data_15774 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rv1761c ; _BMRB_accession_number 15774 _BMRB_flat_file_name bmr15774.str _Entry_type original _Submission_date 2008-05-14 _Accession_date 2008-05-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'integral membrane protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Page Richard C. . 2 Moore Jacob D. . 3 Lee Sangwon . . 4 Opella Stanley J. . 5 Cross Timothy A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 118 "13C chemical shifts" 335 "15N chemical shifts" 118 "residual dipolar couplings" 217 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-02-24 update BMRB 'complete entry citation' 2009-02-10 update BMRB 'correct residue sequences in RDC tables' 2008-12-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone structure of a small helical integral membrane protein: A unique structural characterization' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19177358 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Page Richard C. . 2 Lee Sangwon . . 3 Moore Jacob D. . 4 Opella Stanley J. . 5 Cross Timothy A. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 18 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 134 _Page_last 146 _Year 2009 _Details . loop_ _Keyword 'detergent micelle' 'integral membrane protein' 'Mycobacterium tuberculosis' 'paramagnetic relaxation enhancement' 'residual dipolar couplings' 'solution NMR' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rv1761c _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rv1761c $Rv1761c MTN $MTN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rv1761c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rv1761c _Molecular_mass 13491.678 _Mol_thiol_state 'not present' loop_ _Biological_function unknown stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MHHHHHHSSGVDLGTENLYF QSNAMSDFDTERVSRAVAAA LVGPGGVALVVKVFAGLPGV IHTPARRGFFRSNPERIQIG DWRYEVAHDGRLLAAHMVNG IVIAEDALIAEAVGPHLARA LGQIVSRYGATVIPNINAAI EVLGTGTDYRF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -23 MET 2 -22 HIS 3 -21 HIS 4 -20 HIS 5 -19 HIS 6 -18 HIS 7 -17 HIS 8 -16 SER 9 -15 SER 10 -14 GLY 11 -13 VAL 12 -12 ASP 13 -11 LEU 14 -10 GLY 15 -9 THR 16 -8 GLU 17 -7 ASN 18 -6 LEU 19 -5 TYR 20 -4 PHE 21 -3 GLN 22 -2 SER 23 -1 ASN 24 0 ALA 25 1 MET 26 2 SER 27 3 ASP 28 4 PHE 29 5 ASP 30 6 THR 31 7 GLU 32 8 ARG 33 9 VAL 34 10 SER 35 11 ARG 36 12 ALA 37 13 VAL 38 14 ALA 39 15 ALA 40 16 ALA 41 17 LEU 42 18 VAL 43 19 GLY 44 20 PRO 45 21 GLY 46 22 GLY 47 23 VAL 48 24 ALA 49 25 LEU 50 26 VAL 51 27 VAL 52 28 LYS 53 29 VAL 54 30 PHE 55 31 ALA 56 32 GLY 57 33 LEU 58 34 PRO 59 35 GLY 60 36 VAL 61 37 ILE 62 38 HIS 63 39 THR 64 40 PRO 65 41 ALA 66 42 ARG 67 43 ARG 68 44 GLY 69 45 PHE 70 46 PHE 71 47 ARG 72 48 SER 73 49 ASN 74 50 PRO 75 51 GLU 76 52 ARG 77 53 ILE 78 54 GLN 79 55 ILE 80 56 GLY 81 57 ASP 82 58 TRP 83 59 ARG 84 60 TYR 85 61 GLU 86 62 VAL 87 63 ALA 88 64 HIS 89 65 ASP 90 66 GLY 91 67 ARG 92 68 LEU 93 69 LEU 94 70 ALA 95 71 ALA 96 72 HIS 97 73 MET 98 74 VAL 99 75 ASN 100 76 GLY 101 77 ILE 102 78 VAL 103 79 ILE 104 80 ALA 105 81 GLU 106 82 ASP 107 83 ALA 108 84 LEU 109 85 ILE 110 86 ALA 111 87 GLU 112 88 ALA 113 89 VAL 114 90 GLY 115 91 PRO 116 92 HIS 117 93 LEU 118 94 ALA 119 95 ARG 120 96 ALA 121 97 LEU 122 98 GLY 123 99 GLN 124 100 ILE 125 101 VAL 126 102 SER 127 103 ARG 128 104 TYR 129 105 GLY 130 106 ALA 131 107 THR 132 108 VAL 133 109 ILE 134 110 PRO 135 111 ASN 136 112 ILE 137 113 ASN 138 114 ALA 139 115 ALA 140 116 ILE 141 117 GLU 142 118 VAL 143 119 LEU 144 120 GLY 145 121 THR 146 122 GLY 147 123 THR 148 124 ASP 149 125 TYR 150 126 ARG 151 127 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 2K3M Rv1761c 100.00 151 98.01 98.01 5.97e-101 DBJ BAH26065 "hypothetical protein JTY_1777 [Mycobacterium bovis BCG str. Tokyo 172]" 84.11 127 100.00 100.00 3.91e-83 DBJ BAL65739 "hypothetical protein ERDMAN_1946 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 84.11 127 100.00 100.00 3.91e-83 EMBL CAL71789 "Hypothetical exported protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" 84.11 127 100.00 100.00 3.91e-83 EMBL CCC26851 "putative exported protein [Mycobacterium africanum GM041182]" 84.11 127 100.00 100.00 3.91e-83 EMBL CCC44109 "hypothetical exported protein [Mycobacterium canettii CIPT 140010059]" 84.11 127 99.21 99.21 1.95e-82 EMBL CCC64362 "hypothetical exported protein [Mycobacterium bovis BCG str. Moreau RDJ]" 84.11 127 100.00 100.00 3.91e-83 EMBL CCG11637 "putative EXPORTED protein [Mycobacterium tuberculosis 7199-99]" 84.11 127 100.00 100.00 3.91e-83 GB AAK46081 "hypothetical protein MT1810 [Mycobacterium tuberculosis CDC1551]" 84.11 127 100.00 100.00 3.91e-83 GB ABQ73528 "hypothetical protein MRA_1775 [Mycobacterium tuberculosis H37Ra]" 84.11 127 100.00 100.00 3.91e-83 GB ABR06126 "hypothetical exported protein [Mycobacterium tuberculosis F11]" 84.11 127 100.00 100.00 3.91e-83 GB ACT25304 "hypothetical exported protein [Mycobacterium tuberculosis KZN 1435]" 84.11 127 100.00 100.00 3.91e-83 GB AEB04376 "hypothetical exported protein [Mycobacterium tuberculosis KZN 4207]" 84.11 127 100.00 100.00 3.91e-83 REF NP_216277 "hypothetical protein Rv1761c [Mycobacterium tuberculosis H37Rv]" 84.11 127 100.00 