data_6405 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6405 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the first cadherin domain of Cadherin-related neuronal receptor(CNR)/ Protocadherin alpha ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-30 _Entry.Accession_date 2004-11-30 _Entry.Last_release_date 2004-11-30 _Entry.Original_release_date 2004-11-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _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 Masataka Umitsu . . . . 6405 2 Hirofumi Morishita . . . . 6405 3 Yoji Murata . . . . 6405 4 Keiko Udaka . . . . 6405 5 Hideo Akutsu . . . . 6405 6 Takeshi Yagi . . . . 6405 7 Takahisa Ikegami . . . . 6405 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6405 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 338 6405 '15N chemical shifts' 86 6405 '1H chemical shifts' 622 6405 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 . . 2005-12-15 . original BMRB . 6405 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6405 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15929006 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the first cadherin domain of Cadherin-related neuronal receptor (CNR)/protocadherin alpha. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 4 _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 365 _Citation.Page_last 366 _Citation.Year 2005 _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 Masataka Umitsu . . . . 6405 1 2 Hirofumi Morishita . . . . 6405 1 3 Yoji Murata . . . . 6405 1 4 Keiko Udaka . . . . 6405 1 5 Hideo Akutsu . . . . 6405 1 6 Takeshi Yagi . . . . 6405 1 7 Takahisa Ikegami . . . . 6405 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CNR 6405 1 Cadherin 6405 1 'heteronuclear NMR' 6405 1 protocadherin 6405 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6405 _Assembly.ID 1 _Assembly.Name CNR-EC1 _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 'all disulfide bound' _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 6405 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 CNR-EC1 1 $CNR-EC1 . . . native . . . . . 6405 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 70 70 SG . 1 . 1 CYS 76 76 SG . . . . . . . . . . . . 6405 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CNR-EC1 abbreviation 6405 1 CNR-EC1 system 6405 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CNR-EC1 _Entity.Sf_category entity _Entity.Sf_framecode CNR-EC1 _Entity.Entry_ID 6405 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CNR-EC1 _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 ; GNSQIHYSIPEEAKHGTFVG RIAQDLGLELTELVPRLFRV ASKDRGDLLEVNLQNGILFV NSRIDREELCGRSAECSIHL EVIVDRPLQVFHVEVEVRDI NDN ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _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 2010-09-19 _Entity.DB_query_revised_last_date 2010-05-08 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 . . PDB 1WUZ . 'Structure Of Ec1 Domain Of Cnr' . . . . . 100.00 103 100.00 100.00 5.69e-52 . . . . 6405 1 . . DBJ BAA29045 . 'CNR1 [Mus musculus]' . . . . . 100.00 947 100.00 100.00 6.45e-54 . . . . 6405 1 . . DBJ BAA29048 . 'Cadherin-related neural recepter 3 [Mus musculus]' . . . . . 88.35 909 98.90 100.00 6.96e-46 . . . . 6405 1 . . DBJ BAA29052 . 'Cadherin-related neural recepter 7 [Mus musculus]' . . . . . 88.35 914 98.90 100.00 6.35e-46 . . . . 6405 1 . . DBJ BAD06369 . 'cadherin-related neuronal receptor 4 [Rattus norvegicus]' . . . . . 100.00 947 98.06 99.03 3.94e-53 . . . . 6405 1 . . DBJ BAE28788 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 919 100.00 100.00 8.92e-54 . . . . 6405 1 . . GB AAH60211 . 'Pcdha4 protein [Mus musculus]' . . . . . 100.00 640 100.00 100.00 1.32e-53 . . . . 6405 1 . . GB AAH85793 . 'Pcdha4 protein [Rattus norvegicus]' . . . . . 100.00 686 98.06 99.03 6.84e-53 . . . . 6405 1 . . GB AAK26051 . 'protocadherin alpha 4 [Mus musculus]' . . . . . 100.00 947 100.00 100.00 6.45e-54 . . . . 6405 1 . . GB AAM93577 . 'protocadherin [Mus musculus]' . . . . . 100.00 795 100.00 100.00 1.02e-53 . . . . 6405 1 . . GB AAM93579 . 'protocadherin [Mus musculus]' . . . . . 100.00 919 100.00 100.00 6.18e-54 . . . . 6405 1 . . REF NP_001167625 . 'protocadherin alpha 4-gamma [Mus musculus]' . . . . . 100.00 919 100.00 100.00 6.18e-54 . . . . 6405 1 . . REF NP_031792 . 'protocadherin alpha-4 precursor [Mus musculus]' . . . . . 100.00 947 100.00 100.00 6.45e-54 . . . . 6405 1 . . REF NP_446385 . 'protocadherin alpha-4 precursor [Rattus norvegicus]' . . . . . 100.00 947 98.06 99.03 3.94e-53 . . . . 6405 1 . . REF XP_001476008 . 'PREDICTED: similar to protocadherin [Mus musculus]' . . . . . 