data_16199 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structures of butyryl-ACP (a non-polar, non pathway intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor ; _BMRB_accession_number 16199 _BMRB_flat_file_name bmr16199.str _Entry_type original _Submission_date 2009-03-07 _Accession_date 2009-03-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Ensemble of 20 structures of butyrylated act ACP. Malonyl ACP was synthesized using Malonyl CoA (12C,14N) and holosynthase to load the acylated 4'phosphopantetheine chain onto the ACP. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Crump Matthew P. . 2 Evans Simon E. . 3 Williams Christopher . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 483 "13C chemical shifts" 361 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-10-05 update BMRB 'update the assembly, add ligand, etc.' 2010-05-27 update BMRB 'edit entity/assembly name' 2009-05-27 update BMRB 'complete entry citation' 2009-04-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15658 '1H, 13C and 15N NMR assignments for holo ACP from the actinorhodin polyketide synthase of Streptomyces coelicolor' 15659 '1H, 13C and 15N NMR assignments for apo ACP from the actinorhodin polyketide synthase of Streptomyces coelicolor' 16196 '1H, 13C and 15N NMR assignments for acetyl ACP from the actinorhodin polyketide synthase of Streptomyces coelicolor' 16197 '1H, 13C and 15N NMR assignments for malonyl ACP from the actinorhodin polyketide synthase of Streptomyces coelicolor' 16200 'NMR Solution Structures of hexanoyl ACP (a non natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor' 16201 '1H, 13C and 15N NMR assignments for octanoyl ACP from the actinorhodin polyketide synthase of Streptomyces coelicolor' 16202 '1H, 13C and 15N NMR assignments for 3-xoxbutyl ACP from the actinorhodin polyketide synthase of Streptomyces coelicolor' 16203 'Probing the interactions of early polyketide intermediates with the actinorhodin ACP from S. coelicolor A3(2)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Probing the interactions of early polyketide intermediates with the actinorhodin ACP from S. coelicolor A3(2)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19361520 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Evans Simon E. . 2 Williams Christopher . . 3 Arthur Christopher J. . 4 Ploskon Eliza . . 5 Wattana-Amorn Pakorn . . 6 Cox Russell J. . 7 Crosby John . . 8 Willis Christine L. . 9 Simpson Thomas J. . 10 Crump Matthew P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 389 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 511 _Page_last 528 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name butyryl-ACP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label butyryl-ACP $entity PSR $entity_PSR 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common butyryl-ACP _Molecular_mass 9133.160 _Mol_thiol_state 'not present' loop_ _Biological_function 'Acyl Carrier Protein from the Actinorhodin Polyketide Pathway' stop_ _Details 'The 42nd residue, SXB is 4'-phosphopantetheine_acylated_with_a_butyryl_group' ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; MATLLTTDDLRRALVESAGE TDGTDLSGDFLDLRFEDIGY DSLALMETAARLESRYGVSI PDDVAGRVDTPRELLDLING ALAEAA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 LEU 5 LEU 6 THR 7 THR 8 ASP 9 ASP 10 LEU 11 ARG 12 ARG 13 ALA 14 LEU 15 VAL 16 GLU 17 SER 18 ALA 19 GLY 20 GLU 21 THR 22 ASP 23 GLY 24 THR 25 ASP 26 LEU 27 SER 28 GLY 29 ASP 30 PHE 31 LEU 32 ASP 33 LEU 34 ARG 35 PHE 36 GLU 37 ASP 38 ILE 39 GLY 40 TYR 41 ASP 42 SER 43 LEU 44 ALA 45 LEU 46 MET 47 GLU 48 THR 49 ALA 50 ALA 51 ARG 52 LEU 53 GLU 54 SER 55 ARG 56 TYR 57 GLY 58 VAL 59 SER 60 ILE 61 PRO 62 ASP 63 ASP 64 VAL 65 ALA 66 GLY 67 ARG 68 VAL 69 ASP 70 THR 71 PRO 72 ARG 73 GLU 74 LEU 75 LEU 76 ASP 77 LEU 78 ILE 79 ASN 80 GLY 81 ALA 82 LEU 83 ALA 84 GLU 85 ALA 86 ALA 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 BMRB 15658 act_holo-acp 100.00 86 100.00 100.00 1.16e-49 BMRB 15659 act_ACP 100.00 86 100.00 100.00 1.16e-49 BMRB 16196 "acetyl Actinorhodin Acyl Carrier" 100.00 86 100.00 100.00 1.16e-49 BMRB 16197 "malonyl ACP" 100.00 86 100.00 100.00 1.16e-49 BMRB 16200 "hexanoyl ACP" 100.00 86 100.00 100.00 1.16e-49 BMRB 16201 "octanoyl ACP" 100.00 86 100.00 100.00 1.16e-49 BMRB 16202 3-oxo-butyl-ACP 100.00 86 100.00 100.00 1.16e-49 BMRB 16203 "3,5-dioxohexyl ACP" 100.00 86 100.00 100.00 1.16e-49 BMRB 25284 entity 100.00 86 100.00 100.00 1.16e-49 BMRB 25287 entity 100.00 86 100.00 100.00 1.16e-49 PDB 1AF8 "Actinorhodin Polyketide Synthase Acyl Carrier Protein From Streptomyces Coelicolor A3(2), Nmr, 24 Structures" 100.00 86 98.84 98.84 4.73e-49 PDB 2AF8 "Actinorhodin Polyketide Synthase Acyl Carrier Protein From Streptomyces Coelicolor A3(2), Nmr, Minimized Average Structure" 100.00 86 98.84 98.84 4.73e-49 PDB 2K0X "The Actinorhodin Holo Acyl Carrier Protein From S. Coelicolor" 100.00 86 100.00 100.00 1.16e-49 PDB 2K0Y "The Actinorhodin Apo Acyl Carrier Protein From S. Coelicolor" 100.00 86 100.00 100.00 1.16e-49 PDB 2KG6 "Solution Structure Of The Acetyl Actinorhodin Acyl Carrier Protein From Streptomyces Coelicolor" 100.00 86 100.00 100.00 1.16e-49 