100.00 3.91e-83 REF NP_855444 "hypothetical protein Mb1792c [Mycobacterium bovis AF2122/97]" 84.11 127 100.00 100.00 3.91e-83 REF WP_003899008 "MULTISPECIES: hypothetical protein [Mycobacterium]" 84.11 127 100.00 100.00 3.91e-83 REF WP_003910433 "hypothetical protein [Mycobacterium africanum]" 84.11 127 99.21 99.21 1.88e-82 REF WP_014000931 "hypothetical protein [Mycobacterium canettii]" 84.11 127 99.21 99.21 1.95e-82 stop_ save_ ############# # Ligands # ############# save_MTN _Saveframe_category ligand _Mol_type non-polymer _Name_common "MTN (2,2,5,5-TETRAMETHYL-3-(SULFANYLMETHYL)-2,5-DIHYDRO-1H-PYRROL-1-OL)" _BMRB_code . _PDB_code MTN _Molecular_mass 187.302 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:58:00 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C N 0 . ? C2 C2 C N 0 . ? C3 C3 C N 0 . ? C4 C4 C N 0 . ? C5 C5 C N 0 . ? C6 C6 C N 0 . ? C7 C7 C N 0 . ? C8 C8 C N 0 . ? C9 C9 C N 0 . ? H2 H2 H N 0 . ? H41 H41 H N 0 . ? H42 H42 H N 0 . ? H61 H61 H N 0 . ? H62 H62 H N 0 . ? H63 H63 H N 0 . ? H71 H71 H N 0 . ? H72 H72 H N 0 . ? H73 H73 H N 0 . ? H81 H81 H N 0 . ? H82 H82 H N 0 . ? H83 H83 H N 0 . ? H91 H91 H N 0 . ? H92 H92 H N 0 . ? H93 H93 H N 0 . ? HO1 HO1 H N 0 . ? HS1 HS1 H N 0 . ? N1 N1 N N 0 . ? O1 O1 O N 0 . ? S1 S1 S N 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING O1 N1 ? ? SING O1 HO1 ? ? SING N1 C1 ? ? SING N1 C5 ? ? SING C1 C2 ? ? SING C1 C8 ? ? SING C1 C9 ? ? DOUB C2 C3 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 C5 ? ? SING C4 S1 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING S1 HS1 ? ? SING C5 C6 ? ? SING C5 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C6 H63 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C7 H73 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C8 H83 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C9 H93 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 $Rv1761c 'Bacillus tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis H37Rv Rv1761c 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 $Rv1761c 'recombinant technology' . Escherichia coli BL21(DE3) pTBSG1 'ligation independent cloning vector producing N-terminal His6 tag' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_F30C-MTSL_Rv1761c _Saveframe_category sample _Sample_type solution _Details ; F30C-MTSL labeled Rv1761c sample used to collect PRE data. cysteine residue with covalently attached MTSL spin label [(1-Oxyl-2,2,5,5-tetramethyl-d-3-pyrroline-3-methyl) methanethiosulfonate]. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rv1761c 0.4 mM '[U-100% 15N]' CYSP 0.4 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' DPC 150 mM 'natural abundance' stop_ save_ save_S48C-MTSL_Rv1761c _Saveframe_category sample _Sample_type solution _Details ; S48C-MTSL labled Rv1761c sample used to collect PRE data. cysteine residue with covalently attached MTSL spin label [(1-Oxyl-2,2,5,5-tetramethyl-d-3-pyrroline-3-methyl) methanethiosulfonate]. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rv1761c 0.4 mM '[U-100% 15N]' CYSP 0.4 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' DPC 150 mM 'natural abundance' stop_ save_ save_S102C-MTSL_Rv1761c _Saveframe_category sample _Sample_type micelle _Details ; S102C-MTSL labeled Rv1761c sample used to collect PRE data. cysteine residue with covalently attached MTSL spin label [(1-Oxyl-2,2,5,5-tetramethyl-d-3-pyrroline-3-methyl) methanethiosulfonate]. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rv1761c 0.4 mM '[U-100% 15N]' CYSP 0.4 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' DPC 150 mM 'natural abundance' stop_ save_ save_15N_13C_Rv1761c _Saveframe_category sample _Sample_type micelle _Details 'sample used for assignments' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rv1761c 1 mM '[U-100% 13C; U-100% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' DPC 150 mM 'natural abundance' stop_ save_ save_15N_Rv1761c _Saveframe_category sample _Sample_type micelle _Details 'sample used for assignments' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rv1761c 1 mM '[U-100% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' DPC 150 mM 'natural abundance' stop_ save_ save_15N_Rv1761c-neutral_gel _Saveframe_category sample _Sample_type micelle _Details 'neutral gel sample for RDC' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rv1761c 1 mM '[U-100% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' DPC 150 mM 'natural abundance' 'polyacrylamide gel' 5 % 'natural abundance' stop_ save_ save_15N_Rv1761c-charged_gel _Saveframe_category sample _Sample_type micelle _Details 'negatively charged gel sample for RDC' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rv1761c 1 mM '[U-100% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' DPC 150 mM 'natural abundance' 'polyacrylamide gel' 4.4 % 'natural abundance' '2-acrylamido-2-methyl-1-propanesulfonic acid' 1.1 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.18 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_600_-_UCSD _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'cryoprobe equipped' save_ save_Varian_600_-_NHMFL _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_Varian_720_-_NHMFL _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 