data_7067 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7067 _Entry.Title ; Human Nogo-A functional domain: nogo60 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-10 _Entry.Accession_date 2006-04-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 M. Li . F. . 7067 2 J. Liu . X. . 7067 3 J. Song . X. . 7067 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7067 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 57 7067 '1H chemical shifts' 302 7067 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 . . 2012-12-07 2006-04-10 update BMRB 'delete outlier: 34 VAL N 12.391' 7067 1 . . 2006-11-17 2006-04-10 original author 'original release' 7067 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2G31 'BMRB Entry Tracking System' 7067 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7067 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16877707 _Citation.Full_citation . _Citation.Title ; Nogo goes in the pure water: solution structure of Nogo-60 and design of the structured and buffer-soluble Nogo-54 for enhancing CNS regeneration ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 8 _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 1835 _Citation.Page_last 1841 _Citation.Year 2006 _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 M. Li . F. . 7067 1 2 J. Liu . X. . 7067 1 3 J. Song . X. . 7067 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HELIX 7067 1 NOGO 7067 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Reticulon-4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Reticulon-4 _Assembly.Entry_ID 7067 _Assembly.ID 1 _Assembly.Name Reticulon-4 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7067 1 stop_ 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 Reticulon-4 1 $Reticulon-4 . . . native . . . . . 7067 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2G31 . . . . . . 7067 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Reticulon-4 abbreviation 7067 1 Reticulon-4 system 7067 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Reticulon-4 _Entity.Sf_category entity _Entity.Sf_framecode Reticulon-4 _Entity.Entry_ID 7067 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Reticulon-4 _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 ; RIYKGVIQAIQKSDEGHPFR AYLESEVAISEELVQKYSNS ALGHVNCTIKELRRLFLVDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15933 . NOGO . . . . . 100.00 79 98.33 98.33 8.08e-34 . . . . 7067 1 2 no BMRB 16257 . Nogo66_at_pH4.0 . . . . . 100.00 79 98.33 98.33 8.08e-34 . . . . 7067 1 3 no PDB 2G31 . "Human Nogo-A Functional Domain: Nogo60" . . . . . 100.00 60 100.00 100.00 4.51e-35 . . . . 7067 1 4 no PDB 2JV5 . Nogo54 . . . . . 90.00 54 100.00 100.00 2.56e-30 . . . . 7067 1 5 no PDB 2KO2 . Nogo66 . . . . . 100.00 79 98.33 98.33 8.08e-34 . . . . 7067 1 6 no DBJ BAA74909 . "KIAA0886 protein [Homo sapiens]" . . . . . 100.00 1233 100.00 100.00 1.60e-30 . . . . 7067 1 7 no DBJ BAA83712 . "ASY [Homo sapiens]" . . . . . 100.00 373 100.00 100.00 1.79e-33 . . . . 7067 1 8 no DBJ BAB16739 . "hypothetical protein [Macaca fascicularis]" . . . . . 100.00 179 98.33 100.00 1.83e-34 . . . . 7067 1 9 no DBJ BAB18927 . "RTN-xL [Homo sapiens]" . . . . . 100.00 1192 100.00 100.00 1.68e-30 . . . . 7067 1 10 no DBJ BAB18928 . "RTN-xS [Homo sapiens]" . . . . . 100.00 373 100.00 100.00 1.79e-33 . . . . 7067 1 11 no EMBL CAB71027 . "Nogo-A protein [Rattus norvegicus]" . . . . . 100.00 1163 98.33 98.33 4.86e-29 . . . . 7067 1 12 no EMBL CAB71028 . "Nogo-B protein [Rattus norvegicus]" . . . . . 100.00 360 98.33 98.33 4.57e-32 . . . . 7067 1 13 no EMBL CAB71029 . "Nogo-C protein [Rattus norvegicus]" . . . . . 100.00 199 98.33 98.33 3.62e-33 . . . . 7067 1 14 no EMBL CAB99248 . "Nogo-A protein [Homo sapiens]" . . . . . 100.00 1192 100.00 100.00 1.63e-30 . . . . 7067 1 15 no EMBL CAB99249 . "Nogo-B protein [Homo sapiens]" . . . . . 100.00 373 100.00 100.00 1.79e-33 . . . . 7067 1 16 no GB AAD27783 . "neuroendocrine-specific protein C homolog [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.29e-34 . . . . 7067 1 17 no GB AAD31019 . "foocen-m2 [Rattus norvegicus]" . . . . . 