data_7154 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7154 _Entry.Title ; NMR spectroscopy of T4 Lysozyme peptide fragments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-07 _Entry.Accession_date 2006-06-07 _Entry.Last_release_date 2006-06-07 _Entry.Original_release_date 2006-06-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.14.0 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Najbar . V. . . 7154 2 D. Craik . J. . . 7154 3 J. Wade . D. . . 7154 4 M. McLeish . J. . . 7154 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7154 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 105 7154 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-03-18 2006-06-07 update BMRB 'update atom type of rows 5 ARG HH11 and HH12' 7154 1 . . 2008-11-12 2006-06-07 original author 'original release' 7154 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7155 'helix G (lys 124-137)' 7154 BMRB 7156 'helix H (lys 136-157)' 7154 BMRB 7157 'helix F (lys 113-125)' 7154 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7154 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 10801343 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Identification of initiation sites for T4 lysozyme folding using CD and NMR spectroscopy of peptide fragments ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 39 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5911 _Citation.Page_last 5920 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L. Najbar . V. . . 7154 1 2 D. Craik . J. . . 7154 1 3 J. Wade . D. . . 7154 1 4 M. McLeish . J. . . 7154 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7154 _Assembly.ID 1 _Assembly.Name 'HELIX E' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fragment corresponding to Lys Helix E (residues 92-107)' 1 $HELIX_E . . yes unfolded no no . . . 7154 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HELIX_E _Entity.Sf_category entity _Entity.Sf_framecode HELIX_E _Entity.Entry_ID 7154 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'helix E (lys 92-107)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DAVRRAALINMVFQMG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 92 ASP . 7154 1 2 93 ALA . 7154 1 3 94 VAL . 7154 1 4 95 ARG . 7154 1 5 96 ARG . 7154 1 6 97 ALA . 7154 1 7 98 ALA . 7154 1 8 99 LEU . 7154 1 9 100 ILE . 7154 1 10 101 ASN . 7154 1 11 102 MET . 7154 1 12 103 VAL . 7154 1 13 104 PHE . 7154 1 14 105 GLN . 7154 1 15 106 MET . 7154 1 16 107 GLY . 7154 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 7154 1 . ALA 2 2 7154 1 . VAL 3 3 7154 1 . ARG 4 4 7154 1 . ARG 5 5 7154 1 . ALA 6 6 7154 1 . ALA 7 7 7154 1 . LEU 8 8 7154 1 . ILE 9 9 7154 1 . ASN 10 10 7154 1 . MET 11 11 7154 1 . VAL 12 12 7154 1 . PHE 13 13 7154 1 . GLN 14 14 7154 1 . MET 15 15 7154 1 . GLY 16 16 7154 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7154 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HELIX_E . . . no . . . . . . . . . . . . . . . . . . . . . 