100.00 807 100.00 100.00 1.10e-53 . . . . 6405 1 . . SP O88689 . 'RecName: Full=Protocadherin alpha-4; Short=PCDH-alpha-4; Flags: Precursor' . . . . . 100.00 947 100.00 100.00 6.45e-54 . . . . 6405 1 . . SP Q767I8 . 'RecName: Full=Protocadherin alpha-4; Short=PCDH-alpha-4; AltName...' . . . . . 100.00 947 98.06 99.03 3.94e-53 . . . . 6405 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CNR-EC1 abbreviation 6405 1 CNR-EC1 common 6405 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 . GLY . 6405 1 2 . ASN . 6405 1 3 . SER . 6405 1 4 . GLN . 6405 1 5 . ILE . 6405 1 6 . HIS . 6405 1 7 . TYR . 6405 1 8 . SER . 6405 1 9 . ILE . 6405 1 10 . PRO . 6405 1 11 . GLU . 6405 1 12 . GLU . 6405 1 13 . ALA . 6405 1 14 . LYS . 6405 1 15 . HIS . 6405 1 16 . GLY . 6405 1 17 . THR . 6405 1 18 . PHE . 6405 1 19 . VAL . 6405 1 20 . GLY . 6405 1 21 . ARG . 6405 1 22 . ILE . 6405 1 23 . ALA . 6405 1 24 . GLN . 6405 1 25 . ASP . 6405 1 26 . LEU . 6405 1 27 . GLY . 6405 1 28 . LEU . 6405 1 29 . GLU . 6405 1 30 . LEU . 6405 1 31 . THR . 6405 1 32 . GLU . 6405 1 33 . LEU . 6405 1 34 . VAL . 6405 1 35 . PRO . 6405 1 36 . ARG . 6405 1 37 . LEU . 6405 1 38 . PHE . 6405 1 39 . ARG . 6405 1 40 . VAL . 6405 1 41 . ALA . 6405 1 42 . SER . 6405 1 43 . LYS . 6405 1 44 . ASP . 6405 1 45 . ARG . 6405 1 46 . GLY . 6405 1 47 . ASP . 6405 1 48 . LEU . 6405 1 49 . LEU . 6405 1 50 . GLU . 6405 1 51 . VAL . 6405 1 52 . ASN . 6405 1 53 . LEU . 6405 1 54 . GLN . 6405 1 55 . ASN . 6405 1 56 . GLY . 6405 1 57 . ILE . 6405 1 58 . LEU . 6405 1 59 . PHE . 6405 1 60 . VAL . 6405 1 61 . ASN . 6405 1 62 . SER . 6405 1 63 . ARG . 6405 1 64 . ILE . 6405 1 65 . ASP . 6405 1 66 . ARG . 6405 1 67 . GLU . 6405 1 68 . GLU . 6405 1 69 . LEU . 6405 1 70 . CYS . 6405 1 71 . GLY . 6405 1 72 . ARG . 6405 1 73 . SER . 6405 1 74 . ALA . 6405 1 75 . GLU . 6405 1 76 . CYS . 6405 1 77 . SER . 6405 1 78 . ILE . 6405 1 79 . HIS . 6405 1 80 . LEU . 6405 1 81 . GLU . 6405 1 82 . VAL . 6405 1 83 . ILE . 6405 1 84 . VAL . 6405 1 85 . ASP . 6405 1 86 . ARG . 6405 1 87 . PRO . 6405 1 88 . LEU . 6405 1 89 . GLN . 6405 1 90 . VAL . 6405 1 91 . PHE . 6405 1 92 . HIS . 6405 1 93 . VAL . 6405 1 94 . GLU . 6405 1 95 . VAL . 6405 1 96 . GLU . 6405 1 97 . VAL . 6405 1 98 . ARG . 6405 1 99 . ASP . 6405 1 100 . ILE . 6405 1 101 . ASN . 6405 1 102 . ASP . 6405 1 103 . ASN . 6405 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 . GLY 1 1 6405 1 . ASN 2 2 6405 1 . SER 3 3 6405 1 . GLN 4 4 6405 1 . ILE 5 5 6405 1 . HIS 6 6 6405 1 . TYR 7 7 6405 1 . SER 8 8 6405 1 . ILE 9 9 6405 1 . PRO 10 10 6405 1 . GLU 11 11 6405 1 . GLU 12 12 6405 1 . ALA 13 13 6405 1 . LYS 14 14 6405 1 . HIS 15 15 6405 1 . GLY 16 16 6405 1 . THR 17 17 6405 1 . PHE 18 18 6405 1 . VAL 19 19 6405 1 . GLY 20 20 6405 1 . ARG 21 21 6405 1 . ILE 22 22 6405 1 . ALA 23 23 6405 1 . GLN 24 24 6405 1 . ASP 25 25 6405 1 . LEU 26 26 6405 1 . GLY 27 27 6405 1 . LEU 28 28 6405 1 . GLU 29 29 6405 1 . LEU 30 30 6405 1 . THR 31 31 6405 1 . GLU 32 32 6405 1 . LEU 33 33 6405 1 . VAL 34 34 6405 1 . PRO 35 35 6405 1 . ARG 36 36 6405 1 . LEU 37 37 6405 1 . PHE 38 38 6405 1 . ARG 39 39 6405 1 . VAL 40 40 6405 1 . ALA 41 41 6405 1 . SER 42 42 6405 1 . LYS 43 43 6405 1 . ASP 44 44 6405 1 . ARG 45 45 6405 1 . GLY 46 46 6405 1 . ASP 47 47 6405 1 . LEU 48 48 6405 1 . LEU 49 49 6405 1 . GLU 50 50 6405 1 . VAL 51 51 6405 1 . ASN 52 52 6405 1 . LEU 53 53 6405 1 . GLN 54 54 6405 1 . ASN 55 55 6405 1 . GLY 56 56 6405 1 . ILE 57 57 6405 1 . LEU 58 58 6405 1 . PHE 59 59 6405 1 . VAL 60 60 6405 1 . ASN 61 61 6405 1 . SER 62 62 6405 1 . ARG 63 63 6405 1 . ILE 64 64 6405 1 . ASP 65 65 6405 1 . ARG 66 66 6405 1 . GLU 67 67 6405 1 . GLU 68 68 6405 1 . LEU 69 69 6405 1 . CYS 70 70 6405 1 . GLY 71 71 6405 1 . ARG 72 72 6405 1 . SER 73 73 6405 1 . ALA 74 74 6405 1 . GLU 75 75 6405 1 . CYS 76 76 6405 1 . SER 77 77 6405 1 . ILE 78 78 6405 1 . HIS 79 79 6405 1 . LEU 80 80 6405 1 . GLU 81 81 6405 1 . VAL 82 82 6405 1 . ILE 83 83 6405 1 . VAL 84 84 6405 1 . ASP 85 85 6405 1 . ARG 86 86 6405 1 . PRO 87 87 6405 1 . LEU 88 88 6405 1 . GLN 89 89 6405 1 . VAL 90 90 6405 1 . PHE 91 91 6405 1 . HIS 92 92 6405 1 . VAL 93 93 6405 1 . GLU 94 94 6405 1 . VAL 95 95 6405 1 . GLU 96 96 6405 1 . VAL 97 97 6405 1 . ARG 98 98 6405 1 . ASP 99 99 6405 1 . ILE 100 100 6405 1 . ASN 101 101 6405 1 . ASP 102 102 6405 1 . ASN 103 103 6405 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 6405 _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 $CNR-EC1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 6405 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 6405 _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 $CNR-EC1 . 'recombinant technology' . . . . . . . . . . . . . . . . 