PDB 2KG8 "Nmr Solution Structures Of Malonyl Acp From The Actinorhodin Polyketide Synthase In Streptomyces Coelicolor" 100.00 86 100.00 100.00 1.16e-49 PDB 2KG9 "Nmr Solution Structures Of Butyryl-Acp (A Non-Polar, Non Pathway Intermediate) From The Actinorhodin Polyketide Synthase In Str" 100.00 86 100.00 100.00 1.16e-49 PDB 2KGA "Nmr Solution Structures Of Hexanoyl Acp (A Non Natural Intermediate) From The Actinorhodin Polyketide Synthase In Streptomyces " 100.00 86 100.00 100.00 1.16e-49 PDB 2KGC "Nmr Solution Structures Of Octanoyl Acp (A Non-Natural Intermediate) From The Actinorhodin Polyketide Synthase In Streptomyces " 100.00 86 100.00 100.00 1.16e-49 PDB 2KGD "Nmr Solution Structures Of 3-Oxo-Butyl-Acp, An Intermediate Mimic From The Actinorhodin Polyketide Synthase In Streptomyces Coe" 100.00 86 100.00 100.00 1.16e-49 PDB 2KGE "Nmr Solution Structures Of 3,5-Dioxohexyl Acp (A Triketide Mimic) From The Actinorhodin Polyketide Synthase In Streptomyces Coe" 100.00 86 100.00 100.00 1.16e-49 PDB 2MVU "Solution Structure Of The 3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein From Streptomyces Coelicolor" 100.00 86 100.00 100.00 1.16e-49 PDB 2MVV "Solution Structure Of The 5-phenyl-3-oxo-pentyl Actinorhodin Acyl Carrier Protein From Streptomyces Coelicolor" 100.00 86 100.00 100.00 1.16e-49 EMBL CAA45045 "Acyl carrier protein [Streptomyces coelicolor A3(2)]" 100.00 86 98.84 98.84 4.73e-49 EMBL CAC44202 "actinorhodin polyketide synthase acyl carrier protein [Streptomyces coelicolor A3(2)]" 100.00 86 98.84 98.84 4.73e-49 GB AIJ13577 "actinorhodin polyketide synthase ACP [Streptomyces lividans TK24]" 100.00 86 98.84 98.84 4.73e-49 GB EFD66960 "acyl carrier protein [Streptomyces lividans TK24]" 100.00 86 98.84 98.84 4.73e-49 GB EOY50075 "Acyl carrier protein [Streptomyces lividans 1326]" 100.00 86 98.84 98.84 4.73e-49 GB KKD13304 "actinorhodin polyketide synthase acyl carrier protein [Streptomyces sp. WM6391]" 100.00 86 98.84 98.84 4.73e-49 REF NP_629239 "actinorhodin polyketide synthase ACP [Streptomyces coelicolor A3(2)]" 100.00 86 98.84 98.84 4.73e-49 REF WP_003973889 "MULTISPECIES: actinorhodin polyketide synthase [Streptomyces]" 100.00 86 98.84 98.84 4.73e-49 SP Q02054 "RecName: Full=Actinorhodin polyketide synthase acyl carrier protein; Short=ACP; AltName: Full=actI ORF3" 100.00 86 98.84 98.84 4.73e-49 stop_ save_ ############# # Ligands # ############# save_PSR _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER' _BMRB_code PSR _PDB_code PSR _Molecular_mass 428.438 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O23 O23 O . 0 . ? P24 P24 P . 0 . ? O25 O25 O . 0 . ? O26 O26 O . 0 . ? O27 O27 O . 0 . ? C28 C28 C . 0 . ? C29 C29 C . 0 . ? C30 C30 C . 0 . ? C31 C31 C . 0 . ? C32 C32 C . 0 . ? O33 O33 O . 0 . ? C34 C34 C . 0 . ? O35 O35 O . 0 . ? N36 N36 N . 0 . ? C37 C37 C . 0 . ? C38 C38 C . 0 . ? C39 C39 C . 0 . ? O40 O40 O . 0 . ? N41 N41 N . 0 . ? C42 C42 C . 0 . ? C43 C43 C . 0 . ? S1 S1 S . 0 . ? C1 C1 C . 0 . ? O1 O1 O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? H231 H231 H . 0 . ? H261 H261 H . 0 . ? H281 H281 H . 0 . ? H282 H282 H . 0 . ? H301 H301 H . 0 . ? H302 H302 H . 0 . ? H303 H303 H . 0 . ? H311 H311 H . 0 . ? H312 H312 H . 0 . ? H313 H313 H . 0 . ? H321 H321 H . 0 . ? H331 H331 H . 0 . ? H361 H361 H . 0 . ? H371 H371 H . 0 . ? H372 H372 H . 0 . ? H381 H381 H . 0 . ? H382 H382 H . 0 . ? H411 H411 H . 0 . ? H421 H421 H . 0 . ? H422 H422 H . 0 . ? H431 H431 H . 0 . ? H432 H432 H . 0 . ? HC21 HC21 H . 0 . ? HC22 HC22 H . 0 . ? HC31 HC31 H . 0 . ? HC32 HC32 H . 0 . ? HC41 HC41 H . 0 . ? HC42 HC42 H . 0 . ? HC43 HC43 H . 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 O23 P24 ? ? SING O23 H231 ? ? DOUB P24 O25 ? ? SING P24 O26 ? ? SING P24 O27 ? ? SING O26 H261 ? ? SING O27 C28 ? ? SING C28 C29 ? ? SING C28 H281 ? ? SING C28 H282 ? ? SING C29 C30 ? ? SING C29 C31 ? ? SING C29 C32 ? ? SING C30 H301 ? ? SING C30 H302 ? ? SING C30 H303 ? ? SING C31 H311 ? ? SING C31 H312 ? ? SING C31 H313 ? ? SING C32 O33 ? ? SING C32 C34 ? ? SING C32 H321 ? ? SING O33 H331 ? ? DOUB C34 O35 ? ? SING C34 N36 ? ? SING N36 C37 ? ? SING N36 H361 ? ? SING C37 C38 ? ? SING C37 H371 ? ? SING C37 H372 ? ? SING C38 C39 ? ? SING C38 H381 ? ? SING C38 H382 ? ? DOUB C39 O40 ? ? SING C39 N41 ? ? SING N41 C42 ? ? SING N41 H411 ? ? SING C42 C43 ? ? SING C42 H421 ? ? SING C42 H422 ? ? SING C43 S1 ? ? SING C43 H431 ? ? SING C43 H432 ? ? SING S1 C1 ? ? DOUB C1 O1 ? ? SING C1 C2 ? ? SING C2 C3 ? ? SING C2 HC21 ? ? SING C2 HC22 ? ? SING C3 C4 ? ? SING C3 HC31 ? ? SING C3 HC32 ? ? SING C4 HC41 ? ? SING C4 HC42 ? ? SING C4 HC43 ? ? 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 $entity 'Streptomyces coelicolor' 1902 Bacteria . Streptomyces coelicolor A3(2) actI stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $entity 'recombinant technology' . Escherichia coli BL21 DE3 pET11c 'Actinorhodin acyl carrier protein (act ACP) from S. coelicolor was heterologously overexpressed in its apo form in E. coli BL21 (DE3) cells. These cells contained the plasmid pET11c C17S act ACP (courtesy of Dr. Tom Nicholson). This IPTG inducible vector is both easier to use and more reliable than the heat inducible pT7-7 version originally constructed.