data_16597 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Influenza Virus Fusion Peptide in Membranes without Cholesterol at pH 5.0 ; _BMRB_accession_number 16597 _BMRB_flat_file_name bmr16597.str _Entry_type new _Submission_date 2009-11-04 _Accession_date 2009-11-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weliky David P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-09 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16595 'HIV Fusion Peptide in Cholesterol-Rich Membranes' stop_ save_ ############################# # Citation for this entry # ############################# save_Sun_JACS _Saveframe_category entry_citation _Citation_full . _Citation_title 'C13-C13 Correlation Spectroscopy of Membrane-Associated Influenza Virus Fusion Peptide Strongly Supports a Helix-Turn-Helix Motif and Two Turn Conformations' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19711890 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sun Yan . . 2 Weliky David P. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 131 _Journal_issue 37 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13228 _Page_last 13229 _Year 2009 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_Bodner_JCP _Saveframe_category citation _Citation_full . _Citation_title 'C13-C13 and N15-C13 correlation spectroscopy of membrane-associated and uniformly labeled human immunodeficiency virus and influenza fusion peptides: Amino acid-type assignments and evidence for multiple conformations' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18266436 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bodner Michele L. . 2 Gabrys Charles M. . 3 Struppe Jochem O. . 4 Weliky David P. . stop_ _Journal_abbreviation 'J. Chem. Phys.' _Journal_name_full . _Journal_volume 128 _Journal_issue 5 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 052319 _Page_last . _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Membrane-Associated Influenza Virus Fusion Peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Influenza Virus Fusion Peptide, conformer 1' $Influenza_Fusion_Peptide 'Influenza Virus Fusion Peptide, conformer 2' $Influenza_Fusion_Peptide 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_Influenza_Fusion_Peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Influenza_Fusion_Peptide _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; GLFGAIAGFIENGWEGMIDG GGKKKKG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 LEU 3 PHE 4 GLY 5 ALA 6 ILE 7 ALA 8 GLY 9 PHE 10 ILE 11 GLU 12 ASN 13 GLY 14 TRP 15 GLU 16 GLY 17 MET 18 ILE 19 ASP 20 GLY 21 GLY 22 GLY 23 LYS 24 LYS 25 LYS 26 LYS 27 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1EO8 "Influenza Virus Hemagglutinin Complexed With A Neutralizing Antibody" 74.07 175 100.00 100.00 7.02e-04 PDB 1HA0 "Hemagglutinin Precursor Ha0" 74.07 494 100.00 100.00 7.55e-05 PDB 1HGD "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" 74.07 175 100.00 100.00 7.02e-04 PDB 1HGE "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" 74.07 175 100.00 100.00 7.02e-04 PDB 1HGF "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" 74.07 175 100.00 100.00 7.02e-04 PDB 1HGG "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" 74.07 175 100.00 100.00 7.02e-04 PDB 1HGH "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" 74.07 175 100.00 100.00 7.02e-04 PDB 1HGI "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" 74.07 175 100.00 100.00 7.02e-04 PDB 1HGJ "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" 74.07 175 100.00 100.00 7.02e-04 PDB 1IBN "Nmr Structure Of Hemagglutinin Fusion Peptide In Dpc Micelles At Ph 5" 70.37 20 100.00 100.00 7.21e-03 PDB 1IBO "Nmr Structure Of Hemagglutinin Fusion Peptide In Dpc Micelles At Ph 7.4" 70.37 20 100.00 100.00 7.21e-03 PDB 1KEN "Influenza Virus Hemagglutinin Complexed With An Antibody That Prevents The Hemagglutinin Low Ph Fusogenic Transition" 74.07 175 100.00 100.00 7.02e-04 PDB 1MQL "Bha Of Ukr63" 74.07 221 100.00 100.00 1.90e-03 PDB 1MQM BhaLSTA 74.07 221 100.00 100.00 1.90e-03 PDB 1MQN BhaLSTC 74.07 221 100.00 100.00 1.90e-03 PDB 1QFU "Influenza Virus Hemagglutinin Complexed With A Neutralizing Antibody" 74.07 175 100.00 100.00 7.02e-04 PDB 1XOO "Nmr Structure Of G1s Mutant Of Influenza Hemagglutinin Fusion Peptide In Dpc Micelles At Ph 5" 70.37 20 100.00 100.00 5.74e-03 PDB 1XOP "Nmr Structure Of G1v Mutant Of Influenza Hemagglutinin Fusion Peptide In Dpc Micelles At Ph 5" 70.37 20 100.00 100.00 6.30e-03 PDB 2HMG "Refinement Of The Influenza Virus Hemagglutinin By Simulated Annealing" 74.07 175 100.00 100.00 7.02e-04 PDB 2VIU "Influenza Virus Hemagglutinin" 74.07 175 100.00 100.00 7.02e-04 PDB 2YPG "Haemagglutinin Of 1968 Human H3n2 Virus In Complex With Human Receptor Analogue Lstc" 74.07 175 100.00 100.00 7.02e-04 PDB 3EYM "Structure Of Influenza Haemagglutinin In Complex With An Inhibitor Of Membrane Fusion" 74.07 172 100.00 100.00 6.03e-04 PDB 3HMG "Refinement Of The Influenza Virus Hemagglutinin By Simulated Annealing" 74.07 175 100.00 100.00 7.02e-04 PDB 3SDY "Crystal Structure Of Broadly Neutralizing Antibody Cr8020 Bound To The Influenza A H3 Hemagglutinin" 74.07 176 100.00 100.00 7.21e-04 PDB 3VUN "Crystal Structure Of A Influenza A Virus (AAICHI21968 H3N2) Hemagglutinin In C2 Space Group." 74.07 175 100.00 100.00 7.02e-04 PDB 3WHE "A New Conserved Neutralizing Epitope At The Globular Head Of Hemagglutinin In H3n2 Influenza Viruses" 74.07 493 100.00 100.00 7.54e-05 PDB 3ZTJ "Structure Of Influenza A Neutralizing Antibody Selected From Cultures Of Single Human Plasma Cells In Complex With Human H3 Inf" 74.07 175 100.00 100.00 7.02e-04 PDB 4FNK "Crystal Structure Of The AHONG KONG11968 (H3N2) INFLUENZA VIRUS Hemagglutinin" 74.07 174 100.00 100.00 7.21e-04 PDB 4FQR "Crystal Structure Of Broadly Neutralizing Antibody C05 Bound To H3 Influenza Hemagglutinin" 74.07 174 100.00 100.00 7.21e-04 PDB 4FQY "Crystal Structure Of Broadly Neutralizing Antibody Cr9114 Bound To H3 Influenza Hemagglutinin" 74.07 174 100.00 100.00 7.21e-04 PDB 4HMG "Refinement Of The Influenza Virus Hemagglutinin By Simulated Annealing" 74.07 175 100.00 100.00 7.02e-04 PDB 4NM8 "Crystal Structure Of Broadly Neutralizing Antibody Cr8043 Bound To H3 Influenza Hemagglutinin" 74.07 176 100.00 100.00 7.21e-04 PDB 4UBD "Crystal Structure Of A Neutralizing Human Monoclonal Antibody With 1968 H3 Ha" 74.07 175 100.00 100.00 7.02e-04 PDB 4WA1 "The Crystal Structure Of Hemagglutinin From A H3n8 Influenza Virus Isolated From New England Harbor Seals" 74.07 496 100.00 100.00 7.14e-05 PDB 4WA2 "The Crystal Structure Of Hemagglutinin From A H3n8 Influenza Virus Isolated From New England Harbor Seals In Complex With 3'sln" 74.07 496 100.00 100.00 7.14e-05 PDB 4WE4 "The Crystal Structure Of Hemagglutinin From 1968 H3n2 Influenza Virus" 74.07 172 100.00 100.00 5.97e-04 PDB 4ZCJ "Crystal Structure Of The A/hong Kong/1/1968 (h3n2) Influenza Virus Hemagglutinin Ha1 Cys30, Ha2 