data_19867 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of M. tuberculosis CrgA membrane protein in lipid bilayer ; _BMRB_accession_number 19867 _BMRB_flat_file_name bmr19867.str _Entry_type original _Submission_date 2014-03-18 _Accession_date 2014-03-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The structure of CrgA, a transmembrane protein of M. tuberculosis in lipid bilayer' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Das Nabanita . . 2 Dai Jian . . 3 Hung Ivan . . 4 Rajagopalan Malini . . 5 Zhou Huan-Xiang . . 6 Cross Timothy A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 66 "15N chemical shifts" 60 "residual dipolar couplings" 40 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-12-15 original author . stop_ _Original_release_date 2014-12-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Transmembrane structural characterization of CrgA, a cell division regulatory protein from M. tuberculosis in lipid bilayers' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Das Nabanita . . 2 Dai Jian . . 3 Hung Ivan . . 4 Rajagopalan Malini . . 5 Zhou Huan-Xiang . . 6 Cross Timothy . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'M. tuberculosis CrgA membrane protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'M. tuberculosis CrgA membrane protein' $CrgA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CrgA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 5876.252 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; MPKSKVRKKNDFTVSAVSRT PMKVKVGPSSVWFVSLFIGL MLIGLIWLMVFQLAAIGSQA PTALNWMAQLGPWNYAIAFA FMITGLLLTMRWHLEHHHHH H ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 PRO 3 3 LYS 4 4 SER 5 5 LYS 6 6 VAL 7 7 ARG 8 8 LYS 9 9 LYS 10 10 ASN 11 11 ASP 12 12 PHE 13 13 THR 14 14 VAL 15 15 SER 16 16 ALA 17 17 VAL 18 18 SER 19 19 ARG 20 20 THR 21 21 PRO 22 22 MET 23 23 LYS 24 24 VAL 25 25 LYS 26 26 VAL 27 27 GLY 28 28 PRO 29 29 SER 30 30 SER 31 31 VAL 32 32 TRP 33 33 PHE 34 34 VAL 35 35 SER 36 36 LEU 37 37 PHE 38 38 ILE 39 39 GLY 40 40 LEU 41 41 MET 42 42 LEU 43 43 ILE 44 44 GLY 45 45 LEU 46 46 ILE 47 47 TRP 48 48 LEU 49 49 MET 50 50 VAL 51 51 PHE 52 52 GLN 53 53 LEU 54 54 ALA 55 55 ALA 56 56 ILE 57 57 GLY 58 58 SER 59 59 GLN 60 60 ALA 61 61 PRO 62 62 THR 63 63 ALA 64 64 LEU 65 65 ASN 66 66 TRP 67 67 MET 68 68 ALA 69 69 GLN 70 70 LEU 71 71 GLY 72 72 PRO 73 73 TRP 74 74 ASN 75 75 TYR 76 76 ALA 77 77 ILE 78 78 ALA 79 79 PHE 80 80 ALA 81 81 PHE 82 82 MET 83 83 ILE 84 84 THR 85 85 GLY 86 86 LEU 87 87 LEU 88 88 LEU 89 89 THR 90 90 MET 91 91 ARG 92 92 TRP 93 93 HIS 94 94 LEU 95 95 GLU 96 96 HIS 97 97 HIS 98 98 HIS 99 99 HIS 100 100 HIS 101 101 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MMU "Structure Of Crga, A Cell Division Structural And Regulatory Protein From Mycobacterium Tuberculosis, In Lipid Bilayers" 100.00 101 100.00 100.00 1.37e-65 DBJ BAH24313 "probable conserved transmembrane protein [Mycobacterium bovis BCG str. Tokyo 