7154 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7154 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HELIX_E . 'chemical synthesis' . . . . . . . . . . . . . . . . 7154 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7154 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'helix E (lys 92-107)' . . . 1 $HELIX_E . . . 1 2 mM . . . . 7154 1 2 TFE . . . . . . . 50 . . % . . . . 7154 1 3 H2O . . . . . . . 45 . . % . . . . 7154 1 4 D2O . . . . . . . 5 . . % . . . . 7154 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7154 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH . . . 7154 1 temperature 288 0 K 7154 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7154 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 7154 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 . . . 7154 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 7154 _Experiment_list.ID 1 _Experiment_list.Details 'experiment information not available' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 unknown no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 7154 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7154 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . 7154 1 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7154 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 unknown 1 $sample_1 isotropic 7154 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ASP HA H 1 4.30 . . . . . . . . 92 ASP HA . 7154 1 2 . 1 . 1 1 1 ASP HB2 H 1 3.09 . . . . . . . . 92 ASP HB2 . 7154 1 3 . 1 . 1 1 1 ASP HB3 H 1 2.99 . . . . . . . . 92 ASP HB3 . 7154 1 4 . 1 . 1 2 2 ALA H H 1 8.86 . . . . . . . . 93 ALA H . 7154 1 5 . 1 . 1 2 2 ALA HA H 1 4.26 . . . . . . . . 93 ALA HA . 7154 1 6 . 1 . 1 2 2 ALA HB1 H 1 1.50 . . . . . . . . 93 ALA HB . 7154 1 7 . 1 . 1 2 2 ALA HB2 H 1 1.50 . . . . . . . . 93 ALA HB . 7154 1 8 . 1 . 1 2 2 ALA HB3 H 1 1.50 . . . . . . . . 93 ALA HB . 7154 1 9 . 1 . 1 3 3 VAL H H 1 7.77 . . . . . . . . 94 VAL H . 7154 1 10 . 1 . 1 3 3 VAL HA H 1 3.84 . . . . . . . . 94 VAL HA . 7154 1 11 . 1 . 1 3 3 VAL HB H 1 2.16 . . . . . . . . 94 VAL HB . 7154 1 12 . 1 . 1 3 3 VAL HG11 H 1 1.06 . . . . . . . . 94 VAL HG1 . 7154 1 13 . 1 . 1 3 3 VAL HG12 H 1 1.06 . . . . . . . . 94 VAL HG1 . 7154 1 14 . 1 . 1 3 3 VAL HG13 H 1 1.06 . . . . . . . . 94 VAL HG1 . 7154 1 15 . 1 . 1 3 3 VAL HG21 H 1 0.99 . . . . . . . . 94 VAL HG2 . 7154 1 16 . 1 . 1 3 3 VAL HG22 H 1 0.99 . . . . . . . . 94 VAL HG2 . 7154 1 17 . 1 . 1 3 3 VAL HG23 H 1 0.99 . . . . . . . . 94 VAL HG2 . 7154 1 18 . 1 . 1 4 4 ARG H H 1 7.99 . . . . . . . . 95 ARG H . 7154 1 19 . 1 . 1 4 4 ARG HA H 1 4.16 . . . . . . . . 95 ARG HA . 7154 1 20 . 1 . 1 4 4 ARG HB2 H 1 1.88 . . . . . . . . 95 ARG HB2 . 7154 1 21 . 1 . 1 4 4 ARG HG2 H 1 1.83 . . . . . . . . 95 ARG HG2 . 7154 1 22 . 1 . 