100.00 379 98.33 98.33 5.61e-32 . . . . 7067 1 18 no GB AAD31020 . "foocen-m1 [Rattus norvegicus]" . . . . . 100.00 358 98.33 98.33 4.46e-32 . . . . 7067 1 19 no GB AAD31021 . "foocen-m [Homo sapiens]" . . . . . 100.00 373 100.00 100.00 1.79e-33 . . . . 7067 1 20 no GB AAD31022 . "foocen-s [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.29e-34 . . . . 7067 1 21 no REF NP_001029083 . "reticulon-4 [Pan troglodytes]" . . . . . 100.00 199 100.00 100.00 1.29e-34 . . . . 7067 1 22 no REF NP_001068606 . "reticulon-4 isoform 1 [Bos taurus]" . . . . . 100.00 199 100.00 100.00 1.29e-34 . . . . 7067 1 23 no REF NP_001106692 . "reticulon-4 isoform 2 [Bos taurus]" . . . . . 100.00 379 100.00 100.00 1.92e-33 . . . . 7067 1 24 no REF NP_001123435 . "reticulon-4 [Sus scrofa]" . . . . . 100.00 199 100.00 100.00 1.14e-34 . . . . 7067 1 25 no REF NP_001126875 . "reticulon-4 [Pongo abelii]" . . . . . 100.00 199 100.00 100.00 1.25e-34 . . . . 7067 1 26 no SP Q99P72 . "RecName: Full=Reticulon-4; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein [Mus musculus]" . . . . . 100.00 1162 98.33 98.33 4.36e-29 . . . . 7067 1 27 no SP Q9JK11 . "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Glut4 vesicle 20 kDa protein; AltName: Full=Neurite outgrowth in" . . . . . 100.00 1163 98.33 98.33 4.86e-29 . . . . 7067 1 28 no SP Q9NQC3 . "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein; AltName: Full=N" . . . . . 100.00 1192 100.00 100.00 1.68e-30 . . . . 7067 1 29 no TPG DAA01940 . "TPA_inf: RTN4-C [Macaca fascicularis]" . . . . . 100.00 199 98.33 100.00 3.57e-34 . . . . 7067 1 30 no TPG DAA01967 . "TPA_inf: RTN4-C [Sus scrofa]" . . . . . 100.00 199 100.00 100.00 1.14e-34 . . . . 7067 1 31 no TPG DAA01973 . "TPA_inf: RTN4-Aw, partial [Sus scrofa]" . . . . . 100.00 187 100.00 100.00 9.30e-35 . . . . 7067 1 32 no TPG DAA02035 . "TPA_inf: RTN4-C [Pan troglodytes]" . . . . . 100.00 199 100.00 100.00 1.29e-34 . . . . 7067 1 33 no TPG DAA05710 . "TPA_exp: RTN4w [Ovis aries]" . . . . . 100.00 198 100.00 100.00 1.57e-34 . . . . 7067 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Reticulon-4 abbreviation 7067 1 Reticulon-4 common 7067 1 stop_ 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 . ARG . 7067 1 2 . ILE . 7067 1 3 . TYR . 7067 1 4 . LYS . 7067 1 5 . GLY . 7067 1 6 . VAL . 7067 1 7 . ILE . 7067 1 8 . GLN . 7067 1 9 . ALA . 7067 1 10 . ILE . 7067 1 11 . GLN . 7067 1 12 . LYS . 7067 1 13 . SER . 7067 1 14 . ASP . 7067 1 15 . GLU . 7067 1 16 . GLY . 7067 1 17 . HIS . 7067 1 18 . PRO . 7067 1 19 . PHE . 7067 1 20 . ARG . 7067 1 21 . ALA . 7067 1 22 . TYR . 7067 1 23 . LEU . 7067 1 24 . GLU . 7067 1 25 . SER . 7067 1 26 . GLU . 7067 1 27 . VAL . 7067 1 28 . ALA . 7067 1 29 . ILE . 7067 1 30 . SER . 7067 1 31 . GLU . 7067 1 32 . GLU . 7067 1 33 . LEU . 7067 1 34 . VAL . 7067 1 35 . GLN . 7067 1 36 . LYS . 7067 1 37 . TYR . 7067 1 38 . SER . 7067 1 39 . ASN . 7067 1 40 . SER . 7067 1 41 . ALA . 7067 1 42 . LEU . 7067 1 43 . GLY . 7067 1 44 . HIS . 7067 1 45 . VAL . 7067 1 46 . ASN . 7067 1 47 . CYS . 7067 1 48 . THR . 7067 1 49 . ILE . 7067 1 50 . LYS . 7067 1 51 . GLU . 7067 1 52 . LEU . 7067 1 53 . ARG . 7067 1 54 . ARG . 7067 1 55 . LEU . 7067 1 56 . PHE . 7067 1 57 . LEU . 7067 1 58 . VAL . 7067 1 59 . ASP . 7067 1 60 . ASP . 7067 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 . ARG 1 1 7067 1 . ILE 2 2 7067 1 . TYR 3 3 7067 1 . LYS 4 4 7067 1 . GLY 5 5 7067 1 . VAL 6 6 7067 1 . ILE 7 7 7067 1 . GLN 8 8 7067 1 . ALA 9 9 7067 1 . ILE 10 10 7067 1 . GLN 11 11 7067 1 . LYS 12 12 7067 1 . SER 13 13 7067 1 . ASP 14 14 7067 1 . GLU 15 15 7067 1 . GLY 16 16 7067 1 . HIS 17 17 7067 1 . PRO 18 18 7067 1 . PHE 19 19 7067 1 . ARG 20 20 7067 1 . ALA 21 21 7067 1 . TYR 22 22 7067 1 . LEU 23 23 7067 1 . GLU 24 24 7067 1 . SER 25 25 7067 1 . GLU 26 26 7067 1 . VAL 27 27 7067 1 . ALA 28 28 7067 1 . ILE 29 29 7067 1 . SER 30 30 7067 1 . GLU 31 31 7067 1 . GLU 32 32 7067 1 . LEU 33 33 7067 1 . VAL 34 34 7067 1 . GLN 35 35 7067 1 . LYS 36 36 7067 1 . TYR 37 37 7067 1 . SER 38 38 7067 1 . ASN 39 39 7067 1 . SER 40 40 7067 1 . ALA 41 41 7067 1 . LEU 42 42 7067 