172]" 92.08 93 100.00 100.00 9.95e-59 DBJ BAL63834 "putative septation inhibitor protein [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 92.08 93 100.00 100.00 9.95e-59 DBJ BAQ03841 "putative septation inhibitor protein [Mycobacterium tuberculosis str. Kurono]" 92.08 93 100.00 100.00 9.95e-59 DBJ GAA43817 "putative septation inhibitor protein [Mycobacterium tuberculosis NCGM2209]" 92.08 93 100.00 100.00 9.95e-59 EMBL CAL69995 "Probable conserved transmembrane protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" 92.08 93 100.00 100.00 9.95e-59 EMBL CAL70025 "Probable conserved transmembrane protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" 92.08 93 100.00 100.00 9.95e-59 EMBL CCC25085 "putative conserved transmembrane protein [Mycobacterium africanum GM041182]" 92.08 93 100.00 100.00 9.95e-59 EMBL CCC42351 "putative conserved transmembrane protein [Mycobacterium canettii CIPT 140010059]" 92.08 93 100.00 100.00 9.95e-59 EMBL CCC62604 "probable conserved transmembrane protein [Mycobacterium bovis BCG str. Moreau RDJ]" 92.08 93 100.00 100.00 9.95e-59 GB AAK44236 "hypothetical protein MT0014 [Mycobacterium tuberculosis CDC1551]" 92.08 93 100.00 100.00 9.95e-59 GB ABQ71731 "hypothetical protein MRA_0013 [Mycobacterium tuberculosis H37Ra]" 92.08 93 100.00 100.00 9.95e-59 GB ABR04354 "conserved transmembrane protein [Mycobacterium tuberculosis F11]" 92.08 93 100.00 100.00 9.95e-59 GB ACT23032 "conserved membrane protein [Mycobacterium tuberculosis KZN 1435]" 92.08 93 100.00 100.00 9.95e-59 GB AEB02140 "conserved membrane protein [Mycobacterium tuberculosis KZN 4207]" 92.08 93 100.00 100.00 9.95e-59 REF NP_214525 "cell division protein CrgA [Mycobacterium tuberculosis H37Rv]" 92.08 93 100.00 100.00 9.95e-59 REF NP_853681 "septation inhibitor protein [Mycobacterium bovis AF2122/97]" 92.08 93 100.00 100.00 9.95e-59 REF WP_003400344 "MULTISPECIES: cell division protein CrgA [Mycobacterium]" 92.08 93 100.00 100.00 9.95e-59 REF WP_003905205 "cell division protein CrgA [Mycobacterium tuberculosis]" 92.08 93 98.92 100.00 1.70e-58 REF WP_031726932 "septation inhibitor protein [Mycobacterium tuberculosis]" 92.08 93 98.92 98.92 3.79e-57 SP A5TY81 "RecName: Full=Cell division protein CrgA" 92.08 93 100.00 100.00 9.95e-59 SP C1AJ08 "RecName: Full=Cell division protein CrgA" 92.08 93 100.00 100.00 9.95e-59 SP P67377 "RecName: Full=Cell division protein CrgA" 92.08 93 100.00 100.00 9.95e-59 SP P9WP56 "RecName: Full=Cell division protein CrgA" 92.08 93 100.00 100.00 9.95e-59 SP P9WP57 "RecName: Full=Cell division protein CrgA" 92.08 93 100.00 100.00 9.95e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $CrgA 'Mycobacterium tuberculosis' 83332 Bacteria . Mycobacterium tuberculosis H37Rv crgA 'CrgA encoded by Rv0011c gene in H37Rv strain of Mtb' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $CrgA 'recombinant technology' . Escherichia coli . pET29b 'CrgA protein attached with C-terminal uncleavable 6xHis tag' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type 'oriented membrane film' _Details 'Glass slide supported POPC/POPG (4:1 mol/mol) phospholipid bilayer in liquid crystalline state; 15NH4Cl - 1.0/13C glucose - 2.