data_18617 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformational ensemble for the G8A mutant of the influenza hemagglutinin fusion peptide ; _BMRB_accession_number 18617 _BMRB_flat_file_name bmr18617.str _Entry_type original _Submission_date 2012-07-26 _Accession_date 2012-07-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The 3-conformer ensemble for the G8A mutant of the hemagglutinin fusion peptide refined with chemical shift dihedral restraints, RDCs and NOEs.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lorieau Justin L. . 2 Louis John M. . 3 Schwieters Charles D. . 4 Bax Ad . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 51 "13C chemical shifts" 23 "15N chemical shifts" 21 "T1 relaxation values" 42 "T2 relaxation values" 42 "H exchange rates" 21 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-13 update author 'add R1, R2, NOE, and hydrogen exchange, data' 2013-03-11 update BMRB 'update formula weight' 2013-01-16 update BMRB 'update residue sequence based on PDB entry, and citation' 2012-12-04 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16907 'The hemagglutinin fusion peptide (H1 subtype) at pH 7.4' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'pH-triggered, activated-state conformations of the influenza hemagglutinin fusion peptide revealed by NMR' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23169643 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lorieau Justin L. . 2 Louis John M. . 3 Schwieters Charles D. . 4 Bax Ad . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 109 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19994 _Page_last 19999 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'G8A mutant of the influenza hemagglutinin fusion peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 1' $Hemagglutinin_Fusion_Peptide_G8A_mutant 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 2' $Hemagglutinin_Fusion_Peptide_G8A_mutant 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 3' $Hemagglutinin_Fusion_Peptide_G8A_mutant 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_Hemagglutinin_Fusion_Peptide_G8A_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hemagglutinin_Fusion_Peptide_G8A_mutant _Molecular_mass 3165.648 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; GLFGAIAAFIEGGWTGMIDG WYGSGKKKKD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 LEU 3 PHE 4 GLY 5 ALA 6 ILE 7 ALA 8 ALA 9 PHE 10 ILE 11 GLU 12 GLY 13 GLY 14 TRP 15 THR 16 GLY 17 MET 18 ILE 19 ASP 20 GLY 21 TRP 22 TYR 23 GLY 24 SER 25 GLY 26 LYS 27 LYS 28 LYS 29 LYS 30 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 2LWA "Conformational Ensemble For The G8a Mutant Of The Influenza Hemagglutinin Fusion Peptide" 100.00 30 100.00 100.00 2.06e-10 GB AEL63841 "hemagglutinin [Influenza A virus (A/Muscovy duck/New York/99159/2005(H1N1))]" 50.00 566 100.00 100.00 2.20e-02 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Details $Hemagglutinin_Fusion_Peptide_G8A_mutant 'Influenza A virus' 11320 Viruses . 'Influenzavirus A' 'Influenza A virus' H1 'G8A mutant of the fusion peptide' 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 $Hemagglutinin_Fusion_Peptide_G8A_mutant 'recombinant technology' . Escherichia coli BL21-DE3 pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 7.3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Hemagglutinin_Fusion_Peptide_G8A_mutant . mM 0.3 0.6 '[U-100% 13C; U-100% 15N]' TRIS 25 mM . . 'natural abundance' DPC . mM 130 160 '[U-100% 2H]' D2O 7 % . . 