1 4 4 ARG HG3 H 1 1.83 . . . . . . . . 95 ARG HG3 . 7154 1 23 . 1 . 1 4 4 ARG HD2 H 1 3.24 . . . . . . . . 95 ARG HD2 . 7154 1 24 . 1 . 1 4 4 ARG HD3 H 1 3.24 . . . . . . . . 95 ARG HD3 . 7154 1 25 . 1 . 1 4 4 ARG HH11 H 1 7.16 . . . . . . . . 95 ARG HH1 . 7154 1 26 . 1 . 1 4 4 ARG HH12 H 1 6.57 . . . . . . . . 95 ARG HH2 . 7154 1 27 . 1 . 1 5 5 ARG H H 1 7.94 . . . . . . . . 96 ARG H . 7154 1 28 . 1 . 1 5 5 ARG HA H 1 4.07 . . . . . . . . 96 ARG HA . 7154 1 29 . 1 . 1 5 5 ARG HB2 H 1 1.91 . . . . . . . . 96 ARG HB2 . 7154 1 30 . 1 . 1 5 5 ARG HG2 H 1 1.78 . . . . . . . . 96 ARG HG2 . 7154 1 31 . 1 . 1 5 5 ARG HG3 H 1 1.68 . . . . . . . . 96 ARG HG3 . 7154 1 32 . 1 . 1 5 5 ARG HD2 H 1 3.24 . . . . . . . . 96 ARG HD2 . 7154 1 33 . 1 . 1 5 5 ARG HD3 H 1 3.24 . . . . . . . . 96 ARG HD3 . 7154 1 34 . 1 . 1 5 5 ARG HH11 H 1 7.16 . . . . . . . . 96 ARG HH1 . 7154 1 35 . 1 . 1 5 5 ARG HH12 H 1 6.57 . . . . . . . . 96 ARG HH2 . 7154 1 36 . 1 . 1 6 6 ALA H H 1 8.02 . . . . . . . . 97 ALA H . 7154 1 37 . 1 . 1 6 6 ALA HA H 1 4.09 . . . . . . . . 97 ALA HA . 7154 1 38 . 1 . 1 6 6 ALA HB1 H 1 1.51 . . . . . . . . 97 ALA HB . 7154 1 39 . 1 . 1 6 6 ALA HB2 H 1 1.51 . . . . . . . . 97 ALA HB . 7154 1 40 . 1 . 1 6 6 ALA HB3 H 1 1.51 . . . . . . . . 97 ALA HB . 7154 1 41 . 1 . 1 7 7 ALA H H 1 8.08 . . . . . . . . 98 ALA H . 7154 1 42 . 1 . 1 7 7 ALA HA H 1 4.16 . . . . . . . . 98 ALA HA . 7154 1 43 . 1 . 1 7 7 ALA HB1 H 1 1.55 . . . . . . . . 98 ALA HB . 7154 1 44 . 1 . 1 7 7 ALA HB2 H 1 1.55 . . . . . . . . 98 ALA HB . 7154 1 45 . 1 . 1 7 7 ALA HB3 H 1 1.55 . . . . . . . . 98 ALA HB . 7154 1 46 . 1 . 1 8 8 LEU H H 1 7.97 . . . . . . . . 99 LEU H . 7154 1 47 . 1 . 1 8 8 LEU HA H 1 4.20 . . . . . . . . 99 LEU HA . 7154 1 48 . 1 . 1 8 8 LEU HB2 H 1 1.81 . . . . . . . . 99 LEU HB2 . 7154 1 49 . 1 . 1 8 8 LEU HG H 1 1.76 . . . . . . . . 99 LEU HG . 7154 1 50 . 1 . 1 8 8 LEU HD11 H 1 0.94 . . . . . . . . 99 LEU HD1 . 7154 1 51 . 1 . 1 8 8 LEU HD12 H 1 0.94 . . . . . . . . 99 LEU HD1 . 7154 1 52 . 1 . 1 8 8 LEU HD13 H 1 0.94 . . . . . . . . 99 LEU HD1 . 7154 1 53 . 1 . 1 9 9 ILE H H 1 8.19 . . . . . . . . 100 ILE H . 7154 1 54 . 1 . 1 9 9 ILE HA H 1 3.72 . . . . . . . . 100 ILE HA . 7154 1 55 . 1 . 1 9 9 ILE HB H 1 1.92 . . . . . . . . 100 ILE HB . 7154 1 56 . 1 . 1 9 9 ILE HG13 H 1 1.19 . . . . . . . . 100 ILE HG13 . 7154 1 57 . 1 . 1 9 9 ILE HG21 H 1 0.91 . . . . . . . . 100 ILE HG2 . 7154 1 58 . 1 . 1 9 9 ILE HG22 H 1 0.91 . . . . . . . . 100 ILE HG2 . 7154 1 59 . 1 . 1 9 9 ILE HG23 H 1 0.91 . . . . . . . . 100 ILE HG2 . 7154 1 60 . 1 . 1 9 9 ILE HD11 H 1 0.87 . . . . . . . . 100 ILE HD1 . 7154 1 61 . 1 . 1 9 9 ILE HD12 H 1 0.87 . . . . . . . . 100 ILE HD1 . 7154 1 62 . 1 . 1 9 9 ILE HD13 H 1 0.87 . . . . . . . . 100 ILE HD1 . 7154 1 63 . 1 . 1 10 10 ASN H H 1 8.05 . . . . . . . . 101 ASN H . 7154 1 64 . 1 . 1 10 10 ASN HA H 1 4.51 . . . . . . . . 101 ASN HA . 7154 1 65 . 1 . 