720 _Details . save_ save_Bruker_900_-_NHMFL _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _Field_strength 900 _Details 'ultra-wide bore 900MHz at National High Magnetic Field Laboratory' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_13C_Rv1761c save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $F30C-MTSL_Rv1761c save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $S48C-MTSL_Rv1761c save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $S102C-MTSL_Rv1761c save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N_13C_Rv1761c save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N_13C_Rv1761c save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N_13C_Rv1761c save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N_13C_Rv1761c save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C_Rv1761c save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_Rv1761c save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_Rv1761c save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_Rv1761c save_ save_2D_1H-15N_HSQC-IPAP_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-IPAP' _Sample_label $15N_Rv1761c-neutral_gel save_ save_2D_1H-15N_HSQC-IPAP_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-IPAP' _Sample_label $15N_Rv1761c-charged_gel save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'identical conditions used for all experiments' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 170 5 mM pH 4 0.02 pH pressure 1 . atm temperature 323 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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 . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $15N_13C_Rv1761c stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rv1761c _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 1 25 MET H H 8.240 0.02 1 2 1 25 MET C C 177.580 0.30 1 3 1 25 MET CA C 56.210 0.30 1 4 1 25 MET CB C 32.410 0.30 1 5 1 25 MET N N 116.010 0.25 1 6 2 26 SER H H 8.050 0.02 1 7 2 26 SER C C 175.590 0.30 1 8 2 26 SER CA C 59.610 0.30 1 9 2 26 SER CB C 63.580 0.30 1 10 2 26 SER N N 114.340 0.25 1 11 3 27 ASP H H 8.290 0.02 1 12 3 27 ASP C C 176.140 0.30 1 13 3 27 ASP CA C 53.960 0.30 1 14 3 27 ASP CB C 39.260 0.30 1 15 3 27 ASP N N 119.820 0.25 1 16 4 28 PHE H H 8.020 0.02 1 17 4 28 PHE C C 175.480 0.30 1 18 4 28 PHE CA C 58.100 0.30 1 19 4 28 PHE CB C 39.550 0.30 1 20 4 28 PHE N N 119.380 0.25 1 21 5 29 ASP H H 8.120 0.02 1 22 5 29 ASP C C 177.140 0.30 1 23 5 29 ASP CA C 53.300 0.30 1 24 5 29 ASP CB C 40.020 0.30 1 25 5 29 ASP N N 121.130 0.25 1 26 6 30 THR H H 8.470 0.02 1 27 6 30 THR C C 177.520 0.30 1 28 6 30 THR CA C 65.220 0.30 1 29 6 30 THR CB C 68.460 0.30 1 30 6 30 THR N N 116.230 0.25 1 31 7 31 GLU H H 8.570 0.02 1 32 7 31 GLU C C 178.580 0.30 1 33 7 31 GLU CA C 58.960 0.30 1 34 7 31 GLU CB C 28.140 0.30 1 35 7 31 GLU N N 122.710 0.25 1 36 8 32 ARG H H 8.120 0.02 1 37 8 32 ARG C C 179.800 0.30 1 38 8 32 ARG CA C 58.830 0.30 1 39 8 32 ARG CB C 30.350 0.30 1 40 8 32 ARG N N 119.090 0.25 1 41 9 33 VAL H H 8.020 0.02 1 42 9 33 VAL C C 177.750 0.30 1 43 9 33 VAL CA C 65.870 0.30 1 44 9 33 VAL CB C 31.500 0.30 1 45 9 33 VAL N N 118.150 0.25 1 46 10 34 SER H H 8.290 0.02 1 47 10 34 SER CA C 61.880 0.30 1 48 10 34 SER N N 115.790 0.25 1 49 11 35 ARG H H 8.300 0.02 1 50 11 35 ARG C C 179.230 0.30 1 51 11 35 ARG CA C 59.540 0.30 1 52 11 35 ARG N N 120.660 0.25 1 53 12 36 ALA H H 7.900 0.02 1 54 12 36 ALA C C 181.140 0.30 1 55 12 36 ALA CA C 54.990 0.30 1 56 12 36 ALA CB C 18.400 0.30 1 57 12 36 ALA N N 122.020 0.25 1 58 13 37 VAL H H 8.290 0.02 1 59 13 37 VAL C C 178.230 0.30 1 60 13 37 VAL CA C 66.350 0.30 1 61 13 37 VAL CB C 31.350 0.30 1 62 13 37 VAL N N 117.770 0.25 1 63 14 38 ALA H H 8.210 0.02 1 64 14 38 ALA C C 180.040 0.30 1 65 14 38 ALA CA C 55.520 0.30 1 66 14 38 ALA CB C 18.190 0.30 1 67 14 38 ALA N N 120.580 0.25 1 68 15 39 ALA H H 8.080 0.02 1 69 15 39 ALA C C 180.610 0.30 1 70 15 39 ALA CA C 54.480 0.30 1 71 15 39 ALA CB C 18.150 0.30 1 72 15 39 ALA N N 117.430 0.25 1 73 16 40 ALA H H 7.800 0.02 1 74 16 40 ALA C C 179.680 0.30 1 75 16 40 ALA CA C 53.900 0.30 1 76 16 40 ALA CB C 18.650 0.30 1 77 16 40 ALA N N 119.100 0.25 1 78 17 41 LEU H H 7.900 0.02 1 79 17 41 LEU C C 177.690 0.30 1 80 17 41 LEU CA C 56.660 0.30 1 81 17 41 LEU CB C 42.880 0.30 1 82 17 41 LEU N N 115.750 0.25 1 83 18 42 VAL H H 7.640 0.02 1 84 18 42 VAL C C 177.180 0.30 1 85 18 42 VAL CA C 62.110 0.30 1 86 18 42 VAL CB C 31.890 0.30 1 87 18 42 VAL N N 111.230 0.25 1 88 19 43 GLY H H 7.890 0.02 1 89 19 43 GLY CA C 44.840 0.30 1 90 19 43 GLY N N 109.650 0.25 1 91 20 44 PRO C C 179.900 0.30 1 92 20 44 PRO CA C 64.720 0.30 1 93 20 44 PRO CB C 31.590 0.30 1 94 21 45 GLY H H 8.940 0.02 1 95 21 45 GLY C C 176.830 0.30 1 96 21 45 GLY CA C 46.330 0.30 1 97 21 45 GLY N N 108.480 0.25 1 98 22 46 GLY H H 8.190 0.02 1 99 22 46 GLY C C 176.120 0.30 1 100 22 46 GLY CA C 47.210 0.30 1 101 22 46 GLY N N 109.860 0.25 1 102 23 47 VAL H H 8.210 0.02 1 103 23 47 VAL C C 177.970 0.30 1 104 23 47 VAL CA C 66.500 0.30 1 105 23 47 VAL CB C 31.530 0.30 1 106 23 47 VAL N N 120.580 0.25 1 107 24 48 ALA H H 8.070 0.02 1 108 24 48 ALA C C 181.100 0.30 1 109 24 48 ALA CA C 54.990 0.30 1 110 