.062 3.606 5.873 . 0 0 "[ . 1 . 2]" 2
262 1 77 ALA HA 1 78 LEU H 3.100 . 4.300 2.255 2.144 2.459 . 0 0 "[ . 1 . 2]" 2
263 1 78 LEU H 1 79 ARG H 4.800 . 6.000 4.456 4.067 4.613 . 0 0 "[ . 1 . 2]" 2
264 1 2 ALA HA 1 3 SER H 2.900 . 3.900 2.196 2.142 2.509 . 0 0 "[ . 1 . 2]" 2
265 1 2 ALA HA 1 2 ALA MB 3.300 . 4.600 2.128 2.127 2.130 . 0 0 "[ . 1 . 2]" 2
266 1 2 ALA MB 1 32 LEU MD1 2.200 . 6.000 4.627 3.341 5.821 . 0 0 "[ . 1 . 2]" 2
267 1 2 ALA MB 1 3 SER H 3.800 . 5.600 3.074 2.185 3.471 . 0 0 "[ . 1 . 2]" 2
268 1 3 SER HA 1 3 SER HB2 2.500 . 3.300 2.773 2.444 3.030 . 0 0 "[ . 1 . 2]" 2
269 1 2 ALA MB 1 6 GLU H 4.600 . 6.000 5.356 3.947 6.004 0.004 3 0 "[ . 1 . 2]" 2
270 1 4 LEU MD1 1 5 MET HA 1.900 . 2.400 2.380 2.313 2.422 0.022 11 0 "[ . 1 . 2]" 2
271 1 5 MET H 1 6 GLU HA 6.000 . 6.000 5.352 5.202 5.482 . 0 0 "[ . 1 . 2]" 2
272 1 6 GLU H 1 6 GLU HA 2.300 . 3.000 2.800 2.762 2.814 . 0 0 "[ . 1 . 2]" 2
273 1 6 GLU HA 1 9 ASP HB2 2.300 . 6.000 4.353 3.524 5.500 . 0 0 "[ . 1 . 2]" 2
274 1 7 VAL HA 1 7 VAL QG 3.500 . 4.500 2.217 2.088 2.323 . 0 0 "[ . 1 . 2]" 2
275 1 7 VAL HB 1 7 VAL QG 3.000 . 3.600 1.896 1.892 1.898 0.008 11 0 "[ . 1 . 2]" 2
276 1 7 VAL MG1 1 7 VAL MG2 3.000 . 4.100 2.089 2.065 2.094 . 0 0 "[ . 1 . 2]" 2
277 1 7 VAL QG 1 37 LEU QD 3.600 . 5.300 2.520 2.031 3.280 . 0 0 "[ . 1 . 2]" 2
278 1 7 VAL QG 1 9 ASP H 6.000 . 6.000 4.598 4.217 4.965 . 0 0 "[ . 1 . 2]" 2
279 1 9 ASP HA 1 9 ASP HB2 2.200 . 2.800 2.688 2.445 3.028 0.228 8 0 "[ . 1 . 2]" 2
280 1 8 ARG HD2 1 9 ASP HA 2.300 . 6.000 6.015 3.969 6.803 0.803 19 2 "[ . - . +2]" 2
281 1 9 ASP HA 1 12 ALA MB 3.600 . 5.200 2.215 1.983 3.119 0.017 12 0 "[ . 1 . 2]" 2
282 1 11 LEU HA 1 11 LEU QD 2.100 . 2.600 2.121 1.867 2.585 . 0 0 "[ . 1 . 2]" 2
283 1 11 LEU H 1 11 LEU HA 2.600 . 3.400 2.847 2.787 2.888 . 0 0 "[ . 1 . 2]" 2
284 1 11 LEU HB2 1 11 LEU QD 3.200 . 4.500 2.271 2.107 2.415 . 0 0 "[ . 1 . 2]" 2
285 1 11 LEU MD1 1 11 LEU MD2 3.900 . 5.800 2.084 2.066 2.090 . 0 0 "[ . 1 . 2]" 2
286 1 12 ALA HA 1 78 LEU MD2 3.400 . 4.900 3.254 1.936 4.705 . 0 0 "[ . 1 . 2]" 2
287 1 12 ALA HA 1 12 ALA MB 2.000 . 2.500 2.127 2.125 2.129 . 0 0 "[ . 1 . 2]" 2
288 1 12 ALA MB 1 78 LEU MD2 6.000 . 6.000 4.075 2.685 5.193 . 0 0 "[ . 1 . 2]" 2
289 1 12 ALA H 1 12 ALA MB 2.300 . 3.000 2.233 2.227 2.243 . 0 0 "[ . 1 . 2]" 2
290 1 13 LEU HA 1 13 LEU HG 2.300 . 3.000 2.886 2.682 3.006 0.006 17 0 "[ . 1 . 2]" 2
291 1 13 LEU QD 1 13 LEU HG 2.000 . 2.500 1.894 1.892 1.895 . 0 0 "[ . 1 . 2]" 2
292 1 13 LEU HA 1 13 LEU MD2 2.400 . 3.100 2.471 2.143 3.864 0.764 9 3 "[ . *+1 - . 2]" 2
293 1 12 ALA HA 1 13 LEU MD1 6.000 . 6.000 5.691 3.626 6.074 0.074 3 0 "[ . 1 . 2]" 2
