NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
592658 | 2n2m | 25281 | cing | 2-parsed | STAR | entry | full | 475 |
data_2n2m_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2n2m _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_2n2m 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2n2m _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 2n2m "Master copy" parsed_2n2m stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2n2m _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 2n2m.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 240 parsed_2n2m 1 1 2n2m.mr . . "MR format" 3 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_2n2m 1 1 2n2m.mr . . "MR format" 5 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 6 distance NOE simple 14 parsed_2n2m 1 1 2n2m.mr . . "MR format" 7 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 8 distance NOE simple 19 parsed_2n2m 1 1 2n2m.mr . . "MR format" 9 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 10 distance NOE simple 15 parsed_2n2m 1 1 2n2m.mr . . "MR format" 11 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 12 distance NOE simple 22 parsed_2n2m 1 1 2n2m.mr . . "MR format" 13 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 14 distance NOE simple 30 parsed_2n2m 1 1 2n2m.mr . . "MR format" 15 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 16 distance NOE simple 18 parsed_2n2m 1 1 2n2m.mr . . "MR format" 17 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 18 distance NOE simple 15 parsed_2n2m 1 1 2n2m.mr . . "MR format" 19 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 20 distance NOE simple 13 parsed_2n2m 1 1 2n2m.mr . . "MR format" 21 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 22 distance "hydrogen bond" simple 8 parsed_2n2m 1 1 2n2m.mr . . "MR format" 23 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 24 distance "hydrogen bond" simple 9 parsed_2n2m 1 1 2n2m.mr . . "MR format" 25 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 26 distance "hydrogen bond" simple 10 parsed_2n2m 1 1 2n2m.mr . . "MR format" 27 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 28 distance "hydrogen bond" simple 12 parsed_2n2m 1 1 2n2m.mr . . "MR format" 29 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 30 distance "hydrogen bond" simple 11 parsed_2n2m 1 1 2n2m.mr . . "MR format" 31 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 32 distance "hydrogen bond" simple 8 parsed_2n2m 1 1 2n2m.mr . . "MR format" 33 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 34 distance "hydrogen bond" simple 10 parsed_2n2m 1 1 2n2m.mr . . "MR format" 35 comment "Not applicable" "Not applicable" 0 parsed_2n2m 1 1 2n2m.mr . . XPLOR/CNS 36 distance "hydrogen bond" simple 9 parsed_2n2m 1 1 2n2m.mr . . "MR format" 37 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n2m 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_2n2m _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 MEMBRANE PROTEIN 10-MAY-15 2N2M *TITLE NMR STRUCTURE OF YERSINIA PESTIS AIL (ATTACHMENT INVASION LOCUS) IN *TITLE 2 DECYLPHOSPHOCHOLINE MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN X; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; *SOURCE 3 ORGANISM_TAXID: 632; *SOURCE 4 GENE: OMPX, Y1324; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET *KEYWDS MEMBRANE PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR F.M.MARASSI, Y.DING, Y.YAO *REVDAT 1 22-JUL-15 2N2M 0 ! REMARK error margins are set to conservative default values of double the standard deviation ! observed in TALOS-N, capped at a minimum of +/-20 degree. ! REMARK Phi/Psi Angles From 'Strong' Predictions ; save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2n2m _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.5 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2n2m 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.4 161.4 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2n2m 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.8 -81.6 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2n2m 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.5 166.5 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2n2m 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.3 -69.5 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2n2m 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.7 159.1 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2n2m 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.1 -68.5 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2n2m 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.5 145.5 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2n2m 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.5 -99.5 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2n2m 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.7 179.5 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2n2m 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.7 -110.3 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2n2m 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 170.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2n2m 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.7 -74.9 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2n2m 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.4 185.4 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2n2m 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.6 -83.8 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2n2m 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2n2m 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.1 -93.7 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2n2m 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.1 171.5 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2n2m 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.6 -96.4 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2n2m 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.3 151.3 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2n2m 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.1 -56.1 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2n2m 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.7 166.5 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2n2m 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -69.5 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2n2m 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.5 171.1 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2n2m 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.0 -89.2 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2n2m 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.4 148.4 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2n2m 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.7 -58.5 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2n2m 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.4 156.4 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2n2m 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.1 -95.9 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2n2m 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.1 185.3 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2n2m 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.9 -46.9 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2n2m 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.5 -10.9 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2n2m 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.4 -71.4 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2n2m 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.9 28.1 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2n2m 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.3 90.3 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2n2m 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 35.6 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2n2m 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.3 -58.7 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2n2m 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.3 156.7 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2n2m 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2n2m 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.1 158.1 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2n2m 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.7 -93.1 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2n2m 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.5 179.1 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2n2m 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.7 -108.7 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2n2m 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 172.8 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2n2m 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.6 -107.6 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2n2m 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 163.8 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2n2m 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.4 -91.8 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2n2m 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.4 152.4 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2n2m 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.3 -97.3 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2n2m 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.5 163.3 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2n2m 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.6 -92.4 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2n2m 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.2 152.2 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2n2m 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.9 -91.9 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2n2m 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 151.