6405 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6405 _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 CNR-EC1 . . . 1 $CNR-EC1 . . 0.1 . . mM . . . . 6405 1 2 D2O . . . . . . . 99 . . % . . . . 6405 1 3 Tris-HCl . . . . . . . 50 . . mM . . . . 6405 1 4 NaCl . . . . . . . 80 . . mM . . . . 6405 1 5 CaCl2 . . . . . . . 1.5 . . mM . . . . 6405 1 6 NaN3 . . . . . . . 0.02 . . %(w/v) . . . . 6405 1 7 PefaBloc . . . . . . . 0.3 . . mM . . . . 6405 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6405 _Sample.ID 2 _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 CNR-EC1 [U-15N] . . 1 $CNR-EC1 . . 0.1 . . mM . . . . 6405 2 2 H2O . . . . . . . 92 . . % . . . . 6405 2 3 D2O . . . . . . . 8 . . % . . . . 6405 2 4 Tris-HCl . . . . . . . 50 . . mM . . . . 6405 2 5 NaCl . . . . . . . 80 . . mM . . . . 6405 2 6 CaCl2 . . . . . . . 1.5 . . mM . . . . 6405 2 7 NaN3 . . . . . . . 0.02 . . %(w/v) . . . . 6405 2 8 PefaBloc . . . . . . . 0.3 . . mM . . . . 6405 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6405 _Sample.ID 3 _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 CNR-EC1 '[U-15N; U-13C]' . . 1 $CNR-EC1 . . 0.1 . . mM . . . . 6405 3 2 H2O . . . . . . . 92 . . % . . . . 6405 3 3 D2O . . . . . . . 8 . . % . . . . 6405 3 4 Tris-HCl . . . . . . . 50 . . mM . . . . 6405 3 5 NaCl . . . . . . . 80 . . mM . . . . 6405 3 6 CaCl2 . . . . . . . 1.5 . . mM . . . . 6405 3 7 NaN3 . . . . . . . 0.02 . . %(w/v) . . . . 6405 3 8 PefaBloc . . . . . . . 0.3 . . mM . . . . 6405 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6405 _Sample.ID 4 _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 CNR-EC1 '[U-15N; U-13C]' . . 1 $CNR-EC1 . . 0.1 . . mM . . . . 6405 4 2 D2O . . . . . . . 99 . . % . . . . 6405 4 3 Tris-HCl . . . . . . . 50 . . mM . . . . 6405 4 4 NaCl . . . . . . . 80 . . mM . . . . 6405 4 5 CaCl2 . . . . . . . 1.5 . . mM . . . . 6405 4 6 NaN3 . . . . . . . 0.02 . . %(w/v) . . . . 6405 4 7 PefaBloc . . . . . . . 0.3 . . mM . . . . 6405 4 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 6405 _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 8.0 0 pH 6405 1 temperature 303 0 K 6405 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 6405 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; NMR spectra for the resonance assignment of the main-chain were acquired at 303 K with a Bruker DRX-800 NMR spectrometer (800.23MHz) equipped with a triple resonance (1H, 15N, and 13C) cryogenic probe with a z-axis gradient coil. Spectra for the side-chain assignments were acquired with a DRX-500 spectrometer (500.13MHz) equipped with a normal triple resonance probe with a self-shielded triple axis gradient coil. ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 6405 _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 spectrometer Bruker DRX . 800 ; NMR spectra for the resonance assignment of the main-chain were acquired at 303 K with a Bruker DRX-800 NMR spectrometer (800.23MHz) equipped with a triple resonance (1H, 15N, and 13C) cryogenic probe with a z-axis gradient coil. Spectra for the side-chain assignments were acquired with a DRX-500 spectrometer (500.13MHz) equipped with a normal triple resonance probe with a self-shielded triple axis gradient coil. ; . . 6405 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 6405 _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 1H-1H-TOCSY . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 2 15N-1H-HSQC . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 3 '15N-edited TOCSY' . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 4 HNCO . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 5 HN(CA)CO . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 7 HNCACB . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 8 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 9 C(CO)NH . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 10 H(CCO)NH . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 11 13C-1H-HSQC . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 1 12 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6405 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 6405 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 6405 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6405 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6405 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 6405 _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 1H-1H-TOCSY 1 $sample_1 . 6405 1 2 15N-1H-HSQC 1 $sample_1 . 6405 1 3 '15N-edited TOCSY' 1 $sample_1 . 6405 1 4 HNCO 1 $sample_1 . 6405 1 5 HN(CA)CO 1 $sample_1 . 6405 1 6 CBCA(CO)NH 1 $sample_1 . 