24 48 ALA CB C 18.010 0.30 1 111 24 48 ALA N N 120.470 0.25 1 112 25 49 LEU H H 7.780 0.02 1 113 25 49 LEU C C 179.100 0.30 1 114 25 49 LEU CA C 58.000 0.30 1 115 25 49 LEU CB C 41.810 0.30 1 116 25 49 LEU N N 118.220 0.25 1 117 26 50 VAL H H 7.990 0.02 1 118 26 50 VAL C C 178.600 0.30 1 119 26 50 VAL CA C 66.980 0.30 1 120 26 50 VAL CB C 31.340 0.30 1 121 26 50 VAL N N 117.910 0.25 1 122 27 51 VAL H H 8.270 0.02 1 123 27 51 VAL C C 178.610 0.30 1 124 27 51 VAL CA C 66.930 0.30 1 125 27 51 VAL CB C 31.370 0.30 1 126 27 51 VAL N N 117.830 0.25 1 127 28 52 LYS H H 7.840 0.02 1 128 28 52 LYS C C 180.180 0.30 1 129 28 52 LYS CA C 59.410 0.30 1 130 28 52 LYS CB C 32.360 0.30 1 131 28 52 LYS N N 119.020 0.25 1 132 29 53 VAL H H 8.190 0.02 1 133 29 53 VAL C C 178.570 0.30 1 134 29 53 VAL CA C 66.160 0.30 1 135 29 53 VAL CB C 31.310 0.30 1 136 29 53 VAL N N 118.270 0.25 1 137 30 54 PHE H H 8.340 0.02 1 138 30 54 PHE C C 178.010 0.30 1 139 30 54 PHE CA C 60.680 0.30 1 140 30 54 PHE CB C 38.770 0.30 1 141 30 54 PHE N N 117.530 0.25 1 142 31 55 ALA H H 8.250 0.02 1 143 31 55 ALA C C 179.680 0.30 1 144 31 55 ALA CA C 54.210 0.30 1 145 31 55 ALA CB C 18.390 0.30 1 146 31 55 ALA N N 119.420 0.25 1 147 32 56 GLY H H 8.080 0.02 1 148 32 56 GLY C C 175.680 0.30 1 149 32 56 GLY CA C 45.190 0.30 1 150 32 56 GLY N N 104.280 0.25 1 151 33 57 LEU H H 7.880 0.02 1 152 33 57 LEU CA C 56.760 0.30 1 153 33 57 LEU CB C 40.820 0.30 1 154 33 57 LEU N N 121.870 0.25 1 155 34 58 PRO C C 178.260 0.30 1 156 34 58 PRO CA C 65.280 0.30 1 157 34 58 PRO CB C 31.110 0.30 1 158 35 59 GLY H H 8.210 0.02 1 159 35 59 GLY C C 176.040 0.30 1 160 35 59 GLY CA C 46.150 0.30 1 161 35 59 GLY N N 104.540 0.25 1 162 36 60 VAL H H 7.930 0.02 1 163 36 60 VAL C C 176.960 0.30 1 164 36 60 VAL CA C 63.420 0.30 1 165 36 60 VAL CB C 32.400 0.30 1 166 36 60 VAL N N 117.560 0.25 1 167 37 61 ILE H H 7.770 0.02 1 168 37 61 ILE C C 176.330 0.30 1 169 37 61 ILE CA C 61.680 0.30 1 170 37 61 ILE CB C 38.140 0.30 1 171 37 61 ILE N N 117.480 0.25 1 172 38 62 HIS H H 8.240 0.02 1 173 38 62 HIS C C 175.130 0.30 1 174 38 62 HIS CA C 55.060 0.30 1 175 38 62 HIS CB C 28.810 0.30 1 176 38 62 HIS N N 119.080 0.25 1 177 39 63 THR H H 8.140 0.02 1 178 39 63 THR CA C 60.680 0.30 1 179 39 63 THR CB C 69.190 0.30 1 180 39 63 THR N N 116.510 0.25 1 181 40 64 PRO C C 177.630 0.30 1 182 40 64 PRO CA C 63.720 0.30 1 183 40 64 PRO CB C 31.660 0.30 1 184 41 65 ALA H H 8.340 0.02 1 185 41 65 ALA C C 178.850 0.30 1 186 41 65 ALA CA C 52.840 0.30 1 187 41 65 ALA CB C 18.990 0.30 1 188 41 65 ALA N N 122.640 0.25 1 189 42 66 ARG H H 8.210 0.02 1 190 42 66 ARG C C 177.160 0.30 1 191 42 66 ARG CA C 56.480 0.30 1 192 42 66 ARG CB C 30.510 0.30 1 193 42 66 ARG N N 118.870 0.25 1 194 43 67 ARG H H 8.250 0.02 1 195 43 67 ARG C C 177.550 0.30 1 196 43 67 ARG CA C 56.390 0.30 1 197 43 67 ARG CB C 30.590 0.30 1 198 43 67 ARG N N 120.360 0.25 1 199 44 68 GLY H H 8.380 0.02 1 200 44 68 GLY C C 174.970 0.30 1 201 44 68 GLY CA C 45.540 0.30 1 202 44 68 GLY N N 108.580 0.25 1 203 45 69 PHE H H 8.240 0.02 1 204 45 69 PHE C C 176.280 0.30 1 205 45 69 PHE CA C 58.950 0.30 1 206 45 69 PHE CB C 39.700 0.30 1 207 45 69 PHE N N 119.970 0.25 1 208 46 70 PHE H H 8.240 0.02 1 209 46 70 PHE C C 176.340 0.30 1 210 46 70 PHE CA C 57.840 0.30 1 211 46 70 PHE CB C 39.230 0.30 1 212 46 70 PHE N N 118.100 0.25 1 213 47 71 ARG H H 8.270 0.02 1 214 47 71 ARG CA C 56.160 0.30 1 215 47 71 ARG CB C 30.700 0.30 1 216 47 71 ARG N N 120.750 0.25 1 217 48 72 SER H H 8.270 0.02 1 218 48 72 SER C C 174.640 0.30 1 219 48 72 SER CA C 58.290 0.30 1 220 48 72 SER N N 116.120 0.25 1 221 49 73 ASN H H 8.500 0.02 1 222 49 73 ASN CA C 51.570 0.30 1 223 49 73 ASN CB C 38.880 0.30 1 224 49 73 ASN N N 120.870 0.25 1 225 50 74 PRO C C 177.700 0.30 1 226 50 74 PRO CA C 63.710 0.30 1 227 50 74 PRO CB C 31.790 0.30 1 228 51 75 GLU H H 8.430 0.02 1 229 51 75 GLU CA C 56.490 0.30 1 230 51 75 GLU CB C 29.110 0.30 1 231 51 75 GLU N N 119.370 0.25 1 232 52 76 ARG C C 176.910 0.30 1 233 52 76 ARG CA C 56.180 0.30 1 234 53 77 ILE H H 8.110 0.02 1 235 53 77 ILE C C 176.350 0.30 1 236 53 77 ILE CA C 61.160 0.30 1 237 53 77 ILE CB C 38.640 0.30 1 238 53 77 ILE N N 120.750 0.25 1 239 54 78 GLN H H 8.460 0.02 1 240 54 78 GLN C C 176.570 0.30 1 241 54 78 GLN CA C 55.270 0.30 1 242 54 78 GLN CB C 29.430 0.30 1 243 54 78 GLN N N 124.800 0.25 1 244 55 79 ILE H H 8.330 0.02 1 245 55 79 ILE C C 177.250 0.30 1 246 55 79 ILE CA C 61.760 0.30 1 247 55 79 ILE CB C 38.550 0.30 1 248 55 79 ILE N N 121.610 0.25 1 249 56 80 GLY H H 8.410 0.02 1 250 56 80 GLY C C 175.210 0.30 1 251 56 80 GLY CA C 45.750 0.30 1 252 56 80 GLY N N 110.750 0.25 1 253 57 81 ASP H H 8.320 0.02 1 254 57 81 ASP C C 177.970 0.30 1 255 57 81 ASP CA C 53.920 0.30 1 256 57 81 ASP CB C 40.160 0.30 1 257 57 81 ASP N N 120.900 0.25 1 258 58 82 TRP H H 8.410 0.02 1 259 58 82 TRP C C 178.170 0.30 1 260 58 82 TRP CA C 59.380 0.30 1 261 58 82 TRP CB C 28.510 0.30 1 262 58 82 TRP N N 123.300 0.25 1 263 59 83 ARG H H 7.830 0.02 1 264 59 83 ARG CA C 59.640 0.30 1 265 59 83 ARG CB C 29.410 0.30 1 266 59 83 ARG N N 120.800 0.25 1 267 60 84 TYR H H 7.770 0.02 1 268 60 84 TYR C C 178.850 0.30 1 269 60 84 TYR CA C 60.880 0.30 1 270 60 84 TYR CB C 