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CrgA 2.0 g/L '[U-100% 13C; U-100% 15N]' $CrgA 200 mg/L [U-15N]-Leu $CrgA 200 mg/L [U-15N]-Ala $CrgA 200 mg/L [U-15N]-Val $CrgA 200 mg/L [U-15N]-Ile $CrgA 200 mg/L [U-15N]-Trp $CrgA 200 mg/L [U-15N]-Tyr $CrgA 200 mg/L [U-15N]-Met $CrgA 200 mg/L [U-15N]-Phe $CrgA 200 mg/L [U-15N]-Thr $CrgA 200 mg/L [U-15N]-Gly $CrgA 200 mg/L [U-15N]-Ser $CrgA 200 mg/L [U-15N]-Arg $CrgA 200 mg/L [U-15N]-Asn stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type 'magic angle spinning sample' _Details 'proteoliposome sample for MAS solid state NMR experiments; 15NH4Cl - 1.0/13C glucose - 2.0; 13C glucose 2.0; 13C glucose 2.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CrgA 2.0 g/L '[U-100% 13C; U-100% 15N]' $CrgA 2.0 g/L '[U-100% 13C]' $CrgA 2.0 g/L '[U-100% 13C]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.34 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NAMD _Saveframe_category software _Name NAMD _Version 2.9 loop_ _Vendor _Address _Electronic_address '(NAMD) Phillips, Braun, Wang, Gumbart, Tajkhorshid, Villa, Chipot, Skeel, Kale and Schulten' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Spectrometer equipped with wide bore low-E static NMR probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Spectrometer equipped with 3mm low-E triple resonance magic angle spinning probe' save_ ############################# # NMR applied experiments # ############################# save_2D_PISEMA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D PISEMA' _Sample_label $sample_1 save_ save_2D_13C-13C_DARR_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C DARR' _Sample_label $sample_2 save_ save_3D_NCACX,NCOCX,CAN(CO)CX_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX,NCOCX,CAN(CO)CX' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; CrgA membrane protein in POPC/POPG (4:1 mol/mol) liposome layered on ~40 glass slides, partially dried and stacked on top of each other to prepare the final oriented state solid state NMR sample. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.0 . pH pressure 1 . atm temperature 273 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'CrgA membrane protein in POPC/POPG (4:1 mol/mol) liposome used for MAS solid state NMR spectroscopy' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.0 . pH temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; 15N chemical shift reference: In all spectra 15N chemical shifts were referenced to the nitrogen signal of an aqueous solution of 15N- labeled ammonium sulphate [(15NH4)2SO4] (5%, pH 3.1) at 26.8 ppm. 13C chemical shift reference: 13C spectra were referenced to the carbonyl carbon resonance of Glycine at 178.4 ppm with respect to TMS. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio '13C Glycine' C 13 'carbonyl carbon' ppm 178.4 external direct . . . 1.0 '[15N] ammonium sulfate' N 15 nitrogen ppm 26.8 external direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'These are all anisotropic (not isotropic in solution) chemical shifts.' loop_ _Experiment_label '2D PISEMA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'M. tuberculosis CrgA membrane protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 31 31 VAL N N 221.3 . . 2 32 32 TRP N N 210.3 . . 3 33 33 PHE N N 203.5 . . 4 34 34 VAL N N 211.5 . . 5 35 35 SER N N 227.5 . . 6 36 36 LEU N N 206.9 . . 7 37 37 PHE N N 209.4 . . 8 38 38 ILE N N 222.0 . . 9 39 39 GLY N N 220.4 . . 10 40 40 LEU N N 198.3 . . 11 41 41 MET N N 202.9 . . 12 42 42 LEU N N 226.0 . . 13 43 43 ILE N N 208.6 . . 14 45 45 LEU N N 224.6 . . 15 46 46 ILE N N 225.3 . . 16 47 47 TRP N N 188.6 . . 17 48 48 LEU N N 215.8 . . 18 49 49 MET N N 222.5 . . 19 50 50 VAL N N 171.3 . . 20 51 51 PHE N N 225.1 . . 21 53 53 LEU N N 174.3 . . 22 73 73 TRP N N 224.6 . . 23 74 74 ASN N N 208.9 . . 24 75 75 TYR N N 189.7 . . 25 76 76 ALA N N 220.9 . . 26 77 77 ILE N N 224.8 . . 27 78 78 ALA N N 200.8 . . 28 79 79 PHE N N 219.1 . . 29 80 80 ALA N N 228.5 . . 30 81 81 PHE N N 210.0 . . 31 82 82 MET N N 193.7 . . 32 83 83 ILE N N 218.1 . . 33 84 84 THR N N 223.0 . . 34 85 85 GLY N N 203.3 . . 35 86 86 LEU N N 203.8 . . 36 87 87 LEU N N 230.4 . . 37 88 88 LEU N N 219.1 . . 38 89 89 THR N N 215.8 . . 39 90 90 MET N N 207.4 . . 40 91 91 ARG N N 177.3 . . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'These are all isotropic chemical shifts.' loop_ _Experiment_label '2D PISEMA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'M. tuberculosis CrgA membrane protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 38 38 ILE C C 177.2 . . 2 38 38 ILE CA C 66.21 . . 3 38 38 ILE CB C 37.98 . . 4 38 38 ILE CG1 C 29.87 . . 5 38 38 ILE CG2 C 17.26 . . 6 38 38 ILE CD1 C 15.93 . . 7 38 38 ILE N N 121.0 . . 8 39 39 GLY C C 174.2 . . 9 39 39 GLY CA C 47.19 . . 10 39 39 GLY N N 108.0 . . 11 40 40 LEU C C 178.4 . . 12 40 40 LEU CA C 58.45 . . 13 40 40 LEU CB C 41.81 . . 14 40 40 LEU N N 122.0 . . 15 41 41 MET C C 178.6 . . 16 41 41 MET CA C 58.96 . . 17 41 41 MET CB C 33.25 . . 18 41 41 MET CG C 30.59 . . 19 41 41 MET N N 121.0 . . 20 42 42 LEU C C 178.4 . . 21 42 42 LEU CA C 58.32 . . 22 42 42 LEU CB C 41.6 . . 23 42 42 LEU CG C 27.25 . . 24 42 42 LEU N N 121.0 . . 25 43 43 ILE C C 177.2 . . 26 43 43 ILE CA C 64.17 . . 27 43 43 ILE CB C 36.96 . . 28 43 43 ILE CG1 C 27.78 . . 29 43 43 ILE CG2 C 18.08 . . 30 43 43 ILE N N 117.0 . . 31 48 48 LEU C C 178.6 . . 32 48 48 LEU CA C 58.45 . . 33 48 48 LEU CB C 42.22 . . 34 48 48 LEU N N 121.5 . . 35 49 49 MET C C 177.9 . . 36 49 49 MET CA C 61.29 . . 37 49 49 MET CB C 34.32 . . 38 49 49 MET N N 120.3 . . 39 50 50 VAL C C 177.0 . . 