294 1 13 LEU HB2 1 13 LEU QD 2.600 . 3.500 2.170 2.091 2.209 . 0 0 "[ . 1 . 2]" 2
295 1 32 LEU HA 1 32 LEU MD2 2.200 . 2.800 1.935 1.886 1.998 . 0 0 "[ . 1 . 2]" 2
296 1 15 GLY H 1 15 GLY HA2 3.000 . 4.100 2.547 2.377 2.739 . 0 0 "[ . 1 . 2]" 2
297 1 20 LYS HB2 1 74 GLU H 5.600 . 6.000 6.199 4.778 7.254 1.254 3 9 "[ + .** 1* *-. ***]" 2
298 1 16 ARG HA 1 17 MET H 2.900 . 3.900 2.200 2.142 2.445 . 0 0 "[ . 1 . 2]" 2
299 1 17 MET HA 1 17 MET HG2 2.100 . 2.700 2.485 2.266 2.741 0.041 17 0 "[ . 1 . 2]" 2
300 1 11 LEU QD 1 17 MET HB2 4.000 . 6.000 2.093 1.720 3.258 0.280 10 0 "[ . 1 . 2]" 2
301 1 17 MET HB2 1 17 MET HG2 3.000 . 4.100 2.954 2.462 3.012 . 0 0 "[ . 1 . 2]" 2
302 1 18 GLU HA 1 19 ALA MB 6.000 . 6.000 4.022 3.988 4.072 . 0 0 "[ . 1 . 2]" 2
303 1 18 GLU HA 1 37 LEU QD 2.700 . 3.600 3.177 2.268 3.584 . 0 0 "[ . 1 . 2]" 2
304 1 19 ALA MB 1 33 ILE MG 1.700 . 2.200 1.794 1.679 1.927 . 0 0 "[ . 1 . 2]" 2
305 1 19 ALA HA 1 19 ALA MB 3.100 . 4.300 2.125 2.115 2.128 . 0 0 "[ . 1 . 2]" 2
306 1 19 ALA HA 1 37 LEU QD 5.400 . 6.000 3.676 3.304 4.074 . 0 0 "[ . 1 . 2]" 2
307 1 20 LYS HA 1 22 LEU H 2.200 . 6.000 4.833 4.531 5.047 . 0 0 "[ . 1 . 2]" 2
308 1 22 LEU HA 1 22 LEU QD 4.000 . 6.000 2.459 1.978 3.440 0.022 3 0 "[ . 1 . 2]" 2
309 1 22 LEU QD 1 37 LEU QD 3.300 . 6.000 4.383 3.626 4.918 . 0 0 "[ . 1 . 2]" 2
310 1 22 LEU QD 1 22 LEU HG . . 2.200 1.894 1.883 1.896 0.017 19 0 "[ . 1 . 2]" 2
311 1 7 VAL HA 1 22 LEU QD 2.400 . 3.100 2.887 2.536 3.093 . 0 0 "[ . 1 . 2]" 2
312 1 23 SER H 1 23 SER HB2 2.200 . 2.800 2.994 2.439 3.610 0.810 4 8 "[***+.*- 1 * * 2]" 2
313 1 23 SER H 1 23 SER HA 2.600 . 3.500 2.831 2.764 2.872 . 0 0 "[ . 1 . 2]" 2
314 1 23 SER HA 1 33 ILE MD 4.500 . 6.000 3.483 2.964 3.839 . 0 0 "[ . 1 . 2]" 2
315 1 21 GLN HA 1 24 ALA MB 3.700 . 5.400 3.071 2.664 3.816 . 0 0 "[ . 1 . 2]" 2
316 1 24 ALA HA 1 24 ALA MB 1.900 . 2.400 2.128 2.126 2.130 . 0 0 "[ . 1 . 2]" 2
317 1 24 ALA H 1 24 ALA MB 2.100 . 2.700 2.256 2.234 2.276 . 0 0 "[ . 1 . 2]" 2
318 1 25 ARG H 1 25 ARG HA 2.600 . 3.400 2.826 2.773 2.915 . 0 0 "[ . 1 . 2]" 2
319 1 22 LEU QD 1 26 LEU HG 1.800 . 6.000 4.599 3.641 5.609 . 0 0 "[ . 1 . 2]" 2
320 1 26 LEU MD1 1 26 LEU MD2 2.600 . 3.400 2.088 2.082 2.092 . 0 0 "[ . 1 . 2]" 2
321 1 26 LEU HA 1 26 LEU MD2 1.900 . 2.400 2.276 1.938 3.089 0.689 19 2 "[ -. 1 . +2]" 2
322 1 28 THR H 1 28 THR HB 2.400 . 3.100 2.908 2.514 3.177 0.077 7 0 "[ . 1 . 2]" 2
323 1 31 PRO HB2 1 32 LEU MD2 6.000 . 6.000 4.815 4.490 5.034 . 0 0 "[ . 1 . 2]" 2
324 1 32 LEU MD2 1 32 LEU HG 2.000 . 2.500 2.127 2.126 2.128 . 0 0 "[ . 1 . 2]" 2
325 1 32 LEU H 1 32 LEU MD1 4.700 . 6.000 4.147 4.058 4.230 . 0 0 "[ . 1 . 2]" 2
326 1 32 LEU HB2 1 33 ILE HG12 3.000 . 4.100 5.095 4.924 5.279 1.179 12 20 [***********+*******-] 2