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_labelled_Sample _Saveframe_category sample _Sample_type solution _Details 'Samples were 1mM NaN3, 5%/95% D2O/H2O in 600μL potassium phosphate buffer (20mM, pH 5.5) and 1-2mM derivatised ACP. The 4'-PP sidechain and butyryl group were not isotopically enriched' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 1 2 '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 20 mM . . 'natural abundance' 'sodium azide' 1 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Analysis_(CCPN) _Saveframe_category software _Name Analysis_(CCPN) _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Rasmus H. Fogh, Wim F. Vranken, Wayne Boucher, Tim J. Stevens and Ernest D. Laue' ; Department of Biochemistry, University of Cambridge, Cambridge, CB2 1GA, UK; bMacromolecular Structure Database, European Bioinformatics Institute, Hinxton, Cambridge, CB10 1SD, UK ; . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details 'Peak assignment and analysis software' save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details 'Structure calculation using ambiguous and unambiguous restraints' save_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Equipped with a triple resonance probe and XYZ PFGs.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C_15N_labelled_Sample save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N_labelled_Sample save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C_15N_labelled_Sample save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N_labelled_Sample save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N_labelled_Sample save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $13C_15N_labelled_Sample save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_15N_labelled_Sample save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $13C_15N_labelled_Sample save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C_15N_labelled_Sample save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C_15N_labelled_Sample save_ save_2D_13C,15N_filtered_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N filtered NOESY' _Sample_label $13C_15N_labelled_Sample save_ save_2D_13C,15N_filtered_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N filtered TOCSY' _Sample_label $13C_15N_labelled_Sample save_ save_2D_F2-13C_filtered_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F2-13C filtered NOESY' _Sample_label $13C_15N_labelled_Sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.2 pH pH 5.5 . pH pressure 1 . atm temperature 298 0.2 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label water C 13 protons ppm 4.78 internal indirect . . . 0.251449530 $entry_citation $entry_citation water H 1 protons ppm 4.78 internal direct . . . 1 $entry_citation $entry_citation water N 15 protons ppm 4.78 internal indirect . . . 0.101329118 $entry_citation $entry_citation 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '2D 13C,15N filtered NOESY' '2D 13C,15N filtered TOCSY' stop_ loop_ _Sample_label $13C_15N_labelled_Sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name butyryl-ACP _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 2 2 ALA HA H 4.292 0 1 2 2 2 ALA HB H 1.659 0 1 3 2 2 ALA C C 173.683 0 1 4 2 2 ALA CA C 51.984 0 1 5 2 2 ALA CB C 20.171 0 1 6 3 3 THR H H 8.669 0 1 7 3 3 THR HA H 4.400 0 1 8 3 3 THR HB H 4.194 0 1 9 3 3 THR HG2 H 1.388 0 1 10 3 3 THR C C 172.905 0 1 11 3 3 THR CA C 62.728 0 1 12 3 3 THR CB C 70.019 0 1 13 3 3 THR CG2 C 22.014 0 1 14 3 3 THR N N 117.548 0 1 15 4 4 LEU H H 8.151 0 1 16 4 4 LEU HA H 4.370 0 1 17 4 4 LEU HB2 H 1.619 0 2 18 4 4 LEU HB3 H 1.490 0 2 19 4 4 LEU HD1 H 0.897 0 2 20 4 4 LEU HD2 H 0.967 0 2 21 4 4 LEU HG H 1.720 0 1 22 4 4 LEU C C 177.229 0 1 23 4 4 LEU CA C 54.851 0 1 24 4 4 LEU CB C 42.681 0 1 25 4 4 LEU CD1 C 23.640 0 2 26 4 4 LEU CD2 C 25.224 0 2 27 4 4 LEU CG C 27.348 0 1 28 4 4 LEU N N 124.461 0 1 29 5 5 LEU H H 9.428 0 1 30 5 5 LEU HA H 4.547 0 1 31 5 5 LEU HB2 H 1.588 0 2 32 5 5 LEU HB3 H 1.385 0 2 33 5 5 LEU HD1 H 0.610 0 2 34 5 5 LEU HD2 H 0.646 0 2 35 5 5 LEU HG H 1.570 0 1 36 5 5 LEU C C 177.923 0 1 37 5 5 LEU CA C 55.432 0 1 38 5 5 LEU CB C 42.830 0 1 39 5 5 LEU CD1 C 25.485 0 2 40 5 5 LEU CD2 C 25.486 0 2 41 5 5 LEU CG C 27.701 0 1 42 5 5 LEU N N 124.471 0 1 43 6 6 THR H H 9.047 0 1 44 6 6 THR HA H 4.783 0 1 45 6 6 THR HB H 4.858 0 1 46 6 6 THR HG2 H 1.421 0 1 47 6 6 THR C C 175.945 0 1 48 6 6 THR CA C 60.051 0 1 49 6 6 THR CB C 72.580 0 1 50 6 6 THR CG2 C 21.690 0 1 51 6 6 THR N N 114.652 0 1 52 7 7 THR H H 8.834 0 1 53 7 7 THR HA H 3.876 0 1 54 7 7 THR HB H 4.325 0 1 55 7 7 THR HG2 H 1.393 0 1 56 7 7 THR C C 176.535 0 1 57 7 7 THR CA C 67.247 0 1 58 7 7 THR CB C 68.547 0 1 59 7 7 THR CG2 C 23.514 0 1 60 7 7 THR N N 115.463 0 1 61 8 8 ASP H H 8.238 0 1 62 8 8 ASP HA H 4.630 0 1 63 8 8 ASP HB2 H 2.718 0 2 64 8 8 ASP HB3 H 2.718 0 2 65 8 8 ASP C C 178.519 0 1 66 8 8 ASP CA C 57.829 0 1 67 8 8 ASP CB C 41.331 0 1 68 8 8 ASP N N 119.917 0 1 69 9 9 ASP H H 7.891 0 1 70 9 9 ASP HA H 4.559 0 1 71 9 9 ASP HB2 H 3.041 0 2 72 9 9 ASP HB3 H 2.699 0 2 73 9 9 ASP C C 179.382 0 1 74 9 9 