NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
593483 |
2my2   |
25442 | cing | 2-parsed | STAR | comment |
data_2my2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2my2
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2my2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2my2
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2my2 "Master copy" parsed_2my2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2my2
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2my2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2my2 1
1 2my2.mr . . "MR format" 2 comment "Not applicable" "Not applicable" 0 parsed_2my2 1
1 2my2.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2my2 1
1 2my2.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2my2 1
1 2my2.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2my2 1
stop_
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2my2
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! 11 A -72.809 142.365 7.335 12.033 0.428 0.773 25 14 Strong
assign (resid 10 and name C ) (resid 11 and name N )
(resid 11 and name CA ) (resid 11 and name C ) 1.0 -72.8 20.0 2
assign (resid 11 and name N ) (resid 11 and name CA )
(resid 11 and name C ) (resid 12 and name N ) 1.0 142.4 24.1 2
! 12 Y -121.546 152.683 18.773 9.171 0.378 0.831 25 14 Strong
assign (resid 11 and name C ) (resid 12 and name N )
(resid 12 and name CA ) (resid 12 and name C ) 1.0 -121.5 37.5 2
assign (resid 12 and name N ) (resid 12 and name CA )
(resid 12 and name C ) (resid 13 and name N ) 1.0 152.7 20.0 2
! 13 I -118.962 134.321 11.126 9.175 0.389 0.883 25 15 Strong
assign (resid 12 and name C ) (resid 13 and name N )
(resid 13 and name CA ) (resid 13 and name C ) 1.0 -119.0 22.3 2
assign (resid 13 and name N ) (resid 13 and name CA )
(resid 13 and name C ) (resid 14 and name N ) 1.0 134.3 20.0 2
! 14 Y -99.388 127.578 14.059 10.729 0.415 0.856 25 15 Strong
assign (resid 13 and name C ) (resid 14 and name N )
(resid 14 and name CA ) (resid 14 and name C ) 1.0 -99.4 28.1 2
assign (resid 14 and name N ) (resid 14 and name CA )
(resid 14 and name C ) (resid 15 and name N ) 1.0 127.6 21.5 2
! 15 I -116.555 119.730 9.002 8.742 0.362 0.823 25 14 Strong
assign (resid 14 and name C ) (resid 15 and name N )
(resid 15 and name CA ) (resid 15 and name C ) 1.0 -116.6 20.0 2
assign (resid 15 and name N ) (resid 15 and name CA )
(resid 15 and name C ) (resid 16 and name N ) 1.0 119.7 20.0 2
! 16 G -108.778 161.215 19.718 18.409 0.601 0.800 10 14 Generous
assign (resid 15 and name C ) (resid 16 and name N )
(resid 16 and name CA ) (resid 16 and name C ) 1.0 -108.8 59.2 2
assign (resid 16 and name N ) (resid 16 and name CA )
(resid 16 and name C ) (resid 17 and name N ) 1.0 161.2 55.2 2
! 17 N 61.100 39.104 6.802 9.677 0.334 0.795 25 14 Strong
assign (resid 16 and name C ) (resid 17 and name N )
(resid 17 and name CA ) (resid 17 and name C ) 1.0 61.1 20.0 2
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name C ) (resid 18 and name N ) 1.0 39.1 20.0 2
! 18 L -81.723 139.637 9.062 7.085 0.281 0.812 25 15 Strong
assign (resid 17 and name C ) (resid 18 and name N )
(resid 18 and name CA ) (resid 18 and name C ) 1.0 -81.7 20.0 2
assign (resid 18 and name N ) (resid 18 and name CA )
(resid 18 and name C ) (resid 19 and name N ) 1.0 139.6 20.0 2
! 19 N -64.585 129.458 12.956 14.921 0.253 0.806 25 15 Strong
assign (resid 18 and name C ) (resid 19 and name N )
(resid 19 and name CA ) (resid 19 and name C ) 1.0 -64.6 25.9 2
assign (resid 19 and name N ) (resid 19 and name CA )
(resid 19 and name C ) (resid 20 and name N ) 1.0 129.5 29.8 2
! 20 R -69.194 -18.928 8.454 10.699 0.292 0.801 25 14 Strong