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2n2m 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.6 -90.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2n2m 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.3 159.5 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2n2m 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.9 -100.9 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2n2m 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 174.0 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2n2m 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.5 -49.3 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2n2m 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.1 192.5 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2n2m 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.4 -100.2 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2n2m 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.7 161.7 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2n2m 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.2 -100.6 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2n2m 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 157.0 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2n2m 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.4 -80.8 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2n2m 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.4 148.4 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2n2m 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.8 -95.8 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2n2m 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.8 148.8 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2n2m 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -92.6 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2n2m 1 70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.3 155.3 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2n2m 1 71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.7 -71.3 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2n2m 1 72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.8 159.2 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2n2m 1 73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.8 -92.8 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2n2m 1 74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.5 178.7 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2n2m 1 75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.6 -50.2 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2n2m 1 76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.8 180.0 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2n2m 1 77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.2 -42.2 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2n2m 1 78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.4 160.6 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2n2m 1 79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.8 -58.4 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2n2m 1 80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.3 162.1 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2n2m 1 81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.7 -59.9 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2n2m 1 82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.4 172.8 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2n2m 1 83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.7 -50.7 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2n2m 1 84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 154.0 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2n2m 1 85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.8 -80.4 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2n2m 1 86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.1 175.9 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2n2m 1 87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.7 -89.7 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2n2m 1 88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.1 160.5 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2n2m 1 89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.9 105.9 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2n2m 1 90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.9 17.9 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2n2m 1 91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.7 80.7 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2n2m 1 92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.2 54.2 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2n2m 1 93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.8 -72.8 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2n2m 1 94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.3 163.7 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2n2m 1 95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.1 -84.1 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2n2m 1 96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.8 157.2 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2n2m 1 97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.2 -86.4 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2n2m 1 98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 151.1 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2n2m 1 99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.6 -104.6 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2n2m 1 100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.7 169.7 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2n2m 1 101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.7 -87.3 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2n2m 1 102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.5 164.5 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2n2m 1 103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.2 -91.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2n2m 1 104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.2 157.6 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2n2m 1 105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.6 -104.6 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2n2m 1 106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.8 178.8 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2n2m 1 107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -49.4 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2n2m 1 108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.5 167.5 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2n2m 1 109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -83.6 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2n2m 1 110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.2 147.2 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2n2m 1 111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.7 -83.3 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2n2m 1 112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.3 148.5 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2n2m 1 113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.8 -58.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2n2m 1 114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.4 136.8 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2n2m 1 115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.9 -47.9 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2n2m 1 116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.2 -7.8 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2n2m 1 117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.9 -93.1 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2n2m 1 118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2n2m 1 119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.4 -62.2 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2n2m 1 120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.3 152.3 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2n2m 1 121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.6 -99.4 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2n2m 1 122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.3 158.9 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2n2m 1 123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.2 -113.2 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_2n2m 1 124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.6 173.4 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_2n2m 1 125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.7 -88.1 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_2n2m 1 126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.4 178.4 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_2n2m 1 127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.1 -99.1 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_2n2m 1 128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.2 159.8 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_2n2m 1 129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.8 -105.2 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2n2m 1 130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.5 161.9 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_2n2m 1 131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.1 -96.9 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2n2m 1 132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.6 157.2 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_2n2m 1 133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.2 -85.6 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_2n2m 1 134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.4 172.6 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_2n2m 1 135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.4 -104.8 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_2n2m 1 136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.1 162.7 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_2n2m 1 137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.7 -96.1 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_2n2m 1 138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 176.4 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_2n2m 1 139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.1 -90.9 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_2n2m 1 140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.9 158.7 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_2n2m 1 141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.3 -103.3 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_2n2m 1 142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 153.0 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_2n2m 1 143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.2 -86.2 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2n2m 1 144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.5 148.5 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2n2m 1 145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.1 -95.1 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2n2m 1 146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.3 163.3 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2n2m 1 147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.1 -87.7 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_2n2m 1 148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.1 164.5 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_2n2m 1 149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.1 -114.7 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_2n2m 1 150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.5 174.5 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_2n2m 1 151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.8 -100.4 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_2n2m 1 152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.1 155.3 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_2n2m 1 153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.6 -106.6 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_2n2m 1 154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.7 173.7 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_2n2m 1 155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.4 -64.8 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_2n2m 1 156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 173.9 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_2n2m 1 157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.3 -110.1 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_2n2m 1 158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.1 167.1 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_2n2m 1 159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.4 -125.8 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_2n2m 1 160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.1 173.1 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_2n2m 1 161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.8 -112.2 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_2n2m 1 162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.1 172.1 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_2n2m 1 163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.5 -127.5 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_2n2m 1 164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.1 169.1 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_2n2m 1 165 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.2 -101.6 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_2n2m 1 166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.5 169.3 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_2n2m 1 167 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.5 -105.9 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2n2m 1 168 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.5 162.5 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2n2m 1 169 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.1 -79.5 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_2n2m 1 170 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.5 148.5 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_2n2m 1 171 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.9 -102.7 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2n2m 1 172 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.4 177.6 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2n2m 1 173 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -59.5 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_2n2m 1 174 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.4 152.4 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_2n2m 1 175 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.1 -81.1 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_2n2m 1 176 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.4 163.2 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_2n2m 1 177 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.1 -96.1 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2n2m 1 178 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 176.6 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_2n2m 1 179 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.5 -109.5 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_2n2m 1 180 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.2 179.2 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_2n2m 1 181 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.3 -93.1 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_2n2m 1 182 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.8 150.8 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_2n2m 1 183 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.6 -92.8 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2n2m 1 184 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.3 155.1 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_2n2m 1 185 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.5 -61.1 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_2n2m 1 186 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.6 157.4 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_2n2m 1 187 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.0 -105.8 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2n2m 1 188 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.2 188.8 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2n2m 1 189 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.3 -36.3 . . 126 . C . 127 . N . 127 . CA . 127 . C parsed_2n2m 1 190 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -7.0 . . 127 . N . 127 . CA . 127 . C . 128 . N parsed_2n2m 1 191 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.3 -83.1 . . 127 . C . 128 . N . 128 . CA . 128 . C parsed_2n2m 1 192 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.8 33.2 . . 128 . N . 128 . CA . 128 . C . 129 . N parsed_2n2m 1 193 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.9 -102.1 . . 128 . C . 129 . N . 129 . CA . 129 . C parsed_2n2m 1 194 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.8 172.4 . . 129 . N . 129 . CA . 129 . C . 130 . N parsed_2n2m 1 195 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.7 -90.1 . . 129 . C . 130 . N . 130 . CA . 130 . C parsed_2n2m 1 196 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.2 151.2 . . 130 . N . 130 . CA . 130 . C . 131 . N parsed_2n2m 1 197 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.1 -90.1 . . 130 . C . 131 . N . 131 . CA . 131 . C parsed_2n2m 1 198 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.1 147.1 . . 131 . N . 131 . CA . 131 . C . 132 . N parsed_2n2m 1 199 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.4 -105.4 . . 131 . C . 132 . N . 132 . CA . 132 . C parsed_2n2m 1 200 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.2 159.8 . . 132 . N . 132 . CA . 132 . C . 133 . N parsed_2n2m 1 201 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.5 -87.1 . . 132 . C . 133 . N . 133 . CA . 133 . C parsed_2n2m 1 202 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.2 166.2 . . 133 . N . 133 . CA . 133 . C . 134 . N parsed_2n2m 1 203 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.9 -106.1 . . 133 . C . 134 . N . 134 . CA . 134 . C parsed_2n2m 1 204 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.7 173.5 . . 134 . N . 134 . CA . 134 . C . 135 . N parsed_2n2m 1 205 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.4 -109.4 . . 134 . C . 135 . N . 135 . CA . 135 . C parsed_2n2m 1 206 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.2 163.2 . . 135 . N . 135 . CA . 135 . C . 136 . N parsed_2n2m 1 207 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.1 -103.1 . . 135 . C . 136 . N . 136 . CA . 136 . C parsed_2n2m 1 208 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 136 . N . 136 . CA . 