ASP CA C 57.752 0 1 75 9 9 ASP CB C 41.486 0 1 76 9 9 ASP N N 120.307 0 1 77 10 10 LEU H H 8.059 0 1 78 10 10 LEU HA H 4.221 0 1 79 10 10 LEU HB2 H 2.335 0 2 80 10 10 LEU HB3 H 1.581 0 2 81 10 10 LEU HD1 H 1.052 0 2 82 10 10 LEU HD2 H 1.137 0 2 83 10 10 LEU HG H 1.899 0 1 84 10 10 LEU C C 177.462 0 1 85 10 10 LEU CA C 57.958 0 1 86 10 10 LEU CB C 42.066 0 1 87 10 10 LEU CD1 C 23.691 0 2 88 10 10 LEU CD2 C 28.027 0 2 89 10 10 LEU CG C 27.441 0 1 90 10 10 LEU N N 121.229 0 1 91 11 11 ARG H H 8.832 0 1 92 11 11 ARG HA H 3.549 0 1 93 11 11 ARG HB2 H 2.060 0 2 94 11 11 ARG HB3 H 2.060 0 2 95 11 11 ARG HD2 H 3.228 0 2 96 11 11 ARG HD3 H 3.205 0 2 97 11 11 ARG HE H 7.326 0 1 98 11 11 ARG HG2 H 1.418 0 2 99 11 11 ARG HG3 H 1.195 0 2 100 11 11 ARG C C 177.704 0 1 101 11 11 ARG CA C 60.687 0 1 102 11 11 ARG CB C 30.605 0 1 103 11 11 ARG CD C 43.581 0 1 104 11 11 ARG CG C 27.510 0 1 105 11 11 ARG CZ C 159.522 0 1 106 11 11 ARG N N 119.757 0 1 107 11 11 ARG NE N 83.604 0 1 108 12 12 ARG H H 7.986 0 1 109 12 12 ARG HA H 4.043 0 1 110 12 12 ARG HB2 H 2.038 0 2 111 12 12 ARG HB3 H 2.038 0 2 112 12 12 ARG HD2 H 3.376 0 2 113 12 12 ARG HD3 H 3.324 0 2 114 12 12 ARG HE H 7.514 0 1 115 12 12 ARG HG2 H 1.935 0 2 116 12 12 ARG HG3 H 1.710 0 2 117 12 12 ARG C C 178.385 0 1 118 12 12 ARG CA C 59.754 0 1 119 12 12 ARG CB C 30.444 0 1 120 12 12 ARG CD C 43.634 0 1 121 12 12 ARG CG C 28.276 0 1 122 12 12 ARG CZ C 159.629 0 1 123 12 12 ARG N N 115.536 0 1 124 12 12 ARG NE N 85.017 0 1 125 13 13 ALA H H 7.708 0 1 126 13 13 ALA HA H 4.403 0 1 127 13 13 ALA HB H 1.671 0 1 128 13 13 ALA CA C 55.042 0 1 129 13 13 ALA CB C 18.687 0 1 130 13 13 ALA N N 119.868 0 1 131 14 14 LEU H H 8.390 0 1 132 14 14 LEU HA H 4.398 0 1 133 14 14 LEU HB2 H 1.998 0 2 134 14 14 LEU HB3 H 1.450 0 2 135 14 14 LEU HD1 H 0.762 0 2 136 14 14 LEU HD2 H 0.906 0 2 137 14 14 LEU HG H 1.884 0 1 138 14 14 LEU C C 180.196 0 1 139 14 14 LEU CA C 57.612 0 1 140 14 14 LEU CB C 41.947 0 1 141 14 14 LEU CD1 C 23.356 0 2 142 14 14 LEU CD2 C 26.727 0 2 143 14 14 LEU CG C 27.163 0 1 144 14 14 LEU N N 119.047 0 1 145 15 15 VAL H H 8.460 0 1 146 15 15 VAL HA H 3.951 0 1 147 15 15 VAL HB H 2.284 0 1 148 15 15 VAL HG1 H 1.049 0 2 149 15 15 VAL HG2 H 1.128 0 2 150 15 15 VAL C C 178.911 0 1 151 15 15 VAL CA C 65.888 0 1 152 15 15 VAL CB C 32.120 0 1 153 15 15 VAL CG1 C 21.516 0 2 154 15 15 VAL CG2 C 22.779 0 2 155 15 15 VAL N N 120.237 0 1 156 16 16 GLU H H 8.228 0 1 157 16 16 GLU HA H 4.215 0 1 158 16 16 GLU HB2 H 2.269 0 2 159 16 16 GLU HB3 H 2.147 0 2 160 16 16 GLU HG2 H 2.633 0 2 161 16 16 GLU HG3 H 2.398 0 2 162 16 16 GLU C C 178.444 0 1 163 16 16 GLU CA C 58.998 0 1 164 16 16 GLU CB C 29.943 0 1 165 16 16 GLU CG C 36.830 0 1 166 16 16 GLU N N 119.798 0 1 167 17 17 SER H H 7.808 0 1 168 17 17 SER HA H 4.576 0 1 169 17 17 SER HB2 H 4.145 0 2 170 17 17 SER HB3 H 4.066 0 2 171 17 17 SER C C 174.222 0 1 172 17 17 SER CA C 59.850 0 1 173 17 17 SER CB C 64.133 0 1 174 17 17 SER N N 113.678 0 1 175 18 18 ALA H H 7.824 0 1 176 18 18 ALA HA H 4.378 0 1 177 18 18 ALA HB H 1.547 0 1 178 18 18 ALA C C 178.207 0 1 179 18 18 ALA CA C 52.947 0 1 180 18 18 ALA CB C 19.872 0 1 181 18 18 ALA N N 123.226 0 1 182 19 19 GLY H H 8.241 0 1 183 19 19 GLY HA2 H 4.074 0 2 184 19 19 GLY HA3 H 4.074 0 2 185 19 19 GLY C C 174.350 0 1 186 19 19 GLY CA C 45.546 0 1 187 19 19 GLY N N 107.442 0 1 188 20 20 GLU H H 8.497 0 1 189 20 20 GLU HA H 4.478 0 1 190 20 20 GLU HB2 H 2.240 0 2 191 20 20 GLU HB3 H 2.078 0 2 192 20 20 GLU HG2 H 2.410 0 2 193 20 20 GLU HG3 H 2.410 0 2 194 20 20 GLU C C 176.825 0 1 195 20 20 GLU CA C 56.869 0 1 196 20 20 GLU CB C 30.187 0 1 197 20 20 GLU CG C 35.941 0 1 198 20 20 GLU N N 120.403 0 1 199 21 21 THR H H 8.243 0 1 200 21 21 THR HA H 4.526 0 1 201 21 21 THR HB H 4.382 0 1 202 21 21 THR HG2 H 1.253 0 1 203 21 21 THR C C 174.478 0 1 204 21 21 THR CA C 61.817 0 1 205 21 21 THR CB C 70.277 0 1 206 21 21 THR CG2 C 21.587 0 1 207 21 21 THR N N 113.999 0 1 208 22 22 ASP H H 8.484 0 1 209 22 22 ASP HA H 4.731 0 1 210 22 22 ASP HB2 H 2.841 0 2 211 22 22 ASP HB3 H 2.841 0 2 212 22 22 ASP C C 176.839 0 1 213 22 22 ASP CA C 54.757 0 1 214 22 22 ASP CB C 41.038 0 1 215 22 22 ASP N N 122.202 0 1 216 23 23 GLY H H 8.491 0 1 217 23 23 GLY HA2 H 4.086 0 2 218 23 23 GLY HA3 H 4.086 0 2 219 23 23 GLY C C 174.725 0 1 220 23 23 GLY CA C 45.798 0 1 221 23 23 GLY N N 109.364 0 1 222 24 24 THR H H 8.127 0 1 223 24 24 THR HA H 4.344 0 1 224 24 24 THR HB H 4.232 0 1 225 24 24 THR HG2 H 1.281 0 1 226 24 24 THR C C 174.162 0 1 227 24 24 THR CA C 63.027 0 1 228 24 24 THR CB C 69.986 0 1 229 24 24 THR CG2 C 21.701 0 1 230 24 24 THR N N 115.813 0 1 231 25 25 ASP H H 8.604 0 1 232 25 25 ASP HA H 4.723 0 1 233 25 25 ASP HB2 H 2.881 0 2 234 25 25 ASP HB3 H 2.764 0 2 235 25 25 ASP C C 176.171 0 1 236 25 25 ASP CA C 54.480 0 1 237 25 25 ASP CB C 41.042 0 1 238 25 25 ASP N N 123.729 0 1 239 26 26 LEU H H 8.469 0 1 240 26 26 LEU HA H 4.377 0 1 241 26 26 LEU HB2 H 1.463 0 2 242 26 26 LEU HB3 H 1.257 0 2 243 26 26 LEU HD1 H 0.701 0 2 244 26 26 LEU HD2 H 0.811 0 2 245 26 26 LEU HG H 1.591 0 1 246 26 26 LEU C C 176.424 0 1 247 26 26 LEU CA C 54.195 0 1 248 26 26 LEU CB C 41.168 0 1 249 26 26 LEU CD1 C 