1 10 10 ASN HB2 H 1 2.93 . . . . . . . . 101 ASN HB2 . 7154 1 66 . 1 . 1 10 10 ASN HB3 H 1 2.81 . . . . . . . . 101 ASN HB3 . 7154 1 67 . 1 . 1 10 10 ASN HD21 H 1 7.40 . . . . . . . . 101 ASN HD21 . 7154 1 68 . 1 . 1 10 10 ASN HD22 H 1 6.40 . . . . . . . . 101 ASN HD22 . 7154 1 69 . 1 . 1 11 11 MET H H 1 8.05 . . . . . . . . 102 MET H . 7154 1 70 . 1 . 1 11 11 MET HA H 1 4.24 . . . . . . . . 102 MET HA . 7154 1 71 . 1 . 1 11 11 MET HB2 H 1 2.33 . . . . . . . . 102 MET HB2 . 7154 1 72 . 1 . 1 11 11 MET HG2 H 1 2.72 . . . . . . . . 102 MET HG2 . 7154 1 73 . 1 . 1 11 11 MET HG3 H 1 2.60 . . . . . . . . 102 MET HG3 . 7154 1 74 . 1 . 1 12 12 VAL H H 1 8.34 . . . . . . . . 103 VAL H . 7154 1 75 . 1 . 1 12 12 VAL HA H 1 3.70 . . . . . . . . 103 VAL HA . 7154 1 76 . 1 . 1 12 12 VAL HB H 1 2.16 . . . . . . . . 103 VAL HB . 7154 1 77 . 1 . 1 12 12 VAL HG11 H 1 1.04 . . . . . . . . 103 VAL HG1 . 7154 1 78 . 1 . 1 12 12 VAL HG12 H 1 1.04 . . . . . . . . 103 VAL HG1 . 7154 1 79 . 1 . 1 12 12 VAL HG13 H 1 1.04 . . . . . . . . 103 VAL HG1 . 7154 1 80 . 1 . 1 12 12 VAL HG21 H 1 0.78 . . . . . . . . 103 VAL HG2 . 7154 1 81 . 1 . 1 12 12 VAL HG22 H 1 0.78 . . . . . . . . 103 VAL HG2 . 7154 1 82 . 1 . 1 12 12 VAL HG23 H 1 0.78 . . . . . . . . 103 VAL HG2 . 7154 1 83 . 1 . 1 13 13 PHE H H 1 8.83 . . . . . . . . 104 PHE H . 7154 1 84 . 1 . 1 13 13 PHE HA H 1 4.45 . . . . . . . . 104 PHE HA . 7154 1 85 . 1 . 1 13 13 PHE HB2 H 1 3.28 . . . . . . . . 104 PHE HB2 . 7154 1 86 . 1 . 1 13 13 PHE HB3 H 1 3.21 . . . . . . . . 104 PHE HB3 . 7154 1 87 . 1 . 1 13 13 PHE HD1 H 1 7.30 . . . . . . . . 104 PHE HD1 . 7154 1 88 . 1 . 1 13 13 PHE HD2 H 1 7.30 . . . . . . . . 104 PHE HD2 . 7154 1 89 . 1 . 1 13 13 PHE HE1 H 1 7.38 . . . . . . . . 104 PHE HE1 . 7154 1 90 . 1 . 1 13 13 PHE HE2 H 1 7.38 . . . . . . . . 104 PHE HE2 . 7154 1 91 . 1 . 1 13 13 PHE HZ H 1 7.34 . . . . . . . . 104 PHE HZ . 7154 1 92 . 1 . 1 14 14 GLN H H 1 8.05 . . . . . . . . 105 GLN H . 7154 1 93 . 1 . 1 14 14 GLN HA H 1 4.24 . . . . . . . . 105 GLN HA . 7154 1 94 . 1 . 1 14 14 GLN HB2 H 1 2.25 . . . . . . . . 105 GLN HB2 . 7154 1 95 . 1 . 1 14 14 GLN HG2 H 1 2.50 . . . . . . . . 105 GLN HG2 . 7154 1 96 . 1 . 1 14 14 GLN HG3 H 1 2.50 . . . . . . . . 105 GLN HG3 . 7154 1 97 . 1 . 1 14 14 GLN HE21 H 1 7.60 . . . . . . . . 105 GLN HE21 . 7154 1 98 . 1 . 1 14 14 GLN HE22 H 1 6.80 . . . . . . . . 105 GLN HE22 . 7154 1 99 . 1 . 1 15 15 MET H H 1 8.16 . . . . . . . . 106 MET H . 7154 1 100 . 1 . 1 15 15 MET HA H 1 4.50 . . . . . . . . 106 MET HA . 7154 1 101 . 1 . 1 15 15 MET HB2 H 1 2.20 . . . . . . . . 106 MET HB2 . 7154 1 102 . 1 . 1 15 15 MET HG2 H 1 2.77 . . . . . . . . 106 MET HG2 . 7154 1 103 . 1 . 1 15 15 MET HG3 H 1 2.66 . . . . . . . . 106 MET HG3 . 7154 1 104 . 1 . 1 16 16 GLY H H 1 7.80 . . . . . . . . 107 GLY H . 7154 1 105 . 1 . 1 16 16 GLY HA2 H 1 4.00 . . . . . . . . 107 GLY HA2 . 7154 1 stop_ save_