'natural abundance' H2O 93 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 7.5 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 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.31 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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 'ionic strength' 0 . M pH 7.3 0.1 pH pressure 1 . atm temperature 305.0 0.1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7.4 0.1 pH pressure 1 . atm temperature 305.0 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Experiment_label '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D HNCA' '3D 1H-15N NOESY' 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 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 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 HA2 H 4.03 0.01 2 2 1 1 GLY HA3 H 3.8 0.01 2 3 1 1 GLY CA C 43.9 0.1 1 4 2 2 LEU HA H 4.12 0.01 1 5 2 2 LEU CA C 58.6 0.1 1 6 3 3 PHE H H 8.94 0.01 1 7 3 3 PHE HA H 4.26 0.01 1 8 3 3 PHE CA C 61.6 0.1 1 9 3 3 PHE N N 117.1 0.1 1 10 4 4 GLY H H 8.52 0.01 1 11 4 4 GLY HA2 H 4.01 0.01 2 12 4 4 GLY HA3 H 3.84 0.01 2 13 4 4 GLY CA C 46.9 0.1 1 14 4 4 GLY N N 107.3 0.1 1 15 5 5 ALA H H 8.12 0.01 1 16 5 5 ALA HA H 4.26 0.01 1 17 5 5 ALA CA C 55.1 0.1 1 18 5 5 ALA N N 124.9 0.1 1 19 6 6 ILE H H 8.04 0.01 1 20 6 6 ILE HA H 3.76 0.01 1 21 6 6 ILE CA C 65.1 0.1 1 22 6 6 ILE N N 117.7 0.1 1 23 7 7 ALA H H 8.34 0.01 1 24 7 7 ALA HA H 3.97 0.01 1 25 7 7 ALA CA C 55.5 0.1 1 26 7 7 ALA N N 121.4 0.1 1 27 8 8 ALA H H 7.87 0.01 1 28 8 8 ALA HA H 4.23 0.01 1 29 8 8 ALA CA C 54.6 0.1 1 30 8 8 ALA N N 118.5 0.1 1 31 9 9 PHE H H 8.06 0.01 1 32 9 9 PHE HA H 4.4 0.01 1 33 9 9 PHE CA C 60.6 0.1 1 34 9 9 PHE N N 120 0.1 1 35 10 10 ILE H H 8.14 0.01 1 36 10 10 ILE HA H 3.74 0.01 1 37 10 10 ILE CA C 64.1 0.1 1 38 10 10 ILE N N 117.8 0.1 1 39 11 11 GLU H H 7.93 0.01 1 40 11 11 GLU HA H 4.12 0.01 1 41 11 11 GLU CA C 58.6 0.1 1 42 11 11 GLU N N 118.8 0.1 1 43 12 12 GLY H H 8.06 0.01 1 44 12 12 GLY HA2 H 4.16 0.01 2 45 12 12 GLY HA3 H 3.87 0.01 2 46 12 12 GLY CA C 45.8 0.1 1 47 12 12 GLY N N 105.3 0.1 1 48 13 13 GLY H H 8.22 0.01 1 49 13 13 GLY HA2 H 4.01 0.01 2 50 13 13 GLY HA3 H 3.69 0.01 2 51 13 13 GLY CA C 45.6 0.1 1 52 13 13 GLY N N 109.5 0.1 1 53 14 14 TRP H H 8.47 0.01 1 54 14 14 TRP HA H 4.47 0.01 1 55 14 14 TRP CA C 59.7 0.1 1 56 14 14 TRP N N 121.5 0.1 1 57 15 15 THR H H 8.16 0.01 1 58 15 15 THR HA H 3.91 0.01 1 59 15 15 THR CA C 65.4 0.1 1 60 15 15 THR N N 112.2 0.1 1 61 16 16 GLY H H 7.82 0.01 1 62 16 16 GLY HA2 H 3.98 0.01 2 63 16 16 GLY HA3 H 3.79 0.01 2 64 16 16 GLY CA C 46.6 0.1 1 65 16 16 GLY N N 109.3 0.1 1 66 17 17 MET H H 7.95 0.01 1 67 17 17 MET HA H 4.23 0.01 1 68 17 17 MET CA C 58.3 0.1 1 69 17 17 MET N N 120.8 0.1 1 70 18 18 ILE H H 7.89 0.01 1 71 18 18 ILE HA H 3.93 0.01 1 72 18 18 ILE CA C 63.5 0.1 1 73 18 18 ILE N N 117.5 0.1 1 74 19 19 ASP H H 8.15 0.01 1 75 19 19 ASP HA H 4.54 0.01 1 76 19 19 ASP CA C 57 0.1 1 77 19 19 ASP N N 120.7 0.1 1 78 20 20 GLY H H 8.17 0.01 1 79 20 20 GLY HA2 H 3.94 0.01 2 80 20 20 GLY HA3 H 3.86 0.01 2 81 20 20 GLY CA C 46.4 0.1 1 82 20 20 GLY N N 107 0.1 1 83 21 21 TRP H H 8.13 0.01 1 84 21 21 TRP HA H 4.5 0.01 1 85 21 21 TRP CA C 59.2 0.1 1 86 21 21 TRP N N 121.7 0.1 1 87 22 22 TYR H H 8.16 0.01 1 88 22 22 TYR HA H 4.35 0.01 1 89 22 22 TYR CA C 59.4 0.1 1 90 22 22 TYR N N 116.1 0.1 1 91 23 23 GLY H H 8.04 0.01 1 92 23 23 GLY HA2 H 4.03 0.01 1 93 23 23 GLY HA3 H 4.03 0.01 1 94 23 23 GLY CA C 45.8 0.1 1 95 23 23 GLY N N 108.4 0.1 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T1_coherence_type NzHz _T1_value_units s-1 _Mol_system_component_name 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 PHE N 1.51 0.03 2 4 GLY N 1.46 0.01 3 5 ALA N 1.5 0.01 4 6 ILE N 1.43 0 5 7 ALA N 1.47 0.01 6 8 ALA N 1.44 0.01 7 9 PHE N 1.37 0.01 8 10 ILE N 1.44 0.01 9 11 