data_7152 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7152 _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 2008-11-12 _Entry.Original_release_date 2008-11-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 L. Najbar . V. . 7152 2 D. Craik . J. . 7152 3 J. Wade . D. . 7152 4 M. McLeish . J. . 7152 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7152 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 88 7152 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 1 . . 2008-11-12 2006-06-07 original author . 7152 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7152 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10801343 _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.Entry_ID _Citation_author.Citation_ID 1 L. Najbar . V. . 7152 1 2 D. Craik . J. . 7152 1 3 J. Wade . D. . 7152 1 4 M. McLeish . J. . 7152 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7152 _Assembly.ID 1 _Assembly.Name 'HELIX D' _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 D (residues 81-92)' 1 $HELIX_D . . yes unfolded no no . . . 7152 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HELIX_D _Entity.Sf_category entity _Entity.Sf_framecode HELIX_D _Entity.Entry_ID 7152 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'helix D (lys 81-92)' _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 NAKLKPVYDSLD _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 12 _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 1 ASN . 7152 1 2 2 ALA . 7152 1 3 3 LYS . 7152 1 4 4 LEU . 7152 1 5 5 LYS . 7152 1 6 6 PRO . 7152 1 7 7 VAL . 7152 1 8 8 TYR . 7152 1 9 9 ASP . 7152 1 10 10 SER . 7152 1 11 11 LEU . 7152 1 12 12 ASP . 7152 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 . ASN 1 1 7152 1 . ALA 2 2 7152 1 . LYS 3 3 7152 1 . LEU 4 4 7152 1 . LYS 5 5 7152 1 . PRO 6 6 7152 1 . VAL 7 7 7152 1 . TYR 8 8 7152 1 . ASP 9 9 7152 1 . SER 10 10 7152 1 . LEU 11 11 7152 1 . ASP 12 12 7152 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 7152 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HELIX_D . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7152 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 7152 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HELIX_D . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7152 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7152 _Sample.ID 1 _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 D (lys 81-92)' . . . 1 $HELIX_D . . . 1 2 mM . . . . 7152 1 2 TFE . . . . . . . 15 . . % . . . . 7152 1 3 H2O . . . . . . . 75 . . % . . . . 7152 1 4 D2O . . . . . . . 10 . . % . . . . 7152 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 7152 _Sample_condition_list.ID 1 _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 . . . 