38.130 0.30 1 271 60 84 TYR N N 118.830 0.25 1 272 61 85 GLU H H 8.210 0.02 1 273 61 85 GLU C C 179.220 0.30 1 274 61 85 GLU CA C 58.750 0.30 1 275 61 85 GLU CB C 28.630 0.30 1 276 61 85 GLU N N 119.360 0.25 1 277 62 86 VAL H H 8.430 0.02 1 278 62 86 VAL C C 177.850 0.30 1 279 62 86 VAL CA C 66.300 0.30 1 280 62 86 VAL CB C 31.680 0.30 1 281 62 86 VAL N N 117.930 0.25 1 282 63 87 ALA H H 7.900 0.02 1 283 63 87 ALA C C 179.690 0.30 1 284 63 87 ALA CA C 54.740 0.30 1 285 63 87 ALA CB C 18.520 0.30 1 286 63 87 ALA N N 120.800 0.25 1 287 64 88 HIS H H 8.340 0.02 1 288 64 88 HIS C C 176.980 0.30 1 289 64 88 HIS CA C 58.180 0.30 1 290 64 88 HIS CB C 28.250 0.30 1 291 64 88 HIS N N 114.940 0.25 1 292 65 89 ASP H H 8.610 0.02 1 293 65 89 ASP C C 178.200 0.30 1 294 65 89 ASP CA C 55.150 0.30 1 295 65 89 ASP CB C 38.440 0.30 1 296 65 89 ASP N N 118.510 0.25 1 297 66 90 GLY H H 8.720 0.02 1 298 66 90 GLY C C 175.700 0.30 1 299 66 90 GLY CA C 47.790 0.30 1 300 66 90 GLY N N 109.190 0.25 1 301 67 91 ARG H H 8.210 0.02 1 302 67 91 ARG C C 179.250 0.30 1 303 67 91 ARG CA C 59.660 0.30 1 304 67 91 ARG CB C 29.510 0.30 1 305 67 91 ARG N N 120.580 0.25 1 306 68 92 LEU H H 7.780 0.02 1 307 68 92 LEU C C 180.220 0.30 1 308 68 92 LEU CA C 57.580 0.30 1 309 68 92 LEU CB C 41.690 0.30 1 310 68 92 LEU N N 119.780 0.25 1 311 69 93 LEU H H 8.150 0.02 1 312 69 93 LEU C C 179.700 0.30 1 313 69 93 LEU CA C 57.970 0.30 1 314 69 93 LEU CB C 41.750 0.30 1 315 69 93 LEU N N 119.600 0.25 1 316 70 94 ALA H H 8.060 0.02 1 317 70 94 ALA C C 178.310 0.30 1 318 70 94 ALA CA C 56.020 0.30 1 319 70 94 ALA N N 118.590 0.25 1 320 71 95 ALA H H 8.300 0.02 1 321 71 95 ALA CA C 54.890 0.30 1 322 71 95 ALA N N 122.840 0.25 1 323 73 97 MET CA C 58.070 0.30 1 324 74 98 VAL H H 8.110 0.02 1 325 74 98 VAL C C 180.030 0.30 1 326 74 98 VAL CA C 65.400 0.30 1 327 74 98 VAL N N 117.140 0.25 1 328 75 99 ASN H H 8.090 0.02 1 329 75 99 ASN C C 177.990 0.30 1 330 75 99 ASN CA C 55.180 0.30 1 331 75 99 ASN CB C 38.420 0.30 1 332 75 99 ASN N N 117.820 0.25 1 333 76 100 GLY H H 8.400 0.02 1 334 76 100 GLY C C 175.350 0.30 1 335 76 100 GLY CA C 46.890 0.30 1 336 76 100 GLY N N 107.050 0.25 1 337 77 101 ILE H H 8.110 0.02 1 338 77 101 ILE C C 177.620 0.30 1 339 77 101 ILE CA C 64.040 0.30 1 340 77 101 ILE CB C 37.900 0.30 1 341 77 101 ILE N N 120.750 0.25 1 342 78 102 VAL H H 8.030 0.02 1 343 78 102 VAL C C 178.430 0.30 1 344 78 102 VAL CA C 65.680 0.30 1 345 78 102 VAL CB C 31.650 0.30 1 346 78 102 VAL N N 120.640 0.25 1 347 79 103 ILE H H 7.930 0.02 1 348 79 103 ILE C C 178.710 0.30 1 349 79 103 ILE CA C 64.060 0.30 1 350 79 103 ILE CB C 37.620 0.30 1 351 79 103 ILE N N 120.050 0.25 1 352 80 104 ALA H H 8.200 0.02 1 353 80 104 ALA C C 180.360 0.30 1 354 80 104 ALA CA C 54.730 0.30 1 355 80 104 ALA CB C 18.470 0.30 1 356 80 104 ALA N N 122.660 0.25 1 357 81 105 GLU H H 8.040 0.02 1 358 81 105 GLU CA C 57.400 0.30 1 359 81 105 GLU N N 114.170 0.25 1 360 82 106 ASP H H 8.270 0.02 1 361 82 106 ASP C C 179.620 0.30 1 362 82 106 ASP CA C 58.070 0.30 1 363 82 106 ASP CB C 39.410 0.30 1 364 82 106 ASP N N 118.550 0.25 1 365 83 107 ALA H H 8.400 0.02 1 366 83 107 ALA CA C 55.200 0.30 1 367 83 107 ALA CB C 18.250 0.30 1 368 83 107 ALA N N 120.590 0.25 1 369 84 108 LEU H H 8.140 0.02 1 370 84 108 LEU CA C 55.210 0.30 1 371 84 108 LEU N N 118.140 0.25 1 372 85 109 ILE H H 8.120 0.02 1 373 85 109 ILE C C 178.630 0.30 1 374 85 109 ILE CA C 64.390 0.30 1 375 85 109 ILE N N 118.170 0.25 1 376 86 110 ALA H H 8.140 0.02 1 377 86 110 ALA C C 180.270 0.30 1 378 86 110 ALA CA C 54.700 0.30 1 379 86 110 ALA CB C 18.330 0.30 1 380 86 110 ALA N N 121.680 0.25 1 381 87 111 GLU H H 8.080 0.02 1 382 87 111 GLU C C 177.360 0.30 1 383 87 111 GLU CA C 57.100 0.30 1 384 87 111 GLU CB C 28.520 0.30 1 385 87 111 GLU N N 115.090 0.25 1 386 88 112 ALA H H 8.080 0.02 1 387 88 112 ALA C C 178.890 0.30 1 388 88 112 ALA CA C 53.600 0.30 1 389 88 112 ALA CB C 18.990 0.30 1 390 88 112 ALA N N 120.180 0.25 1 391 89 113 VAL H H 8.040 0.02 1 392 89 113 VAL C C 177.630 0.30 1 393 89 113 VAL CA C 63.370 0.30 1 394 89 113 VAL N N 113.240 0.25 1 395 90 114 GLY H H 8.410 0.02 1 396 90 114 GLY CA C 47.230 0.30 1 397 90 114 GLY N N 109.600 0.25 1 398 91 115 PRO C C 179.600 0.30 1 399 91 115 PRO CA C 65.260 0.30 1 400 92 116 HIS H H 8.180 0.02 1 401 92 116 HIS C C 177.860 0.30 1 402 92 116 HIS CA C 57.790 0.30 1 403 92 116 HIS CB C 28.230 0.30 1 404 92 116 HIS N N 115.280 0.25 1 405 93 117 LEU H H 8.450 0.02 1 406 93 117 LEU C C 178.920 0.30 1 407 93 117 LEU CA C 57.910 0.30 1 408 93 117 LEU CB C 41.680 0.30 1 409 93 117 LEU N N 121.200 0.25 1 410 94 118 ALA H H 8.610 0.02 1 411 94 118 ALA C C 180.630 0.30 1 412 94 118 ALA CA C 55.760 0.30 1 413 94 118 ALA CB C 18.060 0.30 1 414 94 118 ALA N N 120.460 0.25 1 415 95 119 ARG H H 7.980 0.02 1 416 95 119 ARG C C 179.840 0.30 1 417 95 119 ARG CA C 59.090 0.30 1 418 95 119 ARG CB C 29.860 0.30 1 419 95 119 ARG N N 117.020 0.25 1 420 96 120 ALA H H 8.060 0.02 1 421 96 120 ALA C C 180.860 0.30 1 422 96 120 ALA CA C 55.070 0.30 1 423 96 120 ALA CB C 18.270 0.30 1 424 96 120 ALA N N 122.080 0.25 1 425 97 121 LEU H H 8.570 0.02 1 426 97 121 LEU C C 180.010 0.30 1 427 97 121 LEU CA C 57.810 0.30 1 428 97 121 