327 1 32 LEU H 1 32 LEU HA 2.400 . 3.100 2.845 2.735 2.902 . 0 0 "[ . 1 . 2]" 2
328 1 32 LEU HA 1 35 ALA H 3.900 . 5.800 3.454 3.328 3.674 . 0 0 "[ . 1 . 2]" 2
329 1 32 LEU MD1 1 33 ILE HA 6.000 . 6.000 2.901 2.721 3.184 . 0 0 "[ . 1 . 2]" 2
330 1 33 ILE HA 1 33 ILE MD 2.100 . 2.600 1.990 1.929 2.034 . 0 0 "[ . 1 . 2]" 2
331 1 32 LEU MD1 1 33 ILE HB 4.900 . 6.000 4.955 4.728 5.265 . 0 0 "[ . 1 . 2]" 2
332 1 33 ILE MG 1 34 ASP HA 3.100 . 4.300 3.422 3.311 3.681 . 0 0 "[ . 1 . 2]" 2
333 1 19 ALA HA 1 33 ILE MG 5.600 . 6.000 4.026 3.701 4.403 . 0 0 "[ . 1 . 2]" 2
334 1 33 ILE HA 1 33 ILE MG 4.400 . 6.000 2.378 2.339 2.415 . 0 0 "[ . 1 . 2]" 2
335 1 33 ILE HB 1 33 ILE MG 3.100 . 4.300 2.127 2.123 2.129 . 0 0 "[ . 1 . 2]" 2
336 1 33 ILE MD 1 33 ILE MG 2.400 . 3.100 1.992 1.912 2.082 . 0 0 "[ . 1 . 2]" 2
337 1 28 THR MG 1 33 ILE MD 3.200 . 4.500 2.421 1.889 3.425 0.011 20 0 "[ . 1 . 2]" 2
338 1 28 THR HB 1 33 ILE MD 3.100 . 4.300 3.075 2.279 4.308 0.008 20 0 "[ . 1 . 2]" 2
339 1 4 LEU HA 1 33 ILE MD 5.000 . 6.000 5.943 5.686 6.047 0.047 9 0 "[ . 1 . 2]" 2
340 1 32 LEU MD1 1 35 ALA HA 3.800 . 5.600 5.361 4.849 5.556 . 0 0 "[ . 1 . 2]" 2
341 1 34 ASP H 1 35 ALA HA 3.600 . 6.000 5.386 5.307 5.424 . 0 0 "[ . 1 . 2]" 2
342 1 32 LEU MD2 1 35 ALA MB 2.100 . 2.600 2.445 2.138 2.616 0.016 8 0 "[ . 1 . 2]" 2
343 1 35 ALA HA 1 35 ALA MB 1.900 . 2.300 2.129 2.127 2.130 . 0 0 "[ . 1 . 2]" 2
344 1 35 ALA MB 1 36 MET H 2.200 . 2.800 2.826 2.771 2.854 0.054 20 0 "[ . 1 . 2]" 2
345 1 36 MET HA 1 36 MET HG2 4.400 . 6.000 3.158 2.485 3.738 . 0 0 "[ . 1 . 2]" 2
346 1 4 LEU MD1 1 36 MET HA 3.300 . 6.000 5.710 4.505 6.030 0.030 11 0 "[ . 1 . 2]" 2
347 1 4 LEU HG 1 36 MET HG2 6.000 . 6.000 5.473 4.621 6.426 0.426 9 0 "[ . 1 . 2]" 2
348 1 4 LEU MD1 1 36 MET HG2 4.300 . 6.000 5.046 4.549 6.181 0.181 9 0 "[ . 1 . 2]" 2
349 1 37 LEU HB2 1 37 LEU QD 2.400 . 3.100 2.194 2.093 2.367 . 0 0 "[ . 1 . 2]" 2
350 1 37 LEU QD 1 74 GLU HG2 4.900 . 6.000 2.674 2.084 3.286 . 0 0 "[ . 1 . 2]" 2
351 1 37 LEU HA 1 37 LEU QD 4.700 . 6.000 2.243 1.883 3.032 0.017 17 0 "[ . 1 . 2]" 2
352 1 37 LEU QD 1 74 GLU H 3.500 . 5.000 2.797 2.239 3.413 . 0 0 "[ . 1 . 2]" 2
353 1 37 LEU QD 1 37 LEU HG . . 2.500 1.892 1.889 1.894 0.011 4 0 "[ . 1 . 2]" 2
354 1 37 LEU MD1 1 37 LEU MD2 3.200 . 4.500 2.081 2.058 2.095 . 0 0 "[ . 1 . 2]" 2
355 1 33 ILE MG 1 37 LEU QD 2.900 . 3.900 2.320 1.789 3.031 0.111 9 0 "[ . 1 . 2]" 2
356 1 19 ALA MB 1 37 LEU QD 2.400 . 3.100 1.793 1.636 2.370 0.064 13 0 "[ . 1 . 2]" 2
357 1 34 ASP HA 1 37 LEU QD 4.000 . 6.000 3.601 2.886 3.993 . 0 0 "[ . 1 . 2]" 2
358 1 19 ALA H 1 37 LEU QD 2.600 . 3.400 2.349 1.897 2.663 . 0 0 "[ . 1 . 2]" 2