1 . GLY 43 43 7067 1 . HIS 44 44 7067 1 . VAL 45 45 7067 1 . ASN 46 46 7067 1 . CYS 47 47 7067 1 . THR 48 48 7067 1 . ILE 49 49 7067 1 . LYS 50 50 7067 1 . GLU 51 51 7067 1 . LEU 52 52 7067 1 . ARG 53 53 7067 1 . ARG 54 54 7067 1 . LEU 55 55 7067 1 . PHE 56 56 7067 1 . LEU 57 57 7067 1 . VAL 58 58 7067 1 . ASP 59 59 7067 1 . ASP 60 60 7067 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 7067 _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 $Reticulon-4 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7067 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 7067 _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 $Reticulon-4 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7067 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7067 _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 Reticulon-4 . . . 1 $Reticulon-4 . . . . . . . . . . 7067 1 2 H2O . . . . . . . 90 . . % . . . . 7067 1 3 D2O . . . . . . . 10 . . % . . . . 7067 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7067 _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 4.0 . pH 7067 1 pressure 1 . atm 7067 1 temperature 278 . K 7067 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 7067 _Software.ID 1 _Software.Name DYANA _Software.Version 'CYANA 1.0.6' _Software.Details 'Peter Guntert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7067 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7067 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7067 _NMR_spectrometer_list.ID 1 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 NMR_spectrometer Bruker INOVA . 800 . . . 7067 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 7067 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7067 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7067 1 3 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7067 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7067 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7067 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7067 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7067 _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 . . . . . . ppm . . . . . . . . . . . . . 7067 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 7067 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7067 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 7067 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 1 1 ARG HA H 1 4.275 . . 1 . . . . . . . . 7067 1 2 . 1 1 1 1 ARG HB2 H 1 1.515 . . 2 . . . . . . . . 7067 1 3 . 1 1 1 1 ARG HB3 H 1 1.690 . . 2 . . . . . . . . 7067 1 4 . 1 1 1 1 ARG HG2 H 1 1.439 . . 2 . . . . . . . . 7067 1 5 . 1 1 1 1 ARG HD2 H 1 3.076 . . 2 . . . . . . . . 7067 1 6 . 1 1 1 1 ARG H H 1 8.511 . . 1 . . . . . . . . 7067 1 7 . 1 1 2 2 ILE H H 1 8.222 . . 1 . . . . . . . . 7067 1 8 . 1 1 2 2 ILE HA H 1 4.111 . . 1 . . . . . . . . 7067 1 9 . 1 1 2 2 ILE HB H 1 1.689 . . 1 . . . . . . . . 7067 1 10 . 1 1 2 2 ILE HG12 H 1 1.354 . . 1 . . . . . . . . 7067 1 11 . 1 1 2 2 ILE HG13 H 1 1.037 . . 1 . . . . . . . . 7067 1 12 . 1 1 2 2 ILE HD11 H 1 0.751 . . 1 . . . . . . . . 7067 1 13 . 1 1 2 2 ILE HD12 H 1 0.751 . . 1 . . . . . . . . 7067 1 14 . 1 1 2 2 ILE HD13 H 1 0.751 . . 1 . . . . . . . . 7067 1 15 . 1 1 2 2 ILE N N 15 122.227 . . 1 . . . . . . . . 7067 1 16 . 1 1 3 3 TYR H H 1 8.547 . . 1 . . . . . . . . 7067 1 17 . 1 1 3 3 TYR HA H 1 4.518 . . 1 . . . . . . . . 7067 1 18 . 1 1 3 3 TYR HB2 H 1 2.870 . . 2 . . . . . . . . 7067 1 19 . 1 1 3 3 TYR HD1 H 1 7.024 . . 3 . . . . . . . . 7067 1 20 . 1 1 3 3 TYR N N 15 126.367 . . 1 . . . . . . . . 7067 1 21 . 1 1 4 4 LYS H H 1 8.472 . . 1 . . . . . . . . 7067 1 22 . 1 1 4 4 LYS HA H 1 4.078 . . 1 . . . . . . . . 7067 1 23 . 1 1 4 4 LYS HB2 H 1 1.576 . . 2 . . . . . . . . 7067 1 24 . 1 1 4 4 LYS HB3 H 1 1.723 . . 2 . . . . . . . . 7067 1 25 . 1 1 4 4 LYS HG2 H 1 1.202 . . 2 . . . . . . . . 7067 1 26 . 1 1 4 4 LYS N N 15 125.031 . . 1 . . . . . . . . 7067 1 27 . 1 1 5 5 GLY H H 1 7.846 . . 1 . . . . . . . . 7067 1 28 . 1 1 5 5 GLY HA2 H 1 3.757 . . 2 . . . . . . . . 7067 1 29 . 1 1 5 5 GLY N N 15 126.648 . . 1 . . . . . . . . 7067 1 30 . 1 1 6 6 VAL H H 1 8.055 . . 1 . . . . . . . . 7067 1 31 . 1 1 6 6 VAL HA H 1 4.074 . . 1 . . . . . . . . 7067 1 32 . 1 1 6 6 VAL HB H 1 1.978 . . 1 . . . . . . . . 7067 1 33 . 1 1 6 6 VAL HG21 H 1 0.866 . . 2 . . . . . . . . 7067 1 34 . 1 1 6 6 VAL HG22 H 1 0.866 . . 2 . . . . . . . . 7067 1 35 . 1 1 6 6 VAL HG23 H 1 0.866 . . 2 . . . . . . . . 7067 1 36 . 1 1 6 6 VAL N N 15 119.758 . . 1 . . . . . . . . 7067 1 37 . 1 1 7 7 ILE H H 1 8.459 . . 1 . . . . . . . . 7067 1 38 . 1 1 7 7 ILE HA H 1 4.074 . . 1 . . . . . . . . 7067 1 39 . 1 1 7 7 ILE HB H 1 1.750 . . 1 . . . . . . . . 7067 1 40 . 1 1 7 7 ILE HG12 H 1 1.081 . . 1 . . . . . . . . 7067 1 41 . 1 1 7 7 ILE HG13 H 1 1.419 . . 1 . . . . . . . . 7067 1 42 . 1 1 7 7 ILE HG21 H 1 0.810 . . 1 . . . . . . . . 7067 1 43 . 1 1 7 7 ILE HG22 H 1 0.810 . . 1 . . . . . . . . 7067 1 44 . 1 1 7 7 ILE HG23 H 1 0.810 . . 1 . . . . . . . . 7067 1 45 . 1 1 7 7 ILE HD11 H 1 0.777 . . 1 . . . . . . . . 7067 1 46 . 1 1 7 7 ILE HD12 H 1 0.777 . . 1 . . . . . . . . 7067 1 47 . 1 1 7 7 ILE HD13 H 1 0.777 . . 1 . . . . . . . . 7067 1 48 . 1 1 7 7 ILE N N 15 126.297 . . 1 . . . . . . . . 7067 1 49 . 1 1 8 8 GLN H H 1 8.591 . . 1 . . . . . . . . 7067 1 50 . 1 1 8 8 GLN HA H 1 4.258 . . 1 . . . . . . . . 7067 1 51 . 1 1 8 8 GLN HB2 H 1 1.866 . . 2 . . . . . . . . 7067 1 52 . 1 1 8 8 GLN HB3 H 1 1.985 . . 2 . . . . . . . . 7067 1 53 . 1 1 8 8 GLN HG2 H 1 2.288 . . 2 . . . . . . . . 7067 1 54 . 1 1 8 8 GLN N N 15 125.875 . . 1 . . . . . . . . 7067 1 55 . 1 1 9 9 ALA H H 1 8.466 . . 1 . . . . . . . . 7067 1 56 . 1 1 9 9 ALA HA H 1 4.145 . . 1 . . . . . . . . 7067 1 57 . 1 1 9 9 ALA HB1 H 1 1.296 . . 1 . . . . . . . . 7067 1 58 . 1 1 9 9 ALA HB2 H 1 1.296 . . 1 . . . . . . . . 7067 1 59 . 1 1 9 9 ALA HB3 H 1 1.296 . . 1 . . . . . . . . 7067 1 60 . 1 1 9 9 ALA N N 15 126.227 . . 1 . . . . . . . . 7067 1 61 . 1 1 10 10 ILE H H 1 8.274 . . 1 . . . . . . . . 7067 1 62 . 1 1 10 10 ILE HA H 1 4.035 . . 1 . . . . . . . . 7067 1 63 . 1 1 10 10 ILE HB H 1 1.735 . . 1 . . . . . . . . 7067 1 64 . 1 1 10 10 ILE HG12 H 1 1.302 . . 1 . . . . . . . . 7067 1 65 . 1 1 10 10 ILE HG13 H 1 1.416 . . 1 . . . . . . . . 7067 1 66 . 1 1 10 10 ILE HG21 H 1 1.102 . . 1 . . . . . . . . 7067 1 67 . 1 1 10 10 ILE HG22 H 1 1.102 . . 1 . . . . . . . . 7067 1 68 . 1 1 10 10 ILE HG23 H 1 1.102 . . 1 . . . . . . . . 7067 1 69 . 1 1 10 10 ILE HD11 H 1 0.798 . . 1 . . . . . . . . 7067 1 70 . 1 1 10 10 ILE HD12 H 1 0.798 . . 1 . . . . . . . . 7067 1 71 . 1 1 10 10 ILE HD13 H 1 0.798 . . 1 . . . . . . . . 7067 1 72 . 1 1 10 10 ILE N N 15 121.023 . . 1 . . . . . . . . 7067 1 73 . 1 1 11 11 GLN H H 1 8.567 . . 1 . . . . . . . . 7067 1 74 . 1 1 11 11 GLN HA H 1 4.246 . . 1 . . . . . . . . 7067 1 75 . 1 1 11 11 GLN HB2 H 1 2.006 . . 2 . . . . . . . . 7067 1 76 . 1 1 11 11 GLN HG2 H 1 2.293 . . 2 . . . . . . . . 7067 1 77 . 1 1 11 11 GLN N N 15 125.242 . . 1 . . . . . . . . 7067 1 78 . 1 1 12 12 LYS H H 1 8.559 . . 1 . . . . . . . . 7067 1 79 . 1 1 12 12 LYS HA H 1 4.260 . . 1 . . . . . . . . 7067 1 80 . 1 1 12 12 LYS HB2 H 1 1.785 . . 2 . . . . . . . . 7067 1 81 . 1 1 12 12 LYS HB3 H 1 1.886 . . 2 . . . . . . . . 7067 1 82 . 1 1 12 12 LYS HG2 H 1 1.383 . . 2 . . . . . . . . 7067 1 83 . 1 1 12 12 LYS HD2 H 1 1.702 . . 2 . . . . . . . . 7067 1 84 . 1 1 12 12 LYS N N 15 123.766 . . 1 . . . . . . . . 7067 1 85 . 1 1 13 13 SER H H 1 8.485 . . 1 . . . . . . . . 7067 1 86 . 1 1 13 13 SER HA H 1 4.357 . . 1 . . . . . . . . 7067 1 87 . 1 1 13 13 SER HB2 H 1 3.813 . . 2 . . . . . . . . 7067 1 88 . 1 1 13 13 SER N N 15 116.945 . . 1 . . . . . . . . 7067 1 89 . 1 1 14 14 ASP H H 1 8.453 . . 1 . . . . . . . . 7067 1 90 . 1 1 14 14 ASP HA H 1 4.598 . . 1 . . . . . . . . 7067 1 91 . 1 1 14 14 ASP HB2 H 1 2.699 . . 2 . . . . . . . . 7067 1 92 . 1 1 14 14 ASP N N 15 121.867 . . 1 . . . . . . . . 7067 1 93 . 1 1 15 15 GLU H H 1 8.365 . . 1 . . . . . . . . 7067 1 94 . 1 1 15 15 GLU HA H 1 4.142 . . 1 . . . . . . . . 7067 1 95 . 1 1 15 15 GLU HB2 H 1 1.905 . . 2 . . . . . . . . 7067 1 96 . 1 1 15 15 GLU HB3 H 1 2.021 . . 2 . . . . . . . . 7067 1 97 . 1 1 15 15 GLU HG2 H 1 2.307 . . 