6405 1 7 HNCACB 1 $sample_1 . 6405 1 8 HBHA(CBCACO)NH 1 $sample_1 . 6405 1 9 C(CO)NH 1 $sample_1 . 6405 1 10 H(CCO)NH 1 $sample_1 . 6405 1 11 13C-1H-HSQC 1 $sample_1 . 6405 1 12 HCCH-TOCSY 1 $sample_1 . 6405 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.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 3 3 SER HA H 1 4.418 0.02 . 1 . . . . . . . . . 6405 1 2 . 1 1 3 3 SER HB2 H 1 3.754 0.02 . 1 . . . . . . . . . 6405 1 3 . 1 1 3 3 SER HB3 H 1 3.754 0.02 . 1 . . . . . . . . . 6405 1 4 . 1 1 3 3 SER HG H 1 2.954 0.02 . 1 . . . . . . . . . 6405 1 5 . 1 1 3 3 SER C C 13 173.7 0.05 . 1 . . . . . . . . . 6405 1 6 . 1 1 3 3 SER CA C 13 58.67 0.05 . 1 . . . . . . . . . 6405 1 7 . 1 1 3 3 SER CB C 13 63.71 0.05 . 1 . . . . . . . . . 6405 1 8 . 1 1 4 4 GLN H H 1 8.366 0.02 . 1 . . . . . . . . . 6405 1 9 . 1 1 4 4 GLN HA H 1 4.64 0.02 . 1 . . . . . . . . . 6405 1 10 . 1 1 4 4 GLN HB2 H 1 2.054 0.02 . 2 . . . . . . . . . 6405 1 11 . 1 1 4 4 GLN HB3 H 1 1.988 0.02 . 2 . . . . . . . . . 6405 1 12 . 1 1 4 4 GLN HG2 H 1 2.257 0.02 . 1 . . . . . . . . . 6405 1 13 . 1 1 4 4 GLN HG3 H 1 2.257 0.02 . 1 . . . . . . . . . 6405 1 14 . 1 1 4 4 GLN C C 13 175.3 0.05 . 1 . . . . . . . . . 6405 1 15 . 1 1 4 4 GLN CA C 13 56.21 0.05 . 1 . . . . . . . . . 6405 1 16 . 1 1 4 4 GLN CB C 13 30.38 0.05 . 1 . . . . . . . . . 6405 1 17 . 1 1 4 4 GLN N N 15 121.927 0.05 . 1 . . . . . . . . . 6405 1 18 . 1 1 5 5 ILE H H 1 7.755 0.02 . 1 . . . . . . . . . 6405 1 19 . 1 1 5 5 ILE HA H 1 4.172 0.02 . 1 . . . . . . . . . 6405 1 20 . 1 1 5 5 ILE HB H 1 1.506 0.02 . 1 . . . . . . . . . 6405 1 21 . 1 1 5 5 ILE HG12 H 1 1.069 0.02 . 1 . . . . . . . . . 6405 1 22 . 1 1 5 5 ILE HG13 H 1 1.069 0.02 . 1 . . . . . . . . . 6405 1 23 . 1 1 5 5 ILE HG21 H 1 0.2712 0.02 . 1 . . . . . . . . . 6405 1 24 . 1 1 5 5 ILE HG22 H 1 0.2712 0.02 . 1 . . . . . . . . . 6405 1 25 . 1 1 5 5 ILE HG23 H 1 0.2712 0.02 . 1 . . . . . . . . . 6405 1 26 . 1 1 5 5 ILE HD11 H 1 0.6151 0.02 . 1 . . . . . . . . . 6405 1 27 . 1 1 5 5 ILE HD12 H 1 0.6151 0.02 . 1 . . . . . . . . . 6405 1 28 . 1 1 5 5 ILE HD13 H 1 0.6151 0.02 . 1 . . . . . . . . . 6405 1 29 . 1 1 5 5 ILE C C 13 173.4 0.05 . 1 . . . . . . . . . 6405 1 30 . 1 1 5 5 ILE CA C 13 59.21 0.05 . 1 . . . . . . . . . 6405 1 31 . 1 1 5 5 ILE CB C 13 39.44 0.05 . 1 . . . . . . . . . 6405 1 32 . 1 1 5 5 ILE CG1 C 13 27.84 0.05 . 1 . . . . . . . . . 6405 1 33 . 1 1 5 5 ILE CG2 C 13 17.75 0.05 . 1 . . . . . . . . . 6405 1 34 . 1 1 5 5 ILE CD1 C 13 12.66 0.05 . 1 . . . . . . . . . 6405 1 35 . 1 1 5 5 ILE N N 15 120.196 0.05 . 1 . . . . . . . . . 6405 1 36 . 1 1 6 6 HIS H H 1 7.992 0.02 . 1 . . . . . . . . . 6405 1 37 . 1 1 6 6 HIS HA H 1 5.222 0.02 . 1 . . . . . . . . . 6405 1 38 . 1 1 6 6 HIS HB2 H 1 2.933 0.02 . 2 . . . . . . . . . 6405 1 39 . 1 1 6 6 HIS HB3 H 1 2.777 0.02 . 2 . . . . . . . . . 6405 1 40 . 1 1 6 6 HIS HD2 H 1 6.782 0.02 . 1 . . . . . . . . . 6405 1 41 . 1 1 6 6 HIS HE1 H 1 7.606 0.02 . 1 . . . . . . . . . 6405 1 42 . 1 1 6 6 HIS C C 13 174.1 0.05 . 1 . . . . . . . . . 6405 1 43 . 1 1 6 6 HIS CA C 13 55.15 0.05 . 1 . . . . . . . . . 6405 1 44 . 1 1 6 6 HIS CB C 13 32.72 0.05 . 1 . . . . . . . . . 6405 1 45 . 1 1 6 6 HIS N N 15 125.523 0.05 . 1 . . . . . . . . . 6405 1 46 . 1 1 7 7 TYR H H 1 8.553 0.02 . 1 . . . . . . . . . 6405 1 47 . 1 1 7 7 TYR HA H 1 5.212 0.02 . 1 . . . . . . . . . 6405 1 48 . 1 1 7 7 TYR HB2 H 1 3.055 0.02 . 2 . . . . . . . . . 6405 1 49 . 1 1 7 7 TYR HB3 H 1 2.201 0.02 . 2 . . . . . . . . . 6405 1 50 . 1 1 7 7 TYR HD1 H 1 6.701 0.02 . 1 . . . . . . . . . 6405 1 51 . 1 1 7 7 TYR HD2 H 1 6.701 0.02 . 1 . . . . . . . . . 6405 1 52 . 1 1 7 7 TYR HE1 H 1 6.369 0.02 . 1 . . . . . . . . . 6405 1 53 . 1 1 7 7 TYR HE2 H 1 6.369 0.02 . 1 . . . . . . . . . 6405 1 54 . 1 1 7 7 TYR C C 13 174.7 0.05 . 1 . . . . . . . . . 6405 1 55 . 1 1 7 7 TYR CA C 13 54.43 0.05 . 1 . . . . . . . . . 6405 1 56 . 1 1 7 7 TYR CB C 13 43.26 0.05 . 1 . . . . . . . . . 6405 1 57 . 1 1 7 7 TYR N N 15 122.345 0.05 . 1 . . . . . . . . . 6405 1 58 . 1 1 8 8 SER H H 1 8.568 0.02 . 1 . . . . . . . . . 6405 1 59 . 1 1 8 8 SER HA H 1 5.333 0.02 . 1 . . . . . . . . . 6405 1 60 . 1 1 8 8 SER HB2 H 1 3.704 0.02 . 2 . . . . . . . . . 6405 1 61 . 1 1 8 8 SER HB3 H 1 3.577 0.02 . 2 . . . . . . . . . 6405 1 62 . 1 1 8 8 SER C C 13 173.5 0.05 . 1 . . . . . . . . . 6405 1 63 . 1 1 8 8 SER CA C 13 57.36 0.05 . 1 . . . . . . . . . 6405 1 64 . 1 1 8 8 SER CB C 13 64.33 0.05 . 1 . . . . . . . . . 6405 1 65 . 1 1 8 8 SER N N 15 114.409 0.05 . 1 . . . . . . . . . 6405 1 66 . 1 1 9 9 ILE H H 1 8.966 0.02 . 1 . . . . . . . . . 6405 1 67 . 1 1 9 9 ILE HA H 1 4.943 0.02 . 1 . . . . . . . . . 6405 1 68 . 1 1 9 9 ILE HB H 1 1.702 0.02 . 