NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
571176 |
2m3y   |
18979 | cing | 2-parsed | STAR | entry | full |
data_2m3y_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m3y
_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_2m3y 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m3y
_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 2m3y "Master copy" parsed_2m3y
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m3y
_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 2m3y.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m3y 1
1 2m3y.mr . . AMBER 2 distance NOE simple 0 parsed_2m3y 1
1 2m3y.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2m3y 1
1 2m3y.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2m3y 1
1 2m3y.mr . . AMBER 5 distance "general distance" simple 0 parsed_2m3y 1
1 2m3y.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m3y 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2m3y
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DNA 28-JAN-13 2M3Y
*TITLE DNA CONTAINING A CLUSTER OF 8-OXO-GUANINE AND ABASIC SITE LESION: BETA
*TITLE 2 ANOMER
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*CP*TP*CP*(AAB)P*CP*AP*CP*GP*C)-3');
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: DNA (5'-D(*GP*CP*GP*TP*GP*GP*GP*AP*(8OG)P*CP*G)-3');
*COMPND 7 CHAIN: B;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 MOL_ID: 2;
*SOURCE 4 SYNTHETIC: YES
*KEYWDS DNA LESION CLUSTER, 8-OXO-GUANINE, ABASIC SITE, DNA
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR J.ZALESAK, M.JOURDAN, J.CONSTANT, M.LOURDIN
*REVDAT 1 08-JAN-14 2M3Y 0
;
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m3y
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
# 684 atoms read from pdb file ORP8oxo2-Jan.pdb.
# 2 GUA ALPHA: (1 DC5 O3')-(2 DG P)-(2 DG O5')-(2 DG C5') -90.0 -30.0
&rst iat = 28, 29, 32, 33,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
rk2 = 32.0, rk3 = 32.0, &end
# 3 CYT ALPHA: (2 DG O3')-(3 DC P)-(3 DC O5')-(3 DC C5') -90.0 -30.0
&rst iat = 61, 62, 65, 66,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 4 THY ALPHA: (3 DC O3')-(4 DT P)-(4 DT O5')-(4 DT C5') -90.0 -30.0
&rst iat = 91, 92, 95, 96,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 5 CYT ALPHA: (4 DT O3')-(5 DC P)-(5 DC O5')-(5 DC C5') -90.0 -30.0
&rst iat = 123, 124, 127, 128,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 7 CYT ALPHA: (6 ORP O3')-(7 DC P)-(7 DC O5')-(7 DC C5') -90.0 -30.0
&rst iat = 154, 174, 177, 178,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 8 ADE ALPHA: (7 DC O3')-(8 DA P)-(8 DA O5')-(8 DA C5') -90.0 -30.0
&rst iat = 203, 204, 207, 208,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 9 CYT ALPHA: (8 DA O3')-(9 DC P)-(9 DC O5')-(9 DC C5') -90.0 -30.0
&rst iat = 235, 236, 239, 240,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 10 GUA ALPHA: (9 DC O3')-(10 DG P)-(10 DG O5')-(10 DG C5') -90.0 -30.0
&rst iat = 265, 266, 269, 270,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 11 CYT ALPHA: (10 DG O3')-(11 DC3 P)-(11 DC3 O5')-(11 DC3 C5') -90.0 -30.0
&rst iat = 298, 299, 302, 303,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 2 GUA BETA: (2 DG P)-(2 DG O5')-(2 DG C5')-(2 DG C4') 90.0 240.0
&rst iat = 29, 32, 33, 36,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 3 CYT BETA: (3 DC P)-(3 DC O5')-(3 DC C5')-(3 DC C4') 90.0 240.0
&rst iat = 62, 65, 66, 69,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 4 THY BETA: (4 DT P)-(4 DT O5')-(4 DT C5')-(4 DT C4') 90.0 240.0
&rst iat = 92, 95, 96, 99,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 5 CYT BETA: (5 DC P)-(5 DC O5')-(5 DC C5')-(5 DC C4') 90.0 240.0
&rst iat = 124, 127, 128, 131,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 7 CYT BETA: (7 DC P)-(7 DC O5')-(7 DC C5')-(7 DC C4') 90.0 240.0