136 . C . 137 . N parsed_2n2m 1 209 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.5 -103.5 . . 136 . C . 137 . N . 137 . CA . 137 . C parsed_2n2m 1 210 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.6 169.4 . . 137 . N . 137 . CA . 137 . C . 138 . N parsed_2n2m 1 211 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.7 -89.1 . . 137 . C . 138 . N . 138 . CA . 138 . C parsed_2n2m 1 212 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.3 159.3 . . 138 . N . 138 . CA . 138 . C . 139 . N parsed_2n2m 1 213 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.2 -63.0 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_2n2m 1 214 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.5 148.1 . . 139 . N . 139 . CA . 139 . C . 140 . N parsed_2n2m 1 215 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.5 -62.7 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_2n2m 1 216 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.9 153.7 . . 140 . N . 140 . CA . 140 . C . 141 . N parsed_2n2m 1 217 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 140 . C . 141 . N . 141 . CA . 141 . C parsed_2n2m 1 218 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.3 -2.3 . . 141 . N . 141 . CA . 141 . C . 142 . N parsed_2n2m 1 219 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.9 -62.9 . . 141 . C . 142 . N . 142 . CA . 142 . C parsed_2n2m 1 220 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.2 11.6 . . 142 . N . 142 . CA . 142 . C . 143 . N parsed_2n2m 1 221 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.5 -50.7 . . 142 . C . 143 . N . 143 . CA . 143 . C parsed_2n2m 1 222 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.6 153.0 . . 143 . N . 143 . CA . 143 . C . 144 . N parsed_2n2m 1 223 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.9 -58.7 . . 143 . C . 144 . N . 144 . CA . 144 . C parsed_2n2m 1 224 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.8 149.4 . . 144 . N . 144 . CA . 144 . C . 145 . N parsed_2n2m 1 225 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.4 -77.4 . . 144 . C . 145 . N . 145 . CA . 145 . C parsed_2n2m 1 226 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.4 157.4 . . 145 . N . 145 . CA . 145 . C . 146 . N parsed_2n2m 1 227 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.6 -95.0 . . 147 . C . 148 . N . 148 . CA . 148 . C parsed_2n2m 1 228 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.2 161.2 . . 148 . N . 148 . CA . 148 . C . 149 . N parsed_2n2m 1 229 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.7 -90.5 . . 148 . C . 149 . N . 149 . CA . 149 . C parsed_2n2m 1 230 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.7 148.7 . . 149 . N . 149 . CA . 149 . C . 150 . N parsed_2n2m 1 231 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.6 -98.2 . . 149 . C . 150 . N . 150 . CA . 150 . C parsed_2n2m 1 232 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 157.8 . . 150 . N . 150 . CA . 150 . C . 151 . N parsed_2n2m 1 233 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -203.9 -100.3 . . 150 . C . 151 . N . 151 . CA . 151 . C parsed_2n2m 1 234 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.8 219.4 . . 151 . N . 151 . CA . 151 . C . 152 . N parsed_2n2m 1 235 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -115.2 . . 151 . C . 152 . N . 152 . CA . 152 . C parsed_2n2m 1 236 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.9 176.9 . . 152 . N . 152 . CA . 152 . C . 153 . N parsed_2n2m 1 237 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.1 -109.9 . . 153 . C . 154 . N . 154 . CA . 154 . C parsed_2n2m 1 238 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.9 170.7 . . 154 . N . 154 . CA . 154 . C . 155 . N parsed_2n2m 1 239 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.5 -76.5 . . 154 . C . 155 . N . 155 . CA . 155 . C parsed_2n2m 1 240 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 147.4 . . 155 . N . 155 . CA . 155 . C . 156 . N parsed_2n2m 1 stop_ save_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 3 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment "! REMARK Phi/Psi Angles From 'Generous' Predictions " save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2n2m _Torsion_angle_constraint_list.ID 2 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.2 -50.2 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2n2m 2 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2n2m 2 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.4 -38.2 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2n2m 2 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.3 3.3 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2n2m 2 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.6 113.8 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2n2m 2 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.3 13.3 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2n2m 2 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.4 -49.4 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2n2m 2 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.3 182.7 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2n2m 2 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.7 -62.3 . . 145 . C . 146 . N . 146 . CA . 146 . C parsed_2n2m 2 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.2 175.4 . . 146 . N . 146 . CA . 146 . C . 147 . N parsed_2n2m 2 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.0 -97.0 . . 146 . C . 147 . N . 147 . CA . 147 . C parsed_2n2m 2 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.9 147.9 . . 147 . N . 147 . CA . 147 . C . 148 . N parsed_2n2m 2 stop_ save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; !! NOEs for Y. pestis Ail !! NOE distances obtained from CYANA !! numbers specify: NOE, loNOE (NOE-1.8,vdw), hiNOE (NOE+45%) !! short 2.5 0.7 1.1 !! medium 3.0 1.2 1.4 !! long 4.0 2.2 1.8 ! beta 1 and 2 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_6 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 6 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 1 2 1 . . . parsed_2n2m 1 3 1 . . . parsed_2n2m 1 4 1 . . . parsed_2n2m 1 5 1 . . . parsed_2n2m 1 6 1 . . . parsed_2n2m 1 7 1 . . . parsed_2n2m 1 8 1 . . . parsed_2n2m 1 9 1 . . . parsed_2n2m 1 10 1 . . . parsed_2n2m 1 11 1 . . . parsed_2n2m 1 12 1 . . . parsed_2n2m 1 13 1 . . . parsed_2n2m 1 14 1 . . . parsed_2n2m 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 5 . HN parsed_2n2m 1 1 1 2 . . . . . . . . . 35 . HN parsed_2n2m 1 2 1 1 . . . . . . . . . 5 . HN parsed_2n2m 1 2 1 2 . . . . . . . . . 34 . HN parsed_2n2m 1 3 1 1 . . . . . . . . . 7 . HN parsed_2n2m 1 3 1 2 . . . . . . . . . 33 . HN parsed_2n2m 1 4 1 1 . . . . . . . . . 7 . HN parsed_2n2m 1 4 1 2 . . . . . . . . . 32 . HN parsed_2n2m 1 5 1 1 . . . . . . . . . 9 . HN parsed_2n2m 1 5 1 2 . . . . . . . . . 32 . HN parsed_2n2m 1 6 1 1 . . . . . . . . . 9 . HN parsed_2n2m 1 6 1 2 . . . . . . . . . 31 . HN parsed_2n2m 1 7 1 1 . . . . . . . . . 9 . HN parsed_2n2m 1 7 1 2 . . . . . . . . . 30 . HN parsed_2n2m 1 8 1 1 . . . . . . . . . 10 . HN parsed_2n2m 1 8 1 2 . . . . . . . . . 30 . HN parsed_2n2m 1 9 1 1 . . . . . . . . . 11 . HN parsed_2n2m 1 9 1 2 . . . . . . . . . 30 . HN parsed_2n2m 1 10 1 1 . . . . . . . . . 11 . HN parsed_2n2m 1 10 1 2 . . . . . . . . . 29 . HN parsed_2n2m 1 11 1 1 . . . . . . . . . 11 . HN parsed_2n2m 1 11 1 2 . . . . . . . . . 28 . HN parsed_2n2m 1 12 1 1 . . . . . . . . . 13 . HN parsed_2n2m 1 12 1 2 . . . . . . . . . 28 . HN parsed_2n2m 1 13 1 1 . . . . . . . . . 13 . HN parsed_2n2m 1 13 1 2 . . . . . . . . . 27 . HN parsed_2n2m 1 14 1 1 . . . . . . . . . 15 . HN parsed_2n2m 1 14 1 2 . . . . . . . . . 24 . HN parsed_2n2m 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 2 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 1 3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 4 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 1 5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 7 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 1 8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 1 12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 14 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 1 stop_ save_ save_MR_file_comment_7 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 7 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 2 and beta 3 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_8 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 8 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 2 2 1 . . . parsed_2n2m 2 3 1 . . . parsed_2n2m 2 4 1 . . . parsed_2n2m 2 5 1 . . . parsed_2n2m 2 6 1 . . . parsed_2n2m 2 7 1 . . . parsed_2n2m 2 8 1 . . . parsed_2n2m 2 9 1 . . . parsed_2n2m 2 10 1 . . . parsed_2n2m 2 11 1 . . . parsed_2n2m 2 12 1 . . . parsed_2n2m 2 13 1 . . . parsed_2n2m 2 14 1 . . . parsed_2n2m 2 15 1 . . . parsed_2n2m 2 16 1 . . . parsed_2n2m 2 17 1 . . . parsed_2n2m 2 18 1 . . . parsed_2n2m 2 19 1 . . . parsed_2n2m 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 27 . HN parsed_2n2m 2 1 1 2 . . . . . . . . . 51 . HN parsed_2n2m 2 2 1 1 . . . . . . . . . 28 . HN parsed_2n2m 2 2 1 2 . . . . . . . . . 51 . HN parsed_2n2m 2 3 1 1 . . . . . . . . . 29 . HN parsed_2n2m 2 3 1 2 . . . . . . . . . 49 . HN parsed_2n2m 2 4 1 1 . . . . . . . . . 30 . HN parsed_2n2m 2 4 1 2 . . . . . . . . . 49 . HN parsed_2n2m 2 5 1 1 . . . . . . . . . 31 . HN parsed_2n2m 2 5 1 2 . . . . . . . . . 49 . HN parsed_2n2m 2 6 1 1 . . . . . . . . . 31 . HN parsed_2n2m 2 6 1 2 . . . . . . . . . 48 . HN parsed_2n2m 2 7 1 1 . . . . . . . . . 31 . HN parsed_2n2m 2 7 1 2 . . . . . . . . . 47 . HN parsed_2n2m 2 8 1 1 . . . . . . . . . 32 . HN parsed_2n2m 2 8 1 2 . . . . . . . . . 