7152 1 temperature 283 0 K 7152 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 7152 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7152 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 7152 _Assigned_chem_shift_list.ID 1 _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 $sample_1 isotropic 7152 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 2 2 ALA H H 1 8.79 . . . . . . . 2 ALA H . 7152 1 2 . 1 1 2 2 ALA HA H 1 4.33 . . . . . . . 2 ALA HA . 7152 1 3 . 1 1 2 2 ALA HB1 H 1 1.38 . . . . . . . 2 ALA HB . 7152 1 4 . 1 1 2 2 ALA HB2 H 1 1.38 . . . . . . . 2 ALA HB . 7152 1 5 . 1 1 2 2 ALA HB3 H 1 1.38 . . . . . . . 2 ALA HB . 7152 1 6 . 1 1 3 3 LYS H H 1 8.41 . . . . . . . 3 LYS H . 7152 1 7 . 1 1 3 3 LYS HA H 1 4.24 . . . . . . . 3 LYS HA . 7152 1 8 . 1 1 3 3 LYS HB2 H 1 1.80 . . . . . . . 3 LYS HB2 . 7152 1 9 . 1 1 3 3 LYS HB3 H 1 1.68 . . . . . . . 3 LYS HB3 . 7152 1 10 . 1 1 3 3 LYS HG2 H 1 1.45 . . . . . . . 3 LYS HG2 . 7152 1 11 . 1 1 3 3 LYS HG3 H 1 1.45 . . . . . . . 3 LYS HG3 . 7152 1 12 . 1 1 3 3 LYS HD2 H 1 1.70 . . . . . . . 3 LYS HD2 . 7152 1 13 . 1 1 3 3 LYS HD3 H 1 1.70 . . . . . . . 3 LYS HD3 . 7152 1 14 . 1 1 3 3 LYS HE2 H 1 2.99 . . . . . . . 3 LYS HE2 . 7152 1 15 . 1 1 3 3 LYS HE3 H 1 2.99 . . . . . . . 3 LYS HE3 . 7152 1 16 . 1 1 3 3 LYS HZ1 H 1 7.60 . . . . . . . 3 LYS HZ . 7152 1 17 . 1 1 3 3 LYS HZ2 H 1 7.60 . . . . . . . 3 LYS HZ . 7152 1 18 . 1 1 3 3 LYS HZ3 H 1 7.60 . . . . . . . 3 LYS HZ . 7152 1 19 . 1 1 4 4 LEU H H 1 8.28 . . . . . . . 4 LEU H . 7152 1 20 . 1 1 4 4 LEU HA H 1 4.38 . . . . . . . 4 LEU HA . 7152 1 21 . 1 1 4 4 LEU HB2 H 1 1.65 . . . . . . . 4 LEU HB2 . 7152 1 22 . 1 1 4 4 LEU HB3 H 1 1.65 . . . . . . . 4 LEU HB3 . 7152 1 23 . 1 1 4 4 LEU HG H 1 1.62 . . . . . . . 4 LEU HG . 7152 1 24 . 1 1 4 4 LEU HD11 H 1 0.90 . . . . . . . 4 LEU HD1 . 7152 1 25 . 1 1 4 4 LEU HD12 H 1 0.90 . . . . . . . 4 LEU HD1 . 7152 1 26 . 1 1 4 4 LEU HD13 H 1 0.90 . . . . . . . 4 LEU HD1 . 7152 1 27 . 1 1 4 4 LEU HD21 H 1 0.85 . . . . . . . 4 LEU HD2 . 7152 1 28 . 1 1 4 4 LEU HD22 H 1 0.85 . . . . . . . 4 LEU HD2 . 7152 1 29 . 1 1 4 4 LEU HD23 H 1 0.85 . . . . . . . 4 LEU HD2 . 7152 1 30 . 1 1 5 5 LYS H H 1 8.34 . . . . . . . 5 LYS H . 7152 1 31 . 1 1 5 5 LYS HA H 1 4.57 . . . . . . . 5 LYS HA . 7152 1 32 . 1 1 5 5 LYS HB2 H 1 1.80 . . . . . . . 5 LYS HB2 . 7152 1 33 . 1 1 5 5 LYS HB3 H 1 1.68 . . . . . . . 5 LYS HB3 . 7152 1 34 . 1 1 5 5 LYS HG2 H 1 1.45 . . . . . . . 5 LYS HG2 . 7152 1 35 . 1 1 5 5 LYS HG3 H 1 1.45 . . . . . . . 5 LYS HG3 . 7152 1 36 . 1 1 5 5 LYS HD2 H 1 1.70 . . . . . . . 5 LYS HD2 . 7152 1 37 . 1 1 5 5 LYS HD3 H 1 1.70 . . . . . . . 5 LYS HD3 . 7152 1 38 . 1 1 5 5 LYS HE2 H 1 2.99 . . . . . . . 5 LYS HE2 . 7152 1 39 . 1 1 5 5 LYS HE3 H 1 2.99 . . . . . . . 5 LYS HE3 . 7152 1 40 . 1 1 5 5 LYS HZ1 H 1 7.60 . . . . . . . 5 LYS HZ . 7152 1 41 . 1 1 5 5 LYS HZ2 H 1 7.60 . . . . . . . 5 LYS HZ . 7152 1 42 . 1 1 5 5 LYS HZ3 H 1 7.60 . . . . . . . 5 LYS HZ . 7152 1 43 . 1 1 6 6 PRO HA H 1 4.37 . . . . . . . 6 PRO HA . 