23.397 0 2 250 26 26 LEU CD2 C 26.286 0 2 251 26 26 LEU CG C 26.753 0 1 252 26 26 LEU N N 123.768 0 1 253 27 27 SER H H 8.245 0 1 254 27 27 SER HA H 4.317 0 1 255 27 27 SER HB2 H 4.046 0 2 256 27 27 SER HB3 H 3.986 0 2 257 27 27 SER C C 175.085 0 1 258 27 27 SER CA C 59.794 0 1 259 27 27 SER CB C 64.219 0 1 260 27 27 SER N N 115.146 0 1 261 28 28 GLY H H 8.562 0 1 262 28 28 GLY HA2 H 4.273 0 2 263 28 28 GLY HA3 H 3.889 0 2 264 28 28 GLY C C 174.206 0 1 265 28 28 GLY CA C 45.376 0 1 266 28 28 GLY N N 111.414 0 1 267 29 29 ASP H H 8.660 0 1 268 29 29 ASP HA H 4.854 0 1 269 29 29 ASP HB2 H 2.897 0 2 270 29 29 ASP HB3 H 2.682 0 2 271 29 29 ASP C C 176.449 0 1 272 29 29 ASP CA C 54.366 0 1 273 29 29 ASP CB C 39.833 0 1 274 29 29 ASP N N 123.160 0 1 275 30 30 PHE H H 8.039 0 1 276 30 30 PHE HA H 4.746 0 1 277 30 30 PHE HB2 H 3.311 0 2 278 30 30 PHE HB3 H 3.032 0 2 279 30 30 PHE HD1 H 7.322 0 3 280 30 30 PHE HD2 H 7.322 0 3 281 30 30 PHE HE1 H 7.227 0 3 282 30 30 PHE HE2 H 7.227 0 3 283 30 30 PHE HZ H 7.348 0 1 284 30 30 PHE C C 175.423 0 1 285 30 30 PHE CA C 57.677 0 1 286 30 30 PHE CB C 40.499 0 1 287 30 30 PHE CD1 C 132.266 0 3 288 30 30 PHE CD2 C 132.266 0 3 289 30 30 PHE CE1 C 130.399 0 3 290 30 30 PHE CE2 C 130.399 0 3 291 30 30 PHE CZ C 128.751 0 1 292 30 30 PHE N N 122.034 0 1 293 31 31 LEU H H 7.517 0 1 294 31 31 LEU HA H 3.325 0 1 295 31 31 LEU HB2 H 1.643 0 2 296 31 31 LEU HB3 H 1.050 0 2 297 31 31 LEU HD1 H 0.475 0 2 298 31 31 LEU HD2 H 0.794 0 2 299 31 31 LEU HG H 1.219 0 1 300 31 31 LEU C C 176.420 0 1 301 31 31 LEU CA C 57.886 0 1 302 31 31 LEU CB C 42.138 0 1 303 31 31 LEU CD1 C 23.863 0 2 304 31 31 LEU CD2 C 25.390 0 2 305 31 31 LEU CG C 27.018 0 1 306 31 31 LEU N N 118.857 0 1 307 32 32 ASP H H 8.054 0 1 308 32 32 ASP HA H 5.057 0 1 309 32 32 ASP HB2 H 3.047 0 2 310 32 32 ASP HB3 H 2.372 0 2 311 32 32 ASP C C 175.961 0 1 312 32 32 ASP CA C 53.808 0 1 313 32 32 ASP CB C 41.781 0 1 314 32 32 ASP N N 111.791 0 1 315 33 33 LEU H H 7.211 0 1 316 33 33 LEU HA H 4.334 0 1 317 33 33 LEU HB2 H 1.791 0 2 318 33 33 LEU HB3 H 1.425 0 2 319 33 33 LEU HD1 H 0.964 0 2 320 33 33 LEU HD2 H 1.069 0 2 321 33 33 LEU HG H 1.784 0 1 322 33 33 LEU C C 174.851 0 1 323 33 33 LEU CA C 54.461 0 1 324 33 33 LEU CB C 42.478 0 1 325 33 33 LEU CD1 C 22.453 0 2 326 33 33 LEU CD2 C 26.227 0 2 327 33 33 LEU CG C 27.043 0 1 328 33 33 LEU N N 122.098 0 1 329 34 34 ARG H H 8.458 0 1 330 34 34 ARG HA H 4.734 0 1 331 34 34 ARG HB2 H 2.199 0 2 332 34 34 ARG HB3 H 1.864 0 2 333 34 34 ARG HD2 H 3.454 0 2 334 34 34 ARG HD3 H 3.359 0 2 335 34 34 ARG HE H 7.984 0 1 336 34 34 ARG HG2 H 1.951 0 2 337 34 34 ARG HG3 H 1.635 0 2 338 34 34 ARG C C 179.827 0 1 339 34 34 ARG CA C 55.477 0 1 340 34 34 ARG CB C 30.170 0 1 341 34 34 ARG CD C 43.609 0 1 342 34 34 ARG CG C 28.346 0 1 343 34 34 ARG CZ C 159.939 0 1 344 34 34 ARG N N 116.204 0 1 345 34 34 ARG NE N 85.078 0 1 346 35 35 PHE H H 8.420 0 1 347 35 35 PHE HA H 4.388 0 1 348 35 35 PHE HB2 H 3.578 0 2 349 35 35 PHE HB3 H 3.111 0 2 350 35 35 PHE HD1 H 7.145 0 3 351 35 35 PHE HD2 H 7.145 0 3 352 35 35 PHE HE1 H 6.950 0 3 353 35 35 PHE HE2 H 6.950 0 3 354 35 35 PHE HZ H 6.910 0 1 355 35 35 PHE C C 178.728 0 1 356 35 35 PHE CA C 62.971 0 1 357 35 35 PHE CB C 38.034 0 1 358 35 35 PHE CD1 C 131.060 0 3 359 35 35 PHE CD2 C 131.060 0 3 360 35 35 PHE CE1 C 130.851 0 3 361 35 35 PHE CE2 C 130.851 0 3 362 35 35 PHE CZ C 127.614 0 1 363 35 35 PHE N N 122.901 0 1 364 36 36 GLU H H 9.568 0 1 365 36 36 GLU HA H 4.370 0 1 366 36 36 GLU HB2 H 2.262 0 2 367 36 36 GLU HB3 H 2.145 0 2 368 36 36 GLU HG2 H 2.499 0 2 369 36 36 GLU HG3 H 2.499 0 2 370 36 36 GLU C C 178.535 0 1 371 36 36 GLU CA C 59.167 0 1 372 36 36 GLU CB C 29.513 0 1 373 36 36 GLU CG C 35.852 0 1 374 36 36 GLU N N 117.062 0 1 375 37 37 ASP H H 7.554 0 1 376 37 37 ASP HA H 4.818 0 1 377 37 37 ASP HB2 H 3.091 0 2 378 37 37 ASP HB3 H 3.004 0 2 379 37 37 ASP C C 177.920 0 1 380 37 37 ASP CA C 56.499 0 1 381 37 37 ASP CB C 41.446 0 1 382 37 37 ASP N N 118.322 0 1 383 38 38 ILE H H 7.715 0 1 384 38 38 ILE HA H 4.636 0 1 385 38 38 ILE HB H 2.448 0 1 386 38 38 ILE HD1 H 0.891 0 1 387 38 38 ILE HG12 H 1.840 0 2 388 38 38 ILE HG13 H 1.541 0 2 389 38 38 ILE HG2 H 1.065 0 1 390 38 38 ILE C C 176.079 0 1 391 38 38 ILE CA C 62.148 0 1 392 38 38 ILE CB C 38.718 0 1 393 38 38 ILE CD1 C 14.097 0 1 394 38 38 ILE CG1 C 27.476 0 1 395 38 38 ILE CG2 C 18.823 0 1 396 38 38 ILE N N 113.220 0 1 397 39 39 GLY H H 7.722 0 1 398 39 39 GLY HA2 H 4.271 0 2 399 39 39 GLY HA3 H 3.883 0 2 400 39 39 GLY C C 174.475 0 1 401 39 39 GLY CA C 46.386 0 1 402 39 39 GLY N N 106.876 0 1 403 40 40 TYR H H 8.029 0 1 404 40 40 TYR HA H 4.600 0 1 405 40 40 TYR HB2 H 3.006 0 2 406 40 40 TYR HB3 H 2.817 0 2 407 40 40 TYR HD1 H 6.989 0 3 408 40 40 TYR HD2 H 6.989 0 3 409 40 40 TYR HE1 H 6.765 0 3 410 40 40 TYR HE2 H 6.765 0 3 411 40 40 TYR C C 174.474 0 1 412 40 40 TYR CA C 58.204 0 1 413 40 40 TYR CB C 40.314 0 1 414 40 40 TYR CD1 C 131.948 0 3 415 40 40 TYR CD2 C 131.948 0 3 416 40 40 TYR CE1 C 118.052 0 3 417 40 40 TYR CE2 C 118.052 0 3 418 40 40 TYR N N 121.461 0 1 419 41 41 ASP H H 8.006 0 1 420 41 41 ASP HA H 4.757 0 1 421 41 41 ASP HB2 H 3.295 0 2 422 41 41 ASP HB3 H 2.864 0 