2 . . . . . . . . 7067 1 98 . 1 1 15 15 GLU N N 15 120.813 . . 1 . . . . . . . . 7067 1 99 . 1 1 16 16 GLY H H 1 8.490 . . 1 . . . . . . . . 7067 1 100 . 1 1 16 16 GLY HA2 H 1 3.793 . . 2 . . . . . . . . 7067 1 101 . 1 1 16 16 GLY N N 15 126.508 . . 1 . . . . . . . . 7067 1 102 . 1 1 17 17 HIS H H 1 8.163 . . 1 . . . . . . . . 7067 1 103 . 1 1 17 17 HIS HA H 1 4.925 . . 1 . . . . . . . . 7067 1 104 . 1 1 17 17 HIS HB2 H 1 3.040 . . 2 . . . . . . . . 7067 1 105 . 1 1 17 17 HIS HB3 H 1 3.124 . . 2 . . . . . . . . 7067 1 106 . 1 1 17 17 HIS HD2 H 1 7.207 . . 3 . . . . . . . . 7067 1 107 . 1 1 17 17 HIS N N 15 117.719 . . 1 . . . . . . . . 7067 1 108 . 1 1 19 19 PHE H H 1 8.570 . . 1 . . . . . . . . 7067 1 109 . 1 1 19 19 PHE HA H 1 4.490 . . 1 . . . . . . . . 7067 1 110 . 1 1 19 19 PHE HB2 H 1 2.980 . . 2 . . . . . . . . 7067 1 111 . 1 1 19 19 PHE HB3 H 1 3.062 . . 2 . . . . . . . . 7067 1 112 . 1 1 19 19 PHE HD1 H 1 7.159 . . 3 . . . . . . . . 7067 1 113 . 1 1 19 19 PHE N N 15 121.164 . . 1 . . . . . . . . 7067 1 114 . 1 1 20 20 ARG H H 1 8.097 . . 1 . . . . . . . . 7067 1 115 . 1 1 20 20 ARG HA H 1 4.124 . . 1 . . . . . . . . 7067 1 116 . 1 1 20 20 ARG HB2 H 1 1.422 . . 2 . . . . . . . . 7067 1 117 . 1 1 20 20 ARG HB3 H 1 1.576 . . 2 . . . . . . . . 7067 1 118 . 1 1 20 20 ARG N N 15 123.836 . . 1 . . . . . . . . 7067 1 119 . 1 1 21 21 ALA H H 1 8.245 . . 1 . . . . . . . . 7067 1 120 . 1 1 21 21 ALA HA H 1 4.115 . . 1 . . . . . . . . 7067 1 121 . 1 1 21 21 ALA HB1 H 1 1.268 . . 1 . . . . . . . . 7067 1 122 . 1 1 21 21 ALA HB2 H 1 1.268 . . 1 . . . . . . . . 7067 1 123 . 1 1 21 21 ALA HB3 H 1 1.268 . . 1 . . . . . . . . 7067 1 124 . 1 1 21 21 ALA N N 15 125.031 . . 1 . . . . . . . . 7067 1 125 . 1 1 22 22 TYR H H 1 8.114 . . 1 . . . . . . . . 7067 1 126 . 1 1 22 22 TYR HA H 1 4.565 . . 1 . . . . . . . . 7067 1 127 . 1 1 22 22 TYR HB2 H 1 2.916 . . 2 . . . . . . . . 7067 1 128 . 1 1 22 22 TYR HD1 H 1 7.002 . . 3 . . . . . . . . 7067 1 129 . 1 1 22 22 TYR N N 15 119.256 . . 1 . . . . . . . . 7067 1 130 . 1 1 23 23 LEU H H 1 8.147 . . 1 . . . . . . . . 7067 1 131 . 1 1 23 23 LEU HA H 1 4.188 . . 1 . . . . . . . . 7067 1 132 . 1 1 23 23 LEU HB2 H 1 1.418 . . 2 . . . . . . . . 7067 1 133 . 1 1 23 23 LEU HB3 H 1 1.486 . . 2 . . . . . . . . 7067 1 134 . 1 1 23 23 LEU HD11 H 1 0.802 . . 2 . . . . . . . . 7067 1 135 . 1 1 23 23 LEU HD12 H 1 0.802 . . 2 . . . . . . . . 7067 1 136 . 1 1 23 23 LEU HD13 H 1 0.802 . . 2 . . . . . . . . 7067 1 137 . 1 1 23 23 LEU N N 15 123.452 . . 1 . . . . . . . . 7067 1 138 . 1 1 24 24 GLU H H 1 8.358 . . 1 . . . . . . . . 7067 1 139 . 1 1 24 24 GLU HA H 1 4.093 . . 1 . . . . . . . . 7067 1 140 . 1 1 24 24 GLU HB2 H 1 1.934 . . 2 . . . . . . . . 7067 1 141 . 1 1 24 24 GLU HG2 H 1 2.342 . . 2 . . . . . . . . 7067 1 142 . 1 1 24 24 GLU N N 15 121.305 . . 1 . . . . . . . . 7067 1 143 . 1 1 25 25 SER H H 1 8.272 . . 1 . . . . . . . . 7067 1 144 . 1 1 25 25 SER HA H 1 4.312 . . 1 . . . . . . . . 7067 1 145 . 1 1 25 25 SER HB2 H 1 3.841 . . 2 . . . . . . . . 7067 1 146 . 1 1 25 25 SER HB3 H 1 3.893 . . 2 . . . . . . . . 7067 1 147 . 1 1 25 25 SER N N 15 116.031 . . 1 . . . . . . . . 7067 1 148 . 1 1 26 26 GLU H H 1 8.336 . . 1 . . . . . . . . 7067 1 149 . 1 1 26 26 GLU HA H 1 4.223 . . 1 . . . . . . . . 7067 1 150 . 1 1 26 26 GLU HB2 H 1 1.936 . . 2 . . . . . . . . 7067 1 151 . 1 1 26 26 GLU HB3 H 1 2.020 . . 2 . . . . . . . . 7067 1 152 . 1 1 26 26 GLU HG2 H 1 2.325 . . 2 . . . . . . . . 7067 1 153 . 1 1 26 26 GLU N N 15 121.938 . . 1 . . . . . . . . 7067 1 154 . 1 1 27 27 VAL H H 1 8.055 . . 1 . . . . . . . . 7067 1 155 . 1 1 27 27 VAL HA H 1 3.919 . . 1 . . . . . . . . 7067 1 156 . 1 1 27 27 VAL HB H 1 1.953 . . 1 . . . . . . . . 7067 1 157 . 1 1 27 27 VAL HG21 H 1 0.878 . . 2 . . . . . . . . 7067 1 158 . 1 1 27 27 VAL HG22 H 1 0.878 . . 2 . . . . . . . . 7067 1 159 . 1 1 27 27 VAL HG23 H 1 0.878 . . 2 . . . . . . . . 7067 1 160 . 1 1 27 27 VAL N N 15 120.742 . . 1 . . . . . . . . 7067 1 161 . 1 1 28 28 ALA H H 1 8.336 . . 1 . . . . . . . . 7067 1 162 . 1 1 28 28 ALA HA H 1 4.230 . . 1 . . . . . . . . 7067 1 163 . 