assign (resid 19 and name C ) (resid 20 and name N )
(resid 20 and name CA ) (resid 20 and name C ) 1.0 -69.2 20.0 2
assign (resid 20 and name N ) (resid 20 and name CA )
(resid 20 and name C ) (resid 21 and name N ) 1.0 -18.9 21.4 2
! 21 E -85.890 -5.261 11.803 11.620 0.217 0.769 25 14 Strong
assign (resid 20 and name C ) (resid 21 and name N )
(resid 21 and name CA ) (resid 21 and name C ) 1.0 -85.9 23.6 2
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name C ) (resid 22 and name N ) 1.0 -5.3 23.2 2
! 22 L -74.991 139.821 9.624 12.586 0.194 0.789 25 14 Strong
assign (resid 21 and name C ) (resid 22 and name N )
(resid 22 and name CA ) (resid 22 and name C ) 1.0 -75.0 20.0 2
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 139.8 25.2 2
! 23 T -86.406 167.709 8.204 3.733 0.186 0.820 25 14 Strong
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 -86.4 20.0 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 167.7 20.0 2
! 24 E -58.821 -41.801 3.824 5.061 0.189 0.881 25 13 Strong
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA ) (resid 24 and name C ) 1.0 -58.8 20.0 2
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C ) (resid 25 and name N ) 1.0 -41.8 20.0 2
! 25 G -63.396 -41.079 6.347 5.027 0.175 0.894 25 13 Strong
assign (resid 24 and name C ) (resid 25 and name N )
(resid 25 and name CA ) (resid 25 and name C ) 1.0 -63.4 20.0 2
assign (resid 25 and name N ) (resid 25 and name CA )
(resid 25 and name C ) (resid 26 and name N ) 1.0 -41.1 20.0 2
! 26 D -66.023 -41.949 3.025 3.649 0.173 0.909 25 14 Strong
assign (resid 25 and name C ) (resid 26 and name N )
(resid 26 and name CA ) (resid 26 and name C ) 1.0 -66.0 20.0 2
assign (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name C ) (resid 27 and name N ) 1.0 -41.9 20.0 2
! 27 I -64.512 -44.917 3.077 3.650 0.154 0.913 25 15 Strong
assign (resid 26 and name C ) (resid 27 and name N )
(resid 27 and name CA ) (resid 27 and name C ) 1.0 -64.5 20.0 2
assign (resid 27 and name N ) (resid 27 and name CA )
(resid 27 and name C ) (resid 28 and name N ) 1.0 -44.9 20.0 2
! 28 L -63.682 -41.002 3.718 4.343 0.160 0.919 25 15 Strong
assign (resid 27 and name C ) (resid 28 and name N )
(resid 28 and name CA ) (resid 28 and name C ) 1.0 -63.7 20.0 2
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 -41.0 20.0 2
! 29 T -63.716 -42.667 3.151 3.555 0.212 0.921 25 15 Strong
assign (resid 28 and name C ) (resid 29 and name N )
(resid 29 and name CA ) (resid 29 and name C ) 1.0 -63.7 20.0 2
assign (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C ) (resid 30 and name N ) 1.0 -42.7 20.0 2
! 30 V -65.148 -44.000 4.174 3.687 0.333 0.920 25 15 Strong
assign (resid 29 and name C ) (resid 30 and name N )
(resid 30 and name CA ) (resid 30 and name C ) 1.0 -65.1 20.0 2
assign (resid 30 and name N ) (resid 30 and name CA )
(resid 30 and name C ) (resid 31 and name N ) 1.0 -44.0 20.0 2
! 32 S -65.458 -35.009 3.937 5.218 0.618 0.921 25 14 Strong
assign (resid 31 and name C ) (resid 32 and name N )
(resid 32 and name CA ) (resid 32 and name C ) 1.0 -65.5 20.0 2
assign (resid 32 and name N ) (resid 32 and name CA )
(resid 32 and name C ) (resid 33 and name N ) 1.0 -35.0 20.0 2
! 33 E -63.945 -32.272 3.269 6.930 0.676 0.912 25 14 Strong
assign (resid 32 and name C ) (resid 33 and name N )
(resid 33 and name CA ) (resid 33 and name C ) 1.0 -63.9 20.0 2
assign (resid 33 and name N ) (resid 33 and name CA )
(resid 33 and name C ) (resid 34 and name N ) 1.0 -32.3 20.0 2
! 37 P -66.563 137.342 5.377 7.702 0.415 0.776 25 13 Strong
assign (resid 36 and name C ) (resid 37 and name N )
(resid 37 and name CA ) (resid 37 and name C ) 1.0 -66.6 20.0 2