&rst iat = 174, 177, 178, 181,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 8 ADE BETA: (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') 90.0 240.0
&rst iat = 204, 207, 208, 211,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 9 CYT BETA: (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') 90.0 240.0
&rst iat = 236, 239, 240, 243,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 10 GUA BETA: (10 DG P)-(10 DG O5')-(10 DG C5')-(10 DG C4') 90.0 240.0
&rst iat = 266, 269, 270, 273,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 11 CYT BETA: (11 DC3 P)-(11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4') 90.0 240.0
&rst iat = 299, 302, 303, 306,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 2 GUA GAMMA: (2 DG O5')-(2 DG C5')-(2 DG C4')-(2 DG C3') 0.0 120.0
&rst iat = 32, 33, 36, 56,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 3 CYT GAMMA: (3 DC O5')-(3 DC C5')-(3 DC C4')-(3 DC C3') 0.0 120.0
&rst iat = 65, 66, 69, 86,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 4 THY GAMMA: (4 DT O5')-(4 DT C5')-(4 DT C4')-(4 DT C3') 0.0 120.0
&rst iat = 95, 96, 99, 118,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 5 CYT GAMMA: (5 DC O5')-(5 DC C5')-(5 DC C4')-(5 DC C3') 0.0 120.0
&rst iat = 127, 128, 131, 148,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 7 CYT GAMMA: (7 DC O5')-(7 DC C5')-(7 DC C4')-(7 DC C3') 0.0 120.0
&rst iat = 177, 178, 181, 198,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 8 ADE GAMMA: (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3') 0.0 120.0
&rst iat = 207, 208, 211, 230,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 9 CYT GAMMA: (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3') 0.0 120.0
&rst iat = 239, 240, 243, 260,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 10 GUA GAMMA: (10 DG O5')-(10 DG C5')-(10 DG C4')-(10 DG C3') 0.0 120.0
&rst iat = 269, 270, 273, 293,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 11 CYT GAMMA: (11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4')-(11 DC3 C3') 0.0 120.0
&rst iat = 302, 303, 306, 323,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 1 CYT EPSILN: (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 DG P) -240.0 10.0
&rst iat = 6, 23, 28, 29,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 2 GUA EPSILN: (2 DG C4')-(2 DG C3')-(2 DG O3')-(3 DC P) -240.0 10.0
&rst iat = 36, 56, 61, 62,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 3 CYT EPSILN: (3 DC C4')-(3 DC C3')-(3 DC O3')-(4 DT P) -240.0 10.0
&rst iat = 69, 86, 91, 92,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 4 THY EPSILN: (4 DT C4')-(4 DT C3')-(4 DT O3')-(5 DC P) -240.0 10.0
&rst iat = 99, 118, 123, 124,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 5 CYT EPSILN: (5 DC C4')-(5 DC C3')-(5 DC O3')-(6 ORP P) -240.0 10.0
&rst iat = 131, 148, 153, 155,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 7 CYT EPSILN: (7 DC C4')-(7 DC C3')-(7 DC O3')-(8 DA P) -240.0 10.0
&rst iat = 181, 198, 203, 204,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 8 ADE EPSILN: (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DC P) -240.0 10.0
&rst iat = 211, 230, 235, 236,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 9 CYT EPSILN: (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DG P) -240.0 10.0
&rst iat = 243, 260, 265, 266,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 10 GUA EPSILN: (10 DG C4')-(10 DG C3')-(10 DG O3')-(11 DC3 P) -240.0 10.0
&rst iat = 273, 293, 298, 299,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 1 CYT ZETA: (1 DC5 C3')-(1 DC5 O3')-(2 DG P)-(2 DG O5') 150.0 315.0
&rst iat = 23, 28, 29, 32,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 2 GUA ZETA: (2 DG C3')-(2 DG O3')-(3 DC P)-(3 DC O5') 150.0 315.0
&rst iat = 56, 61, 62, 65,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 3 CYT ZETA: (3 DC C3')-(3 DC O3')-(4 DT P)-(4 DT O5') 150.0 315.0