1 1 28 28 ALA HB1 H 1 1.340 . . 1 . . . . . . . . 7067 1 164 . 1 1 28 28 ALA HB2 H 1 1.340 . . 1 . . . . . . . . 7067 1 165 . 1 1 28 28 ALA HB3 H 1 1.340 . . 1 . . . . . . . . 7067 1 166 . 1 1 28 28 ALA N N 15 125.453 . . 1 . . . . . . . . 7067 1 167 . 1 1 29 29 ILE H H 1 8.152 . . 1 . . . . . . . . 7067 1 168 . 1 1 29 29 ILE HA H 1 3.975 . . 1 . . . . . . . . 7067 1 169 . 1 1 29 29 ILE HB H 1 2.001 . . 1 . . . . . . . . 7067 1 170 . 1 1 29 29 ILE HG12 H 1 1.341 . . 1 . . . . . . . . 7067 1 171 . 1 1 29 29 ILE HG13 H 1 1.461 . . 1 . . . . . . . . 7067 1 172 . 1 1 29 29 ILE HG21 H 1 0.881 . . 1 . . . . . . . . 7067 1 173 . 1 1 29 29 ILE HG22 H 1 0.881 . . 1 . . . . . . . . 7067 1 174 . 1 1 29 29 ILE HG23 H 1 0.881 . . 1 . . . . . . . . 7067 1 175 . 1 1 29 29 ILE HD11 H 1 1.104 . . 1 . . . . . . . . 7067 1 176 . 1 1 29 29 ILE HD12 H 1 1.104 . . 1 . . . . . . . . 7067 1 177 . 1 1 29 29 ILE HD13 H 1 1.104 . . 1 . . . . . . . . 7067 1 178 . 1 1 29 29 ILE N N 15 120.039 . . 1 . . . . . . . . 7067 1 179 . 1 1 30 30 SER H H 1 8.253 . . 1 . . . . . . . . 7067 1 180 . 1 1 30 30 SER HA H 1 4.284 . . 1 . . . . . . . . 7067 1 181 . 1 1 30 30 SER HB2 H 1 3.816 . . 2 . . . . . . . . 7067 1 182 . 1 1 30 30 SER HB3 H 1 3.954 . . 2 . . . . . . . . 7067 1 183 . 1 1 30 30 SER N N 15 118.492 . . 1 . . . . . . . . 7067 1 184 . 1 1 31 31 GLU H H 1 8.427 . . 1 . . . . . . . . 7067 1 185 . 1 1 31 31 GLU HA H 1 4.297 . . 1 . . . . . . . . 7067 1 186 . 1 1 31 31 GLU HB2 H 1 2.007 . . 2 . . . . . . . . 7067 1 187 . 1 1 31 31 GLU HG2 H 1 2.380 . . 2 . . . . . . . . 7067 1 188 . 1 1 31 31 GLU N N 15 122.148 . . 1 . . . . . . . . 7067 1 189 . 1 1 32 32 GLU H H 1 8.244 . . 1 . . . . . . . . 7067 1 190 . 1 1 32 32 GLU HA H 1 4.177 . . 1 . . . . . . . . 7067 1 191 . 1 1 32 32 GLU HB2 H 1 2.013 . . 2 . . . . . . . . 7067 1 192 . 1 1 32 32 GLU HG2 H 1 2.360 . . 2 . . . . . . . . 7067 1 193 . 1 1 32 32 GLU N N 15 120.039 . . 1 . . . . . . . . 7067 1 194 . 1 1 33 33 LEU H H 1 8.075 . . 1 . . . . . . . . 7067 1 195 . 1 1 33 33 LEU HA H 1 4.147 . . 1 . . . . . . . . 7067 1 196 . 1 1 33 33 LEU HB2 H 1 1.494 . . 2 . . . . . . . . 7067 1 197 . 1 1 33 33 LEU HB3 H 1 1.599 . . 2 . . . . . . . . 7067 1 198 . 1 1 33 33 LEU HD21 H 1 0.847 . . 2 . . . . . . . . 7067 1 199 . 1 1 33 33 LEU HD22 H 1 0.847 . . 2 . . . . . . . . 7067 1 200 . 1 1 33 33 LEU HD23 H 1 0.847 . . 2 . . . . . . . . 7067 1 201 . 1 1 33 33 LEU N N 15 121.867 . . 1 . . . . . . . . 7067 1 202 . 1 1 34 34 VAL H H 1 7.977 . . 1 . . . . . . . . 7067 1 203 . 1 1 34 34 VAL HA H 1 3.853 . . 1 . . . . . . . . 7067 1 204 . 1 1 34 34 VAL HB H 1 2.018 . . 1 . . . . . . . . 7067 1 205 . 1 1 34 34 VAL HG21 H 1 0.891 . . 2 . . . . . . . . 7067 1 206 . 1 1 34 34 VAL HG22 H 1 0.891 . . 2 . . . . . . . . 7067 1 207 . 1 1 34 34 VAL HG23 H 1 0.891 . . 2 . . . . . . . . 7067 1 208 . 1 1 35 35 GLN H H 1 8.300 . . 1 . . . . . . . . 7067 1 209 . 1 1 35 35 GLN HA H 1 4.136 . . 1 . . . . . . . . 7067 1 210 . 1 1 35 35 GLN HB2 H 1 1.943 . . 2 . . . . . . . . 7067 1 211 . 1 1 35 35 GLN HB3 H 1 2.005 . . 2 . . . . . . . . 7067 1 212 . 1 1 35 35 GLN HG2 H 1 2.290 . . 2 . . . . . . . . 7067 1 213 . 1 1 35 35 GLN N N 15 122.570 . . 1 . . . . . . . . 7067 1 214 . 1 1 36 36 LYS H H 1 8.210 . . 1 . . . . . . . . 7067 1 215 . 1 1 36 36 LYS HA H 1 4.123 . . 1 . . . . . . . . 7067 1 216 . 1 1 36 36 LYS HB2 H 1 1.521 . . 2 . . . . . . . . 7067 1 217 . 1 1 36 36 LYS HB3 H 1 1.620 . . 2 . . . . . . . . 7067 1 218 . 1 1 36 36 LYS HG2 H 1 1.095 . . 2 . . . . . . . . 7067 1 219 . 1 1 36 36 LYS HG3 H 1 1.233 . . 2 . . . . . . . . 7067 1 220 . 1 1 36 36 LYS N N 15 121.727 . . 1 . . . . . . . . 7067 1 221 . 1 1 37 37 TYR H H 1 8.200 . . 1 . . . . . . . . 7067 1 222 . 1 1 37 37 TYR HA H 1 4.532 . . 1 . . . . . . . . 7067 1 223 . 1 1 37 37 TYR HB2 H 1 2.861 . . 2 . . . . . . . . 7067 1 224 . 1 1 37 37 TYR HB3 H 1 3.041 . . 2 . . . . . . . . 7067 1 225 . 1 1 37 37 TYR HD1 H 1 7.040 . . 3 . . . . . . . . 7067 1 226 . 1 1 37 37 TYR N N 15 119.547 . . 1 . . . . . . . . 7067 1 227 . 1 1 38 38 SER H H 1 8.203 . . 1 . . . . . . . . 7067 1 228 . 1 1 38 38 SER HA H 1 4.320 . . 1 . . . . . . . . 