1 . . . . . . . . . 6405 1 69 . 1 1 9 9 ILE HG21 H 1 0.811 0.02 . 1 . . . . . . . . . 6405 1 70 . 1 1 9 9 ILE HG22 H 1 0.811 0.02 . 1 . . . . . . . . . 6405 1 71 . 1 1 9 9 ILE HG23 H 1 0.811 0.02 . 1 . . . . . . . . . 6405 1 72 . 1 1 9 9 ILE C C 13 171.9 0.02 . 1 . . . . . . . . . 6405 1 73 . 1 1 9 9 ILE CA C 13 56.97 0.02 . 1 . . . . . . . . . 6405 1 74 . 1 1 9 9 ILE CB C 13 42.01 0.02 . 1 . . . . . . . . . 6405 1 75 . 1 1 9 9 ILE CG2 C 13 20.87 0.02 . 1 . . . . . . . . . 6405 1 76 . 1 1 9 9 ILE N N 15 122.5 0.02 . 1 . . . . . . . . . 6405 1 77 . 1 1 10 10 PRO HA H 1 4.624 0.02 . 1 . . . . . . . . . 6405 1 78 . 1 1 10 10 PRO HB2 H 1 2.035 0.02 . 2 . . . . . . . . . 6405 1 79 . 1 1 10 10 PRO HB3 H 1 1.994 0.02 . 2 . . . . . . . . . 6405 1 80 . 1 1 10 10 PRO HD2 H 1 3.654 0.02 . 1 . . . . . . . . . 6405 1 81 . 1 1 10 10 PRO HD3 H 1 3.654 0.02 . 1 . . . . . . . . . 6405 1 82 . 1 1 10 10 PRO C C 13 176.1 0.05 . 1 . . . . . . . . . 6405 1 83 . 1 1 10 10 PRO CA C 13 62.06 0.05 . 1 . . . . . . . . . 6405 1 84 . 1 1 10 10 PRO CB C 13 31.32 0.05 . 1 . . . . . . . . . 6405 1 85 . 1 1 11 11 GLU H H 1 7.97 0.02 . 1 . . . . . . . . . 6405 1 86 . 1 1 11 11 GLU HA H 1 4.118 0.02 . 1 . . . . . . . . . 6405 1 87 . 1 1 11 11 GLU HB2 H 1 1.661 0.02 . 2 . . . . . . . . . 6405 1 88 . 1 1 11 11 GLU HB3 H 1 1.514 0.02 . 2 . . . . . . . . . 6405 1 89 . 1 1 11 11 GLU CA C 13 55.91 0.05 . 1 . . . . . . . . . 6405 1 90 . 1 1 11 11 GLU CB C 13 28.81 0.05 . 1 . . . . . . . . . 6405 1 91 . 1 1 11 11 GLU N N 15 115.127 0.05 . 1 . . . . . . . . . 6405 1 92 . 1 1 12 12 GLU HA H 1 4.098 0.02 . 1 . . . . . . . . . 6405 1 93 . 1 1 12 12 GLU HB2 H 1 1.99 0.02 . 1 . . . . . . . . . 6405 1 94 . 1 1 12 12 GLU HB3 H 1 1.99 0.02 . 1 . . . . . . . . . 6405 1 95 . 1 1 12 12 GLU HG2 H 1 2.305 0.02 . 1 . . . . . . . . . 6405 1 96 . 1 1 12 12 GLU HG3 H 1 2.305 0.02 . 1 . . . . . . . . . 6405 1 97 . 1 1 12 12 GLU C C 13 176.2 0.05 . 1 . . . . . . . . . 6405 1 98 . 1 1 12 12 GLU CA C 13 56.52 0.05 . 1 . . . . . . . . . 6405 1 99 . 1 1 12 12 GLU CB C 13 24.79 0.05 . 1 . . . . . . . . . 6405 1 100 . 1 1 13 13 ALA H H 1 7.236 0.02 . 1 . . . . . . . . . 6405 1 101 . 1 1 13 13 ALA HA H 1 4.187 0.02 . 1 . . . . . . . . . 6405 1 102 . 1 1 13 13 ALA HB1 H 1 1.444 0.02 . 1 . . . . . . . . . 6405 1 103 . 1 1 13 13 ALA HB2 H 1 1.444 0.02 . 1 . . . . . . . . . 6405 1 104 . 1 1 13 13 ALA HB3 H 1 1.444 0.02 . 1 . . . . . . . . . 6405 1 105 . 1 1 13 13 ALA C C 13 177.8 0.05 . 1 . . . . . . . . . 6405 1 106 . 1 1 13 13 ALA CA C 13 52.04 0.05 . 1 . . . . . . . . . 6405 1 107 . 1 1 13 13 ALA CB C 13 19.07 0.05 . 1 . . . . . . . . . 6405 1 108 . 1 1 13 13 ALA N N 15 121.508 0.05 . 1 . . . . . . . . . 6405 1 109 . 1 1 14 14 LYS H H 1 8.421 0.02 . 1 . . . . . . . . . 6405 1 110 . 1 1 14 14 LYS HA H 1 4.209 0.02 . 1 . . . . . . . . . 6405 1 111 . 1 1 14 14 LYS HB2 H 1 1.758 0.02 . 1 . . . . . . . . . 6405 1 112 . 1 1 14 14 LYS HB3 H 1 1.758 0.02 . 1 . . . . . . . . . 6405 1 113 . 1 1 14 14 LYS CA C 13 55.97 0.05 . 1 . . . . . . . . . 6405 1 114 . 1 1 14 14 LYS CB C 13 33.17 0.05 . 1 . . . . . . . . . 6405 1 115 . 1 1 14 14 LYS N N 15 119.673 0.05 . 1 . . . . . . . . . 6405 1 116 . 1 1 15 15 HIS HA H 1 3.832 0.02 . 1 . . . . . . . . . 6405 1 117 . 1 1 15 15 HIS HB2 H 1 3.069 0.02 . 2 . . . . . . . . . 6405 1 118 . 1 1 15 15 HIS HB3 H 1 2.898 0.02 . 2 . . . . . . . . . 6405 1 119 . 1 1 15 15 HIS HD2 H 1 6.849 0.02 . 1 . . . . . . . . . 6405 1 120 . 1 1 15 15 HIS C C 13 176.7 0.05 . 1 . . . . . . . . . 6405 1 121 . 1 1 15 15 HIS CA C 13 59.7 0.05 . 1 . . . . . . . . . 6405 1 122 . 1 1 15 15 HIS CB C 13 30.09 0.05 . 1 . . . . . . . . . 6405 1 123 . 1 1 16 16 GLY H H 1 9.144 0.02 . 1 . . . . . . . . . 6405 1 124 . 1 1 16 16 GLY HA2 H 1 4.2 0.02 . 2 . . . . . . . . . 6405 1 125 . 1 1 16 16 GLY HA3 H 1 3.177 0.02 . 2 . . . . . . . . . 6405 1 126 . 1 1 16 16 GLY C C 13 174.5 0.05 . 1 . . . . . . . . . 6405 1 127 . 1 1 16 16 GLY CA C 13 44.56 0.05 . 1 . . . . . . . . . 6405 1 128 . 1 1 16 16 GLY N N 15 114.582 0.05 . 1 . . . . . . . . . 6405 1 129 . 1 1 17 17 THR H H 1 7.724 0.02 . 1 . . . . . . . . . 6405 1 130 . 1 1 17 17 THR HA H 1 3.922 0.02 . 1 . . . . . . . . . 6405 1 131 . 1 1 17 17 THR HB H 1 3.787 0.02 . 1 . . . . . . . . . 6405 1 132 . 1 1 17 17 THR HG21 H 1 1.305 0.02 . 1 . . . . . . . . . 6405 1 133 . 1 1 17 17 THR HG22 H 1 1.305 0.02 . 1 . . . . . . . . . 6405 1 134 . 1 1 17 17 THR HG23 H 1 1.305 0.02 . 1 . . . . . . . . . 6405 1 135 . 1 1 17 17 THR C C 13 173.4 0.05 . 1 . . . . . . . . . 6405 1 136 . 1 1 17 17 THR CA C 13 65.64 0.05 . 1 . . . . . . . . . 6405 1 137 . 1 1 17 17 THR CB C 13 69.46 0.05 . 1 . . . . . . . . . 6405 1 138 . 