2 423 41 41 ASP C C 175.807 0 1 424 41 41 ASP CA C 52.752 0 1 425 41 41 ASP CB C 41.869 0 1 426 41 41 ASP N N 123.525 0 1 427 42 42 SER H H 8.929 0 1 428 42 42 SER HA H 4.254 0 1 429 42 42 SER HB2 H 4.195 0 2 430 42 42 SER HB3 H 4.350 0 2 431 42 42 SER C C 176.019 0 1 432 42 42 SER CA C 60.588 0 1 433 42 42 SER CB C 65.911 0 1 434 42 42 SER N N 114.053 0 1 435 43 43 LEU H H 7.817 0 1 436 43 43 LEU HA H 4.276 0 1 437 43 43 LEU HB2 H 1.898 0 2 438 43 43 LEU HB3 H 1.843 0 2 439 43 43 LEU HD1 H 1.028 0 2 440 43 43 LEU HD2 H 1.064 0 2 441 43 43 LEU HG H 1.761 0 1 442 43 43 LEU C C 179.081 0 1 443 43 43 LEU CA C 58.496 0 1 444 43 43 LEU CB C 41.133 0 1 445 43 43 LEU CD1 C 24.704 0 2 446 43 43 LEU CD2 C 24.609 0 2 447 43 43 LEU CG C 27.391 0 1 448 43 43 LEU N N 124.044 0 1 449 44 44 ALA H H 8.159 0 1 450 44 44 ALA HA H 4.330 0 1 451 44 44 ALA HB H 1.541 0 1 452 44 44 ALA C C 181.896 0 1 453 44 44 ALA CA C 55.105 0 1 454 44 44 ALA CB C 18.754 0 1 455 44 44 ALA N N 123.190 0 1 456 45 45 LEU H H 8.458 0 1 457 45 45 LEU HA H 3.917 0 1 458 45 45 LEU HB2 H 1.588 0 2 459 45 45 LEU HB3 H 1.577 0 2 460 45 45 LEU HD1 H 0.243 0 2 461 45 45 LEU HD2 H 0.372 0 2 462 45 45 LEU HG H 1.393 0 1 463 45 45 LEU C C 178.430 0 1 464 45 45 LEU CA C 58.375 0 1 465 45 45 LEU CB C 41.595 0 1 466 45 45 LEU CD1 C 23.419 0 2 467 45 45 LEU CD2 C 23.975 0 2 468 45 45 LEU CG C 26.980 0 1 469 45 45 LEU N N 121.077 0 1 470 46 46 MET H H 8.226 0 1 471 46 46 MET HA H 4.263 0 1 472 46 46 MET HB2 H 2.334 0 2 473 46 46 MET HB3 H 2.334 0 2 474 46 46 MET HG2 H 2.845 0 2 475 46 46 MET HG3 H 2.755 0 2 476 46 46 MET C C 179.633 0 1 477 46 46 MET CA C 58.918 0 1 478 46 46 MET CB C 32.177 0 1 479 46 46 MET CG C 32.440 0 1 480 46 46 MET N N 119.516 0 1 481 47 47 GLU H H 8.487 0 1 482 47 47 GLU HA H 4.238 0 1 483 47 47 GLU HB2 H 2.352 0 2 484 47 47 GLU HB3 H 2.216 0 2 485 47 47 GLU HG2 H 2.605 0 2 486 47 47 GLU HG3 H 2.468 0 2 487 47 47 GLU C C 179.299 0 1 488 47 47 GLU CA C 59.491 0 1 489 47 47 GLU CB C 29.213 0 1 490 47 47 GLU CG C 35.804 0 1 491 47 47 GLU N N 120.644 0 1 492 48 48 THR H H 8.324 0 1 493 48 48 THR HA H 3.966 0 1 494 48 48 THR HB H 4.427 0 1 495 48 48 THR HG2 H 1.131 0 1 496 48 48 THR C C 176.277 0 1 497 48 48 THR CA C 67.911 0 1 498 48 48 THR CB C 68.374 0 1 499 48 48 THR CG2 C 20.859 0 1 500 48 48 THR N N 118.554 0 1 501 49 49 ALA H H 8.720 0 1 502 49 49 ALA HA H 3.960 0 1 503 49 49 ALA HB H 1.543 0 1 504 49 49 ALA C C 178.663 0 1 505 49 49 ALA CA C 56.181 0 1 506 49 49 ALA CB C 17.850 0 1 507 49 49 ALA N N 123.691 0 1 508 50 50 ALA H H 8.223 0 1 509 50 50 ALA HA H 4.287 0 1 510 50 50 ALA HB H 1.658 0 1 511 50 50 ALA C C 181.270 0 1 512 50 50 ALA CA C 55.486 0 1 513 50 50 ALA CB C 18.288 0 1 514 50 50 ALA N N 119.584 0 1 515 51 51 ARG H H 8.139 0 1 516 51 51 ARG HA H 4.248 0 1 517 51 51 ARG HB2 H 2.209 0 2 518 51 51 ARG HB3 H 2.036 0 2 519 51 51 ARG HD2 H 3.451 0 2 520 51 51 ARG HD3 H 3.313 0 2 521 51 51 ARG HE H 7.566 0 1 522 51 51 ARG HG2 H 1.989 0 2 523 51 51 ARG HG3 H 1.742 0 2 524 51 51 ARG C C 179.713 0 1 525 51 51 ARG CA C 59.578 0 1 526 51 51 ARG CB C 30.394 0 1 527 51 51 ARG CD C 43.660 0 1 528 51 51 ARG CG C 28.332 0 1 529 51 51 ARG CZ C 159.659 0 1 530 51 51 ARG N N 119.695 0 1 531 51 51 ARG NE N 84.792 0 1 532 52 52 LEU H H 8.435 0 1 533 52 52 LEU HA H 4.321 0 1 534 52 52 LEU HB2 H 2.228 0 2 535 52 52 LEU HB3 H 1.454 0 2 536 52 52 LEU HD1 H 0.871 0 2 537 52 52 LEU HD2 H 1.037 0 2 538 52 52 LEU HG H 2.058 0 1 539 52 52 LEU C C 179.157 0 1 540 52 52 LEU CA C 58.295 0 1 541 52 52 LEU CB C 42.597 0 1 542 52 52 LEU CD1 C 26.486 0 2 543 52 52 LEU CD2 C 23.652 0 2 544 52 52 LEU CG C 26.696 0 1 545 52 52 LEU N N 120.352 0 1 546 53 53 GLU H H 8.904 0 1 547 53 53 GLU HA H 4.121 0 1 548 53 53 GLU HB2 H 2.481 0 2 549 53 53 GLU HB3 H 2.371 0 2 550 53 53 GLU HG2 H 2.757 0 2 551 53 53 GLU HG3 H 2.332 0 2 552 53 53 GLU C C 179.360 0 1 553 53 53 GLU CA C 60.163 0 1 554 53 53 GLU CB C 29.192 0 1 555 53 53 GLU CG C 34.950 0 1 556 53 53 GLU N N 119.355 0 1 557 54 54 SER H H 8.046 0 1 558 54 54 SER HA H 4.377 0 1 559 54 54 SER HB2 H 4.114 0 2 560 54 54 SER HB3 H 4.114 0 2 561 54 54 SER C C 176.943 0 1 562 54 54 SER CA C 61.113 0 1 563 54 54 SER CB C 63.277 0 1 564 54 54 SER N N 112.863 0 1 565 55 55 ARG H H 8.134 0 1 566 55 55 ARG HA H 4.104 0 1 567 55 55 ARG HB2 H 1.893 0 2 568 55 55 ARG HB3 H 1.601 0 2 569 55 55 ARG HD2 H 3.101 0 2 570 55 55 ARG HD3 H 3.019 0 2 571 55 55 ARG HE H 7.183 0 1 572 55 55 ARG HG2 H 1.375 0 2 573 55 55 ARG HG3 H 0.991 0 2 574 55 55 ARG C C 177.847 0 1 575 55 55 ARG CA C 58.861 0 1 576 55 55 ARG CB C 30.823 0 1 577 55 55 ARG CD C 43.554 0 1 578 55 55 ARG CG C 26.975 0 1 579 55 55 ARG CZ C 159.965 0 1 580 55 55 ARG N N 120.604 0 1 581 55 55 ARG NE N 84.814 0 1 582 56 56 TYR H H 8.103 0 1 583 56 56 TYR HA H 4.708 0 1 584 56 56 TYR HB2 H 3.465 0 2 585 56 56 TYR HB3 H 2.815 0 2 586 56 56 TYR HD1 H 7.444 0 3 587 56 56 TYR HD2 H 7.444 0 3 588 56 56 TYR HE1 H 6.821 0 3 589 56 56 TYR HE2 H 6.821 0 3 590 56 56 TYR C C 176.001 0 1 591 56 56 TYR CA C 59.033 0 1 592 56 56 TYR CB C 39.357 0 1 593 56 56 TYR CD1 C 132.818 0 3 594 56 56 TYR CD2 C 132.818 0 3 595 56 56 TYR CE1 C 117.958 0 3 596 56 56 TYR CE2 C 117.958 0 