LEU CB C 41.550 0.30 1 429 97 121 LEU N N 117.300 0.25 1 430 98 122 GLY H H 8.530 0.02 1 431 98 122 GLY C C 177.180 0.30 1 432 98 122 GLY CA C 47.640 0.30 1 433 98 122 GLY N N 106.150 0.25 1 434 99 123 GLN H H 8.110 0.02 1 435 99 123 GLN C C 179.580 0.30 1 436 99 123 GLN CA C 58.800 0.30 1 437 99 123 GLN CB C 28.440 0.30 1 438 99 123 GLN N N 120.750 0.25 1 439 100 124 ILE H H 8.090 0.02 1 440 100 124 ILE C C 178.58 0.30 1 441 100 124 ILE CA C 65.050 0.30 1 442 100 124 ILE CB C 38.240 0.30 1 443 100 124 ILE N N 120.100 0.25 1 444 101 125 VAL H H 8.490 0.02 1 445 101 125 VAL C C 179.140 0.30 1 446 101 125 VAL CA C 66.790 0.30 1 447 101 125 VAL CB C 31.210 0.30 1 448 101 125 VAL N N 118.780 0.25 1 449 102 126 SER H H 8.210 0.02 1 450 102 126 SER C C 177.040 0.30 1 451 102 126 SER CA C 61.650 0.30 1 452 102 126 SER CB C 62.970 0.30 1 453 102 126 SER N N 114.620 0.25 1 454 103 127 ARG H H 7.880 0.02 1 455 103 127 ARG C C 178.880 0.30 1 456 103 127 ARG CA C 58.270 0.30 1 457 103 127 ARG CB C 30.390 0.30 1 458 103 127 ARG N N 119.660 0.25 1 459 104 128 TYR H H 8.170 0.02 1 460 104 128 TYR C C 178.170 0.30 1 461 104 128 TYR CA C 59.150 0.30 1 462 104 128 TYR CB C 39.540 0.30 1 463 104 128 TYR N N 115.450 0.25 1 464 105 129 GLY H H 8.540 0.02 1 465 105 129 GLY C C 175.180 0.30 1 466 105 129 GLY CA C 47.500 0.30 1 467 105 129 GLY N N 109.280 0.25 1 468 106 130 ALA H H 8.410 0.02 1 469 106 130 ALA C C 179.590 0.30 1 470 106 130 ALA CA C 54.100 0.30 1 471 106 130 ALA CB C 18.670 0.30 1 472 106 130 ALA N N 121.220 0.25 1 473 107 131 THR H H 7.940 0.02 1 474 107 131 THR C C 176.240 0.30 1 475 107 131 THR CA C 63.600 0.30 1 476 107 131 THR CB C 69.260 0.30 1 477 107 131 THR N N 109.440 0.25 1 478 108 132 VAL H H 7.890 0.02 1 479 108 132 VAL C C 177.040 0.30 1 480 108 132 VAL CA C 64.210 0.30 1 481 108 132 VAL CB C 32.680 0.30 1 482 108 132 VAL N N 118.270 0.25 1 483 109 133 ILE H H 8.150 0.02 1 484 109 133 ILE CA C 63.710 0.30 1 485 109 133 ILE CB C 36.330 0.30 1 486 109 133 ILE N N 120.210 0.25 1 487 110 134 PRO C C 178.710 0.30 1 488 110 134 PRO CA C 65.070 0.30 1 489 110 134 PRO CB C 31.240 0.30 1 490 111 135 ASN H H 7.790 0.02 1 491 111 135 ASN C C 177.400 0.30 1 492 111 135 ASN CA C 54.840 0.30 1 493 111 135 ASN CB C 39.100 0.30 1 494 111 135 ASN N N 114.690 0.25 1 495 112 136 ILE H H 8.360 0.02 1 496 112 136 ILE C C 177.770 0.30 1 497 112 136 ILE CA C 64.330 0.30 1 498 112 136 ILE CB C 37.610 0.30 1 499 112 136 ILE N N 121.290 0.25 1 500 113 137 ASN H H 8.500 0.02 1 501 113 137 ASN C C 178.310 0.30 1 502 113 137 ASN CA C 56.450 0.30 1 503 113 137 ASN CB C 37.920 0.30 1 504 113 137 ASN N N 119.040 0.25 1 505 114 138 ALA H H 8.010 0.02 1 506 114 138 ALA C C 180.320 0.30 1 507 114 138 ALA CA C 54.630 0.30 1 508 114 138 ALA CB C 18.310 0.30 1 509 114 138 ALA N N 121.380 0.25 1 510 115 139 ALA H H 7.900 0.02 1 511 115 139 ALA C C 179.800 0.30 1 512 115 139 ALA CA C 54.820 0.30 1 513 115 139 ALA CB C 18.300 0.30 1 514 115 139 ALA N N 119.650 0.25 1 515 116 140 ILE H H 8.180 0.02 1 516 116 140 ILE C C 179.040 0.30 1 517 116 140 ILE CA C 64.540 0.30 1 518 116 140 ILE CB C 37.620 0.30 1 519 116 140 ILE N N 116.070 0.25 1 520 117 141 GLU H H 8.010 0.02 1 521 117 141 GLU C C 179.420 0.30 1 522 117 141 GLU CA C 58.700 0.30 1 523 117 141 GLU CB C 28.140 0.30 1 524 117 141 GLU N N 119.000 0.25 1 525 118 142 VAL H H 7.850 0.02 1 526 118 142 VAL C C 178.420 0.30 1 527 118 142 VAL CA C 64.840 0.30 1 528 118 142 VAL CB C 31.760 0.30 1 529 118 142 VAL N N 117.340 0.25 1 530 119 143 LEU H H 8.070 0.02 1 531 119 143 LEU C C 179.010 0.30 1 532 119 143 LEU CA C 56.680 0.30 1 533 119 143 LEU CB C 42.100 0.30 1 534 119 143 LEU N N 119.800 0.25 1 535 120 144 GLY H H 8.210 0.02 1 536 120 144 GLY C C 175.540 0.30 1 537 120 144 GLY CA C 45.990 0.30 1 538 120 144 GLY N N 105.230 0.25 1 539 121 145 THR H H 7.960 0.02 1 540 121 145 THR C C 176.490 0.30 1 541 121 145 THR CA C 62.830 0.30 1 542 121 145 THR CB C 69.670 0.30 1 543 121 145 THR N N 112.240 0.25 1 544 122 146 GLY H H 8.520 0.02 1 545 122 146 GLY C C 175.110 0.30 1 546 122 146 GLY CA C 45.850 0.30 1 547 122 146 GLY N N 110.450 0.25 1 548 123 147 THR H H 8.000 0.02 1 549 123 147 THR C C 175.060 0.30 1 550 123 147 THR CA C 61.980 0.30 1 551 123 147 THR CB C 69.590 0.30 1 552 123 147 THR N N 112.120 0.25 1 553 124 148 ASP H H 8.430 0.02 1 554 124 148 ASP C C 176.030 0.30 1 555 124 148 ASP CA C 53.740 0.30 1 556 124 148 ASP CB C 39.490 0.30 1 557 124 148 ASP N N 120.860 0.25 1 558 125 149 TYR H H 8.050 0.02 1 559 125 149 TYR C C 175.690 0.30 1 560 125 149 TYR CA C 58.210 0.30 1 561 125 149 TYR CB C 38.510 0.30 1 562 125 149 TYR N N 119.900 0.25 1 563 126 150 ARG H H 7.940 0.02 1 564 126 150 ARG C C 175.840 0.30 1 565 126 150 ARG CA C 55.450 0.30 1 566 126 150 ARG CB C 30.890 0.30 1 567 126 150 ARG N N 121.200 0.25 1 568 127 151 PHE H H 7.930 0.02 1 569 127 151 PHE CA C 57.850 0.30 1 570 127 151 PHE CB C 39.790 0.30 1 571 127 151 PHE N N 122.100 0.25 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $15N_Rv1761c-neutral_gel 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 _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value 1DHNN 25 MET N 25 MET H 0.12 $NMRPipe ? ? . . 1DHNN 26 SER N 26 SER H 0.61 $SPARKY ? ? . . 