assign (resid 37 and name N ) (resid 37 and name CA )
(resid 37 and name C ) (resid 38 and name N ) 1.0 137.3 20.0 2
! 38 V -113.684 -18.931 6.744 6.249 0.284 0.800 25 13 Strong
assign (resid 37 and name C ) (resid 38 and name N )
(resid 38 and name CA ) (resid 38 and name C ) 1.0 -113.7 20.0 2
assign (resid 38 and name N ) (resid 38 and name CA )
(resid 38 and name C ) (resid 39 and name N ) 1.0 -18.9 20.0 2
! 39 D -157.834 150.835 7.961 10.696 0.295 0.836 25 15 Strong
assign (resid 38 and name C ) (resid 39 and name N )
(resid 39 and name CA ) (resid 39 and name C ) 1.0 -157.8 20.0 2
assign (resid 39 and name N ) (resid 39 and name CA )
(resid 39 and name C ) (resid 40 and name N ) 1.0 150.8 21.4 2
! 40 V -122.899 127.930 7.445 6.614 0.296 0.852 25 15 Strong
assign (resid 39 and name C ) (resid 40 and name N )
(resid 40 and name CA ) (resid 40 and name C ) 1.0 -122.9 20.0 2
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name C ) (resid 41 and name N ) 1.0 127.9 20.0 2
! 41 I -113.332 127.236 8.930 8.439 0.346 0.834 25 15 Strong
assign (resid 40 and name C ) (resid 41 and name N )
(resid 41 and name CA ) (resid 41 and name C ) 1.0 -113.3 20.0 2
assign (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name C ) (resid 42 and name N ) 1.0 127.2 20.0 2
! 42 L -104.980 120.445 12.443 10.928 0.329 0.827 25 15 Strong
assign (resid 41 and name C ) (resid 42 and name N )
(resid 42 and name CA ) (resid 42 and name C ) 1.0 -105.0 24.9 2
assign (resid 42 and name N ) (resid 42 and name CA )
(resid 42 and name C ) (resid 43 and name N ) 1.0 120.4 21.9 2
! 43 S -72.195 133.182 9.883 8.258 0.350 0.833 25 15 Strong
assign (resid 42 and name C ) (resid 43 and name N )
(resid 43 and name CA ) (resid 43 and name C ) 1.0 -72.2 20.0 2
assign (resid 43 and name N ) (resid 43 and name CA )
(resid 43 and name C ) (resid 44 and name N ) 1.0 133.2 20.0 2
! 44 R -134.022 150.458 12.589 8.322 0.345 0.861 25 15 Strong
assign (resid 43 and name C ) (resid 44 and name N )
(resid 44 and name CA ) (resid 44 and name C ) 1.0 -134.0 25.2 2
assign (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name C ) (resid 45 and name N ) 1.0 150.5 20.0 2
! 45 D -67.860 131.004 7.193 9.622 0.295 0.873 25 15 Strong
assign (resid 44 and name C ) (resid 45 and name N )
(resid 45 and name CA ) (resid 45 and name C ) 1.0 -67.9 20.0 2
assign (resid 45 and name N ) (resid 45 and name CA )
(resid 45 and name C ) (resid 46 and name N ) 1.0 131.0 20.0 2
! 46 E -68.712 -25.359 9.358 12.192 0.275 0.856 25 15 Strong
assign (resid 45 and name C ) (resid 46 and name N )
(resid 46 and name CA ) (resid 46 and name C ) 1.0 -68.7 20.0 2
assign (resid 46 and name N ) (resid 46 and name CA )
(resid 46 and name C ) (resid 47 and name N ) 1.0 -25.4 24.4 2
! 47 N -83.738 -37.910 9.224 10.128 0.198 0.784 25 15 Strong
assign (resid 46 and name C ) (resid 47 and name N )
(resid 47 and name CA ) (resid 47 and name C ) 1.0 -83.7 20.0 2
assign (resid 47 and name N ) (resid 47 and name CA )
(resid 47 and name C ) (resid 48 and name N ) 1.0 -37.9 20.3 2
! 48 T -107.352 -25.398 12.189 6.429 0.176 0.690 25 14 Strong
assign (resid 47 and name C ) (resid 48 and name N )
(resid 48 and name CA ) (resid 48 and name C ) 1.0 -107.4 24.4 2
assign (resid 48 and name N ) (resid 48 and name CA )
(resid 48 and name C ) (resid 49 and name N ) 1.0 -25.4 20.0 2
! 53 G 83.853 12.705 10.750 13.135 0.462 0.753 25 14 Strong
assign (resid 52 and name C ) (resid 53 and name N )
(resid 53 and name CA ) (resid 53 and name C ) 1.0 83.9 21.5 2
assign (resid 53 and name N ) (resid 53 and name CA )
(resid 53 and name C ) (resid 54 and name N ) 1.0 12.7 26.3 2