1 1 17 17 THR N N 15 118.048 0.05 . 1 . . . . . . . . . 6405 1 139 . 1 1 18 18 PHE H H 1 8.719 0.02 . 1 . . . . . . . . . 6405 1 140 . 1 1 18 18 PHE HA H 1 3.946 0.02 . 1 . . . . . . . . . 6405 1 141 . 1 1 18 18 PHE HB2 H 1 3.204 0.02 . 2 . . . . . . . . . 6405 1 142 . 1 1 18 18 PHE HB3 H 1 2.882 0.02 . 2 . . . . . . . . . 6405 1 143 . 1 1 18 18 PHE HD1 H 1 7.092 0.02 . 1 . . . . . . . . . 6405 1 144 . 1 1 18 18 PHE HD2 H 1 7.092 0.02 . 1 . . . . . . . . . 6405 1 145 . 1 1 18 18 PHE HE1 H 1 7.132 0.02 . 1 . . . . . . . . . 6405 1 146 . 1 1 18 18 PHE HE2 H 1 7.132 0.02 . 1 . . . . . . . . . 6405 1 147 . 1 1 18 18 PHE C C 13 173.7 0.05 . 1 . . . . . . . . . 6405 1 148 . 1 1 18 18 PHE CA C 13 59.73 0.05 . 1 . . . . . . . . . 6405 1 149 . 1 1 18 18 PHE CB C 13 40 0.05 . 1 . . . . . . . . . 6405 1 150 . 1 1 18 18 PHE N N 15 129.003 0.05 . 1 . . . . . . . . . 6405 1 151 . 1 1 19 19 VAL H H 1 8.122 0.02 . 1 . . . . . . . . . 6405 1 152 . 1 1 19 19 VAL HA H 1 3.769 0.02 . 1 . . . . . . . . . 6405 1 153 . 1 1 19 19 VAL HB H 1 1.149 0.02 . 1 . . . . . . . . . 6405 1 154 . 1 1 19 19 VAL HG11 H 1 0.358 0.02 . 1 . . . . . . . . . 6405 1 155 . 1 1 19 19 VAL HG12 H 1 0.358 0.02 . 1 . . . . . . . . . 6405 1 156 . 1 1 19 19 VAL HG13 H 1 0.358 0.02 . 1 . . . . . . . . . 6405 1 157 . 1 1 19 19 VAL HG21 H 1 0.617 0.02 . 1 . . . . . . . . . 6405 1 158 . 1 1 19 19 VAL HG22 H 1 0.617 0.02 . 1 . . . . . . . . . 6405 1 159 . 1 1 19 19 VAL HG23 H 1 0.617 0.02 . 1 . . . . . . . . . 6405 1 160 . 1 1 19 19 VAL C C 13 174.5 0.05 . 1 . . . . . . . . . 6405 1 161 . 1 1 19 19 VAL CA C 13 62.95 0.05 . 1 . . . . . . . . . 6405 1 162 . 1 1 19 19 VAL CB C 13 32.41 0.05 . 1 . . . . . . . . . 6405 1 163 . 1 1 19 19 VAL CG1 C 13 22.45 0.05 . 1 . . . . . . . . . 6405 1 164 . 1 1 19 19 VAL CG2 C 13 22.21 0.05 . 1 . . . . . . . . . 6405 1 165 . 1 1 19 19 VAL N N 15 124.75 0.05 . 1 . . . . . . . . . 6405 1 166 . 1 1 20 20 GLY H H 1 6.267 0.02 . 1 . . . . . . . . . 6405 1 167 . 1 1 20 20 GLY HA2 H 1 3.321 0.02 . 2 . . . . . . . . . 6405 1 168 . 1 1 20 20 GLY HA3 H 1 2.564 0.02 . 2 . . . . . . . . . 6405 1 169 . 1 1 20 20 GLY C C 13 172.1 0.05 . 1 . . . . . . . . . 6405 1 170 . 1 1 20 20 GLY CA C 13 45.89 0.05 . 1 . . . . . . . . . 6405 1 171 . 1 1 20 20 GLY N N 15 99.9 0.05 . 1 . . . . . . . . . 6405 1 172 . 1 1 21 21 ARG H H 1 9.282 0.02 . 1 . . . . . . . . . 6405 1 173 . 1 1 21 21 ARG HA H 1 4.414 0.02 . 1 . . . . . . . . . 6405 1 174 . 1 1 21 21 ARG HB2 H 1 2.016 0.02 . 2 . . . . . . . . . 6405 1 175 . 1 1 21 21 ARG HB3 H 1 1.877 0.02 . 2 . . . . . . . . . 6405 1 176 . 1 1 21 21 ARG HG2 H 1 1.626 0.02 . 1 . . . . . . . . . 6405 1 177 . 1 1 21 21 ARG HG3 H 1 1.626 0.02 . 1 . . . . . . . . . 6405 1 178 . 1 1 21 21 ARG HD2 H 1 3.23 0.02 . 1 . . . . . . . . . 6405 1 179 . 1 1 21 21 ARG HD3 H 1 3.23 0.02 . 1 . . . . . . . . . 6405 1 180 . 1 1 21 21 ARG C C 13 174.7 0.05 . 1 . . . . . . . . . 6405 1 181 . 1 1 21 21 ARG CA C 13 55.25 0.05 . 1 . . . . . . . . . 6405 1 182 . 1 1 21 21 ARG CB C 13 27.43 0.05 . 1 . . . . . . . . . 6405 1 183 . 1 1 21 21 ARG N N 15 125.336 0.05 . 1 . . . . . . . . . 6405 1 184 . 1 1 22 22 ILE H H 1 6.83 0.02 . 1 . . . . . . . . . 6405 1 185 . 1 1 22 22 ILE HA H 1 4.422 0.02 . 1 . . . . . . . . . 6405 1 186 . 1 1 22 22 ILE HB H 1 1.534 0.02 . 1 . . . . . . . . . 6405 1 187 . 1 1 22 22 ILE HG12 H 1 1.069 0.02 . 1 . . . . . . . . . 6405 1 188 . 1 1 22 22 ILE HG13 H 1 1.069 0.02 . 1 . . . . . . . . . 6405 1 189 . 1 1 22 22 ILE HG21 H 1 0.875 0.02 . 1 . . . . . . . . . 6405 1 190 . 1 1 22 22 ILE HG22 H 1 0.875 0.02 . 1 . . . . . . . . . 6405 1 191 . 1 1 22 22 ILE HG23 H 1 0.875 0.02 . 1 . . . . . . . . . 6405 1 192 . 1 1 22 22 ILE HD11 H 1 0.848 0.02 . 1 . . . . . . . . . 6405 1 193 . 1 1 22 22 ILE HD12 H 1 0.848 0.02 . 1 . . . . . . . . . 6405 1 194 . 1 1 22 22 ILE HD13 H 1 0.848 0.02 . 1 . . . . . . . . . 6405 1 195 . 1 1 22 22 ILE C C 13 174.9 0.05 . 1 . . . . . . . . . 6405 1 196 . 1 1 22 22 ILE CA C 13 62.86 0.05 . 1 . . . . . . . . . 6405 1 197 . 1 1 22 22 ILE CB C 13 38.52 0.05 . 1 . . . . . . . . . 6405 1 198 . 1 1 22 22 ILE CG2 C 13 17.95 0.05 . 1 . . . . . . . . . 6405 1 199 . 1 1 22 22 ILE CD1 C 13 15.77 0.05 . 1 . . . . . . . . . 6405 1 200 . 1 1 22 22 ILE N N 15 121.657 0.05 . 1 . . . . . . . . . 6405 1 201 . 1 1 23 23 ALA H H 1 7.327 0.02 . 1 . . . . . . . . . 6405 1 202 . 1 1 23 23 ALA HA H 1 3.721 0.02 . 1 . . . . . . . . . 6405 1 203 . 1 1 23 23 ALA HB1 H 1 1.072 0.02 . 1 . . . . . . . . . 6405 1 204 . 1 1 23 23 ALA HB2 H 1 1.072 0.02 . 1 . . . . . . . . . 6405 1 205 . 1 1 23 23 ALA HB3 H 1 1.072 0.02 . 1 . . . . . . . . . 6405 1 206 . 1 1 23 23 ALA C C 13 178.3 0.05 . 1 . . . . . . . . . 6405 1 207 . 