7152 1 44 . 1 1 6 6 PRO HB2 H 1 2.17 . . . . . . . 6 PRO HB2 . 7152 1 45 . 1 1 6 6 PRO HB3 H 1 1.66 . . . . . . . 6 PRO HB3 . 7152 1 46 . 1 1 6 6 PRO HG2 H 1 1.98 . . . . . . . 6 PRO HG2 . 7152 1 47 . 1 1 6 6 PRO HD2 H 1 3.83 . . . . . . . 6 PRO HD2 . 7152 1 48 . 1 1 6 6 PRO HD3 H 1 3.63 . . . . . . . 6 PRO HD3 . 7152 1 49 . 1 1 7 7 VAL H H 1 8.51 . . . . . . . 7 VAL H . 7152 1 50 . 1 1 7 7 VAL HA H 1 3.99 . . . . . . . 7 VAL HA . 7152 1 51 . 1 1 7 7 VAL HB H 1 1.97 . . . . . . . 7 VAL HB . 7152 1 52 . 1 1 7 7 VAL HG11 H 1 0.906 . . . . . . . 7 VAL HG1 . 7152 1 53 . 1 1 7 7 VAL HG12 H 1 0.906 . . . . . . . 7 VAL HG1 . 7152 1 54 . 1 1 7 7 VAL HG13 H 1 0.906 . . . . . . . 7 VAL HG1 . 7152 1 55 . 1 1 7 7 VAL HG21 H 1 0.85 . . . . . . . 7 VAL HG2 . 7152 1 56 . 1 1 7 7 VAL HG22 H 1 0.85 . . . . . . . 7 VAL HG2 . 7152 1 57 . 1 1 7 7 VAL HG23 H 1 0.85 . . . . . . . 7 VAL HG2 . 7152 1 58 . 1 1 8 8 TYR H H 1 8.21 . . . . . . . 8 TYR H . 7152 1 59 . 1 1 8 8 TYR HA H 1 4.57 . . . . . . . 8 TYR HA . 7152 1 60 . 1 1 8 8 TYR HB2 H 1 3.00 . . . . . . . 8 TYR HB2 . 7152 1 61 . 1 1 8 8 TYR HB3 H 1 2.95 . . . . . . . 8 TYR HB3 . 7152 1 62 . 1 1 8 8 TYR HD1 H 1 7.15 . . . . . . . 8 TYR HD1 . 7152 1 63 . 1 1 8 8 TYR HD2 H 1 7.15 . . . . . . . 8 TYR HD2 . 7152 1 64 . 1 1 8 8 TYR HE1 H 1 6.76 . . . . . . . 8 TYR HE1 . 7152 1 65 . 1 1 8 8 TYR HE2 H 1 6.76 . . . . . . . 8 TYR HE2 . 7152 1 66 . 1 1 9 9 ASP H H 1 8.32 . . . . . . . 9 ASP H . 7152 1 67 . 1 1 9 9 ASP HA H 1 4.65 . . . . . . . 9 ASP HA . 7152 1 68 . 1 1 9 9 ASP HB2 H 1 2.84 . . . . . . . 9 ASP HB2 . 7152 1 69 . 1 1 9 9 ASP HB3 H 1 2.69 . . . . . . . 9 ASP HB3 . 7152 1 70 . 1 1 10 10 SER H H 1 8.18 . . . . . . . 10 SER H . 7152 1 71 . 1 1 10 10 SER HA H 1 4.35 . . . . . . . 10 SER HA . 7152 1 72 . 1 1 10 10 SER HB2 H 1 3.88 . . . . . . . 10 SER HB2 . 7152 1 73 . 1 1 10 10 SER HB3 H 1 3.83 . . . . . . . 10 SER HB3 . 7152 1 74 . 1 1 11 11 LEU H H 1 8.25 . . . . . . . 11 LEU H . 7152 1 75 . 1 1 11 11 LEU HA H 1 4.33 . . . . . . . 11 LEU HA . 7152 1 76 . 1 1 11 11 LEU HB2 H 1 1.58 . . . . . . . 11 LEU HB2 . 7152 1 77 . 1 1 11 11 LEU HB3 H 1 1.58 . . . . . . . 11 LEU HB3 . 7152 1 78 . 1 1 11 11 LEU HG H 1 1.53 . . . . . . . 11 LEU HG . 7152 1 79 . 1 1 11 11 LEU HD11 H 1 0.90 . . . . . . . 11 LEU HD1 . 7152 1 80 . 1 1 11 11 LEU HD12 H 1 0.90 . . . . . . . 11 LEU HD1 . 7152 1 81 . 1 1 11 11 LEU HD13 H 1 0.90 . . . . . . . 11 LEU HD1 . 7152 1 82 . 1 1 11 11 LEU HD21 H 1 0.85 . . . . . . . 11 LEU HD2 . 7152 1 83 . 1 1 11 11 LEU HD22 H 1 0.85 . . . . . . . 11 LEU HD2 . 7152 1 84 . 1 1 11 11 LEU HD23 H 1 0.85 . . . . . . . 11 LEU HD2 . 7152 1 85 . 1 1 12 12 ASP H H 1 8.05 . . . . . . . 12 ASP H . 7152 1 86 . 1 1 12 12 ASP HA H 1 4.54 . . . . . . . 12 ASP HA . 7152 1 87 . 1 1 12 12 ASP HB2 H 1 2.84 . . . . . . . 12 ASP HB2 . 7152 1 88 . 1 1 12 12 ASP HB3 H 1 2.79 . . . . . . . 12 ASP HB3 . 7152 1 stop_ save_