&rst iat = 86, 91, 92, 95,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 4 THY ZETA: (4 DT C3')-(4 DT O3')-(5 DC P)-(5 DC O5') 150.0 315.0
&rst iat = 118, 123, 124, 127,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 5 CYT ZETA: (5 DC C3')-(5 DC O3')-(6 ORP P)-(6 ORP O5') 150.0 315.0
&rst iat = 148, 153, 155, 158,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 7 CYT ZETA: (7 DC C3')-(7 DC O3')-(8 DA P)-(8 DA O5') 150.0 315.0
&rst iat = 198, 203, 204, 207,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 8 ADE ZETA: (8 DA C3')-(8 DA O3')-(9 DC P)-(9 DC O5') 150.0 315.0
&rst iat = 230, 235, 236, 239,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 9 CYT ZETA: (9 DC C3')-(9 DC O3')-(10 DG P)-(10 DG O5') 150.0 315.0
&rst iat = 260, 265, 266, 269,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 10 GUA ZETA: (10 DG C3')-(10 DG O3')-(11 DC3 P)-(11 DC3 O5') 150.0 315.0
&rst iat = 293, 298, 299, 302,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 13 CYT ALPHA: (12 DG5 O3')-(13 DC P)-(13 DC O5')-(13 DC C5') -90.0 -30.0
&rst iat = 360, 361, 364, 365,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 14 GUA ALPHA: (13 DC O3')-(14 DG P)-(14 DG O5')-(14 DG C5') -90.0 -30.0
&rst iat = 390, 391, 394, 395,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 15 THY ALPHA: (14 DG O3')-(15 DT P)-(15 DT O5')-(15 DT C5') -90.0 -30.0
&rst iat = 423, 424, 427, 428,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 16 GUA ALPHA: (15 DT O3')-(16 DG P)-(16 DG O5')-(16 DG C5') -90.0 -30.0
&rst iat = 455, 456, 459, 460,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 18 GUA ALPHA: (17 DG O3')-(18 DG P)-(18 DG O5')-(18 DG C5') -90.0 -30.0
&rst iat = 521, 522, 525, 526,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 19 ADE ALPHA: (18 DG O3')-(19 DA P)-(19 DA O5')-(19 DA C5') -90.0 -30.0
&rst iat = 554, 555, 558, 559,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 21 CYT ALPHA: (20 8OG O3')-(21 DC P)-(21 DC O5')-(21 DC C5') -90.0 -30.0
&rst iat = 620, 621, 624, 625,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 22 GUA ALPHA: (21 DC O3')-(22 DG3 P)-(22 DG3 O5')-(22 DG3 C5') -90.0 -30.0
&rst iat = 650, 651, 654, 655,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 13 CYT BETA: (13 DC P)-(13 DC O5')-(13 DC C5')-(13 DC C4') 90.0 240.0
&rst iat = 361, 364, 365, 368,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 14 GUA BETA: (14 DG P)-(14 DG O5')-(14 DG C5')-(14 DG C4') 90.0 240.0
&rst iat = 391, 394, 395, 398,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 15 THY BETA: (15 DT P)-(15 DT O5')-(15 DT C5')-(15 DT C4') 90.0 240.0
&rst iat = 424, 427, 428, 431,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 16 GUA BETA: (16 DG P)-(16 DG O5')-(16 DG C5')-(16 DG C4') 90.0 240.0
&rst iat = 456, 459, 460, 463,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 18 GUA BETA: (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') 90.0 240.0
&rst iat = 522, 525, 526, 529,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 19 ADE BETA: (19 DA P)-(19 DA O5')-(19 DA C5')-(19 DA C4') 90.0 240.0
&rst iat = 555, 558, 559, 562,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 21 CYT BETA: (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4') 90.0 240.0
&rst iat = 621, 624, 625, 628,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 22 GUA BETA: (22 DG3 P)-(22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4') 90.0 240.0
&rst iat = 651, 654, 655, 658,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 12 GUA GAMMA: (12 DG5 O5')-(12 DG5 C5')-(12 DG5 C4')-(12 DG5 C3') 0.0 120.0
&rst iat = 331, 332, 335, 355,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 13 CYT GAMMA: (13 DC O5')-(13 DC C5')-(13 DC C4')-(13 DC C3') 0.0 120.0