359 1 38 GLU HA 1 38 GLU HG2 3.000 . 4.100 3.326 2.429 3.787 . 0 0 "[ . 1 . 2]" 2
360 1 39 ARG HA 1 42 ALA H 3.700 . 5.400 3.216 3.081 3.560 . 0 0 "[ . 1 . 2]" 2
361 1 39 ARG HA 1 42 ALA MB 3.500 . 5.000 2.152 2.006 2.335 . 0 0 "[ . 1 . 2]" 2
362 1 40 MET HA 1 40 MET HG2 2.600 . 3.400 3.429 2.968 3.773 0.373 8 0 "[ . 1 . 2]" 2
363 1 4 LEU HB2 1 40 MET HA 4.200 . 6.000 5.045 4.642 5.581 . 0 0 "[ . 1 . 2]" 2
364 1 41 GLU HA 1 46 VAL QG 3.800 . 6.000 5.322 4.434 5.731 . 0 0 "[ . 1 . 2]" 2
365 1 41 GLU HA 1 46 VAL H 3.000 . 4.100 3.835 3.463 4.128 0.028 18 0 "[ . 1 . 2]" 2
366 1 41 GLU HA 1 44 GLY H 5.100 . 6.000 2.898 2.688 3.134 . 0 0 "[ . 1 . 2]" 2
367 1 35 ALA MB 1 42 ALA MB 6.000 . 6.000 6.010 5.855 6.071 0.071 13 0 "[ . 1 . 2]" 2
368 1 42 ALA HA 1 42 ALA MB 2.900 . 3.900 2.129 2.127 2.131 . 0 0 "[ . 1 . 2]" 2
369 1 42 ALA MB 1 43 MET HB2 2.800 . 6.000 4.887 4.550 5.288 . 0 0 "[ . 1 . 2]" 2
370 1 43 MET HA 1 43 MET HG2 3.600 . 5.200 3.165 2.478 4.237 . 0 0 "[ . 1 . 2]" 2
371 1 43 MET H 1 43 MET HG2 2.900 . 3.900 2.794 1.977 3.734 . 0 0 "[ . 1 . 2]" 2
372 1 46 VAL HA 1 46 VAL QG 3.200 . 4.500 2.123 2.084 2.372 . 0 0 "[ . 1 . 2]" 2
373 1 46 VAL HB 1 79 ARG HA 3.600 . 6.000 5.466 4.258 6.020 0.020 18 0 "[ . 1 . 2]" 2
374 1 46 VAL HA 1 46 VAL HB 2.900 . 3.900 2.889 2.398 3.025 . 0 0 "[ . 1 . 2]" 2
375 1 46 VAL HA 1 78 LEU HA 3.600 . 5.200 4.591 4.051 4.892 . 0 0 "[ . 1 . 2]" 2
376 1 45 LYS H 1 46 VAL HA 6.000 . 6.000 4.993 4.650 5.230 . 0 0 "[ . 1 . 2]" 2
377 1 46 VAL H 1 46 VAL QG 2.500 . 3.300 2.736 2.036 3.051 . 0 0 "[ . 1 . 2]" 2
378 1 47 VAL HB 1 47 VAL MG2 3.000 . 4.100 2.129 2.127 2.131 . 0 0 "[ . 1 . 2]" 2
379 1 47 VAL HA 1 47 VAL HB 2.300 . 6.000 2.739 2.419 3.026 . 0 0 "[ . 1 . 2]" 2
380 1 47 VAL HB 1 48 ARG H 4.300 . 6.000 3.630 2.372 4.146 . 0 0 "[ . 1 . 2]" 2
381 1 47 VAL HA 1 47 VAL MG1 2.300 . 3.000 2.584 2.320 3.205 0.205 20 0 "[ . 1 . 2]" 2
382 1 48 ARG HA 1 76 TRP HA 2.300 . 3.000 2.803 2.485 3.063 0.063 6 0 "[ . 1 . 2]" 2
383 1 48 ARG HA 1 49 ILE H 2.600 . 3.500 2.321 2.146 2.414 . 0 0 "[ . 1 . 2]" 2
384 1 49 ILE HB 1 75 TRP H 2.800 . 3.800 3.177 2.774 3.805 0.005 9 0 "[ . 1 . 2]" 2
385 1 49 ILE MD 1 49 ILE MG 3.400 . 4.900 2.077 1.904 3.189 . 0 0 "[ . 1 . 2]" 2
386 1 49 ILE HB 1 49 ILE MD 3.200 . 4.500 2.688 2.254 3.232 . 0 0 "[ . 1 . 2]" 2
387 1 49 ILE HA 1 49 ILE MG 3.000 . 4.200 2.351 2.261 2.388 . 0 0 "[ . 1 . 2]" 2
388 1 49 ILE HA 1 49 ILE MD 3.200 . 4.500 3.157 1.996 3.926 . 0 0 "[ . 1 . 2]" 2
389 1 49 ILE MD 1 75 TRP H 3.900 . 5.800 4.899 4.061 5.373 . 0 0 "[ . 1 . 2]" 2
390 1 49 ILE MG 1 75 TRP H 2.600 . 6.000 4.071 3.777 4.524 . 0 0 "[ . 1 . 2]" 2
391 1 49 ILE HB 1 49 ILE MG 3.100 . 4.300 2.127 2.126 2.128 . 0 0 "[ . 1 . 2]" 2