47 . HN parsed_2n2m 2 9 1 1 . . . . . . . . . 33 . HN parsed_2n2m 2 9 1 2 . . . . . . . . . 47 . HN parsed_2n2m 2 10 1 1 . . . . . . . . . 33 . HN parsed_2n2m 2 10 1 2 . . . . . . . . . 46 . HN parsed_2n2m 2 11 1 1 . . . . . . . . . 33 . HN parsed_2n2m 2 11 1 2 . . . . . . . . . 45 . HN parsed_2n2m 2 12 1 1 . . . . . . . . . 34 . HN parsed_2n2m 2 12 1 2 . . . . . . . . . 45 . HN parsed_2n2m 2 13 1 1 . . . . . . . . . 35 . HN parsed_2n2m 2 13 1 2 . . . . . . . . . 45 . HN parsed_2n2m 2 14 1 1 . . . . . . . . . 35 . HN parsed_2n2m 2 14 1 2 . . . . . . . . . 44 . HN parsed_2n2m 2 15 1 1 . . . . . . . . . 35 . HN parsed_2n2m 2 15 1 2 . . . . . . . . . 43 . HN parsed_2n2m 2 16 1 1 . . . . . . . . . 29 . HD* parsed_2n2m 2 16 1 2 . . . . . . . . . 49 . HN parsed_2n2m 2 17 1 1 . . . . . . . . . 31 . HN parsed_2n2m 2 17 1 2 . . . . . . . . . 47 . HD* parsed_2n2m 2 18 1 1 . . . . . . . . . 33 . HD* parsed_2n2m 2 18 1 2 . . . . . . . . . 45 . HN parsed_2n2m 2 19 1 1 . . . . . . . . . 35 . HD* parsed_2n2m 2 19 1 2 . . . . . . . . . 43 . HN parsed_2n2m 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 2 2 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 3 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 2 4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 7 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 2 8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 2 12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 14 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 15 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 2 16 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 17 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 18 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 19 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 2 stop_ save_ save_MR_file_comment_9 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 5 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 9 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 3 and beta 4 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_10 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 10 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 3 2 1 . . . parsed_2n2m 3 3 1 . . . parsed_2n2m 3 4 1 . . . parsed_2n2m 3 5 1 . . . parsed_2n2m 3 6 1 . . . parsed_2n2m 3 7 1 . . . parsed_2n2m 3 8 1 . . . parsed_2n2m 3 9 1 . . . parsed_2n2m 3 10 1 . . . parsed_2n2m 3 11 1 . . . parsed_2n2m 3 12 1 . . . parsed_2n2m 3 13 1 . . . parsed_2n2m 3 14 1 . . . parsed_2n2m 3 15 1 . . . parsed_2n2m 3 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 41 . HN parsed_2n2m 3 1 1 2 . . . . . . . . . 80 . HN parsed_2n2m 3 2 1 1 . . . . . . . . . 42 . HN parsed_2n2m 3 2 1 2 . . . . . . . . . 78 . HN parsed_2n2m 3 3 1 1 . . . . . . . . . 43 . HN parsed_2n2m 3 3 1 2 . . . . . . . . . 78 . HN parsed_2n2m 3 4 1 1 . . . . . . . . . 44 . HN parsed_2n2m 3 4 1 2 . . . . . . . . . 78 . HN parsed_2n2m 3 5 1 1 . . . . . . . . . 44 . HN parsed_2n2m 3 5 1 2 . . . . . . . . . 76 . HN parsed_2n2m 3 6 1 1 . . . . . . . . . 45 . HN parsed_2n2m 3 6 1 2 . . . . . . . . . 76 . HN parsed_2n2m 3 7 1 1 . . . . . . . . . 46 . HN parsed_2n2m 3 7 1 2 . . . . . . . . . 76 . HN parsed_2n2m 3 8 1 1 . . . . . . . . . 46 . HN parsed_2n2m 3 8 1 2 . . . . . . . . . 74 . HN parsed_2n2m 3 9 1 1 . . . . . . . . . 48 . HN parsed_2n2m 3 9 1 2 . . . . . . . . . 74 . HN parsed_2n2m 3 10 1 1 . . . . . . . . . 48 . HN parsed_2n2m 3 10 1 2 . . . . . . . . . 73 . HN parsed_2n2m 3 11 1 1 . . . . . . . . . 48 . HN parsed_2n2m 3 11 1 2 . . . . . . . . . 72 . HN parsed_2n2m 3 12 1 1 . . . . . . . . . 50 . HN parsed_2n2m 3 12 1 2 . . . . . . . . . 70 . HN parsed_2n2m 3 13 1 1 . . . . . . . . . 51 . HN parsed_2n2m 3 13 1 2 . . . . . . . . . 70 . HN parsed_2n2m 3 14 1 1 . . . . . . . . . 52 . HN parsed_2n2m 3 14 1 2 . . . . . . . . . 68 . HN parsed_2n2m 3 15 1 1 . . . . . . . . . 50 . HN parsed_2n2m 3 15 1 2 . . . . . . . . . 70 . HD* parsed_2n2m 3 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3 2 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3 3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3 4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3 5 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3 6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3 7 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3 8 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3 9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3 10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3 11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3 12 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3 13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3 14 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 3 15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 3 stop_ save_ save_MR_file_comment_11 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 6 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 11 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 4 and beta 5 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_12 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 4 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 12 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 4 2 1 . . . parsed_2n2m 4 3 1 . . . parsed_2n2m 4 4 1 . . . parsed_2n2m 4 5 1 . . . parsed_2n2m 4 6 1 . . . parsed_2n2m 4 7 1 . . . parsed_2n2m 4 8 1 . . . parsed_2n2m 4 9 1 . . . parsed_2n2m 4 10 1 . . . parsed_2n2m 4 11 1 . . . parsed_2n2m 4 12 1 . . . parsed_2n2m 4 13 1 . . . parsed_2n2m 4 14 1 . . . parsed_2n2m 4 15 1 . . . parsed_2n2m 4 16 1 . . . parsed_2n2m 4 17 1 . . . parsed_2n2m 4 18 1 . . . parsed_2n2m 4 19 1 . . . parsed_2n2m 4 20 1 . . . parsed_2n2m 4 21 1 . . . parsed_2n2m 4 22 1 . . . parsed_2n2m 4 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 69 . HN parsed_2n2m 4 1 1 2 . . . . . . . . . 97 . HN parsed_2n2m 4 2 1 1 . . . . . . . . . 70 . HN parsed_2n2m 4 2 1 2 . . . . . . . . . 97 . HN parsed_2n2m 4 3 1 1 . . . . . . . . . 71 . HN parsed_2n2m 4 3 1 2 . . . . . . . . . 97 . HN parsed_2n2m 4 4 1 1 . . . . . . . . . 71 . HN parsed_2n2m 4 4 1 2 . . . . . . . . . 95 . HN parsed_2n2m 4 5 1 1 . . . . . . . . . 72 . HN parsed_2n2m 4 5 1 2 . . . . . . . . . 95 . HN parsed_2n2m 4 6 1 1 . . . . . . . . . 73 . HN parsed_2n2m 4 6 1 2 . . . . . . . . . 94 . HN parsed_2n2m 4 7 1 1 . . . . . . . . . 73 . HN parsed_2n2m 4 7 1 2 . . . . . . . . . 93 . HN parsed_2n2m 4 8 1 1 . . . . . . . . . 74 . HN parsed_2n2m 4 8 1 2 . . . . . . . . . 93 . HN parsed_2n2m 4 9 1 1 . . . . . . . . . 75 . HN parsed_2n2m 4 9 1 2 . . . . . . . . . 93 . HN parsed_2n2m 4 10 1 1 . . . . . . . . . 75 . HN parsed_2n2m 4 10 1 2 . . . . . . . . . 92 . HN parsed_2n2m 4 11 1 1 . . . . . . . . . 75 . HN parsed_2n2m 4 11 1 2 . . . . . . . . . 91 . HN parsed_2n2m 4 12 1 1 . . . . . . . . . 76 . HN parsed_2n2m 4 12 1 2 . . . . . . . . . 91 . HN parsed_2n2m 4 13 1 1 . . . . . . . . . 78 . HN parsed_2n2m 4 13 1 2 . . . . . . . . . 89 . HN parsed_2n2m 4 14 1 1 . . . . . . . . . 79 . HN parsed_2n2m 4 14 1 2 . . . . . . . . . 89 . HN parsed_2n2m 4 15 1 1 . . . . . . . . . 79 . HN parsed_2n2m 4 15 1 2 . . . . . . . . . 88 . HN parsed_2n2m 4 16 1 1 . . . . . . . . . 79 . HN parsed_2n2m 4 16 1 2 . . . . . . . . . 87 . HN parsed_2n2m 4 17 1 1 . . . . . . . . . 80 . HN parsed_2n2m 4 17 1 2 . . . . . . . . . 87 . HN parsed_2n2m 4 18 1 1 . . . . . . . . . 81 . HN parsed_2n2m 4 18 1 2 . . . . . . . . . 87 . HN parsed_2n2m 4 19 1 1 . . . . . . . . . 81 . HN parsed_2n2m 4 19 1 2 . . . . . . . . . 85 . HN parsed_2n2m 4 20 1 1 . . . . . . . . . 82 . HN parsed_2n2m 4 20 1 2 . . . . . . . . . 85 . HN parsed_2n2m 4 21 1 1 . . . . . . . . . 71 . HD* parsed_2n2m 4 21 1 2 . . . . . . . . . 95 . HN parsed_2n2m 4 22 1 1 . . . . . . . . . 79 . HD* parsed_2n2m 4 22 1 2 . . . . . . . . . 87 . HN parsed_2n2m 4 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4 2 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 4 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4 5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 7 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4 8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4 12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 14 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 16 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4 17 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 18 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 19 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 4 20 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 21 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 22 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 4 stop_ save_ save_MR_file_comment_13 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 7 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 13 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 5 and beta 6 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_14 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 5 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 14 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 5 2 1 . . . parsed_2n2m 5 3 1 . . . parsed_2n2m 5 4 1 . . . parsed_2n2m 5 5 1 . . . parsed_2n2m 5 6 1 . . . parsed_2n2m 5 7 1 . . . parsed_2n2m 5 8 1 . . . parsed_2n2m 5 9 1 . . . parsed_2n2m 5 10 1 . . . parsed_2n2m 5 11 1 . . . parsed_2n2m 5 12 1 . . . parsed_2n2m 5 13 1 . . . parsed_2n2m 5 14 1 . . . parsed_2n2m 5 15 1 . . . parsed_2n2m 5 16 1 . . . parsed_2n2m 5 17 1 . . . parsed_2n2m 5 18 1 . . . parsed_2n2m 5 19 1 . . . parsed_2n2m 5 20 1 . . . parsed_2n2m 5 21 1 . . . parsed_2n2m 5 22 1 . . . parsed_2n2m 5 23 1 . . . parsed_2n2m 5 24 1 . . . parsed_2n2m 5 25 1 . . . parsed_2n2m 5 26 1 . . . parsed_2n2m 5 27 1 . . . parsed_2n2m 5 28 1 . . . parsed_2n2m 5 29 1 . . . parsed_2n2m 5 30 1 . . . parsed_2n2m 5 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 85 . HN parsed_2n2m 5 1 1 2 . . . . . . . . . 