3 597 56 56 TYR N N 113.384 0 1 598 57 57 GLY H H 7.953 0 1 599 57 57 GLY HA2 H 4.102 0 2 600 57 57 GLY HA3 H 4.102 0 2 601 57 57 GLY C C 174.590 0 1 602 57 57 GLY CA C 47.373 0 1 603 57 57 GLY N N 109.544 0 1 604 58 58 VAL H H 7.492 0 1 605 58 58 VAL HA H 4.671 0 1 606 58 58 VAL HB H 2.139 0 1 607 58 58 VAL HG1 H 0.933 0 2 608 58 58 VAL HG2 H 0.982 0 2 609 58 58 VAL C C 174.024 0 1 610 58 58 VAL CA C 59.485 0 1 611 58 58 VAL CB C 34.768 0 1 612 58 58 VAL CG1 C 19.690 0 2 613 58 58 VAL CG2 C 21.704 0 2 614 58 58 VAL N N 112.461 0 1 615 59 59 SER H H 8.469 0 1 616 59 59 SER HA H 4.830 0 1 617 59 59 SER HB2 H 3.811 0 2 618 59 59 SER HB3 H 3.761 0 2 619 59 59 SER C C 173.638 0 1 620 59 59 SER CA C 57.235 0 1 621 59 59 SER CB C 64.246 0 1 622 59 59 SER N N 117.015 0 1 623 60 60 ILE H H 8.299 0 1 624 60 60 ILE HA H 4.633 0 1 625 60 60 ILE HB H 1.826 0 1 626 60 60 ILE HD1 H 0.860 0 1 627 60 60 ILE HG12 H 1.518 0 2 628 60 60 ILE HG13 H 1.134 0 2 629 60 60 ILE HG2 H 1.030 0 1 630 60 60 ILE CA C 57.886 0 1 631 60 60 ILE CB C 40.111 0 1 632 60 60 ILE CD1 C 13.707 0 1 633 60 60 ILE CG1 C 27.268 0 1 634 60 60 ILE CG2 C 17.354 0 1 635 60 60 ILE N N 125.711 0 1 636 61 61 PRO HA H 4.543 0 1 637 61 61 PRO HB2 H 2.543 0 2 638 61 61 PRO HB3 H 2.083 0 2 639 61 61 PRO HD2 H 4.028 0 2 640 61 61 PRO HD3 H 3.584 0 2 641 61 61 PRO HG2 H 2.144 0 2 642 61 61 PRO HG3 H 2.144 0 2 643 61 61 PRO C C 177.294 0 1 644 61 61 PRO CA C 63.487 0 1 645 61 61 PRO CB C 32.762 0 1 646 61 61 PRO CD C 51.432 0 1 647 61 61 PRO CG C 27.931 0 1 648 62 62 ASP H H 8.763 0 1 649 62 62 ASP HA H 4.465 0 1 650 62 62 ASP HB2 H 2.813 0 2 651 62 62 ASP HB3 H 2.761 0 2 652 62 62 ASP C C 177.241 0 1 653 62 62 ASP CA C 56.924 0 1 654 62 62 ASP CB C 40.701 0 1 655 62 62 ASP N N 122.540 0 1 656 63 63 ASP H H 8.576 0 1 657 63 63 ASP HA H 4.553 0 1 658 63 63 ASP HB2 H 2.839 0 2 659 63 63 ASP HB3 H 2.755 0 2 660 63 63 ASP C C 177.199 0 1 661 63 63 ASP CA C 54.948 0 1 662 63 63 ASP CB C 39.779 0 1 663 63 63 ASP N N 116.617 0 1 664 64 64 VAL H H 7.437 0 1 665 64 64 VAL HA H 3.884 0 1 666 64 64 VAL HB H 2.231 0 1 667 64 64 VAL HG1 H 0.988 0 2 668 64 64 VAL HG2 H 1.035 0 2 669 64 64 VAL C C 177.279 0 1 670 64 64 VAL CA C 64.639 0 1 671 64 64 VAL CB C 32.410 0 1 672 64 64 VAL CG1 C 21.288 0 2 673 64 64 VAL CG2 C 21.856 0 2 674 64 64 VAL N N 118.616 0 1 675 65 65 ALA H H 8.218 0 1 676 65 65 ALA HA H 4.038 0 1 677 65 65 ALA HB H 1.416 0 1 678 65 65 ALA C C 178.053 0 1 679 65 65 ALA CA C 54.855 0 1 680 65 65 ALA CB C 18.744 0 1 681 65 65 ALA N N 122.653 0 1 682 66 66 GLY H H 8.071 0 1 683 66 66 GLY HA2 H 4.124 0 2 684 66 66 GLY HA3 H 3.931 0 2 685 66 66 GLY C C 174.273 0 1 686 66 66 GLY CA C 45.838 0 1 687 66 66 GLY N N 101.624 0 1 688 67 67 ARG H H 7.603 0 1 689 67 67 ARG HA H 4.628 0 1 690 67 67 ARG HB2 H 2.077 0 2 691 67 67 ARG HB3 H 1.877 0 2 692 67 67 ARG HD2 H 3.284 0 2 693 67 67 ARG HD3 H 3.284 0 2 694 67 67 ARG HE H 7.414 0 1 695 67 67 ARG HG2 H 1.757 0 2 696 67 67 ARG HG3 H 1.757 0 2 697 67 67 ARG C C 176.319 0 1 698 67 67 ARG CA C 55.760 0 1 699 67 67 ARG CB C 31.810 0 1 700 67 67 ARG CD C 43.816 0 1 701 67 67 ARG CG C 27.418 0 1 702 67 67 ARG CZ C 159.707 0 1 703 67 67 ARG N N 117.121 0 1 704 67 67 ARG NE N 85.057 0 1 705 68 68 VAL H H 7.456 0 1 706 68 68 VAL HA H 4.453 0 1 707 68 68 VAL HB H 2.392 0 1 708 68 68 VAL HG1 H 1.134 0 2 709 68 68 VAL HG2 H 1.183 0 2 710 68 68 VAL C C 175.075 0 1 711 68 68 VAL CA C 61.765 0 1 712 68 68 VAL CB C 33.374 0 1 713 68 68 VAL CG1 C 23.306 0 2 714 68 68 VAL CG2 C 20.483 0 2 715 68 68 VAL N N 115.860 0 1 716 69 69 ASP H H 9.134 0 1 717 69 69 ASP HA H 5.276 0 1 718 69 69 ASP HB2 H 3.008 0 2 719 69 69 ASP HB3 H 2.879 0 2 720 69 69 ASP C C 176.638 0 1 721 69 69 ASP CA C 55.670 0 1 722 69 69 ASP CB C 44.193 0 1 723 69 69 ASP N N 121.233 0 1 724 70 70 THR H H 7.478 0 1 725 70 70 THR HA H 4.942 0 1 726 70 70 THR HB H 4.623 0 1 727 70 70 THR HG2 H 1.075 0 1 728 70 70 THR CA C 57.782 0 1 729 70 70 THR CB C 71.360 0 1 730 70 70 THR CG2 C 21.776 0 1 731 70 70 THR N N 108.118 0 1 732 71 71 PRO HA H 4.239 0 1 733 71 71 PRO HB2 H 2.262 0 2 734 71 71 PRO HB3 H 2.032 0 2 735 71 71 PRO HD2 H 4.049 0 2 736 71 71 PRO HD3 H 2.850 0 2 737 71 71 PRO HG2 H 2.202 0 2 738 71 71 PRO HG3 H 1.357 0 2 739 71 71 PRO C C 177.337 0 1 740 71 71 PRO CA C 65.810 0 1 741 71 71 PRO CB C 32.694 0 1 742 71 71 PRO CD C 51.890 0 1 743 71 71 PRO CG C 26.844 0 1 744 72 72 ARG H H 8.997 0 1 745 72 72 ARG HA H 3.623 0 1 746 72 72 ARG HB2 H 1.878 0 2 747 72 72 ARG HB3 H 1.619 0 2 748 72 72 ARG HD2 H 3.504 0 2 749 72 72 ARG HD3 H 3.035 0 2 750 72 72 ARG HE H 9.074 0 1 751 72 72 ARG HG2 H 1.670 0 2 752 72 72 ARG HG3 H 1.529 0 2 753 72 72 ARG HH11 H 6.892 0 2 754 72 72 ARG HH12 H 6.892 0 2 755 72 72 ARG HH21 H 6.892 0 2 756 72 72 ARG HH22 H 6.892 0 2 757 72 72 ARG C C 177.602 0 1 758 72 72 ARG CA C 60.246 0 1 759 72 72 ARG CB C 30.527 0 1 760 72 72 ARG CD C 42.922 0 1 761 72 72 ARG CG C 27.593 0 1 762 72 72 ARG CZ C 159.409 0 1 763 72 72 ARG N N 117.695 0 1 764 72 72 ARG NE N 83.515 0 1 765 72 72 ARG NH1 N 71.207 0 2 766 72 72 ARG NH2 N 71.207 0 2 767 73 73 GLU H H 7.825 0 1 768 73 73 GLU HA H 4.248 0 1 769 73 73 GLU HB2 H 2.468 0 2 770 73 73 GLU HB3 H 2.278 