&rst iat = 364, 365, 368, 385,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 14 GUA GAMMA: (14 DG O5')-(14 DG C5')-(14 DG C4')-(14 DG C3') 0.0 120.0
&rst iat = 394, 395, 398, 418,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 15 THY GAMMA: (15 DT O5')-(15 DT C5')-(15 DT C4')-(15 DT C3') 0.0 120.0
&rst iat = 427, 428, 431, 450,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 16 GUA GAMMA: (16 DG O5')-(16 DG C5')-(16 DG C4')-(16 DG C3') 0.0 120.0
&rst iat = 459, 460, 463, 483,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 18 GUA GAMMA: (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3') 0.0 120.0
&rst iat = 525, 526, 529, 549,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 19 ADE GAMMA: (19 DA O5')-(19 DA C5')-(19 DA C4')-(19 DA C3') 0.0 120.0
&rst iat = 558, 559, 562, 581,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 21 CYT GAMMA: (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3') 0.0 120.0
&rst iat = 624, 625, 628, 645,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 22 GUA GAMMA: (22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4')-(22 DG3 C3') 0.0 120.0
&rst iat = 654, 655, 658, 678,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 12 GUA EPSILN: (12 DG5 C4')-(12 DG5 C3')-(12 DG5 O3')-(13 DC P) -240.0 10.0
&rst iat = 335, 355, 360, 361,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 13 CYT EPSILN: (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DG P) -240.0 10.0
&rst iat = 368, 385, 390, 391,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 14 GUA EPSILN: (14 DG C4')-(14 DG C3')-(14 DG O3')-(15 DT P) -240.0 10.0
&rst iat = 398, 418, 423, 424,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 15 THY EPSILN: (15 DT C4')-(15 DT C3')-(15 DT O3')-(16 DG P) -240.0 10.0
&rst iat = 431, 450, 455, 456,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 16 GUA EPSILN: (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DG P) -240.0 10.0
&rst iat = 463, 483, 488, 489,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 18 GUA EPSILN: (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DA P) -240.0 10.0
&rst iat = 529, 549, 554, 555,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 19 ADE EPSILN: (19 DA C4')-(19 DA C3')-(19 DA O3')-(20 8OG P) -240.0 10.0
&rst iat = 562, 581, 586, 587,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 21 CYT EPSILN: (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DG3 P) -240.0 10.0
&rst iat = 628, 645, 650, 651,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 12 GUA ZETA: (12 DG5 C3')-(12 DG5 O3')-(13 DC P)-(13 DC O5') 150.0 315.0
&rst iat = 355, 360, 361, 364,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 13 CYT ZETA: (13 DC C3')-(13 DC O3')-(14 DG P)-(14 DG O5') 150.0 315.0
&rst iat = 385, 390, 391, 394,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 14 GUA ZETA: (14 DG C3')-(14 DG O3')-(15 DT P)-(15 DT O5') 150.0 315.0
&rst iat = 418, 423, 424, 427,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 15 THY ZETA: (15 DT C3')-(15 DT O3')-(16 DG P)-(16 DG O5') 150.0 315.0
&rst iat = 450, 455, 456, 459,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 16 GUA ZETA: (16 DG C3')-(16 DG O3')-(17 DG P)-(17 DG O5') 150.0 315.0
&rst iat = 483, 488, 489, 492,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 18 GUA ZETA: (18 DG C3')-(18 DG O3')-(19 DA P)-(19 DA O5') 150.0 315.0
&rst iat = 549, 554, 555, 558,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 19 ADE ZETA: (19 DA C3')-(19 DA O3')-(20 8OG P)-(20 8OG O5') 150.0 315.0
&rst iat = 581, 586, 587, 590,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 21 CYT ZETA: (21 DC C3')-(21 DC O3')-(22 DG3 P)-(22 DG3 O5') 150.0 315.0
&rst iat = 645, 650, 651, 654,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
#
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1 1 431 1 parsed_2m3y 1
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