! 54 F -125.878 151.134 20.898 13.423 0.367 0.891 25 14 Strong
assign (resid 53 and name C ) (resid 54 and name N )
(resid 54 and name CA ) (resid 54 and name C ) 1.0 -125.9 41.8 2
assign (resid 54 and name N ) (resid 54 and name CA )
(resid 54 and name C ) (resid 55 and name N ) 1.0 151.1 26.8 2
! 55 A -137.240 156.369 10.067 9.236 0.347 0.921 25 15 Strong
assign (resid 54 and name C ) (resid 55 and name N )
(resid 55 and name CA ) (resid 55 and name C ) 1.0 -137.2 20.1 2
assign (resid 55 and name N ) (resid 55 and name CA )
(resid 55 and name C ) (resid 56 and name N ) 1.0 156.4 20.0 2
! 56 Y -121.708 142.637 13.221 8.193 0.354 0.916 25 14 Strong
assign (resid 55 and name C ) (resid 56 and name N )
(resid 56 and name CA ) (resid 56 and name C ) 1.0 -121.7 26.4 2
assign (resid 56 and name N ) (resid 56 and name CA )
(resid 56 and name C ) (resid 57 and name N ) 1.0 142.6 20.0 2
! 57 L -105.436 125.819 12.951 7.685 0.333 0.888 25 14 Strong
assign (resid 56 and name C ) (resid 57 and name N )
(resid 57 and name CA ) (resid 57 and name C ) 1.0 -105.4 25.9 2
assign (resid 57 and name N ) (resid 57 and name CA )
(resid 57 and name C ) (resid 58 and name N ) 1.0 125.8 20.0 2
! 58 K -105.733 124.907 11.234 9.485 0.339 0.867 25 13 Strong
assign (resid 57 and name C ) (resid 58 and name N )
(resid 58 and name CA ) (resid 58 and name C ) 1.0 -105.7 22.5 2
assign (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C ) (resid 59 and name N ) 1.0 124.9 20.0 2
! 59 Y -89.799 155.045 12.157 10.463 0.356 0.850 25 14 Strong
assign (resid 58 and name C ) (resid 59 and name N )
(resid 59 and name CA ) (resid 59 and name C ) 1.0 -89.8 24.3 2
assign (resid 59 and name N ) (resid 59 and name CA )
(resid 59 and name C ) (resid 60 and name N ) 1.0 155.0 20.9 2
! 60 E -69.215 -34.785 8.416 8.073 0.298 0.853 25 14 Strong
assign (resid 59 and name C ) (resid 60 and name N )
(resid 60 and name CA ) (resid 60 and name C ) 1.0 -69.2 20.0 2
assign (resid 60 and name N ) (resid 60 and name CA )
(resid 60 and name C ) (resid 61 and name N ) 1.0 -34.8 20.0 2
! 61 D -120.140 138.656 18.432 16.968 0.278 0.857 25 15 Strong
assign (resid 60 and name C ) (resid 61 and name N )
(resid 61 and name CA ) (resid 61 and name C ) 1.0 -120.1 36.9 2
assign (resid 61 and name N ) (resid 61 and name CA )
(resid 61 and name C ) (resid 62 and name N ) 1.0 138.7 33.9 2
! 62 Q -65.126 -32.593 4.548 5.597 0.255 0.877 25 14 Strong
assign (resid 61 and name C ) (resid 62 and name N )
(resid 62 and name CA ) (resid 62 and name C ) 1.0 -65.1 20.0 2
assign (resid 62 and name N ) (resid 62 and name CA )
(resid 62 and name C ) (resid 63 and name N ) 1.0 -32.6 20.0 2
! 63 R -64.050 -39.474 4.790 5.855 0.227 0.897 25 13 Strong
assign (resid 62 and name C ) (resid 63 and name N )
(resid 63 and name CA ) (resid 63 and name C ) 1.0 -64.0 20.0 2
assign (resid 63 and name N ) (resid 63 and name CA )
(resid 63 and name C ) (resid 64 and name N ) 1.0 -39.5 20.0 2
! 64 S -65.108 -40.454 2.823 3.980 0.225 0.912 25 13 Strong
assign (resid 63 and name C ) (resid 64 and name N )
(resid 64 and name CA ) (resid 64 and name C ) 1.0 -65.1 20.0 2
assign (resid 64 and name N ) (resid 64 and name CA )
(resid 64 and name C ) (resid 65 and name N ) 1.0 -40.5 20.0 2
! 65 T -64.798 -37.327 2.976 5.169 0.223 0.915 25 14 Strong
assign (resid 64 and name C ) (resid 65 and name N )
(resid 65 and name CA ) (resid 65 and name C ) 1.0 -64.8 20.0 2
assign (resid 65 and name N ) (resid 65 and name CA )
(resid 65 and name C ) (resid 66 and name N ) 1.0 -37.3 20.0 2
! 66 I -65.256 -43.225 4.513 3.228 0.206 0.914 25 15 Strong
assign (resid 65 and name C ) (resid 66 and name N )
(resid 66 and name CA ) (resid 66 and name C ) 1.0 -65.3 20.0 2