40 50 50 VAL CA C 66.39 . . 41 50 50 VAL CB C 31.89 . . 42 50 50 VAL N N 118.0 . . 43 75 75 TYR C C 177.2 . . 44 75 75 TYR CA C 55.42 . . 45 75 75 TYR CB C 37.7 . . 46 75 75 TYR N N 118.0 . . 47 76 76 ALA C C 177.7 . . 48 76 76 ALA CA C 55.73 . . 49 76 76 ALA CB C 17.66 . . 50 76 76 ALA N N 123.0 . . 51 77 77 ILE C C 177.9 . . 52 77 77 ILE CA C 66.49 . . 53 77 77 ILE CB C 38.12 . . 54 77 77 ILE CG1 C 24.2 . . 55 77 77 ILE N N 120.0 . . 56 78 78 ALA C C 177.5 . . 57 78 78 ALA CA C 52.99 . . 58 78 78 ALA CB C 18.61 . . 59 78 78 ALA N N 122.0 . . 60 79 79 PHE C C 177.6 . . 61 79 79 PHE CA C 61.5 . . 62 79 79 PHE CB C 38.33 . . 63 79 79 PHE N N 119.0 . . 64 80 80 ALA C C 178.2 . . 65 80 80 ALA CA C 55.1 . . 66 80 80 ALA CB C 17.97 . . 67 80 80 ALA N N 121.0 . . 68 81 81 PHE C C 175.4 . . 69 81 81 PHE CA C 57.53 . . 70 81 81 PHE CB C 39.28 . . 71 81 81 PHE N N 118.0 . . 72 82 82 MET C C 177.8 . . 73 82 82 MET CA C 60.16 . . 74 82 82 MET CB C 33.58 . . 75 82 82 MET N N 123.0 . . 76 83 83 ILE C C 177.6 . . 77 83 83 ILE CA C 66.57 . . 78 83 83 ILE CB C 38.95 . . 79 83 83 ILE N N 119.0 . . 80 84 84 THR C C 174.5 . . 81 84 84 THR CA C 62.33 . . 82 84 84 THR CB C 67.76 . . 83 84 84 THR N N 113.0 . . 84 85 85 GLY C C 176.4 . . 85 85 85 GLY CA C 47.6 . . 86 85 85 GLY N N 109.0 . . stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . loop_ _Sample_label $sample_1 $sample_2 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DNH 31 VAL N 31 VAL H 8.07 ? ? . . . DNH 32 TRP N 32 TRP H 9.232 ? ? . . . DNH 33 PHE N 33 PHE H 7.845 ? ? . . . DNH 34 VAL N 34 VAL H 6.5 ? ? . . . DNH 35 SER N 35 SER H 9.07 ? ? . . . DNH 36 LEU N 36 LEU H 9.57 ? ? . . . DNH 37 PHE N 37 PHE H 6.96 ? ? . . . DNH 38 ILE N 38 ILE H 7.23 ? ? . . . DNH 39 GLY N 39 GLY H 9.66 ? ? . . . DNH 40 LEU N 40 LEU H 8.2 ? ? . . . DNH 41 MET N 41 MET H 7.905 ? ? . . . DNH 42 LEU N 42 LEU H 8.932 ? ? . . . DNH 43 ILE N 43 ILE H 9.9 ? ? . . . DNH 45 LEU N 45 LEU H 7.59 ? ? . . . DNH 46 ILE N 46 ILE H 9.02 ? ? . . . DNH 47 TRP N 47 TRP H 8.75 ? ? . . . DNH 48 LEU N 48 LEU H 7.09 ? ? . . . DNH 49 MET N 49 MET H 8.077 ? ? . . . DNH 50 VAL N 50 VAL H 6.417 ? ? . . . DNH 51 PHE N 51 PHE H 8.235 ? ? . . . DNH 53 LEU N 53 LEU H 6.64 ? ? . . . DNH 73 TRP N 73 TRP H 8.4 ? ? . . . DNH 74 ASN N 74 ASN H 9.57 ? ? . . . DNH 75 TYR N 75 TYR H 4.282 ? ? . . . DNH 76 ALA N 76 ALA H 7.8 ? ? . . . DNH 77 ILE N 77 ILE H 10.07 ? ? . . . DNH 78 ALA N 78 ALA H 8.75 ? ? . . . DNH 79 PHE N 79 PHE H 7.2 ? ? . . . DNH 80 ALA N 80 ALA H 8.7 ? ? . . . DNH 81 PHE N 81 PHE H 9.1 ? ? . . . DNH 82 MET N 82 MET H 7.805 ? ? . . . DNH 83 ILE N 83 ILE H 6.06 ? ? . . . DNH 84 THR N 84 THR H 9.17 ? ? . . . DNH 85 GLY N 85 GLY H 9.77 ? ? . . . DNH 86 LEU N 86 LEU H 6.62 ? ? . . . DNH 87 LEU N 87 LEU H 7.95 ? ? . . . DNH 88 LEU N 88 LEU H 8.57 ? ? . . . DNH 89 THR N 89 THR H 10.357 ? ? . . . DNH 90 MET N 90 MET H 8.797 ? ? . . . DNH 91 ARG N 91 ARG H 4.734 ? ? . . . stop_ save_