392 1 50 SER HA 1 51 GLU H 6.000 . 6.000 2.137 2.114 2.165 . 0 0 "[ . 1 . 2]" 2
393 1 49 ILE HB 1 51 GLU HB2 6.000 . 6.000 4.963 4.403 5.433 . 0 0 "[ . 1 . 2]" 2
394 1 51 GLU HA 1 51 GLU HB2 2.900 . 4.000 2.447 2.414 2.484 . 0 0 "[ . 1 . 2]" 2
395 1 51 GLU HA 1 52 THR H 1.900 . 2.400 2.261 2.157 2.363 . 0 0 "[ . 1 . 2]" 2
396 1 52 THR HA 1 52 THR HB 2.700 . 3.600 2.439 2.403 2.474 . 0 0 "[ . 1 . 2]" 2
397 1 52 THR HB 1 52 THR MG 2.300 . 3.000 2.134 2.133 2.135 . 0 0 "[ . 1 . 2]" 2
398 1 52 THR H 1 52 THR MG 2.000 . 2.500 2.083 1.912 2.518 0.018 9 0 "[ . 1 . 2]" 2
399 1 31 PRO HG2 1 71 CYS HA 2.700 . 3.600 3.952 3.383 5.121 1.521 16 6 "[ .* * 1 .+ -**]" 2
400 1 6 GLU HB2 1 7 VAL QG 6.000 . 6.000 3.542 2.905 4.408 . 0 0 "[ . 1 . 2]" 2
401 1 54 GLU HA 1 54 GLU HB2 2.100 . 2.600 2.651 2.414 3.025 0.425 9 0 "[ . 1 . 2]" 2
402 1 56 CYS H 1 56 CYS HA 2.500 . 3.300 2.766 2.273 2.945 . 0 0 "[ . 1 . 2]" 2
403 1 55 GLY QA 1 56 CYS HA 4.900 . 6.000 4.071 3.956 4.514 . 0 0 "[ . 1 . 2]" 2
404 1 57 LEU HA 1 57 LEU QD 3.100 . 4.300 2.388 1.909 3.288 . 0 0 "[ . 1 . 2]" 2
405 1 57 LEU HB2 1 57 LEU QD 2.300 . 6.000 2.159 2.088 2.333 . 0 0 "[ . 1 . 2]" 2
406 1 57 LEU HA 1 57 LEU HB2 2.500 . 3.300 2.824 2.416 3.021 . 0 0 "[ . 1 . 2]" 2
407 1 58 SER HA 1 59 GLY H 3.200 . 4.500 3.336 2.966 3.518 . 0 0 "[ . 1 . 2]" 2
408 1 60 SER HA 1 61 CYS H 6.000 . 6.000 2.651 2.139 3.569 . 0 0 "[ . 1 . 2]" 2
409 1 52 THR MG 1 62 LYS HA 3.100 . 6.000 4.986 2.687 5.997 . 0 0 "[ . 1 . 2]" 2
410 1 68 LYS HA 1 69 ALA H 1.900 . 2.300 2.183 2.134 2.284 . 0 0 "[ . 1 . 2]" 2
411 1 65 PRO HA 1 66 GLU H 3.400 . 4.800 3.545 3.485 3.573 . 0 0 "[ . 1 . 2]" 2
412 1 65 PRO HB2 1 66 GLU H 6.000 . 6.000 2.980 2.114 3.560 . 0 0 "[ . 1 . 2]" 2
413 1 66 GLU HA 1 66 GLU HB2 2.000 . 2.500 2.494 2.375 3.023 0.523 18 2 "[ -. 1 . + 2]" 2
414 1 67 GLY H 1 67 GLY HA3 2.000 . 2.500 2.819 2.362 2.957 0.457 5 0 "[ . 1 . 2]" 2
415 1 72 ARG H 1 72 ARG HG2 2.100 . 2.700 2.763 2.363 3.827 1.127 6 3 "[ .+ 1 . - *]" 2
416 1 72 ARG HA 1 72 ARG HB2 2.400 . 3.100 2.542 2.391 3.018 . 0 0 "[ . 1 . 2]" 2
417 1 72 ARG HB2 1 74 GLU H 3.100 . 6.000 5.663 5.273 5.919 . 0 0 "[ . 1 . 2]" 2
418 1 75 TRP HA 1 76 TRP H 6.000 . 6.000 2.233 2.144 2.342 . 0 0 "[ . 1 . 2]" 2
419 1 19 ALA H 1 75 TRP HA 6.000 . 6.000 3.299 2.358 4.586 . 0 0 "[ . 1 . 2]" 2
420 1 74 GLU HB2 1 75 TRP HA 6.000 . 6.000 4.408 4.162 4.764 . 0 0 "[ . 1 . 2]" 2
421 1 74 GLU HG2 1 75 TRP HA 6.000 . 6.000 5.669 5.103 6.104 0.104 18 0 "[ . 1 . 2]" 2
422 1 76 TRP HA 1 77 ALA H 2.700 . 3.600 2.167 2.131 2.252 . 0 0 "[ . 1 . 2]" 2
423 1 77 ALA HA 1 77 ALA MB 5.000 . 6.000 2.127 2.123 2.129 . 0 0 "[ . 1 . 2]" 2