assign (resid 66 and name N ) (resid 66 and name CA )
(resid 66 and name C ) (resid 67 and name N ) 1.0 -43.2 20.0 2
! 67 L -64.914 -41.905 5.209 5.353 0.219 0.920 25 15 Strong
assign (resid 66 and name C ) (resid 67 and name N )
(resid 67 and name CA ) (resid 67 and name C ) 1.0 -64.9 20.0 2
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C ) (resid 68 and name N ) 1.0 -41.9 20.0 2
! 68 A -64.941 -41.708 3.519 4.519 0.243 0.926 25 15 Strong
assign (resid 67 and name C ) (resid 68 and name N )
(resid 68 and name CA ) (resid 68 and name C ) 1.0 -64.9 20.0 2
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C ) (resid 69 and name N ) 1.0 -41.7 20.0 2
! 69 V -63.638 -45.353 2.915 3.617 0.256 0.929 25 15 Strong
assign (resid 68 and name C ) (resid 69 and name N )
(resid 69 and name CA ) (resid 69 and name C ) 1.0 -63.6 20.0 2
assign (resid 69 and name N ) (resid 69 and name CA )
(resid 69 and name C ) (resid 70 and name N ) 1.0 -45.4 20.0 2
! 70 D -65.511 -36.510 4.484 4.964 0.306 0.925 25 15 Strong
assign (resid 69 and name C ) (resid 70 and name N )
(resid 70 and name CA ) (resid 70 and name C ) 1.0 -65.5 20.0 2
assign (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name C ) (resid 71 and name N ) 1.0 -36.5 20.0 2
! 71 N -85.471 -26.234 14.646 12.219 0.325 0.901 25 15 Strong
assign (resid 70 and name C ) (resid 71 and name N )
(resid 71 and name CA ) (resid 71 and name C ) 1.0 -85.5 29.3 2
assign (resid 71 and name N ) (resid 71 and name CA )
(resid 71 and name C ) (resid 72 and name N ) 1.0 -26.2 24.4 2
! 72 L -101.034 0.683 9.391 13.829 0.294 0.874 25 15 Strong
assign (resid 71 and name C ) (resid 72 and name N )
(resid 72 and name CA ) (resid 72 and name C ) 1.0 -101.0 20.0 2
assign (resid 72 and name N ) (resid 72 and name CA )
(resid 72 and name C ) (resid 73 and name N ) 1.0 0.7 27.7 2
! 73 N -59.393 130.033 5.168 3.514 0.261 0.848 25 14 Strong
assign (resid 72 and name C ) (resid 73 and name N )
(resid 73 and name CA ) (resid 73 and name C ) 1.0 -59.4 20.0 2
assign (resid 73 and name N ) (resid 73 and name CA )
(resid 73 and name C ) (resid 74 and name N ) 1.0 130.0 20.0 2
! 74 G 91.374 -8.496 7.621 10.356 0.264 0.827 25 14 Strong
assign (resid 73 and name C ) (resid 74 and name N )
(resid 74 and name CA ) (resid 74 and name C ) 1.0 91.4 20.0 2
assign (resid 74 and name N ) (resid 74 and name CA )
(resid 74 and name C ) (resid 75 and name N ) 1.0 -8.5 20.7 2
! 75 F -73.640 139.966 18.960 11.176 1.077 0.794 25 14 Strong
assign (resid 74 and name C ) (resid 75 and name N )
(resid 75 and name CA ) (resid 75 and name C ) 1.0 -73.6 37.9 2
assign (resid 75 and name N ) (resid 75 and name CA )
(resid 75 and name C ) (resid 76 and name N ) 1.0 140.0 22.4 2
! 76 K -88.946 126.494 12.579 15.481 0.472 0.738 25 15 Strong
assign (resid 75 and name C ) (resid 76 and name N )
(resid 76 and name CA ) (resid 76 and name C ) 1.0 -88.9 25.2 2
assign (resid 76 and name N ) (resid 76 and name CA )
(resid 76 and name C ) (resid 77 and name N ) 1.0 126.5 31.0 2
! 77 I -112.698 127.810 14.308 13.794 0.596 0.709 25 11 Strong
assign (resid 76 and name C ) (resid 77 and name N )
(resid 77 and name CA ) (resid 77 and name C ) 1.0 -112.7 28.6 2
assign (resid 77 and name N ) (resid 77 and name CA )
(resid 77 and name C ) (resid 78 and name N ) 1.0 127.8 27.6 2
! 80 R -117.408 142.788 11.629 13.790 0.346 0.699 25 12 Strong
assign (resid 79 and name C ) (resid 80 and name N )
(resid 80 and name CA ) (resid 80 and name C ) 1.0 -117.4 23.3 2
assign (resid 80 and name N ) (resid 80 and name CA )
(resid 80 and name C ) (resid 81 and name N ) 1.0 142.8 27.6 2
! 81 A -79.723 129.825 12.313 11.422 0.379 0.727 25 15 Strong