7067 1 229 . 1 1 38 38 SER HB2 H 1 3.798 . . 2 . . . . . . . . 7067 1 230 . 1 1 38 38 SER N N 15 116.805 . . 1 . . . . . . . . 7067 1 231 . 1 1 39 39 ASN H H 1 8.400 . . 1 . . . . . . . . 7067 1 232 . 1 1 39 39 ASN HA H 1 4.628 . . 1 . . . . . . . . 7067 1 233 . 1 1 39 39 ASN HB2 H 1 2.780 . . 2 . . . . . . . . 7067 1 234 . 1 1 39 39 ASN N N 15 120.461 . . 1 . . . . . . . . 7067 1 235 . 1 1 40 40 SER H H 1 8.312 . . 1 . . . . . . . . 7067 1 236 . 1 1 40 40 SER HA H 1 4.326 . . 1 . . . . . . . . 7067 1 237 . 1 1 40 40 SER HB2 H 1 3.895 . . 2 . . . . . . . . 7067 1 238 . 1 1 40 40 SER N N 15 116.453 . . 1 . . . . . . . . 7067 1 239 . 1 1 41 41 ALA H H 1 8.232 . . 1 . . . . . . . . 7067 1 240 . 1 1 41 41 ALA HA H 1 3.850 . . 1 . . . . . . . . 7067 1 241 . 1 1 41 41 ALA HB1 H 1 1.340 . . 1 . . . . . . . . 7067 1 242 . 1 1 41 41 ALA HB2 H 1 1.340 . . 1 . . . . . . . . 7067 1 243 . 1 1 41 41 ALA HB3 H 1 1.340 . . 1 . . . . . . . . 7067 1 244 . 1 1 41 41 ALA N N 15 126.508 . . 1 . . . . . . . . 7067 1 245 . 1 1 42 42 LEU H H 1 8.058 . . 1 . . . . . . . . 7067 1 246 . 1 1 42 42 LEU HA H 1 4.219 . . 1 . . . . . . . . 7067 1 247 . 1 1 42 42 LEU HB2 H 1 1.467 . . 2 . . . . . . . . 7067 1 248 . 1 1 42 42 LEU HB3 H 1 1.565 . . 2 . . . . . . . . 7067 1 249 . 1 1 42 42 LEU HG H 1 1.345 . . 1 . . . . . . . . 7067 1 250 . 1 1 42 42 LEU HD11 H 1 0.984 . . 2 . . . . . . . . 7067 1 251 . 1 1 42 42 LEU HD12 H 1 0.984 . . 2 . . . . . . . . 7067 1 252 . 1 1 42 42 LEU HD13 H 1 0.984 . . 2 . . . . . . . . 7067 1 253 . 1 1 42 42 LEU N N 15 119.688 . . 1 . . . . . . . . 7067 1 254 . 1 1 43 43 GLY H H 1 8.257 . . 1 . . . . . . . . 7067 1 255 . 1 1 43 43 GLY HA2 H 1 3.802 . . 2 . . . . . . . . 7067 1 256 . 1 1 43 43 GLY N N 15 126.438 . . 1 . . . . . . . . 7067 1 257 . 1 1 44 44 HIS H H 1 8.299 . . 1 . . . . . . . . 7067 1 258 . 1 1 44 44 HIS HA H 1 4.658 . . 1 . . . . . . . . 7067 1 259 . 1 1 44 44 HIS HB2 H 1 3.100 . . 2 . . . . . . . . 7067 1 260 . 1 1 44 44 HIS HB3 H 1 3.197 . . 2 . . . . . . . . 7067 1 261 . 1 1 44 44 HIS N N 15 117.859 . . 1 . . . . . . . . 7067 1 262 . 1 1 45 45 VAL H H 1 8.228 . . 1 . . . . . . . . 7067 1 263 . 1 1 45 45 VAL HA H 1 4.046 . . 1 . . . . . . . . 7067 1 264 . 1 1 45 45 VAL HB H 1 1.965 . . 1 . . . . . . . . 7067 1 265 . 1 1 45 45 VAL HG21 H 1 0.854 . . 2 . . . . . . . . 7067 1 266 . 1 1 45 45 VAL HG22 H 1 0.854 . . 2 . . . . . . . . 7067 1 267 . 1 1 45 45 VAL HG23 H 1 0.854 . . 2 . . . . . . . . 7067 1 268 . 1 1 45 45 VAL N N 15 121.445 . . 1 . . . . . . . . 7067 1 269 . 1 1 46 46 ASN H H 1 8.718 . . 1 . . . . . . . . 7067 1 270 . 1 1 46 46 ASN HA H 1 4.672 . . 1 . . . . . . . . 7067 1 271 . 1 1 46 46 ASN HB2 H 1 2.705 . . 2 . . . . . . . . 7067 1 272 . 1 1 46 46 ASN HB3 H 1 2.788 . . 2 . . . . . . . . 7067 1 273 . 1 1 46 46 ASN N N 15 122.570 . . 1 . . . . . . . . 7067 1 274 . 1 1 47 47 CYS H H 1 8.424 . . 1 . . . . . . . . 7067 1 275 . 1 1 47 47 CYS HA H 1 4.541 . . 1 . . . . . . . . 7067 1 276 . 1 1 47 47 CYS HB2 H 1 2.733 . . 2 . . . . . . . . 7067 1 277 . 1 1 47 47 CYS HB3 H 1 2.826 . . 2 . . . . . . . . 7067 1 278 . 1 1 47 47 CYS N N 15 120.180 . . 1 . . . . . . . . 7067 1 279 . 1 1 48 48 THR H H 1 8.386 . . 1 . . . . . . . . 7067 1 280 . 1 1 48 48 THR HA H 1 4.289 . . 1 . . . . . . . . 7067 1 281 . 1 1 48 48 THR HG21 H 1 1.163 . . 1 . . . . . . . . 7067 1 282 . 1 1 48 48 THR HG22 H 1 1.163 . . 1 . . . . . . . . 7067 1 283 . 1 1 48 48 THR HG23 H 1 1.163 . . 1 . . . . . . . . 7067 1 284 . 1 1 48 48 THR N N 15 116.453 . . 1 . . . . . . . . 7067 1 285 . 1 1 49 49 ILE H H 1 8.334 . . 1 . . . . . . . . 7067 1 286 . 1 1 49 49 ILE HA H 1 3.989 . . 1 . . . . . . . . 7067 1 287 . 1 1 49 49 ILE HB H 1 1.783 . . 1 . . . . . . . . 7067 1 288 . 1 1 49 49 ILE HG12 H 1 1.164 . . 1 . . . . . . . . 7067 1 289 . 1 1 49 49 ILE HD11 H 1 0.835 . . 1 . . . . . . . . 7067 1 290 . 1 1 49 49 ILE HD12 H 1 0.835 . . 1 . . . . . . . . 7067 1 291 . 1 1 49 49 ILE HD13 H 1 0.835 . . 1 . . . . . . . . 7067 1 292 . 1 1 49 49 ILE N N 15 122.852 . . 1 . . . . . . . . 7067 1 293 . 1 1 50 50 LYS H H 1 8.304 . . 1 . . . . . . . . 7067 1 294 . 1 1 50 50 LYS HA H 1 4.071 . . 