124 . HN parsed_2n2m 5 2 1 1 . . . . . . . . . 86 . HN parsed_2n2m 5 2 1 2 . . . . . . . . . 122 . HN parsed_2n2m 5 3 1 1 . . . . . . . . . 87 . HN parsed_2n2m 5 3 1 2 . . . . . . . . . 122 . HN parsed_2n2m 5 4 1 1 . . . . . . . . . 88 . HN parsed_2n2m 5 4 1 2 . . . . . . . . . 122 . HN parsed_2n2m 5 5 1 1 . . . . . . . . . 88 . HN parsed_2n2m 5 5 1 2 . . . . . . . . . 121 . HN parsed_2n2m 5 6 1 1 . . . . . . . . . 88 . HN parsed_2n2m 5 6 1 2 . . . . . . . . . 120 . HN parsed_2n2m 5 7 1 1 . . . . . . . . . 89 . HN parsed_2n2m 5 7 1 2 . . . . . . . . . 120 . HN parsed_2n2m 5 8 1 1 . . . . . . . . . 90 . HN parsed_2n2m 5 8 1 2 . . . . . . . . . 120 . HN parsed_2n2m 5 9 1 1 . . . . . . . . . 90 . HN parsed_2n2m 5 9 1 2 . . . . . . . . . 119 . HN parsed_2n2m 5 10 1 1 . . . . . . . . . 90 . HN parsed_2n2m 5 10 1 2 . . . . . . . . . 118 . HN parsed_2n2m 5 11 1 1 . . . . . . . . . 91 . HN parsed_2n2m 5 11 1 2 . . . . . . . . . 118 . HN parsed_2n2m 5 12 1 1 . . . . . . . . . 92 . HN parsed_2n2m 5 12 1 2 . . . . . . . . . 118 . HN parsed_2n2m 5 13 1 1 . . . . . . . . . 92 . HN parsed_2n2m 5 13 1 2 . . . . . . . . . 117 . HN parsed_2n2m 5 14 1 1 . . . . . . . . . 92 . HN parsed_2n2m 5 14 1 2 . . . . . . . . . 116 . HN parsed_2n2m 5 15 1 1 . . . . . . . . . 93 . HN parsed_2n2m 5 15 1 2 . . . . . . . . . 116 . HN parsed_2n2m 5 16 1 1 . . . . . . . . . 94 . HN parsed_2n2m 5 16 1 2 . . . . . . . . . 116 . HN parsed_2n2m 5 17 1 1 . . . . . . . . . 94 . HN parsed_2n2m 5 17 1 2 . . . . . . . . . 115 . HN parsed_2n2m 5 18 1 1 . . . . . . . . . 94 . HN parsed_2n2m 5 18 1 2 . . . . . . . . . 114 . HN parsed_2n2m 5 19 1 1 . . . . . . . . . 95 . HN parsed_2n2m 5 19 1 2 . . . . . . . . . 114 . HN parsed_2n2m 5 20 1 1 . . . . . . . . . 96 . HN parsed_2n2m 5 20 1 2 . . . . . . . . . 113 . HN parsed_2n2m 5 21 1 1 . . . . . . . . . 96 . HN parsed_2n2m 5 21 1 2 . . . . . . . . . 112 . HN parsed_2n2m 5 22 1 1 . . . . . . . . . 97 . HN parsed_2n2m 5 22 1 2 . . . . . . . . . 112 . HN parsed_2n2m 5 23 1 1 . . . . . . . . . 98 . HN parsed_2n2m 5 23 1 2 . . . . . . . . . 110 . HN parsed_2n2m 5 24 1 1 . . . . . . . . . 99 . HN parsed_2n2m 5 24 1 2 . . . . . . . . . 110 . HN parsed_2n2m 5 25 1 1 . . . . . . . . . 100 . HN parsed_2n2m 5 25 1 2 . . . . . . . . . 110 . HN parsed_2n2m 5 26 1 1 . . . . . . . . . 100 . HN parsed_2n2m 5 26 1 2 . . . . . . . . . 109 . HN parsed_2n2m 5 27 1 1 . . . . . . . . . 100 . HN parsed_2n2m 5 27 1 2 . . . . . . . . . 108 . HN parsed_2n2m 5 28 1 1 . . . . . . . . . 88 . HD* parsed_2n2m 5 28 1 2 . . . . . . . . . 120 . HN parsed_2n2m 5 29 1 1 . . . . . . . . . 100 . HD* parsed_2n2m 5 29 1 2 . . . . . . . . . 108 . HN parsed_2n2m 5 30 1 1 . . . . . . . . . 104 . HD* parsed_2n2m 5 30 1 2 . . . . . . . . . 106 . HN parsed_2n2m 5 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 2 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5 3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 6 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5 7 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 10 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5 11 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 14 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5 15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 16 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 17 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 18 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5 19 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 20 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 21 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5 22 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 23 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 5 24 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 25 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 26 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 27 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 28 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 29 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 30 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 5 stop_ save_ save_MR_file_comment_15 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 8 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 15 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 6 and beta 7 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_16 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 6 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 16 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 6 2 1 . . . parsed_2n2m 6 3 1 . . . parsed_2n2m 6 4 1 . . . parsed_2n2m 6 5 1 . . . parsed_2n2m 6 6 1 . . . parsed_2n2m 6 7 1 . . . parsed_2n2m 6 8 1 . . . parsed_2n2m 6 9 1 . . . parsed_2n2m 6 10 1 . . . parsed_2n2m 6 11 1 . . . parsed_2n2m 6 12 1 . . . parsed_2n2m 6 13 1 . . . parsed_2n2m 6 14 1 . . . parsed_2n2m 6 15 1 . . . parsed_2n2m 6 16 1 . . . parsed_2n2m 6 17 1 . . . parsed_2n2m 6 18 1 . . . parsed_2n2m 6 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 115 . HN parsed_2n2m 6 1 1 2 . . . . . . . . . 139 . HN parsed_2n2m 6 2 1 1 . . . . . . . . . 117 . HN parsed_2n2m 6 2 1 2 . . . . . . . . . 138 . HN parsed_2n2m 6 3 1 1 . . . . . . . . . 117 . HN parsed_2n2m 6 3 1 2 . . . . . . . . . 137 . HN parsed_2n2m 6 4 1 1 . . . . . . . . . 120 . HN parsed_2n2m 6 4 1 2 . . . . . . . . . 135 . HN parsed_2n2m 6 5 1 1 . . . . . . . . . 121 . HN parsed_2n2m 6 5 1 2 . . . . . . . . . 135 . HN parsed_2n2m 6 6 1 1 . . . . . . . . . 121 . HN parsed_2n2m 6 6 1 2 . . . . . . . . . 134 . HN parsed_2n2m 6 7 1 1 . . . . . . . . . 121 . HN parsed_2n2m 6 7 1 2 . . . . . . . . . 133 . HN parsed_2n2m 6 8 1 1 . . . . . . . . . 122 . HN parsed_2n2m 6 8 1 2 . . . . . . . . . 133 . HN parsed_2n2m 6 9 1 1 . . . . . . . . . 123 . HN parsed_2n2m 6 9 1 2 . . . . . . . . . 133 . HN parsed_2n2m 6 10 1 1 . . . . . . . . . 123 . HN parsed_2n2m 6 10 1 2 . . . . . . . . . 132 . HN parsed_2n2m 6 11 1 1 . . . . . . . . . 123 . HN parsed_2n2m 6 11 1 2 . . . . . . . . . 131 . HN parsed_2n2m 6 12 1 1 . . . . . . . . . 124 . HN parsed_2n2m 6 12 1 2 . . . . . . . . . 131 . HN parsed_2n2m 6 13 1 1 . . . . . . . . . 126 . HN parsed_2n2m 6 13 1 2 . . . . . . . . . 129 . HN parsed_2n2m 6 14 1 1 . . . . . . . . . 117 . HD* parsed_2n2m 6 14 1 2 . . . . . . . . . 137 . HN parsed_2n2m 6 15 1 1 . . . . . . . . . 119 . HN parsed_2n2m 6 15 1 2 . . . . . . . . . 135 . HD* parsed_2n2m 6 16 1 1 . . . . . . . . . 123 . HD* parsed_2n2m 6 16 1 2 . . . . . . . . . 131 . HN parsed_2n2m 6 17 1 1 . . . . . . . . . 126 . HN parsed_2n2m 6 17 1 2 . . . . . . . . . 129 . HD* parsed_2n2m 6 18 1 1 . . . . . . . . . 129 . HN parsed_2n2m 6 18 1 2 . . . . . . . . . 126 . HD* parsed_2n2m 6 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 6 2 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 3 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 6 4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 7 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 6 8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 11 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 6 12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 14 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 16 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 17 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 18 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 6 stop_ save_ save_MR_file_comment_17 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 9 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 17 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 7 and beta 8 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_18 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 7 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 18 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 7 2 1 . . . parsed_2n2m 7 3 1 . . . parsed_2n2m 7 4 1 . . . parsed_2n2m 7 5 1 . . . parsed_2n2m 7 6 1 . . . parsed_2n2m 7 7 1 . . . parsed_2n2m 7 8 1 . . . parsed_2n2m 7 9 1 . . . parsed_2n2m 7 10 1 . . . parsed_2n2m 7 11 1 . . . parsed_2n2m 7 12 1 . . . parsed_2n2m 7 13 1 . . . parsed_2n2m 7 14 1 . . . parsed_2n2m 7 15 1 . . . parsed_2n2m 7 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 129 . HN parsed_2n2m 7 1 1 2 . . . . . . . . . 155 . HN parsed_2n2m 7 2 1 1 . . . . . . . . . 130 . HN parsed_2n2m 7 2 1 2 . . . . . . . . . 155 . HN parsed_2n2m 7 3 1 1 . . . . . . . . . 130 . HN parsed_2n2m 7 3 1 2 . . . . . . . . . 154 . HN parsed_2n2m 7 4 1 1 . . . . . . . . . 130 . HN parsed_2n2m 7 4 1 2 . . . . . . . . . 153 . HN parsed_2n2m 7 5 1 1 . . . . . . . . . 131 . HN parsed_2n2m 7 5 1 2 . . . . . . . . . 153 . HN parsed_2n2m 7 6 1 1 . . . . . . . . . 132 . HN parsed_2n2m 7 6 1 2 . . . . . . . . . 153 . HN parsed_2n2m 7 7 1 1 . . . . . . . . . 132 . HN parsed_2n2m 7 7 1 2 . . . . . . . . . 152 . HN parsed_2n2m 7 8 1 1 . . . . . . . . . 132 . HN parsed_2n2m 7 8 1 2 . . . . . . . . . 151 . HN parsed_2n2m 7 9 1 1 . . . . . . . . . 134 . HN parsed_2n2m 7 9 1 2 . . . . . . . . . 150 . HN parsed_2n2m 7 10 1 1 . . . . . . . . . 134 . HN parsed_2n2m 7 10 1 2 . . . . . . . . . 149 . HN parsed_2n2m 7 11 1 1 . . . . . . . . . 135 . HN parsed_2n2m 7 11 1 2 . . . . . . . . . 149 . HN parsed_2n2m 7 12 1 1 . . . . . . . . . 136 . HN parsed_2n2m 7 12 1 2 . . . . . . . . . 147 . HN parsed_2n2m 7 13 1 1 . . . . . . . . . 137 . HN parsed_2n2m 7 13 1 2 . . . . . . . . . 