assign (resid 80 and name C ) (resid 81 and name N )
(resid 81 and name CA ) (resid 81 and name C ) 1.0 -79.7 24.6 2
assign (resid 81 and name N ) (resid 81 and name CA )
(resid 81 and name C ) (resid 82 and name N ) 1.0 129.8 22.8 2
! 82 L -72.119 134.523 9.654 9.128 0.325 0.791 25 15 Strong
assign (resid 81 and name C ) (resid 82 and name N )
(resid 82 and name CA ) (resid 82 and name C ) 1.0 -72.1 20.0 2
assign (resid 82 and name N ) (resid 82 and name CA )
(resid 82 and name C ) (resid 83 and name N ) 1.0 134.5 20.0 2
! 83 K -103.276 125.057 16.474 11.453 0.357 0.847 25 15 Strong
assign (resid 82 and name C ) (resid 83 and name N )
(resid 83 and name CA ) (resid 83 and name C ) 1.0 -103.3 32.9 2
assign (resid 83 and name N ) (resid 83 and name CA )
(resid 83 and name C ) (resid 84 and name N ) 1.0 125.1 22.9 2
! 84 I -116.666 131.306 10.079 7.840 0.349 0.882 25 15 Strong
assign (resid 83 and name C ) (resid 84 and name N )
(resid 84 and name CA ) (resid 84 and name C ) 1.0 -116.7 20.2 2
assign (resid 84 and name N ) (resid 84 and name CA )
(resid 84 and name C ) (resid 85 and name N ) 1.0 131.3 20.0 2
! 85 D -136.433 148.703 11.447 12.696 0.411 0.853 25 15 Strong
assign (resid 84 and name C ) (resid 85 and name N )
(resid 85 and name CA ) (resid 85 and name C ) 1.0 -136.4 22.9 2
assign (resid 85 and name N ) (resid 85 and name CA )
(resid 85 and name C ) (resid 86 and name N ) 1.0 148.7 25.4 2
! 86 H -68.591 139.421 8.086 6.913 0.526 0.822 25 15 Strong
assign (resid 85 and name C ) (resid 86 and name N )
(resid 86 and name CA ) (resid 86 and name C ) 1.0 -68.6 20.0 2
assign (resid 86 and name N ) (resid 86 and name CA )
(resid 86 and name C ) (resid 87 and name N ) 1.0 139.4 20.0 2
! 89 Y -75.273 136.535 15.547 9.825 0.962 0.709 25 15 Strong
assign (resid 88 and name C ) (resid 89 and name N )
(resid 89 and name CA ) (resid 89 and name C ) 1.0 -75.3 31.1 2
assign (resid 89 and name N ) (resid 89 and name CA )
(resid 89 and name C ) (resid 90 and name N ) 1.0 136.5 20.0 2
! 90 R -77.625 133.515 14.757 13.372 0.744 0.706 25 13 Strong
assign (resid 89 and name C ) (resid 90 and name N )
(resid 90 and name CA ) (resid 90 and name C ) 1.0 -77.6 29.5 2
assign (resid 90 and name N ) (resid 90 and name CA )
(resid 90 and name C ) (resid 91 and name N ) 1.0 133.5 26.7 2
! 91 P -61.594 147.984 8.159 10.705 0.606 0.698 25 8 Strong
assign (resid 90 and name C ) (resid 91 and name N )
(resid 91 and name CA ) (resid 91 and name C ) 1.0 -61.6 20.0 2
assign (resid 91 and name N ) (resid 91 and name CA )
(resid 91 and name C ) (resid 92 and name N ) 1.0 148.0 21.4 2
! 303 D -69.874 144.062 9.554 10.944 0.475 0.657 25 15 Strong
assign (resid 302 and name C ) (resid 303 and name N )
(resid 303 and name CA ) (resid 303 and name C ) 1.0 -69.9 20.0 2
assign (resid 303 and name N ) (resid 303 and name CA )
(resid 303 and name C ) (resid 304 and name N ) 1.0 144.1 21.9 2
! 304 K -73.918 144.619 13.614 14.752 0.413 0.631 25 15 Strong
assign (resid 303 and name C ) (resid 304 and name N )
(resid 304 and name CA ) (resid 304 and name C ) 1.0 -73.9 27.2 2
assign (resid 304 and name N ) (resid 304 and name CA )
(resid 304 and name C ) (resid 305 and name N ) 1.0 144.6 29.5 2
! 307 P -63.544 144.060 7.961 8.719 0.351 0.641 25 15 Strong
assign (resid 306 and name C ) (resid 307 and name N )
(resid 307 and name CA ) (resid 307 and name C ) 1.0 -63.5 20.0 2
assign (resid 307 and name N ) (resid 307 and name CA )
(resid 307 and name C ) (resid 308 and name N ) 1.0 144.1 20.0 2
! 309 N -123.621 156.743 24.840 13.522 0.644 0.829 25 17 Strong
assign (resid 308 and name C ) (resid 309 and name N )