1 . . . . . . . . 7067 1 295 . 1 1 50 50 LYS HB2 H 1 1.411 . . 2 . . . . . . . . 7067 1 296 . 1 1 50 50 LYS HB3 H 1 1.696 . . 2 . . . . . . . . 7067 1 297 . 1 1 50 50 LYS HG2 H 1 1.167 . . 2 . . . . . . . . 7067 1 298 . 1 1 50 50 LYS HG3 H 1 1.287 . . 2 . . . . . . . . 7067 1 299 . 1 1 50 50 LYS N N 15 123.766 . . 1 . . . . . . . . 7067 1 300 . 1 1 51 51 GLU H H 1 8.146 . . 1 . . . . . . . . 7067 1 301 . 1 1 51 51 GLU HA H 1 4.196 . . 1 . . . . . . . . 7067 1 302 . 1 1 51 51 GLU HB2 H 1 1.979 . . 2 . . . . . . . . 7067 1 303 . 1 1 51 51 GLU HB3 H 1 2.275 . . 2 . . . . . . . . 7067 1 304 . 1 1 51 51 GLU N N 15 121.023 . . 1 . . . . . . . . 7067 1 305 . 1 1 52 52 LEU H H 1 8.326 . . 1 . . . . . . . . 7067 1 306 . 1 1 52 52 LEU HA H 1 4.166 . . 1 . . . . . . . . 7067 1 307 . 1 1 52 52 LEU HB2 H 1 1.466 . . 2 . . . . . . . . 7067 1 308 . 1 1 52 52 LEU HB3 H 1 1.596 . . 2 . . . . . . . . 7067 1 309 . 1 1 52 52 LEU N N 15 122.781 . . 1 . . . . . . . . 7067 1 310 . 1 1 53 53 ARG H H 1 8.302 . . 1 . . . . . . . . 7067 1 311 . 1 1 53 53 ARG HA H 1 4.134 . . 1 . . . . . . . . 7067 1 312 . 1 1 53 53 ARG HB2 H 1 1.636 . . 2 . . . . . . . . 7067 1 313 . 1 1 53 53 ARG HB3 H 1 1.735 . . 2 . . . . . . . . 7067 1 314 . 1 1 53 53 ARG HG2 H 1 1.486 . . 2 . . . . . . . . 7067 1 315 . 1 1 53 53 ARG HD2 H 1 3.073 . . 2 . . . . . . . . 7067 1 316 . 1 1 53 53 ARG N N 15 120.392 . . 1 . . . . . . . . 7067 1 317 . 1 1 54 54 ARG H H 1 8.108 . . 1 . . . . . . . . 7067 1 318 . 1 1 54 54 ARG HA H 1 4.139 . . 1 . . . . . . . . 7067 1 319 . 1 1 54 54 ARG HB2 H 1 1.272 . . 2 . . . . . . . . 7067 1 320 . 1 1 54 54 ARG HB3 H 1 1.483 . . 2 . . . . . . . . 7067 1 321 . 1 1 54 54 ARG N N 15 121.523 . . 1 . . . . . . . . 7067 1 322 . 1 1 55 55 LEU H H 1 8.147 . . 1 . . . . . . . . 7067 1 323 . 1 1 55 55 LEU HA H 1 4.188 . . 1 . . . . . . . . 7067 1 324 . 1 1 55 55 LEU HB2 H 1 1.418 . . 2 . . . . . . . . 7067 1 325 . 1 1 55 55 LEU HB3 H 1 1.486 . . 2 . . . . . . . . 7067 1 326 . 1 1 55 55 LEU HD21 H 1 0.802 . . 2 . . . . . . . . 7067 1 327 . 1 1 55 55 LEU HD22 H 1 0.802 . . 2 . . . . . . . . 7067 1 328 . 1 1 55 55 LEU HD23 H 1 0.802 . . 2 . . . . . . . . 7067 1 329 . 1 1 55 55 LEU N N 15 123.452 . . 1 . . . . . . . . 7067 1 330 . 1 1 56 56 PHE H H 1 8.093 . . 1 . . . . . . . . 7067 1 331 . 1 1 56 56 PHE HA H 1 4.531 . . 1 . . . . . . . . 7067 1 332 . 1 1 56 56 PHE HB2 H 1 2.916 . . 2 . . . . . . . . 7067 1 333 . 1 1 56 56 PHE HB3 H 1 3.104 . . 2 . . . . . . . . 7067 1 334 . 1 1 56 56 PHE HD1 H 1 7.123 . . 3 . . . . . . . . 7067 1 335 . 1 1 56 56 PHE N N 15 119.125 . . 1 . . . . . . . . 7067 1 336 . 1 1 57 57 LEU H H 1 8.108 . . 1 . . . . . . . . 7067 1 337 . 1 1 57 57 LEU HA H 1 4.314 . . 1 . . . . . . . . 7067 1 338 . 1 1 57 57 LEU HB2 H 1 1.478 . . 2 . . . . . . . . 7067 1 339 . 1 1 57 57 LEU HB3 H 1 1.591 . . 2 . . . . . . . . 7067 1 340 . 1 1 57 57 LEU HD11 H 1 0.807 . . 2 . . . . . . . . 7067 1 341 . 1 1 57 57 LEU HD12 H 1 0.807 . . 2 . . . . . . . . 7067 1 342 . 1 1 57 57 LEU HD13 H 1 0.807 . . 2 . . . . . . . . 7067 1 343 . 1 1 57 57 LEU N N 15 122.289 . . 1 . . . . . . . . 7067 1 344 . 1 1 58 58 VAL H H 1 8.034 . . 1 . . . . . . . . 7067 1 345 . 1 1 58 58 VAL HA H 1 4.074 . . 1 . . . . . . . . 7067 1 346 . 1 1 58 58 VAL HB H 1 1.978 . . 1 . . . . . . . . 7067 1 347 . 1 1 58 58 VAL HG21 H 1 0.767 . . 2 . . . . . . . . 7067 1 348 . 1 1 58 58 VAL HG22 H 1 0.767 . . 2 . . . . . . . . 7067 1 349 . 1 1 58 58 VAL HG23 H 1 0.767 . . 2 . . . . . . . . 7067 1 350 . 1 1 58 58 VAL N N 15 119.898 . . 1 . . . . . . . . 7067 1 351 . 1 1 59 59 ASP H H 1 8.484 . . 1 . . . . . . . . 7067 1 352 . 1 1 59 59 ASP HA H 1 4.670 . . 1 . . . . . . . . 7067 1 353 . 1 1 59 59 ASP HB2 H 1 2.618 . . 2 . . . . . . . . 7067 1 354 . 1 1 59 59 ASP HB3 H 1 2.770 . . 2 . . . . . . . . 7067 1 355 . 1 1 59 59 ASP N N 15 123.344 . . 1 . . . . . . . . 7067 1 356 . 1 1 60 60 ASP H H 1 8.043 . . 1 . . . . . . . . 7067 1 357 . 1 1 60 60 ASP HA H 1 4.425 . . 1 . . . . . . . . 7067 1 358 . 1 1 60 60 ASP HB2 H 1 2.698 . . 2 . . . . . . . . 7067 1 359 . 1 1 60 60 ASP N N 15 124.328 . . 1 . . . . . . . . 7067 1 stop_ save_