1 1 23 23 ALA CA C 13 55.95 0.05 . 1 . . . . . . . . . 6405 1 208 . 1 1 23 23 ALA CB C 13 18.37 0.05 . 1 . . . . . . . . . 6405 1 209 . 1 1 23 23 ALA N N 15 122.489 0.05 . 1 . . . . . . . . . 6405 1 210 . 1 1 24 24 GLN H H 1 8.521 0.02 . 1 . . . . . . . . . 6405 1 211 . 1 1 24 24 GLN HA H 1 3.948 0.02 . 1 . . . . . . . . . 6405 1 212 . 1 1 24 24 GLN HB2 H 1 2.006 0.02 . 1 . . . . . . . . . 6405 1 213 . 1 1 24 24 GLN HB3 H 1 2.006 0.02 . 1 . . . . . . . . . 6405 1 214 . 1 1 24 24 GLN HG2 H 1 2.261 0.02 . 1 . . . . . . . . . 6405 1 215 . 1 1 24 24 GLN HG3 H 1 2.261 0.02 . 1 . . . . . . . . . 6405 1 216 . 1 1 24 24 GLN C C 13 180.6 0.05 . 1 . . . . . . . . . 6405 1 217 . 1 1 24 24 GLN CA C 13 59.13 0.05 . 1 . . . . . . . . . 6405 1 218 . 1 1 24 24 GLN CB C 13 28.66 0.05 . 1 . . . . . . . . . 6405 1 219 . 1 1 24 24 GLN N N 15 118.021 0.05 . 1 . . . . . . . . . 6405 1 220 . 1 1 25 25 ASP H H 1 8.848 0.02 . 1 . . . . . . . . . 6405 1 221 . 1 1 25 25 ASP HA H 1 4.405 0.02 . 1 . . . . . . . . . 6405 1 222 . 1 1 25 25 ASP HB2 H 1 2.647 0.02 . 2 . . . . . . . . . 6405 1 223 . 1 1 25 25 ASP HB3 H 1 2.51 0.02 . 2 . . . . . . . . . 6405 1 224 . 1 1 25 25 ASP C C 13 177.8 0.05 . 1 . . . . . . . . . 6405 1 225 . 1 1 25 25 ASP CA C 13 57.03 0.05 . 1 . . . . . . . . . 6405 1 226 . 1 1 25 25 ASP CB C 13 39.45 0.05 . 1 . . . . . . . . . 6405 1 227 . 1 1 25 25 ASP N N 15 120.737 0.05 . 1 . . . . . . . . . 6405 1 228 . 1 1 26 26 LEU H H 1 7.36 0.02 . 1 . . . . . . . . . 6405 1 229 . 1 1 26 26 LEU HA H 1 4.036 0.02 . 1 . . . . . . . . . 6405 1 230 . 1 1 26 26 LEU HB2 H 1 1.433 0.02 . 2 . . . . . . . . . 6405 1 231 . 1 1 26 26 LEU HB3 H 1 0.65 0.02 . 2 . . . . . . . . . 6405 1 232 . 1 1 26 26 LEU HG H 1 1.571 0.02 . 1 . . . . . . . . . 6405 1 233 . 1 1 26 26 LEU HD11 H 1 0.297 0.02 . 1 . . . . . . . . . 6405 1 234 . 1 1 26 26 LEU HD12 H 1 0.297 0.02 . 1 . . . . . . . . . 6405 1 235 . 1 1 26 26 LEU HD13 H 1 0.297 0.02 . 1 . . . . . . . . . 6405 1 236 . 1 1 26 26 LEU HD21 H 1 0.262 0.02 . 1 . . . . . . . . . 6405 1 237 . 1 1 26 26 LEU HD22 H 1 0.262 0.02 . 1 . . . . . . . . . 6405 1 238 . 1 1 26 26 LEU HD23 H 1 0.262 0.02 . 1 . . . . . . . . . 6405 1 239 . 1 1 26 26 LEU C C 13 176.6 0.05 . 1 . . . . . . . . . 6405 1 240 . 1 1 26 26 LEU CA C 13 54.52 0.05 . 1 . . . . . . . . . 6405 1 241 . 1 1 26 26 LEU CB C 13 42.02 0.05 . 1 . . . . . . . . . 6405 1 242 . 1 1 26 26 LEU CD1 C 13 26.32 0.05 . 1 . . . . . . . . . 6405 1 243 . 1 1 26 26 LEU CD2 C 13 22.12 0.05 . 1 . . . . . . . . . 6405 1 244 . 1 1 26 26 LEU N N 15 118.123 0.05 . 1 . . . . . . . . . 6405 1 245 . 1 1 27 27 GLY H H 1 7.739 0.02 . 1 . . . . . . . . . 6405 1 246 . 1 1 27 27 GLY HA2 H 1 3.941 0.02 . 2 . . . . . . . . . 6405 1 247 . 1 1 27 27 GLY HA3 H 1 3.671 0.02 . 2 . . . . . . . . . 6405 1 248 . 1 1 27 27 GLY C C 13 174.5 0.05 . 1 . . . . . . . . . 6405 1 249 . 1 1 27 27 GLY CA C 13 45.78 0.05 . 1 . . . . . . . . . 6405 1 250 . 1 1 27 27 GLY N N 15 107.959 0.05 . 1 . . . . . . . . . 6405 1 251 . 1 1 28 28 LEU H H 1 7.965 0.02 . 1 . . . . . . . . . 6405 1 252 . 1 1 28 28 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . . 6405 1 253 . 1 1 28 28 LEU HB2 H 1 1.299 0.02 . 2 . . . . . . . . . 6405 1 254 . 1 1 28 28 LEU HB3 H 1 1.001 0.02 . 2 . . . . . . . . . 6405 1 255 . 1 1 28 28 LEU HD11 H 1 0.603 0.02 . 1 . . . . . . . . . 6405 1 256 . 1 1 28 28 LEU HD12 H 1 0.603 0.02 . 1 . . . . . . . . . 6405 1 257 . 1 1 28 28 LEU HD13 H 1 0.603 0.02 . 1 . . . . . . . . . 6405 1 258 . 1 1 28 28 LEU HD21 H 1 0.727 0.02 . 1 . . . . . . . . . 6405 1 259 . 1 1 28 28 LEU HD22 H 1 0.727 0.02 . 1 . . . . . . . . . 6405 1 260 . 1 1 28 28 LEU HD23 H 1 0.727 0.02 . 1 . . . . . . . . . 6405 1 261 . 1 1 28 28 LEU C C 13 176.3 0.05 . 1 . . . . . . . . . 6405 1 262 . 1 1 28 28 LEU CA C 13 53.4 0.05 . 1 . . . . . . . . . 6405 1 263 . 1 1 28 28 LEU CB C 13 43.1 0.05 . 1 . . . . . . . . . 6405 1 264 . 1 1 28 28 LEU CD1 C 13 26.99 0.05 . 1 . . . . . . . . . 6405 1 265 . 1 1 28 28 LEU CD2 C 13 23.93 0.05 . 1 . . . . . . . . . 6405 1 266 . 1 1 28 28 LEU N N 15 120.913 0.05 . 1 . . . . . . . . . 6405 1 267 . 1 1 29 29 GLU H H 1 9.073 0.02 . 1 . . . . . . . . . 6405 1 268 . 1 1 29 29 GLU HA H 1 4.207 0.02 . 1 . . . . . . . . . 6405 1 269 . 1 1 29 29 GLU HB2 H 1 2.002 0.02 . 2 . . . . . . . . . 6405 1 270 . 1 1 29 29 GLU HB3 H 1 1.76 0.02 . 2 . . . . . . . . . 6405 1 271 . 1 1 29 29 GLU HG2 H 1 2.236 0.02 . 1 . . . . . . . . . 6405 1 272 . 1 1 29 29 GLU HG3 H 1 2.236 0.02 . 1 . . . . . . . . . 6405 1 273 . 1 1 29 29 GLU C C 13 178.6 0.05 . 1 . . . . . . . . . 6405 1 274 . 1 1 29 29 GLU CA C 13 54.97 0.05 . 1 . . . . . . . . . 6405 1 275 . 1 1 29 29 GLU CB C 13 30.6 0.05 . 