(resid 309 and name CA ) (resid 309 and name C ) 1.0 -123.6 49.7 2
assign (resid 309 and name N ) (resid 309 and name CA )
(resid 309 and name C ) (resid 310 and name N ) 1.0 156.7 27.0 2
! 310 R -68.647 -29.493 6.784 11.145 0.902 0.842 25 17 Strong
assign (resid 309 and name C ) (resid 310 and name N )
(resid 310 and name CA ) (resid 310 and name C ) 1.0 -68.6 20.0 2
assign (resid 310 and name N ) (resid 310 and name CA )
(resid 310 and name C ) (resid 311 and name N ) 1.0 -29.5 22.3 2
! 311 F -124.788 148.963 18.451 14.111 0.857 0.824 10 17 Generous
assign (resid 310 and name C ) (resid 311 and name N )
(resid 311 and name CA ) (resid 311 and name C ) 1.0 -124.8 55.4 2
assign (resid 311 and name N ) (resid 311 and name CA )
(resid 311 and name C ) (resid 312 and name N ) 1.0 149.0 42.3 2
! 313 I -75.475 134.299 12.171 13.280 0.758 0.714 25 15 Strong
assign (resid 312 and name C ) (resid 313 and name N )
(resid 313 and name CA ) (resid 313 and name C ) 1.0 -75.5 24.3 2
assign (resid 313 and name N ) (resid 313 and name CA )
(resid 313 and name C ) (resid 314 and name N ) 1.0 134.3 26.6 2
! 314 M -70.991 137.824 10.843 10.417 0.652 0.692 25 13 Strong
assign (resid 313 and name C ) (resid 314 and name N )
(resid 314 and name CA ) (resid 314 and name C ) 1.0 -71.0 21.7 2
assign (resid 314 and name N ) (resid 314 and name CA )
(resid 314 and name C ) (resid 315 and name N ) 1.0 137.8 20.8 2
! 315 P -64.549 145.777 7.192 8.546 0.485 0.722 25 11 Strong
assign (resid 314 and name C ) (resid 315 and name N )
(resid 315 and name CA ) (resid 315 and name C ) 1.0 -64.5 20.0 2
assign (resid 315 and name N ) (resid 315 and name CA )
(resid 315 and name C ) (resid 316 and name N ) 1.0 145.8 20.0 2
! 317 S -63.240 -26.335 8.062 8.460 0.497 0.784 25 16 Strong
assign (resid 316 and name C ) (resid 317 and name N )
(resid 317 and name CA ) (resid 317 and name C ) 1.0 -63.2 20.0 2
assign (resid 317 and name N ) (resid 317 and name CA )
(resid 317 and name C ) (resid 318 and name N ) 1.0 -26.3 20.0 2
! 318 R -79.908 -8.494 13.188 12.911 1.333 0.806 25 18 Strong
assign (resid 317 and name C ) (resid 318 and name N )
(resid 318 and name CA ) (resid 318 and name C ) 1.0 -79.9 26.4 2
assign (resid 318 and name N ) (resid 318 and name CA )
(resid 318 and name C ) (resid 319 and name N ) 1.0 -8.5 25.8 2
! 319 W -97.455 -0.365 11.831 12.683 1.588 0.833 10 17 Generous
assign (resid 318 and name C ) (resid 319 and name N )
(resid 319 and name CA ) (resid 319 and name C ) 1.0 -97.5 35.5 2
assign (resid 319 and name N ) (resid 319 and name CA )
(resid 319 and name C ) (resid 320 and name N ) 1.0 -0.4 38.0 2
! 321 G 89.709 -1.317 8.217 10.733 2.390 0.845 25 14 Strong
assign (resid 320 and name C ) (resid 321 and name N )
(resid 321 and name CA ) (resid 321 and name C ) 1.0 89.7 20.0 2
assign (resid 321 and name N ) (resid 321 and name CA )
(resid 321 and name C ) (resid 322 and name N ) 1.0 -1.3 21.5 2
! 322 V -79.358 128.804 14.846 9.355 1.968 0.848 25 15 Strong
assign (resid 321 and name C ) (resid 322 and name N )
(resid 322 and name CA ) (resid 322 and name C ) 1.0 -79.4 29.7 2
assign (resid 322 and name N ) (resid 322 and name CA )
(resid 322 and name C ) (resid 323 and name N ) 1.0 128.8 20.0 2
! 323 H -89.598 125.347 9.000 7.628 1.491 0.857 25 17 Strong
assign (resid 322 and name C ) (resid 323 and name N )
(resid 323 and name CA ) (resid 323 and name C ) 1.0 -89.6 20.0 2
assign (resid 323 and name N ) (resid 323 and name CA )
(resid 323 and name C ) (resid 324 and name N ) 1.0 125.3 20.0 2
! 324 R -105.212 132.925 15.897 11.369 1.820 0.862 25 17 Strong
assign (resid 323 and name C ) (resid 324 and name N )