GLU N 1.45 0 10 12 GLY N 1.4 0.02 11 13 GLY N 1.42 0.01 12 14 TRP N 1.49 0.01 13 15 THR N 1.48 0.01 14 16 GLY N 1.46 0.02 15 17 MET N 1.51 0 16 18 ILE N 1.52 0.01 17 19 ASP N 1.53 0 18 20 GLY N 1.55 0.04 19 21 TRP N 1.55 0.01 20 22 TYR N 1.61 0.01 21 23 GLY N 1.51 0.01 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 900 _T1_coherence_type NzHz _T1_value_units s-1 _Mol_system_component_name 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 PHE N 1.11 0.015 2 4 GLY N 1.05 0.010 3 5 ALA N 1.11 0.010 4 6 ILE N 0.98 0.005 5 7 ALA N 1.05 0.002 6 8 ALA N 1.01 0.002 7 9 PHE N 0.98 0.004 8 10 ILE N 1.01 0.002 9 11 GLU N 1.03 0.005 10 12 GLY N 1.04 0.013 11 13 GLY N 1.08 0.025 12 14 TRP N 1.07 0.008 13 15 THR N 1.08 0.035 14 16 GLY N 1.08 0.019 15 17 MET N 1.1 0.006 16 18 ILE N 1.09 0.003 17 19 ASP N 1.12 0.009 18 20 GLY N 1.13 0.018 19 21 TRP N 1.15 0.012 20 22 TYR N 1.18 0.010 21 23 GLY N 1.19 0.021 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 1' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 PHE N 9.26 0.07 . . 2 4 GLY N 9.87 0.09 . . 3 5 ALA N 10.75 0.17 . . 4 6 ILE N 10.12 0.09 . . 5 7 ALA N 10.43 0.06 . . 6 8 ALA N 10.51 0.03 . . 7 9 PHE N 10.67 0.03 . . 8 10 ILE N 10.5 0.2 . . 9 11 GLU N 10.55 0.08 . . 10 12 GLY N 9.57 0.08 . . 11 13 GLY N 9.94 0.08 . . 12 14 TRP N 9.83 0.15 . . 13 15 THR N 9.83 0.11 . . 14 16 GLY N 9.96 0.23 . . 15 17 MET N 9.86 0.1 . . 16 18 ILE N 9.46 0.03 . . 17 19 ASP N 9.52 0.09 . . 18 20 GLY N 9.05 0.1 . . 19 21 TRP N 8.84 0.12 . . 20 22 TYR N 8.47 0.02 . . 21 23 GLY N 6.89 0.11 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 900 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 1' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 PHE N 12.23 0.19 . . 2 4 GLY N 13.66 0.11 . . 3 5 ALA N 14.38 0.19 . . 4 6 ILE N 13.13 0.10 . . 5 7 ALA N 13.78 0.09 . . 6 8 ALA N 13.88 0.07 . . 7 9 PHE N 14.25 0.09 . . 8 10 ILE N 13.72 0.15 . . 9 11 GLU N 14.77 0.07 . . 10 12 GLY N 12.68 0.13 . . 11 13 GLY N 13.17 0.08 . . 12 14 TRP N 13.17 0.12 . . 13 15 THR N 13.29 0.16 . . 14 16 GLY N 13.37 0.12 . . 15 17 MET N 13.40 0.02 . . 16 18 ILE N 12.69 0.06 . . 17 19 ASP N 12.99 0.08 . . 18 20 GLY N 11.87 0.15 . . 19 21 TRP N 11.93 0.06 . . 20 22 TYR N 11.34 0.03 . . 21 23 GLY N 9.57 0.11 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description 'amide 15N NOE' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 PHE 0.74 0.03 4 GLY 0.68 0.06 5 ALA 0.69 0.03 6 ILE 0.66 0.04 7 ALA 0.67 0.03 8 ALA 0.77 0.03 9 PHE 0.68 0.04 10 ILE 0.67 0.04 11 GLU 0.63 0.04 12 GLY 0.63 0.04 13 GLY 0.64 0.06 14 TRP 0.76 0.04 15 THR 0.68 0.04 16 GLY 0.68 0.05 17 MET 0.68 0.03 18 ILE 0.66 0.03 19 ASP 0.69 0.03 20 GLY 0.71 0.04 21 TRP 0.69 0.03 22 TYR 0.64 0.03 23 GLY 0.52 0.06 stop_ save_ save_H_exch_rates _Saveframe_category H_exchange_rates _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _H_exchange_rate_units s-1 _Mol_system_component_name 'Hemagglutinin_Fusion_Peptide_G8A_mutant, strand 1' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _H_exchange_rate_value _H_exchange_rate_min_value _H_exchange_rate_max_value _H_exchange_rate_value_error 3 PHE H 1.6597264 . . . 4 GLY H 3.2605001 . . . 5 ALA H 0.81270791 . . . 6 ILE H 0.044882883 . . . 7 ALA H 0.039288683 . . . 8 ALA H 0.15703976 . . . 9 PHE H 0.0081507474 . . . 10 ILE H 0.010926358 . . . 11 GLU H 0.093062416 . . . 12 GLY H 1.5324392 . . . 13 GLY H 3.5926749 . . . 14 TRP H 1.06435 . . . 15 THR H 2.2184766 . . . 16 GLY H 3.5827107 . . . 17 MET H 0.77382589 . . . 18 ILE H 0.25436735 . . . 19 ASP H 0.53750551 . . . 20 GLY H 2.1645875 . . . 21 TRP H 0.57969072 . . . 22 TYR H 0.84076207 . . . 23 GLY H 3.6351243 . . . stop_ save_