424 1 16 ARG HA 1 77 ALA MB 6.000 . 6.000 2.649 2.146 3.380 . 0 0 "[ . 1 . 2]" 2
425 1 49 ILE MD 1 77 ALA MB 2.600 . 6.000 4.089 3.080 4.951 . 0 0 "[ . 1 . 2]" 2
426 1 17 MET HB2 1 77 ALA MB 6.000 . 6.000 5.956 5.492 6.047 0.047 19 0 "[ . 1 . 2]" 2
427 1 78 LEU HA 1 79 ARG H 2.100 . 2.700 2.536 2.184 2.704 0.004 9 0 "[ . 1 . 2]" 2
428 1 77 ALA H 1 78 LEU HA 5.100 . 6.000 4.706 4.509 4.821 . 0 0 "[ . 1 . 2]" 2
429 1 7 VAL QG 1 19 ALA MB 6.000 . 6.000 2.323 1.828 2.772 . 0 0 "[ . 1 . 2]" 2
430 1 78 LEU HB2 1 78 LEU MD1 1.600 . 2.200 2.239 2.223 2.263 0.063 8 0 "[ . 1 . 2]" 2
431 1 78 LEU HB2 1 78 LEU MD2 1.900 . 2.400 2.420 2.404 2.438 0.038 16 0 "[ . 1 . 2]" 2
432 1 46 VAL QG 1 78 LEU HB2 6.000 . 6.000 3.594 3.381 3.851 . 0 0 "[ . 1 . 2]" 2
433 1 46 VAL QG 1 78 LEU MD1 6.000 . 6.000 3.249 2.496 3.749 . 0 0 "[ . 1 . 2]" 2
434 1 78 LEU HA 1 78 LEU HG 2.800 . 3.800 2.542 2.423 2.590 . 0 0 "[ . 1 . 2]" 2
435 1 77 ALA HA 1 78 LEU HG 5.700 . 6.000 4.887 4.608 5.229 . 0 0 "[ . 1 . 2]" 2
436 1 11 LEU HB2 1 78 LEU MD2 5.200 . 6.000 5.305 3.635 6.463 0.463 9 0 "[ . 1 . 2]" 2
437 1 78 LEU MD2 1 79 ARG H 6.000 . 6.000 4.081 3.834 5.314 . 0 0 "[ . 1 . 2]" 2
438 1 15 GLY HA2 1 78 LEU MD1 2.500 . 3.300 2.560 1.971 3.323 0.023 13 0 "[ . 1 . 2]" 2
439 1 11 LEU HG 1 78 LEU MD1 6.000 . 6.000 4.634 2.404 5.903 . 0 0 "[ . 1 . 2]" 2
440 1 40 MET HG2 1 45 LYS HA 3.800 . 5.600 6.081 4.967 7.152 1.552 17 9 "[ *. - ** **.*+* 2]" 2
441 1 45 LYS HA 1 46 VAL QG 2.900 . 3.900 3.488 3.324 3.706 . 0 0 "[ . 1 . 2]" 2
442 1 47 VAL MG1 1 77 ALA MB 5.400 . 6.000 3.148 1.892 4.660 . 0 0 "[ . 1 . 2]" 2
443 1 4 LEU HA 1 36 MET HA 6.000 . 6.000 5.058 3.540 5.567 . 0 0 "[ . 1 . 2]" 2
444 1 36 MET H 1 36 MET HA 2.200 . 2.800 2.811 2.786 2.830 0.030 4 0 "[ . 1 . 2]" 2
445 1 4 LEU HG 1 40 MET HA 3.100 . 6.000 5.809 5.426 6.019 0.019 18 0 "[ . 1 . 2]" 2
446 1 4 LEU HB2 1 4 LEU MD1 4.800 . 6.000 2.182 2.155 2.205 . 0 0 "[ . 1 . 2]" 2
447 1 4 LEU HB2 1 4 LEU MD2 2.200 . 2.800 2.542 2.493 2.606 . 0 0 "[ . 1 . 2]" 2
448 1 4 LEU MD2 1 36 MET HA 6.000 . 6.000 3.653 3.004 3.998 . 0 0 "[ . 1 . 2]" 2
449 1 32 LEU MD1 1 33 ILE MD 3.300 . 4.600 2.818 2.445 3.341 . 0 0 "[ . 1 . 2]" 2
450 1 6 GLU HA 1 6 GLU HB2 3.000 . 4.100 2.864 2.442 3.023 . 0 0 "[ . 1 . 2]" 2
451 1 7 VAL QG 1 11 LEU QD 3.900 . 5.800 2.201 1.593 3.357 0.407 4 0 "[ . 1 . 2]" 2
452 1 7 VAL QG 1 22 LEU QD . . 4.700 2.021 1.562 2.881 0.338 19 0 "[ . 1 . 2]" 2
453 1 7 VAL QG 1 22 LEU HB2 3.300 . 6.000 3.767 2.725 4.647 . 0 0 "[ . 1 . 2]" 2
454 1 7 VAL QG 1 22 LEU HG 2.800 . 6.000 3.953 3.366 4.884 . 0 0 "[ . 1 . 2]" 2
455 1 46 VAL QG 1 79 ARG HB2 3.400 . 4.800 3.329 2.341 4.706 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 154