(resid 324 and name CA ) (resid 324 and name C ) 1.0 -105.2 31.8 2
assign (resid 324 and name N ) (resid 324 and name CA )
(resid 324 and name C ) (resid 325 and name N ) 1.0 132.9 22.7 2
! 325 S -120.899 133.805 18.388 15.168 0.930 0.844 25 17 Strong
assign (resid 324 and name C ) (resid 325 and name N )
(resid 325 and name CA ) (resid 325 and name C ) 1.0 -120.9 36.8 2
assign (resid 325 and name N ) (resid 325 and name CA )
(resid 325 and name C ) (resid 326 and name N ) 1.0 133.8 30.3 2
! 328 F -59.023 -44.437 6.410 6.606 0.239 0.913 25 17 Strong
assign (resid 327 and name C ) (resid 328 and name N )
(resid 328 and name CA ) (resid 328 and name C ) 1.0 -59.0 20.0 2
assign (resid 328 and name N ) (resid 328 and name CA )
(resid 328 and name C ) (resid 329 and name N ) 1.0 -44.4 20.0 2
! 329 E -60.647 -43.449 4.670 4.618 0.177 0.925 25 18 Strong
assign (resid 328 and name C ) (resid 329 and name N )
(resid 329 and name CA ) (resid 329 and name C ) 1.0 -60.6 20.0 2
assign (resid 329 and name N ) (resid 329 and name CA )
(resid 329 and name C ) (resid 330 and name N ) 1.0 -43.4 20.0 2
! 330 E -64.925 -41.645 5.684 6.079 0.117 0.929 25 18 Strong
assign (resid 329 and name C ) (resid 330 and name N )
(resid 330 and name CA ) (resid 330 and name C ) 1.0 -64.9 20.0 2
assign (resid 330 and name N ) (resid 330 and name CA )
(resid 330 and name C ) (resid 331 and name N ) 1.0 -41.6 20.0 2
! 331 K -66.446 -41.142 3.605 4.353 0.086 0.925 25 18 Strong
assign (resid 330 and name C ) (resid 331 and name N )
(resid 331 and name CA ) (resid 331 and name C ) 1.0 -66.4 20.0 2
assign (resid 331 and name N ) (resid 331 and name CA )
(resid 331 and name C ) (resid 332 and name N ) 1.0 -41.1 20.0 2
! 332 W -64.158 -44.051 2.728 3.449 0.090 0.928 25 18 Strong
assign (resid 331 and name C ) (resid 332 and name N )
(resid 332 and name CA ) (resid 332 and name C ) 1.0 -64.2 20.0 2
assign (resid 332 and name N ) (resid 332 and name CA )
(resid 332 and name C ) (resid 333 and name N ) 1.0 -44.1 20.0 2
! 333 F -62.735 -42.445 4.065 4.981 0.089 0.912 25 18 Strong
assign (resid 332 and name C ) (resid 333 and name N )
(resid 333 and name CA ) (resid 333 and name C ) 1.0 -62.7 20.0 2
assign (resid 333 and name N ) (resid 333 and name CA )
(resid 333 and name C ) (resid 334 and name N ) 1.0 -42.4 20.0 2
! 334 A -65.354 -38.012 3.716 4.137 0.109 0.879 25 18 Strong
assign (resid 333 and name C ) (resid 334 and name N )
(resid 334 and name CA ) (resid 334 and name C ) 1.0 -65.4 20.0 2
assign (resid 334 and name N ) (resid 334 and name CA )
(resid 334 and name C ) (resid 335 and name N ) 1.0 -38.0 20.0 2
! 335 K -69.582 -36.016 4.478 7.620 0.141 0.824 25 18 Strong
assign (resid 334 and name C ) (resid 335 and name N )
(resid 335 and name CA ) (resid 335 and name C ) 1.0 -69.6 20.0 2
assign (resid 335 and name N ) (resid 335 and name CA )
(resid 335 and name C ) (resid 336 and name N ) 1.0 -36.0 20.0 2
! 336 Q -68.350 -29.511 5.175 8.035 0.190 0.771 25 18 Strong
assign (resid 335 and name C ) (resid 336 and name N )
(resid 336 and name CA ) (resid 336 and name C ) 1.0 -68.3 20.0 2
assign (resid 336 and name N ) (resid 336 and name CA )
(resid 336 and name C ) (resid 337 and name N ) 1.0 -29.5 20.0 2
! 337 N -71.869 -21.464 7.730 6.969 0.256 0.661 25 18 Strong
assign (resid 336 and name C ) (resid 337 and name N )
(resid 337 and name CA ) (resid 337 and name C ) 1.0 -71.9 20.0 2
assign (resid 337 and name N ) (resid 337 and name CA )
(resid 337 and name C ) (resid 338 and name N ) 1.0 -21.5 20.0 2 assign ((segid A and resid 41 and name HG2* )) ((segid A and resid 56 and name HN )) 3.90 2.10 0.39
;
save_
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