1DHNN 27 ASP N 27 ASP H 0.54 $xwinnmr ? ? . . 1DHNN 28 PHE N 28 PHE H -0.14 $xwinnmr ? ? . . 1DHNN 29 ASP N 29 ASP H -1.53 $xwinnmr ? ? . . 1DHNN 30 THR N 30 THR H -2.78 $xwinnmr ? ? . . 1DHNN 31 GLU N 31 GLU H -1.19 $xwinnmr ? ? . . 1DHNN 32 ARG N 32 ARG H -0.44 $xwinnmr ? ? . . 1DHNN 33 VAL N 33 VAL H -3.32 $xwinnmr ? ? . . 1DHNN 34 SER N 34 SER H -3.7 $xwinnmr ? ? . . 1DHNN 35 ARG N 35 ARG H -0.69 $xwinnmr ? ? . . 1DHNN 36 ALA N 36 ALA H -1.57 $xwinnmr ? ? . . 1DHNN 37 VAL N 37 VAL H -3.14 $xwinnmr ? ? . . 1DHNN 38 ALA N 38 ALA H -1.85 $xwinnmr ? ? . . 1DHNN 39 ALA N 39 ALA H 0.97 $xwinnmr ? ? . . 1DHNN 40 ALA N 40 ALA H -3.79 $xwinnmr ? ? . . 1DHNN 41 LEU N 41 LEU H -3.44 $xwinnmr ? ? . . 1DHNN 42 VAL N 42 VAL H 0.65 $xwinnmr ? ? . . 1DHNN 43 GLY N 43 GLY H 0.74 $xwinnmr ? ? . . 1DHNN 45 GLY N 45 GLY H 3.76 $xwinnmr ? ? . . 1DHNN 46 GLY N 46 GLY H 4.6 $xwinnmr ? ? . . 1DHNN 47 VAL N 47 VAL H 2.72 $xwinnmr ? ? . . 1DHNN 48 ALA N 48 ALA H 8.01 $xwinnmr ? ? . . 1DHNN 49 LEU N 49 LEU H 5.78 $xwinnmr ? ? . . 1DHNN 50 VAL N 50 VAL H 5.76 $xwinnmr ? ? . . 1DHNN 51 VAL N 51 VAL H 2.17 $xwinnmr ? ? . . 1DHNN 52 LYS N 52 LYS H 7.84 $xwinnmr ? ? . . 1DHNN 53 VAL N 53 VAL H 7.17 $xwinnmr ? ? . . 1DHNN 54 PHE N 54 PHE H 5.14 $xwinnmr ? ? . . 1DHNN 55 ALA N 55 ALA H 5.03 $xwinnmr ? ? . . 1DHNN 56 GLY N 56 GLY H 6.21 $xwinnmr ? ? . . 1DHNN 57 LEU N 57 LEU H 8.17 $xwinnmr ? ? . . 1DHNN 59 GLY N 59 GLY H 4.15 $xwinnmr ? ? . . 1DHNN 60 VAL N 60 VAL H 5.84 $xwinnmr ? ? . . 1DHNN 61 ILE N 61 ILE H 5.48 $xwinnmr ? ? . . 1DHNN 62 HIS N 62 HIS H -1.91 $xwinnmr ? ? . . 1DHNN 63 THR N 63 THR H -3.67 $xwinnmr ? ? . . 1DHNN 65 ALA N 65 ALA H -2.54 $xwinnmr ? ? . . 1DHNN 66 ARG N 66 ARG H -3.95 $xwinnmr ? ? . . 1DHNN 67 ARG N 67 ARG H -5.31 $xwinnmr ? ? . . 1DHNN 68 GLY N 68 GLY H -2.7 $xwinnmr ? ? . . 1DHNN 69 PHE N 69 PHE H -4.87 $xwinnmr ? ? . . 1DHNN 70 PHE N 70 PHE H -10.61 $xwinnmr ? ? . . 1DHNN 71 ARG N 71 ARG H -8.48 $xwinnmr ? ? . . 1DHNN 72 SER N 72 SER H -5.8 $xwinnmr ? ? . . 1DHNN 73 ASN N 73 ASN H -7.28 $xwinnmr ? ? . . 1DHNN 75 GLU N 75 GLU H -5.67 $xwinnmr ? ? . . 1DHNN 77 ILE N 77 ILE H -7.71 $xwinnmr ? ? . . 1DHNN 78 GLN N 78 GLN H -8.58 $xwinnmr ? ? . . 1DHNN 79 ILE N 79 ILE H -3.99 $xwinnmr ? ? . . 1DHNN 80 GLY N 80 GLY H 1.29 $xwinnmr ? ? . . 1DHNN 81 ASP N 81 ASP H -4.01 $xwinnmr ? ? . . 1DHNN 82 TRP N 82 TRP H -3.43 $xwinnmr ? ? . . 1DHNN 83 ARG N 83 ARG H 10.84 $xwinnmr ? ? . . 1DHNN 85 GLU N 85 GLU H 0.71 $xwinnmr ? ? . . 1DHNN 86 VAL N 86 VAL H 2.17 $xwinnmr ? ? . . 1DHNN 88 HIS N 88 HIS H 5.85 $xwinnmr ? ? . . 1DHNN 89 ASP N 89 ASP H 1.7 $xwinnmr ? ? . . 1DHNN 90 GLY N 90 GLY H 5.56 $xwinnmr ? ? . . 1DHNN 92 LEU N 92 LEU H 4.7 $xwinnmr ? ? . . 1DHNN 93 LEU N 93 LEU H 5.76 $xwinnmr ? ? . . 1DHNN 94 ALA N 94 ALA H -1.31 $xwinnmr ? ? . . 1DHNN 95 ALA N 95 ALA H 2.65 $xwinnmr ? ? . . 1DHNN 96 HIS N 96 HIS H -1.79 $xwinnmr ? ? . . 1DHNN 98 VAL N 98 VAL H 5.33 $xwinnmr ? ? . . 1DHNN 99 ASN N 99 ASN H -1.93 $xwinnmr ? ? . . 1DHNN 100 GLY N 100 GLY H 6.39 $xwinnmr ? ? . . 1DHNN 101 ILE N 101 ILE H 1.51 $xwinnmr ? ? . . 1DHNN 102 VAL N 102 VAL H 2.88 $xwinnmr ? ? . . 1DHNN 103 ILE N 103 ILE H 6.17 $xwinnmr ? ? . . 1DHNN 104 ALA N 104 ALA H 1.88 $xwinnmr ? ? . . 1DHNN 105 GLU N 105 GLU H 0.57 $xwinnmr ? ? . . 1DHNN 106 ASP N 106 ASP H 4.08 $xwinnmr ? ? . . 1DHNN 107 ALA N 107 ALA H 6.69 $xwinnmr ? ? . . 1DHNN 108 LEU N 108 LEU H 5.59 $xwinnmr ? ? . . 1DHNN 109 ILE N 109 ILE H -3.08 $xwinnmr ? ? . . 1DHNN 110 ALA N 110 ALA H 2.51 $xwinnmr ? ? . . 1DHNN 111 GLU N 111 GLU H 1.81 $xwinnmr ? ? . . 1DHNN 113 VAL N 113 VAL H -1.96 $xwinnmr ? ? . . 1DHNN 114 GLY N 114 GLY H 2.13 $xwinnmr ? ? . . 1DHNN 117 LEU N 117 LEU H -3.93 $xwinnmr ? ? . . 1DHNN 118 ALA N 118 ALA H 0.96 $xwinnmr ? ? . . 1DHNN 119 ARG N 119 ARG H 2.45 $xwinnmr ? ? . . 1DHNN 120 ALA N 120 ALA H -2.42 $xwinnmr ? ? . . 1DHNN 121 LEU N 121 LEU H -1.14 $xwinnmr ? ? . . 1DHNN 122 GLY N 122 GLY H 2.44 $xwinnmr ? ? . . 1DHNN 124 ILE N 124 ILE H -1.54 $xwinnmr ? ? . . 1DHNN 125 VAL N 125 VAL H 1.15 $xwinnmr ? ? . . 1DHNN 126 SER N 126 SER H 3.13 $xwinnmr ? ? . . 1DHNN 127 ARG N 127 ARG H 0.2 $xwinnmr ? ? . . 1DHNN 128 TYR N 128 TYR H -1.56 $xwinnmr ? ? . . 1DHNN 129 GLY N 129 GLY H 3.48 $xwinnmr ? ? . . 1DHNN 130 ALA N 130 ALA H 1.24 $xwinnmr ? ? . . 1DHNN 131 THR N 131 THR H 2.9 $xwinnmr ? ? . . 1DHNN 132 VAL N 132 VAL H 2.79 $xwinnmr ? ? . . 1DHNN 133 ILE N 133 ILE H -0.12 $xwinnmr ? ? . . 1DHNN 135 ASN N 135 ASN H 2.77 $xwinnmr ? ? . . 1DHNN 136 ILE N 136 ILE H 1.27 $xwinnmr ? ? . . 1DHNN 137 ASN N 137 ASN H -2.33 $xwinnmr ? ? . . 1DHNN 138 ALA N 138 ALA H 0.12 $xwinnmr ? ? . . 1DHNN 139 ALA N 139 ALA H 2.01 $xwinnmr ? ? . . 1DHNN 140 ILE N 140 ILE H -1.32 $xwinnmr ? ? . . 1DHNN 141 GLU N 141 GLU H -2.95 $xwinnmr ? ? . . 1DHNN 142 VAL N 142 VAL H 1.49 $xwinnmr ? ? . . 1DHNN 143 LEU N 143 LEU H 0.59 $xwinnmr ? ? . . 1DHNN 144 GLY N 144 GLY H -3.27 $xwinnmr ? ? . . 1DHNN 145 THR N 145 THR H -0.27 $xwinnmr ? ? . . 1DHNN 146 GLY N 146 GLY H 0.16 $xwinnmr ? ? . . 1DHNN 147 THR N 147 THR H -1 $xwinnmr ? ? . . 1DHNN 148 ASP N 148 ASP H 0.58 $xwinnmr ? ? . . 1DHNN 149 TYR N 149 TYR H -0.38 $xwinnmr ? ? . . 1DHNN 150 ARG N 150 ARG H -0.11 $xwinnmr ? ? . . 1DHNN 151 PHE N 151 PHE H -0.19 $xwinnmr ? ? . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_ save_RDC_list_2 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $15N_Rv1761c-charged_gel 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 _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value 1DHNN 25 MET N 25 MET H 0.36 $NMRPipe ? ? . . 1DHNN 26 SER N 26 SER H 0.74 $SPARKY ? ? . . 1DHNN 27 ASP N 27 ASP H 0.57 $xwinnmr ? ? . . 1DHNN 28 PHE N 28 PHE H 0.39 $xwinnmr ? ? . . 1DHNN 29 ASP N 29 ASP H 0.1 $xwinnmr ? ? . . 1DHNN 30 THR N 30 THR H 0.82 $xwinnmr ? ? . . 1DHNN 31 GLU N 31 GLU H -0.22 $xwinnmr ? ? . . 1DHNN 33 VAL N 33 VAL H 0.74 $xwinnmr ? ? . . 1DHNN 34 SER N 34 SER H -0.38 $xwinnmr ? ? . . 1DHNN 36 ALA N 36 ALA H 3.25 $xwinnmr ? ? . . 1DHNN 38 ALA N 38 ALA H -0.67 $xwinnmr ? ? . . 1DHNN 39 ALA N 39 ALA H 1.5 $xwinnmr ? ? . . 1DHNN 40 ALA N 40 ALA H 2.64 $xwinnmr ? ? . . 1DHNN 41 LEU N 41 LEU H -0.66 $xwinnmr ? ? . . 1DHNN 42 VAL N 42 VAL H -0.71 $xwinnmr ? ? . . 1DHNN 43 GLY N 43 GLY H 1.64 $xwinnmr ? ? . . 1DHNN 45 GLY N 45 GLY H -2.27 $xwinnmr ? ? . . 1DHNN 46 GLY N 46 GLY H -1.33 $xwinnmr ? ? . . 1DHNN 49 LEU N 49 LEU H -3.32 $xwinnmr ? ? . . 1DHNN 50 VAL N 50 VAL H -0.94 $xwinnmr ? ? . . 1DHNN 51 VAL N 51 VAL H -0.45 $xwinnmr ? ? . . 1DHNN 52 LYS N 52 LYS H -4.44 $xwinnmr ? ? . . 1DHNN 53 VAL N 53 VAL H -3.18 $xwinnmr ? ? . . 1DHNN 54 PHE N 54 PHE H -1.53 $xwinnmr ? ? . . 1DHNN 55 ALA N 55 ALA H -1.18 $xwinnmr ? ? . . 1DHNN 56 GLY N 56 GLY H -4.74 $xwinnmr ? ? . . 1DHNN 57 LEU N 57 LEU H -0.57 $xwinnmr ? ? . . 1DHNN 59 GLY N 59 GLY H -0.55 $xwinnmr ? ? . . 1DHNN 60 VAL N 60 VAL H 0.37 $xwinnmr ? ? . . 1DHNN 61 ILE N 61 ILE H 2.17 $xwinnmr ? ? . . 1DHNN 62 HIS N 62 HIS H 3.52 $xwinnmr ? ? . . 1DHNN 63 THR N 63 THR H 0.12 $xwinnmr ? ? . . 1DHNN 65 ALA N 65 ALA H 2.9 $xwinnmr ? ? . . 1DHNN 66 ARG N 66 ARG H 1.08 $xwinnmr ? ? . . 1DHNN 67 ARG N 67 ARG H 0.38 $xwinnmr ? ? . . 1DHNN 68 GLY N 68 GLY H 1.36 $xwinnmr ? ? . . 1DHNN 69 PHE N 69 PHE H 2.64 $xwinnmr ? ? . . 1DHNN 70 PHE N 70 PHE H 1.68 $xwinnmr ? ? . . 1DHNN 71 ARG N 71 ARG H 1.54 $xwinnmr ? ? . . 1DHNN 72 SER N 72 SER H 0.34 $xwinnmr ? ? . . 1DHNN 73 ASN N 73 ASN H -0.29 $xwinnmr ? ? . . 1DHNN 75 GLU N 75 GLU H -0.05 $xwinnmr ? ? . . 1DHNN 77 ILE N 77 ILE H 0.93 $xwinnmr ? ? . . 1DHNN 78 GLN N 78 GLN H 1.58 $xwinnmr ? ? . . 1DHNN 79 ILE N 79 ILE H 2.22 $xwinnmr ? ? . . 1DHNN 80 GLY N 80 GLY H 1.14 $xwinnmr ? ? . . 1DHNN 81 ASP N 81 ASP H 0.86 $xwinnmr ? ? . . 1DHNN 82 TRP N 82 TRP H 3.95 $xwinnmr ? ? . . 1DHNN 83 ARG N 83 ARG H 2.48 $xwinnmr ? ? . . 1DHNN 84 TYR N 84 TYR H -0.52 $xwinnmr ? ? . . 1DHNN 85 GLU N 85 GLU H 4.57 $xwinnmr ? ? . . 1DHNN 86 VAL N 86 VAL H 5.64 $xwinnmr ? ? . . 1DHNN 87 ALA N 87 ALA H 4.61 $xwinnmr ? ? . . 1DHNN 88 HIS N 88 HIS H 4.19 $xwinnmr ? ? . . 1DHNN 89 ASP N 89 ASP H 5.7 $xwinnmr ? ? . . 1DHNN 90 GLY N 90 GLY H 2.31 $xwinnmr ? ? . . 1DHNN 92 LEU N 92 LEU H 5.37 $xwinnmr ? ? . . 1DHNN 93 LEU N 93 LEU H 6.85 $xwinnmr ? ? . . 1DHNN 94 ALA N 94 ALA H -5.94 $xwinnmr ? ? . . 1DHNN 95 ALA N 95 ALA H -0.24 $xwinnmr ? ? . . 1DHNN 99 ASN N 99 ASN H -5.31 $xwinnmr ? ? . . 1DHNN 100 GLY N 100 GLY H 0.68 $xwinnmr ? ? . . 1DHNN 102 VAL N 102 VAL H -2.4 $xwinnmr ? ? . . 1DHNN 104 ALA N 104 ALA H -1.73 $xwinnmr ? ? . . 1DHNN 105 GLU N 105 GLU H 3.98 $xwinnmr ? ? . . 1DHNN 106 ASP N 106 ASP H 1.48 $xwinnmr ? ? . . 1DHNN 107 ALA N 107 ALA H 0.02 $xwinnmr ? ? . . 1DHNN 108 LEU N 108 LEU H 2.66 $xwinnmr ? ? . . 1DHNN 110 ALA N 110 ALA H 1.09 $xwinnmr ? ? . . 1DHNN 111 GLU N 111 GLU H -0.55 $xwinnmr ? ? . . 1DHNN 112 ALA N 112 ALA H -2.04 $xwinnmr ? ? . . 1DHNN 113 VAL N 113 VAL H -4.6 $xwinnmr ? ? . . 1DHNN 114 GLY N 114 GLY H 5.08 $xwinnmr ? ? . . 1DHNN 117 LEU N 117 LEU H 2.96 $xwinnmr ? ? . . 1DHNN 118 ALA N 118 ALA H 5.83 $xwinnmr ? ? . . 1DHNN 119 ARG N 119 ARG H 6.2 $xwinnmr ? ? . . 1DHNN 120 ALA N 120 ALA H 4.52 $xwinnmr ? ? . . 1DHNN 121 LEU N 121 LEU H 6.95 $xwinnmr ? ? . . 1DHNN 122 GLY N 122 GLY H 5.39 $xwinnmr ? ? . . 1DHNN 125 VAL N 125 VAL H 4.01 $xwinnmr ? ? . . 1DHNN 126 SER N 126 SER H 5.76 $xwinnmr ? ? . . 1DHNN 127 ARG N 127 ARG H 6.15 $xwinnmr ? ? . . 1DHNN 128 TYR N 128 TYR H 5.94 $xwinnmr ? ? . . 1DHNN 129 GLY N 129 GLY H -0.54 $xwinnmr ? ? . . 1DHNN 130 ALA N 130 ALA H -1.65 $xwinnmr ? ? . . 1DHNN 131 THR N 131 THR H 2.65 $xwinnmr ? ? . . 1DHNN 132 VAL N 132 VAL H -0.8 $xwinnmr ? ? . . 1DHNN 133 ILE N 133 ILE H -4.81 $xwinnmr ? ? . . 1DHNN 135 ASN N 135 ASN H -0.94 $xwinnmr ? ? . . 1DHNN 136 ILE N 136 ILE H -6.31 $xwinnmr ? ? . . 1DHNN 137 ASN N 137 ASN H -5.33 $xwinnmr ? ? . . 1DHNN 138 ALA N 138 ALA H -2.96 $xwinnmr ? ? . . 1DHNN 139 ALA N 139 ALA H -1.92 $xwinnmr ? ? . . 1DHNN 140 ILE N 140 ILE H -4.13 $xwinnmr ? ? . . 1DHNN 141 GLU N 141 GLU H -3.27 $xwinnmr ? ? . . 1DHNN 142 VAL N 142 VAL H -1.64 $xwinnmr ? ? . . 1DHNN 144 GLY N 144 GLY H -3 $xwinnmr ? ? . . 1DHNN 145 THR N 145 THR H -0.84 $xwinnmr ? ? . . 1DHNN 146 GLY N 146 GLY H -0.37 $xwinnmr ? ? . . 1DHNN 147 THR N 147 THR H -0.6 $xwinnmr ? ? . . 1DHNN 148 ASP N 148 ASP H -0.53 $xwinnmr ? ? . . 1DHNN 149 TYR N 149 TYR H -0.65 $xwinnmr ? ? . . 1DHNN 150 ARG N 150 ARG H 0.11 $xwinnmr ? ? . . 1DHNN 151 PHE N 151 PHE H 0.24 $xwinnmr ? ? . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_