_Distance_constraint_stats_list.Viol_total 62.011
_Distance_constraint_stats_list.Viol_max 0.085
_Distance_constraint_stats_list.Viol_rms 0.0100
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0201
_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 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 0.157 0.035 19 0 "[ . 1 . 2]"
1 6 GLU 0.204 0.043 10 0 "[ . 1 . 2]"
1 7 VAL 0.025 0.017 8 0 "[ . 1 . 2]"
1 8 ARG 0.025 0.015 8 0 "[ . 1 . 2]"
1 9 ASP 0.430 0.038 19 0 "[ . 1 . 2]"
1 10 MET 0.204 0.043 10 0 "[ . 1 . 2]"
1 11 LEU 0.025 0.017 8 0 "[ . 1 . 2]"
1 12 ALA 0.025 0.015 8 0 "[ . 1 . 2]"
1 13 LEU 0.273 0.038 19 0 "[ . 1 . 2]"
1 17 MET 0.269 0.036 15 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.062 0.014 2 0 "[ . 1 . 2]"
1 21 GLN 0.096 0.029 5 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.062 0.014 2 0 "[ . 1 . 2]"
1 25 ARG 0.096 0.029 5 0 "[ . 1 . 2]"
1 33 ILE 0.219 0.066 20 0 "[ . 1 . 2]"
1 34 ASP 0.191 0.041 8 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.251 0.036 11 0 "[ . 1 . 2]"
1 37 LEU 0.219 0.066 20 0 "[ . 1 . 2]"
1 38 GLU 0.199 0.041 8 0 "[ . 1 . 2]"
1 39 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 MET 0.251 0.036 11 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.008 0.008 6 0 "[ . 1 . 2]"
1 47 VAL 0.936 0.085 11 0 "[ . 1 . 2]"
1 49 ILE 0.042 0.024 13 0 "[ . 1 . 2]"
1 51 GLU 0.342 0.053 5 0 "[ . 1 . 2]"
1 73 GLN 0.342 0.053 5 0 "[ . 1 . 2]"
1 75 TRP 0.042 0.024 13 0 "[ . 1 . 2]"
1 76 TRP 0.269 0.036 15 0 "[ . 1 . 2]"
1 77 ALA 0.936 0.085 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU O 1 8 ARG N 3.200 2.200 3.200 2.725 2.526 3.028 . 0 0 "[ . 1 . 2]" 3
2 1 4 LEU O 1 8 ARG H 2.200 . 2.200 1.858 1.695 2.137 . 0 0 "[ . 1 . 2]" 3
3 1 5 MET O 1 9 ASP N 3.200 2.200 3.200 3.122 2.934 3.202 0.002 19 0 "[ . 1 . 2]" 3
4 1 5 MET O 1 9 ASP H 2.200 . 2.200 2.168 1.954 2.235 0.035 19 0 "[ . 1 . 2]" 3
5 1 6 GLU O 1 10 MET N 3.200 2.200 3.200 3.125 2.895 3.204 0.004 10 0 "[ . 1 . 2]" 3
6 1 6 GLU O 1 10 MET H 2.200 . 2.200 2.159 1.969 2.243 0.043 10 0 "[ . 1 . 2]" 3
7 1 7 VAL O 1 11 LEU N 3.200 2.200 3.200 2.938 2.690 3.179 . 0 0 "[ . 1 . 2]" 3
8 1 7 VAL O 1 11 LEU H 2.200 . 2.200 1.998 1.720 2.217 0.017 8 0 "[ . 1 . 2]" 3
9 1 8 ARG O 1 12 ALA N 3.200 2.200 3.200 2.845 2.539 3.163 . 0 0 "[ . 1 . 2]" 3
10 1 8 ARG O 1 12 ALA H 2.200 . 2.200 1.978 1.629 2.215 0.015 8 0 "[ . 1 . 2]" 3
11 1 9 ASP O 1 13 LEU N 3.200 2.200 3.200 2.989 2.887 3.101 . 0 0 "[ . 1 . 2]" 3
12 1 9 ASP O 1 13 LEU H 2.200 . 2.200 2.213 2.192 2.238 0.038 19 0 "[ . 1 . 2]" 3
13 1 19 ALA O 1 23 SER N 3.200 2.200 3.200 2.710 2.526 3.064 . 0 0 "[ . 1 . 2]" 3
14 1 19 ALA O 1 23 SER H 2.200 . 2.200 1.853 1.628 2.177 . 0 0 "[ . 1 . 2]" 3