147 . HN parsed_2n2m 7 14 1 1 . . . . . . . . . 138 . HN parsed_2n2m 7 14 1 2 . . . . . . . . . 145 . HN parsed_2n2m 7 15 1 1 . . . . . . . . . 140 . HN parsed_2n2m 7 15 1 2 . . . . . . . . . 143 . HN parsed_2n2m 7 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 2 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 4 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7 5 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 6 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 7 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 8 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7 9 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 10 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7 11 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 12 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7 13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 14 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 7 15 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 7 stop_ save_ save_MR_file_comment_19 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 10 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 19 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 8 and beta 1 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_20 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 8 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 20 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 8 2 1 . . . parsed_2n2m 8 3 1 . . . parsed_2n2m 8 4 1 . . . parsed_2n2m 8 5 1 . . . parsed_2n2m 8 6 1 . . . parsed_2n2m 8 7 1 . . . parsed_2n2m 8 8 1 . . . parsed_2n2m 8 9 1 . . . parsed_2n2m 8 10 1 . . . parsed_2n2m 8 11 1 . . . parsed_2n2m 8 12 1 . . . parsed_2n2m 8 13 1 . . . parsed_2n2m 8 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 144 . HN parsed_2n2m 8 1 1 2 . . . . . . . . . 16 . HN parsed_2n2m 8 2 1 1 . . . . . . . . . 146 . HN parsed_2n2m 8 2 1 2 . . . . . . . . . 14 . HN parsed_2n2m 8 3 1 1 . . . . . . . . . 147 . HN parsed_2n2m 8 3 1 2 . . . . . . . . . 14 . HN parsed_2n2m 8 4 1 1 . . . . . . . . . 148 . HN parsed_2n2m 8 4 1 2 . . . . . . . . . 13 . HN parsed_2n2m 8 5 1 1 . . . . . . . . . 148 . HN parsed_2n2m 8 5 1 2 . . . . . . . . . 12 . HN parsed_2n2m 8 6 1 1 . . . . . . . . . 150 . HN parsed_2n2m 8 6 1 2 . . . . . . . . . 10 . HN parsed_2n2m 8 7 1 1 . . . . . . . . . 151 . HN parsed_2n2m 8 7 1 2 . . . . . . . . . 10 . HN parsed_2n2m 8 8 1 1 . . . . . . . . . 152 . HN parsed_2n2m 8 8 1 2 . . . . . . . . . 9 . HN parsed_2n2m 8 9 1 1 . . . . . . . . . 154 . HN parsed_2n2m 8 9 1 2 . . . . . . . . . 6 . HN parsed_2n2m 8 10 1 1 . . . . . . . . . 156 . HN parsed_2n2m 8 10 1 2 . . . . . . . . . 5 . HN parsed_2n2m 8 11 1 1 . . . . . . . . . 148 . HE* parsed_2n2m 8 11 1 2 . . . . . . . . . 12 . HN parsed_2n2m 8 12 1 1 . . . . . . . . . 150 . HN parsed_2n2m 8 12 1 2 . . . . . . . . . 10 . HD* parsed_2n2m 8 13 1 1 . . . . . . . . . 154 . HD* parsed_2n2m 8 13 1 2 . . . . . . . . . 6 . HN parsed_2n2m 8 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 8 2 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 8 3 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8 4 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8 5 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 8 6 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 8 7 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8 8 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8 9 1 . . . . . 2.5 1.8 3.6 parsed_2n2m 8 10 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8 11 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8 12 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8 13 1 . . . . . 4.0 1.8 5.8 parsed_2n2m 8 stop_ save_ save_MR_file_comment_21 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 11 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 21 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; !! Amide HN-O hydrogen bonds for Y. pestis Ail !! H-BONDs were inferred from amide HN-HN NOEs and the h/D exchange data. !! numbers specify: HBON, loHBON (HBON-1.5A), hiHBON ! beta 1 and beta 2 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_22 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 9 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 22 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 9 2 1 . . . parsed_2n2m 9 3 1 . . . parsed_2n2m 9 4 1 . . . parsed_2n2m 9 5 1 . . . parsed_2n2m 9 6 1 . . . parsed_2n2m 9 7 1 . . . parsed_2n2m 9 8 1 . . . parsed_2n2m 9 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 5 . HN parsed_2n2m 9 1 1 2 . . . . . . . . . 34 . O parsed_2n2m 9 2 1 1 . . . . . . . . . 34 . HN parsed_2n2m 9 2 1 2 . . . . . . . . . 5 . O parsed_2n2m 9 3 1 1 . . . . . . . . . 7 . HN parsed_2n2m 9 3 1 2 . . . . . . . . . 32 . O parsed_2n2m 9 4 1 1 . . . . . . . . . 32 . HN parsed_2n2m 9 4 1 2 . . . . . . . . . 7 . O parsed_2n2m 9 5 1 1 . . . . . . . . . 9 . HN parsed_2n2m 9 5 1 2 . . . . . . . . . 30 . O parsed_2n2m 9 6 1 1 . . . . . . . . . 30 . HN parsed_2n2m 9 6 1 2 . . . . . . . . . 9 . O parsed_2n2m 9 7 1 1 . . . . . . . . . 11 . HN parsed_2n2m 9 7 1 2 . . . . . . . . . 28 . O parsed_2n2m 9 8 1 1 . . . . . . . . . 15 . HN parsed_2n2m 9 8 1 2 . . . . . . . . . 24 . O parsed_2n2m 9 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9 2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9 3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9 4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9 5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9 6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9 7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9 8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 9 stop_ save_ save_MR_file_comment_23 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 12 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 23 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 2 and beta 3 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_24 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 10 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 24 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 10 2 1 . . . parsed_2n2m 10 3 1 . . . parsed_2n2m 10 4 1 . . . parsed_2n2m 10 5 1 . . . parsed_2n2m 10 6 1 . . . parsed_2n2m 10 7 1 . . . parsed_2n2m 10 8 1 . . . parsed_2n2m 10 9 1 . . . parsed_2n2m 10 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 51 . HN parsed_2n2m 10 1 1 2 . . . . . . . . . 27 . O parsed_2n2m 10 2 1 1 . . . . . . . . . 29 . HN parsed_2n2m 10 2 1 2 . . . . . . . . . 49 . O parsed_2n2m 10 3 1 1 . . . . . . . . . 49 . HN parsed_2n2m 10 3 1 2 . . . . . . . . . 29 . O parsed_2n2m 10 4 1 1 . . . . . . . . . 31 . HN parsed_2n2m 10 4 1 2 . . . . . . . . . 47 . O parsed_2n2m 10 5 1 1 . . . . . . . . . 47 . HN parsed_2n2m 10 5 1 2 . . . . . . . . . 31 . O parsed_2n2m 10 6 1 1 . . . . . . . . . 33 . HN parsed_2n2m 10 6 1 2 . . . . . . . . . 45 . O parsed_2n2m 10 7 1 1 . . . . . . . . . 45 . HN parsed_2n2m 10 7 1 2 . . . . . . . . . 33 . O parsed_2n2m 10 8 1 1 . . . . . . . . . 35 . HN parsed_2n2m 10 8 1 2 . . . . . . . . . 43 . O parsed_2n2m 10 9 1 1 . . . . . . . . . 43 . HN parsed_2n2m 10 9 1 2 . . . . . . . . . 35 . O parsed_2n2m 10 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10 2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10 3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10 4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10 5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10 6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10 7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10 8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10 9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 10 stop_ save_ save_MR_file_comment_25 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 13 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 25 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 3 and beta 4 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_26 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 11 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 26 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 11 2 1 . . . parsed_2n2m 11 3 1 . . . parsed_2n2m 11 4 1 . . . parsed_2n2m 11 5 1 . . . parsed_2n2m 11 6 1 . . . parsed_2n2m 11 7 1 . . . parsed_2n2m 11 8 1 . . . parsed_2n2m 11 9 1 . . . parsed_2n2m 11 10 1 . . . parsed_2n2m 11 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 42 . HN parsed_2n2m 11 1 1 2 . . . . . . . . . 78 . O parsed_2n2m 11 2 1 1 . . . . . . . . . 78 . HN parsed_2n2m 11 2 1 2 . . . . . . . . . 42 . O parsed_2n2m 11 3 1 1 . . . . . . . . . 44 . HN parsed_2n2m 11 3 1 2 . . . . . . . . . 76 . O parsed_2n2m 11 4 1 1 . . . . . . . . . 76 . HN parsed_2n2m 11 4 1 2 . . . . . . . . . 44 . O parsed_2n2m 11 5 1 1 . . . . . . . . . 46 . HN parsed_2n2m 11 5 1 2 . . . . . . . . . 74 . O parsed_2n2m 11 6 1 1 . . . . . . . . . 74 . HN parsed_2n2m 11 6 1 2 . . . . . . . . . 46 . O parsed_2n2m 11 7 1 1 . . . . . . . . . 48 . HN parsed_2n2m 11 7 1 2 . . . . . . . . . 72 . O parsed_2n2m 11 8 1 1 . . . . . . . . . 72 . HN parsed_2n2m 11 8 1 2 . . . . . . . . . 48 . O parsed_2n2m 11 9 1 1 . . . . . . . . . 50 . HN parsed_2n2m 11 9 1 2 . . . . . . . . . 70 . O parsed_2n2m 11 10 1 1 . . . . . . . . . 70 . HN parsed_2n2m 11 10 1 2 . . . . . . . . . 