0 2 771 73 73 GLU HG2 H 2.629 0 2 772 73 73 GLU HG3 H 2.517 0 2 773 73 73 GLU C C 180.082 0 1 774 73 73 GLU CA C 59.084 0 1 775 73 73 GLU CB C 30.036 0 1 776 73 73 GLU CG C 36.433 0 1 777 73 73 GLU N N 116.493 0 1 778 74 74 LEU H H 7.728 0 1 779 74 74 LEU HA H 4.307 0 1 780 74 74 LEU HB2 H 2.438 0 2 781 74 74 LEU HB3 H 1.699 0 2 782 74 74 LEU HD1 H 1.073 0 2 783 74 74 LEU HD2 H 1.073 0 2 784 74 74 LEU HG H 0.990 0 1 785 74 74 LEU C C 176.978 0 1 786 74 74 LEU CA C 58.225 0 1 787 74 74 LEU CB C 42.244 0 1 788 74 74 LEU CD1 C 22.763 0 2 789 74 74 LEU CD2 C 22.763 0 2 790 74 74 LEU CG C 26.382 0 1 791 74 74 LEU N N 120.459 0 1 792 75 75 LEU H H 8.730 0 1 793 75 75 LEU HA H 3.902 0 1 794 75 75 LEU HB2 H 2.188 0 2 795 75 75 LEU HB3 H 1.572 0 2 796 75 75 LEU HD1 H 0.805 0 2 797 75 75 LEU HD2 H 0.883 0 2 798 75 75 LEU HG H 1.703 0 1 799 75 75 LEU C C 178.080 0 1 800 75 75 LEU CA C 58.499 0 1 801 75 75 LEU CB C 42.362 0 1 802 75 75 LEU CD1 C 24.981 0 2 803 75 75 LEU CD2 C 26.489 0 2 804 75 75 LEU CG C 26.505 0 1 805 75 75 LEU N N 121.064 0 1 806 76 76 ASP H H 8.672 0 1 807 76 76 ASP HA H 4.486 0 1 808 76 76 ASP HB2 H 2.780 0 2 809 76 76 ASP HB3 H 2.723 0 2 810 76 76 ASP C C 180.045 0 1 811 76 76 ASP CA C 57.235 0 1 812 76 76 ASP CB C 40.036 0 1 813 76 76 ASP N N 117.553 0 1 814 77 77 LEU H H 7.992 0 1 815 77 77 LEU HA H 4.284 0 1 816 77 77 LEU HB2 H 2.036 0 2 817 77 77 LEU HB3 H 1.932 0 2 818 77 77 LEU HD1 H 0.978 0 2 819 77 77 LEU HD2 H 0.978 0 2 820 77 77 LEU HG H 1.829 0 1 821 77 77 LEU C C 179.824 0 1 822 77 77 LEU CA C 58.467 0 1 823 77 77 LEU CB C 42.827 0 1 824 77 77 LEU CD1 C 25.257 0 2 825 77 77 LEU CD2 C 25.257 0 2 826 77 77 LEU CG C 27.188 0 1 827 77 77 LEU N N 122.897 0 1 828 78 78 ILE H H 8.285 0 1 829 78 78 ILE HA H 3.754 0 1 830 78 78 ILE HB H 1.948 0 1 831 78 78 ILE HD1 H 0.806 0 1 832 78 78 ILE HG12 H 1.751 0 2 833 78 78 ILE HG13 H 1.286 0 2 834 78 78 ILE HG2 H 0.888 0 1 835 78 78 ILE C C 177.671 0 1 836 78 78 ILE CA C 64.673 0 1 837 78 78 ILE CB C 37.476 0 1 838 78 78 ILE CD1 C 13.527 0 1 839 78 78 ILE CG1 C 28.924 0 1 840 78 78 ILE CG2 C 17.492 0 1 841 78 78 ILE N N 119.766 0 1 842 79 79 ASN H H 8.883 0 1 843 79 79 ASN HA H 4.921 0 1 844 79 79 ASN HB2 H 3.104 0 2 845 79 79 ASN HB3 H 2.785 0 2 846 79 79 ASN HD21 H 7.355 0 2 847 79 79 ASN HD22 H 7.668 0 2 848 79 79 ASN C C 179.400 0 1 849 79 79 ASN CA C 55.410 0 1 850 79 79 ASN CB C 37.321 0 1 851 79 79 ASN N N 117.838 0 1 852 79 79 ASN ND2 N 107.782 0 1 853 80 80 GLY H H 8.405 0 1 854 80 80 GLY HA2 H 4.038 0 2 855 80 80 GLY HA3 H 4.038 0 2 856 80 80 GLY C C 175.700 0 1 857 80 80 GLY CA C 47.090 0 1 858 80 80 GLY N N 110.017 0 1 859 81 81 ALA H H 7.593 0 1 860 81 81 ALA HA H 4.471 0 1 861 81 81 ALA HB H 1.639 0 1 862 81 81 ALA C C 180.427 0 1 863 81 81 ALA CA C 54.218 0 1 864 81 81 ALA CB C 18.809 0 1 865 81 81 ALA N N 124.006 0 1 866 82 82 LEU H H 8.271 0 1 867 82 82 LEU HA H 4.238 0 1 868 82 82 LEU HB2 H 2.018 0 2 869 82 82 LEU HB3 H 1.572 0 2 870 82 82 LEU HD1 H 0.999 0 2 871 82 82 LEU HD2 H 1.003 0 2 872 82 82 LEU HG H 1.860 0 1 873 82 82 LEU C C 178.715 0 1 874 82 82 LEU CA C 56.924 0 1 875 82 82 LEU CB C 42.724 0 1 876 82 82 LEU CD1 C 26.072 0 2 877 82 82 LEU CD2 C 23.861 0 2 878 82 82 LEU CG C 27.199 0 1 879 82 82 LEU N N 119.830 0 1 880 83 83 ALA H H 7.952 0 1 881 83 83 ALA HA H 4.296 0 1 882 83 83 ALA HB H 1.614 0 1 883 83 83 ALA C C 178.621 0 1 884 83 83 ALA CA C 53.980 0 1 885 83 83 ALA CB C 18.970 0 1 886 83 83 ALA N N 121.377 0 1 887 84 84 GLU H H 7.765 0 1 888 84 84 GLU HA H 4.400 0 1 889 84 84 GLU HB2 H 2.282 0 2 890 84 84 GLU HB3 H 2.129 0 2 891 84 84 GLU HG2 H 2.533 0 2 892 84 84 GLU HG3 H 2.462 0 2 893 84 84 GLU C C 176.297 0 1 894 84 84 GLU CA C 56.648 0 1 895 84 84 GLU CB C 30.170 0 1 896 84 84 GLU CG C 36.043 0 1 897 84 84 GLU N N 117.167 0 1 898 85 85 ALA H H 7.836 0 1 899 85 85 ALA HA H 4.484 0 1 900 85 85 ALA HB H 1.577 0 1 901 85 85 ALA C C 176.516 0 1 902 85 85 ALA CA C 52.484 0 1 903 85 85 ALA CB C 19.691 0 1 904 85 85 ALA N N 124.197 0 1 905 86 86 ALA H H 7.974 0 1 906 86 86 ALA HA H 4.234 0 1 907 86 86 ALA HB H 1.490 0 1 908 86 86 ALA CA C 54.218 0 1 909 86 86 ALA CB C 20.117 0 1 910 86 86 ALA N N 129.269 0 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '2D 13C,15N filtered NOESY' '2D 13C,15N filtered TOCSY' stop_ loop_ _Sample_label $13C_15N_labelled_Sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PSR _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 42 1 PSR H2A H 2.635 0 1 2 42 1 PSR H2B H 2.635 0 1 3 42 1 PSR H3A H 1.676 0 1 4 42 1 PSR H3B H 1.676 0 1 5 42 1 PSR H4A H 0.941 0 1 6 42 1 PSR H4B H 0.941 0 1 7 42 1 PSR H4C H 0.941 0 1 8 42 1 PSR H28A H 3.447 0 2 9 42 1 PSR H28B H 3.895 0 2 10 42 1 PSR H30A H 0.958 0 2 11 42 1 PSR H30B H 0.958 0 2 12 42 1 PSR H30C H 0.958 0 2 13 42 1 PSR H31A H 1.060 0 2 14 42 1 PSR H31B H 1.060 0 2 15 42 1 PSR H31C H 1.060 0 2 16 42 1 PSR H32A H 4.126 0 1 17 42 1 PSR H36A H 8.111 0 1 18 42 1 PSR H37A H 3.584 0 1 19 42 1 PSR H37B H 3.584 0 1 20 42 1 PSR H38A H 2.565 0 1 21 42 1 PSR H38B H 2.565 0 1 22 42 1 PSR H41A H 8.266 0 1 23 42 1 PSR H42A H 3.424 0 1 24 42 1 PSR H42B H 3.424 0 1 25 42 1 PSR H43A H 3.073 0 1 26 42 1 PSR H43B H 3.073 0 1 stop_ save_