15 1 20 LYS O 1 24 ALA N 3.200 2.200 3.200 2.927 2.524 3.190 . 0 0 "[ . 1 . 2]" 3
16 1 20 LYS O 1 24 ALA H 2.200 . 2.200 2.068 1.699 2.214 0.014 2 0 "[ . 1 . 2]" 3
17 1 21 GLN O 1 25 ARG N 3.200 2.200 3.200 2.977 2.587 3.191 . 0 0 "[ . 1 . 2]" 3
18 1 21 GLN O 1 25 ARG H 2.200 . 2.200 2.075 1.716 2.229 0.029 5 0 "[ . 1 . 2]" 3
19 1 33 ILE O 1 37 LEU N 3.200 2.200 3.200 3.095 2.909 3.198 . 0 0 "[ . 1 . 2]" 3
20 1 33 ILE O 1 37 LEU H 2.200 . 2.200 2.151 1.936 2.266 0.066 20 0 "[ . 1 . 2]" 3
21 1 34 ASP O 1 38 GLU N 3.200 2.200 3.200 3.048 2.802 3.118 . 0 0 "[ . 1 . 2]" 3
22 1 34 ASP O 1 38 GLU H 2.200 . 2.200 2.165 1.895 2.241 0.041 8 0 "[ . 1 . 2]" 3
23 1 35 ALA O 1 39 ARG N 3.200 2.200 3.200 2.732 2.558 2.862 . 0 0 "[ . 1 . 2]" 3
24 1 35 ALA O 1 39 ARG H 2.200 . 2.200 1.870 1.684 2.024 . 0 0 "[ . 1 . 2]" 3
25 1 36 MET O 1 40 MET N 3.200 2.200 3.200 3.128 3.044 3.198 . 0 0 "[ . 1 . 2]" 3
26 1 36 MET O 1 40 MET H 2.200 . 2.200 2.203 2.111 2.236 0.036 11 0 "[ . 1 . 2]" 3
27 1 37 LEU O 1 41 GLU N 3.200 2.200 3.200 2.879 2.608 3.175 . 0 0 "[ . 1 . 2]" 3
28 1 37 LEU O 1 41 GLU H 2.200 . 2.200 1.940 1.679 2.198 . 0 0 "[ . 1 . 2]" 3
29 1 38 GLU O 1 42 ALA N 3.200 2.200 3.200 2.634 2.506 2.884 . 0 0 "[ . 1 . 2]" 3
30 1 38 GLU O 1 42 ALA H 2.200 . 2.200 1.983 1.800 2.208 0.008 6 0 "[ . 1 . 2]" 3
31 1 51 GLU N 1 73 GLN O 3.200 2.200 3.200 2.979 2.825 3.145 . 0 0 "[ . 1 . 2]" 3
32 1 51 GLU H 1 73 GLN O 2.200 . 2.200 2.081 1.891 2.218 0.018 7 0 "[ . 1 . 2]" 3
33 1 51 GLU O 1 73 GLN N 3.200 2.200 3.200 3.120 2.906 3.202 0.002 5 0 "[ . 1 . 2]" 3
34 1 51 GLU O 1 73 GLN H 2.200 . 2.200 2.204 2.090 2.253 0.053 5 0 "[ . 1 . 2]" 3
35 1 47 VAL O 1 77 ALA N 3.200 2.200 3.200 2.997 2.763 3.173 . 0 0 "[ . 1 . 2]" 3
36 1 47 VAL O 1 77 ALA H 2.200 . 2.200 2.091 1.806 2.235 0.035 16 0 "[ . 1 . 2]" 3
37 1 47 VAL N 1 77 ALA O 3.200 2.200 3.200 3.032 2.815 3.171 . 0 0 "[ . 1 . 2]" 3
38 1 47 VAL H 1 77 ALA O 2.200 . 2.200 2.243 2.204 2.285 0.085 11 0 "[ . 1 . 2]" 3
39 1 49 ILE N 1 75 TRP O 3.200 2.200 3.200 2.885 2.731 3.100 . 0 0 "[ . 1 . 2]" 3
40 1 49 ILE H 1 75 TRP O 2.200 . 2.200 2.005 1.822 2.224 0.024 13 0 "[ . 1 . 2]" 3
41 1 49 ILE O 1 75 TRP N 3.200 2.200 3.200 2.568 2.520 2.766 . 0 0 "[ . 1 . 2]" 3
42 1 49 ILE O 1 75 TRP H 2.200 . 2.200 1.798 1.633 2.136 . 0 0 "[ . 1 . 2]" 3
43 1 17 MET N 1 76 TRP O 3.200 2.200 3.200 3.033 2.750 3.184 . 0 0 "[ . 1 . 2]" 3
44 1 17 MET H 1 76 TRP O 2.200 . 2.200 2.087 1.791 2.229 0.029 5 0 "[ . 1 . 2]" 3
45 1 17 MET O 1 76 TRP N 3.200 2.200 3.200 2.875 2.517 3.046 . 0 0 "[ . 1 . 2]" 3
46 1 17 MET O 1 76 TRP H 2.200 . 2.200 2.125 1.671 2.236 0.036 15 0 "[ . 1 . 2]" 3
stop_
save_
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