50 . O parsed_2n2m 11 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 10 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 11 stop_ save_ save_MR_file_comment_27 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 14 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 27 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 4 and beta 5 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_28 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 12 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 28 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 12 2 1 . . . parsed_2n2m 12 3 1 . . . parsed_2n2m 12 4 1 . . . parsed_2n2m 12 5 1 . . . parsed_2n2m 12 6 1 . . . parsed_2n2m 12 7 1 . . . parsed_2n2m 12 8 1 . . . parsed_2n2m 12 9 1 . . . parsed_2n2m 12 10 1 . . . parsed_2n2m 12 11 1 . . . parsed_2n2m 12 12 1 . . . parsed_2n2m 12 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 69 . HN parsed_2n2m 12 1 1 2 . . . . . . . . . 97 . O parsed_2n2m 12 2 1 1 . . . . . . . . . 97 . HN parsed_2n2m 12 2 1 2 . . . . . . . . . 69 . O parsed_2n2m 12 3 1 1 . . . . . . . . . 71 . HN parsed_2n2m 12 3 1 2 . . . . . . . . . 95 . O parsed_2n2m 12 4 1 1 . . . . . . . . . 95 . HN parsed_2n2m 12 4 1 2 . . . . . . . . . 71 . O parsed_2n2m 12 5 1 1 . . . . . . . . . 73 . HN parsed_2n2m 12 5 1 2 . . . . . . . . . 93 . O parsed_2n2m 12 6 1 1 . . . . . . . . . 93 . HN parsed_2n2m 12 6 1 2 . . . . . . . . . 73 . O parsed_2n2m 12 7 1 1 . . . . . . . . . 75 . HN parsed_2n2m 12 7 1 2 . . . . . . . . . 91 . O parsed_2n2m 12 8 1 1 . . . . . . . . . 91 . HN parsed_2n2m 12 8 1 2 . . . . . . . . . 75 . O parsed_2n2m 12 9 1 1 . . . . . . . . . 79 . HN parsed_2n2m 12 9 1 2 . . . . . . . . . 87 . O parsed_2n2m 12 10 1 1 . . . . . . . . . 87 . HN parsed_2n2m 12 10 1 2 . . . . . . . . . 79 . O parsed_2n2m 12 11 1 1 . . . . . . . . . 81 . HN parsed_2n2m 12 11 1 2 . . . . . . . . . 85 . O parsed_2n2m 12 12 1 1 . . . . . . . . . 82 . HN parsed_2n2m 12 12 1 2 . . . . . . . . . 85 . O parsed_2n2m 12 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 10 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 11 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 12 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 12 stop_ save_ save_MR_file_comment_29 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 15 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 29 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 5 and beta 6 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_30 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 13 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 30 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 13 2 1 . . . parsed_2n2m 13 3 1 . . . parsed_2n2m 13 4 1 . . . parsed_2n2m 13 5 1 . . . parsed_2n2m 13 6 1 . . . parsed_2n2m 13 7 1 . . . parsed_2n2m 13 8 1 . . . parsed_2n2m 13 9 1 . . . parsed_2n2m 13 10 1 . . . parsed_2n2m 13 11 1 . . . parsed_2n2m 13 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 86 . HN parsed_2n2m 13 1 1 2 . . . . . . . . . 122 . O parsed_2n2m 13 2 1 1 . . . . . . . . . 122 . HN parsed_2n2m 13 2 1 2 . . . . . . . . . 86 . O parsed_2n2m 13 3 1 1 . . . . . . . . . 88 . HN parsed_2n2m 13 3 1 2 . . . . . . . . . 120 . O parsed_2n2m 13 4 1 1 . . . . . . . . . 120 . HN parsed_2n2m 13 4 1 2 . . . . . . . . . 88 . O parsed_2n2m 13 5 1 1 . . . . . . . . . 90 . HN parsed_2n2m 13 5 1 2 . . . . . . . . . 118 . O parsed_2n2m 13 6 1 1 . . . . . . . . . 118 . HN parsed_2n2m 13 6 1 2 . . . . . . . . . 90 . O parsed_2n2m 13 7 1 1 . . . . . . . . . 92 . HN parsed_2n2m 13 7 1 2 . . . . . . . . . 116 . O parsed_2n2m 13 8 1 1 . . . . . . . . . 116 . HN parsed_2n2m 13 8 1 2 . . . . . . . . . 92 . O parsed_2n2m 13 9 1 1 . . . . . . . . . 94 . HN parsed_2n2m 13 9 1 2 . . . . . . . . . 114 . O parsed_2n2m 13 10 1 1 . . . . . . . . . 112 . HN parsed_2n2m 13 10 1 2 . . . . . . . . . 96 . O parsed_2n2m 13 11 1 1 . . . . . . . . . 110 . HN parsed_2n2m 13 11 1 2 . . . . . . . . . 98 . O parsed_2n2m 13 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 10 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 11 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 13 stop_ save_ save_MR_file_comment_31 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 16 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 31 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 6 and beta 7 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_32 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 14 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 32 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 14 2 1 . . . parsed_2n2m 14 3 1 . . . parsed_2n2m 14 4 1 . . . parsed_2n2m 14 5 1 . . . parsed_2n2m 14 6 1 . . . parsed_2n2m 14 7 1 . . . parsed_2n2m 14 8 1 . . . parsed_2n2m 14 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 117 . HN parsed_2n2m 14 1 1 2 . . . . . . . . . 137 . O parsed_2n2m 14 2 1 1 . . . . . . . . . 137 . HN parsed_2n2m 14 2 1 2 . . . . . . . . . 117 . O parsed_2n2m 14 3 1 1 . . . . . . . . . 119 . HN parsed_2n2m 14 3 1 2 . . . . . . . . . 135 . O parsed_2n2m 14 4 1 1 . . . . . . . . . 135 . HN parsed_2n2m 14 4 1 2 . . . . . . . . . 119 . O parsed_2n2m 14 5 1 1 . . . . . . . . . 121 . HN parsed_2n2m 14 5 1 2 . . . . . . . . . 133 . O parsed_2n2m 14 6 1 1 . . . . . . . . . 133 . HN parsed_2n2m 14 6 1 2 . . . . . . . . . 121 . O parsed_2n2m 14 7 1 1 . . . . . . . . . 123 . HN parsed_2n2m 14 7 1 2 . . . . . . . . . 131 . O parsed_2n2m 14 8 1 1 . . . . . . . . . 131 . HN parsed_2n2m 14 8 1 2 . . . . . . . . . 123 . O parsed_2n2m 14 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14 2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14 3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14 4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14 5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14 6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14 7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14 8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 14 stop_ save_ save_MR_file_comment_33 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 17 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 33 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 7 and beta 8 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_34 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 15 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 34 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 15 2 1 . . . parsed_2n2m 15 3 1 . . . parsed_2n2m 15 4 1 . . . parsed_2n2m 15 5 1 . . . parsed_2n2m 15 6 1 . . . parsed_2n2m 15 7 1 . . . parsed_2n2m 15 8 1 . . . parsed_2n2m 15 9 1 . . . parsed_2n2m 15 10 1 . . . parsed_2n2m 15 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 130 . HN parsed_2n2m 15 1 1 2 . . . . . . . . . 153 . O parsed_2n2m 15 2 1 1 . . . . . . . . . 153 . HN parsed_2n2m 15 2 1 2 . . . . . . . . . 130 . O parsed_2n2m 15 3 1 1 . . . . . . . . . 132 . HN parsed_2n2m 15 3 1 2 . . . . . . . . . 151 . O parsed_2n2m 15 4 1 1 . . . . . . . . . 151 . HN parsed_2n2m 15 4 1 2 . . . . . . . . . 132 . O parsed_2n2m 15 5 1 1 . . . . . . . . . 134 . HN parsed_2n2m 15 5 1 2 . . . . . . . . . 149 . O parsed_2n2m 15 6 1 1 . . . . . . . . . 149 . HN parsed_2n2m 15 6 1 2 . . . . . . . . . 134 . O parsed_2n2m 15 7 1 1 . . . . . . . . . 136 . HN parsed_2n2m 15 7 1 2 . . . . . . . . . 147 . O parsed_2n2m 15 8 1 1 . . . . . . . . . 147 . HN parsed_2n2m 15 8 1 2 . . . . . . . . . 136 . O parsed_2n2m 15 9 1 1 . . . . . . . . . 138 . HN parsed_2n2m 15 9 1 2 . . . . . . . . . 145 . O parsed_2n2m 15 10 1 1 . . . . . . . . . 145 . HN parsed_2n2m 15 10 1 2 . . . . . . . . . 138 . O parsed_2n2m 15 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 10 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 15 stop_ save_ save_MR_file_comment_35 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n2m _Org_constr_file_comment.ID 18 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 35 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! beta 8 and beta 1 !===================================================================== ; save_ save_CNS/XPLOR_distance_constraints_36 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n2m _Distance_constraint_list.ID 16 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 36 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n2m 16 2 1 . . . parsed_2n2m 16 3 1 . . . parsed_2n2m 16 4 1 . . . parsed_2n2m 16 5 1 . . . parsed_2n2m 16 6 1 . . . parsed_2n2m 16 7 1 . . . parsed_2n2m 16 8 1 . . . parsed_2n2m 16 9 1 . . . parsed_2n2m 16 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 146 . HN parsed_2n2m 16 1 1 2 . . . . . . . . . 14 . O parsed_2n2m 16 2 1 1 . . . . . . . . . 148 . HN parsed_2n2m 16 2 1 2 . . . . . . . . . 12 . O parsed_2n2m 16 3 1 1 . . . . . . . . . 12 . HN parsed_2n2m 16 3 1 2 . . . . . . . . . 148 . O parsed_2n2m 16 4 1 1 . . . . . . . . . 150 . HN parsed_2n2m 16 4 1 2 . . . . . . . . . 10 . O parsed_2n2m 16 5 1 1 . . . . . . . . . 10 . HN parsed_2n2m 16 5 1 2 . . . . . . . . . 150 . O parsed_2n2m 16 6 1 1 . . . . . . . . . 152 . HN parsed_2n2m 16 6 1 2 . . . . . . . . . 8 . O parsed_2n2m 16 7 1 1 . . . . . . . . . 8 . HN parsed_2n2m 16 7 1 2 . . . . . . . . . 152 . O parsed_2n2m 16 8 1 1 . . . . . . . . . 154 . HN parsed_2n2m 16 8 1 2 . . . . . . . . . 6 . O parsed_2n2m 16 9 1 1 . . . . . . . . . 156 . HN parsed_2n2m 16 9 1 2 . . . . . . . . . 4 . O parsed_2n2m 16 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16 2 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16 3 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16 4 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16 5 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16 6 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16 7 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16 8 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16 9 1 . . . . . 2.100 1.800 2.400 parsed_2n2m 16 stop_ save_
Contact the webmaster for help, if required. Wednesday, May 22, 2024 12:55:30 PM GMT (wattos1)