Cys47 Mutant" 74.07 176 100.00 100.00 8.01e-04 PDB 5HMG "Refinement Of The Influenza Virus Hemagglutinin By Simulated Annealing" 74.07 175 100.00 100.00 7.10e-04 DBJ BAA00769 "hemagglutinin, partial [Influenza A virus (A/DK/HK/7/1975(H3))]" 74.07 550 100.00 100.00 1.39e-04 DBJ BAA00770 "hemagglutinin, partial [Influenza A virus (A/Gs/HK/10/1976(H3))]" 74.07 550 100.00 100.00 1.19e-04 DBJ BAA00771 "hemagglutinin, partial [Influenza A virus (A/duck/Hong Kong/64/76(H3))]" 74.07 550 100.00 100.00 1.08e-04 DBJ BAA00772 "hemagglutinin, partial [Influenza A virus (A/duck/Hong Kong/231/77(H3))]" 70.37 550 100.00 100.00 5.18e-04 DBJ BAF33059 "haemagglutinin [Influenza A virus (A/Duck/Hokkaido/8/80 (H3N8))] [Influenza A virus (A/duck/Hokkaido/8/1980(H3N8))]" 74.07 566 100.00 100.00 1.10e-04 EMBL CAA24269 "haemagglutinin [Influenza A virus (A/Aichi/2/1968(H3N2))]" 74.07 566 100.00 100.00 1.03e-04 EMBL CAA24271 "unnamed protein product [Influenza A virus (A/duck/Ukraine/1/1963(H3N8))]" 74.07 566 100.00 100.00 9.41e-05 EMBL CAA24273 "haemagglutinin, partial [Influenza A virus (A/Memphis/102/1972(H3N2))]" 74.07 550 100.00 100.00 2.00e-04 EMBL CAA24291 "haemagluttinin, partial [Influenza A virus (A/NT/60/68/29c(H3N2))]" 74.07 221 100.00 100.00 1.92e-03 EMBL CAC18525 "haemagglutinin [Influenza A virus (A/England/939/69(H3N2)) x (A/PR/8/34(H1N1))]" 74.07 566 100.00 100.00 9.87e-05 GB AAA43143 "hemagglutinin precursor, partial [Influenza A virus (A/duck/5/1977(H3))]" 74.07 550 100.00 100.00 1.01e-04 GB AAA43144 "hemagglutinin precursor, partial [Influenza A virus (A/duck/8/1980(H3))]" 74.07 550 100.00 100.00 1.13e-04 GB AAA43145 "hemagglutinin precursor, partial [Influenza A virus (A/duck/33/1980(H3))]" 74.07 550 100.00 100.00 1.20e-04 GB AAA43146 "hemagglutinin precursor, partial [Influenza A virus (A/duck/7/1982(H3))]" 74.07 550 100.00 100.00 8.26e-05 GB AAA43147 "hemagglutinin precursor, partial [Influenza A virus (A/duck/21/1982(H3))]" 74.07 550 100.00 100.00 9.73e-05 PIR HMIV15 "hemagglutinin precursor - influenza A virus (strain A/duck/ Hokkaido/10/85) (fragment) [Influenza A virus]" 74.07 550 100.00 100.00 9.27e-05 PIR HMIV33 "hemagglutinin precursor - influenza A virus (strain A/duck/ Hokkaido/33/80) (fragment) [Influenza A virus]" 74.07 550 100.00 100.00 1.20e-04 PIR HMIV77 "hemagglutinin precursor - influenza A virus (strain A/duck/ Hokkaido/5/77) (fragment) [Influenza A virus]" 74.07 550 100.00 100.00 1.01e-04 PIR HMIV89 "hemagglutinin precursor - influenza A virus (strain A/duck/ Hokkaido/7/82) (fragment) [Influenza A virus]" 74.07 550 100.00 100.00 8.26e-05 PIR HMIVDU "hemagglutinin precursor - influenza A virus (strain A/duck/ Ukraine/63) [Influenza A virus]" 74.07 566 100.00 100.00 9.41e-05 PRF 0609236A "hemagglutinin [Influenza A virus]" 74.07 566 100.00 100.00 1.03e-04 PRF 0704243B "hemagglutinin HA2 [Influenza A virus]" 74.07 188 100.00 100.00 8.40e-04 SP P03436 "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " 74.07 566 100.00 100.00 8.38e-05 SP P03437 "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " 74.07 566 100.00 100.00 1.03e-04 SP P03438 "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " 74.07 566 100.00 100.00 6.98e-05 SP P03439 "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " 74.07 566 100.00 100.00 1.72e-04 SP P03442 "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " 74.07 566 100.00 100.00 9.41e-05 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Influenza_Fusion_Peptide 'Influenza Virus' 11309 Viruses . Influenza Virus 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 $Influenza_Fusion_Peptide 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type membrane _Details 'The membrane composition: Di-O-tetradecylphosphatidylcholine:Di-O-tetradecylphosphatidylglycerol (4:1).' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Influenza_Fusion_Peptide 20 mM '[U-99% 13C; U-99% 15N]' DTPC 400 mM 'natural abundance' DTPG 100 mM 'natural abundance' HEPES 10 mM 'natural abundance' MES 5 mM 'natural abundance' H2O 27 M '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' . . 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Infinity Plus' _Field_strength 400 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_13C-13C_spin_diffusion_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C spin diffusion' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 233 . K pH 5.0 . pH pressure 1 . atm 'ionic strength' 5 . mM 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 adamantane C 13 'methylene carbon' ppm 40.5 external direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 13C-13C spin diffusion' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Influenza Virus Fusion Peptide, conformer 1' _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 1 GLY C C 171.2 0.5 1 2 1 1 GLY CA C 43.6 0.5 5 3 2 2 LEU C C 177.5 0.5 1 4 2 2 LEU CA C 58.7 0.5 1 5 2 2 LEU CB C 42.4 0.5 1 6 2 2 LEU CD1 C 15.6 0.5 2 7 2 2 LEU CD2 C 15.6 0.5 2 8 2 2 LEU CG C 26.7 0.5 1 9 3 3 PHE C C 178.1 0.5 1 10 3 3 PHE CA C 60.5 0.5 5 11 3 3 PHE CB C 39.7 0.5 5 12 3 3 PHE CD1 C 131.8 0.5 3 13 3 3 PHE CD2 C 131.8 0.5 3 14 3 3 PHE CE1 C 131.8 0.5 3 15 3 3 PHE CE2 C 131.8 0.5 3 16 3 3 PHE CZ C 131.8 0.5 1 17 4 4 GLY C C 175.9 0.5 5 18 4 4 GLY CA C 47.4 0.5 5 19 5 5 ALA C C 179.5 0.5 1 20 5 5 ALA CA C 55.5 0.5 5 21 5 5 ALA CB C 18.6 0.5 5 22 6 6 ILE C C 177.8 0.5 1 23 6 6 ILE CA C 65.6 0.5 1 24 6 6 ILE CB C 38.1 0.5 1 25 6 6 ILE CD1 C 14.7 0.5 1 26 6 6 ILE CG1 C 29.6 0.5 1 27 6 6 ILE CG2 C 18.0 0.5 1 28 7 7 ALA C C 179.3 0.5 1 29 7 7 ALA CA C 55.5 0.5 5 30 7 7 ALA CB C 18.6 0.5 5 31 8 8 GLY C C 175.4 0.5 1 32 8 8 GLY CA C 47.4 0.5 5 33 9 9 PHE C C 178.6 0.5 1 34 9 9 PHE CA C 60.5 0.5 5 35 9 9 PHE CB C 39.7 0.5 5 36 9 9 PHE CD1 C 131.8 0.5 3 37 9 9 PHE CD2 C 131.8 0.5 3 38 9 9 PHE CE1 C 131.8 0.5 3 39 9 9 PHE CE2 C 131.8 0.5 3 40 9 9 PHE CZ C 131.8 0.5 1 41 10 10 ILE C C 178.0 0.5 1 42 10 10 ILE CA C 65.1 0.5 1 43 10 10 ILE CB C 38.2 0.5 1 44 10 10 ILE CD1 C 15.2 0.5 1 45 10 10 ILE CG1 C 30.0 0.5 1 46 10 10 ILE CG2 C 17.9 0.5 1 47 11 11 GLU C C 178.7 0.5 6 48 11 11 GLU CA C 58.8 0.5 6 49 11 11 GLU CB C 28.9 0.5 6 50 11 11 GLU CD C 181.9 0.5 1 51 11 11 GLU CG C 37.2 0.5 6 52 12 12 ASN C C 175.5 0.5 1 53 12 12 ASN CA C 51.4 0.5 1 54 12 12 ASN CB C 39.8 0.5 1 55 12 12 ASN CG C 175.0 0.5 1 56 13 13 GLY C C 174.5 0.5 1 57 13 13 GLY CA C 45.8 0.5 1 58 16 16 GLY C C 175.2 0.5 1 59 20 20 GLY C C 174.7 0.5 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity ',' ',' ',' ',' ',' ',' ',' ',' ',' stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 13C-13C spin diffusion' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Influenza Virus Fusion Peptide, conformer 2' _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 11 11 GLU C C 174.5 0.5 6 2 11 11 GLU CA C 54.0 0.5 6 3 11 11 GLU CB C 32.0 0.5 6 4 11 11 GLU CG C 37.9 0.5 6 stop_ loop_ _Atom_shift_assign_ID_ambiguity ',' ',' ',' ',' ',' ',' ',' ',' ',' stop_ save_