1 . . . . . . . . . 6405 1 276 . 1 1 29 29 GLU N N 15 121.791 0.05 . 1 . . . . . . . . . 6405 1 277 . 1 1 30 30 LEU H H 1 8.678 0.02 . 1 . . . . . . . . . 6405 1 278 . 1 1 30 30 LEU HA H 1 3.674 0.02 . 1 . . . . . . . . . 6405 1 279 . 1 1 30 30 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . . 6405 1 280 . 1 1 30 30 LEU HB3 H 1 1.429 0.02 . 2 . . . . . . . . . 6405 1 281 . 1 1 30 30 LEU HD11 H 1 0.776 0.02 . 1 . . . . . . . . . 6405 1 282 . 1 1 30 30 LEU HD12 H 1 0.776 0.02 . 1 . . . . . . . . . 6405 1 283 . 1 1 30 30 LEU HD13 H 1 0.776 0.02 . 1 . . . . . . . . . 6405 1 284 . 1 1 30 30 LEU HD21 H 1 0.528 0.02 . 1 . . . . . . . . . 6405 1 285 . 1 1 30 30 LEU HD22 H 1 0.528 0.02 . 1 . . . . . . . . . 6405 1 286 . 1 1 30 30 LEU HD23 H 1 0.528 0.02 . 1 . . . . . . . . . 6405 1 287 . 1 1 30 30 LEU CA C 13 57.95 0.05 . 1 . . . . . . . . . 6405 1 288 . 1 1 30 30 LEU CB C 13 40.75 0.05 . 1 . . . . . . . . . 6405 1 289 . 1 1 30 30 LEU CD1 C 13 25.05 0.05 . 1 . . . . . . . . . 6405 1 290 . 1 1 30 30 LEU CD2 C 13 22.88 0.05 . 1 . . . . . . . . . 6405 1 291 . 1 1 30 30 LEU N N 15 122.729 0.05 . 1 . . . . . . . . . 6405 1 292 . 1 1 31 31 THR H H 1 7.583 0.02 . 1 . . . . . . . . . 6405 1 293 . 1 1 31 31 THR HA H 1 4.001 0.02 . 1 . . . . . . . . . 6405 1 294 . 1 1 31 31 THR HB H 1 4.261 0.02 . 1 . . . . . . . . . 6405 1 295 . 1 1 31 31 THR HG1 H 1 4.18 0.02 . 1 . . . . . . . . . 6405 1 296 . 1 1 31 31 THR HG21 H 1 1.237 0.02 . 1 . . . . . . . . . 6405 1 297 . 1 1 31 31 THR HG22 H 1 1.237 0.02 . 1 . . . . . . . . . 6405 1 298 . 1 1 31 31 THR HG23 H 1 1.237 0.02 . 1 . . . . . . . . . 6405 1 299 . 1 1 31 31 THR C C 13 175.6 0.05 . 1 . . . . . . . . . 6405 1 300 . 1 1 31 31 THR CA C 13 63.21 0.05 . 1 . . . . . . . . . 6405 1 301 . 1 1 31 31 THR CB C 13 68.74 0.05 . 1 . . . . . . . . . 6405 1 302 . 1 1 31 31 THR N N 15 105.3 0.05 . 1 . . . . . . . . . 6405 1 303 . 1 1 32 32 GLU H H 1 7.53 0.02 . 1 . . . . . . . . . 6405 1 304 . 1 1 32 32 GLU HA H 1 4.534 0.02 . 1 . . . . . . . . . 6405 1 305 . 1 1 32 32 GLU HB2 H 1 2.195 0.02 . 2 . . . . . . . . . 6405 1 306 . 1 1 32 32 GLU HB3 H 1 1.897 0.02 . 2 . . . . . . . . . 6405 1 307 . 1 1 32 32 GLU HG2 H 1 2.486 0.02 . 1 . . . . . . . . . 6405 1 308 . 1 1 32 32 GLU HG3 H 1 2.486 0.02 . 1 . . . . . . . . . 6405 1 309 . 1 1 32 32 GLU C C 13 176.4 0.05 . 1 . . . . . . . . . 6405 1 310 . 1 1 32 32 GLU CA C 13 55.85 0.05 . 1 . . . . . . . . . 6405 1 311 . 1 1 32 32 GLU CB C 13 31.56 0.05 . 1 . . . . . . . . . 6405 1 312 . 1 1 32 32 GLU N N 15 118.008 0.05 . 1 . . . . . . . . . 6405 1 313 . 1 1 33 33 LEU H H 1 7.041 0.02 . 1 . . . . . . . . . 6405 1 314 . 1 1 33 33 LEU HA H 1 3.745 0.02 . 1 . . . . . . . . . 6405 1 315 . 1 1 33 33 LEU HB2 H 1 1.902 0.02 . 2 . . . . . . . . . 6405 1 316 . 1 1 33 33 LEU HB3 H 1 1.119 0.02 . 2 . . . . . . . . . 6405 1 317 . 1 1 33 33 LEU HD11 H 1 0.424 0.02 . 1 . . . . . . . . . 6405 1 318 . 1 1 33 33 LEU HD12 H 1 0.424 0.02 . 1 . . . . . . . . . 6405 1 319 . 1 1 33 33 LEU HD13 H 1 0.424 0.02 . 1 . . . . . . . . . 6405 1 320 . 1 1 33 33 LEU HD21 H 1 0.045 0.02 . 1 . . . . . . . . . 6405 1 321 . 1 1 33 33 LEU HD22 H 1 0.045 0.02 . 1 . . . . . . . . . 6405 1 322 . 1 1 33 33 LEU HD23 H 1 0.045 0.02 . 1 . . . . . . . . . 6405 1 323 . 1 1 33 33 LEU C C 13 177.7 0.05 . 1 . . . . . . . . . 6405 1 324 . 1 1 33 33 LEU CA C 13 59.1 0.05 . 1 . . . . . . . . . 6405 1 325 . 1 1 33 33 LEU CB C 13 40.22 0.05 . 1 . . . . . . . . . 6405 1 326 . 1 1 33 33 LEU CD1 C 13 25.45 0.05 . 1 . . . . . . . . . 6405 1 327 . 1 1 33 33 LEU CD2 C 13 21.79 0.05 . 1 . . . . . . . . . 6405 1 328 . 1 1 33 33 LEU N N 15 117.3 0.05 . 1 . . . . . . . . . 6405 1 329 . 1 1 34 34 VAL H H 1 8.699 0.02 . 1 . . . . . . . . . 6405 1 330 . 1 1 34 34 VAL HA H 1 4.059 0.02 . 1 . . . . . . . . . 6405 1 331 . 1 1 34 34 VAL HB H 1 2.192 0.02 . 1 . . . . . . . . . 6405 1 332 . 1 1 34 34 VAL HG11 H 1 0.895 0.02 . 1 . . . . . . . . . 6405 1 333 . 1 1 34 34 VAL HG12 H 1 0.895 0.02 . 1 . . . . . . . . . 6405 1 334 . 1 1 34 34 VAL HG13 H 1 0.895 0.02 . 1 . . . . . . . . . 6405 1 335 . 1 1 34 34 VAL HG21 H 1 1.01 0.02 . 1 . . . . . . . . . 6405 1 336 . 1 1 34 34 VAL HG22 H 1 1.01 0.02 . 1 . . . . . . . . . 6405 1 337 . 1 1 34 34 VAL HG23 H 1 1.01 0.02 . 1 . . . . . . . . . 6405 1 338 . 1 1 34 34 VAL C C 13 178.7 0.05 . 1 . . . . . . . . . 6405 1 339 . 1 1 34 34 VAL CA C 13 67.67 0.05 . 1 . . . . . . . . . 6405 1 340 . 1 1 34 34 VAL CB C 13 29.08 0.05 . 1 . . . . . . . . . 6405 1 341 . 1 1 34 34 VAL CG1 C 13 21.22 0.05 . 1 . . . . . . . . . 6405 1 342 . 1 1 34 34 VAL CG2 C 13 23.93 0.05 . 1 . . . . . . . . . 6405 1 343 . 1 1 34 34 VAL N N 15 116.222 0.05 . 1 . . . . . . . . . 6405 1 344 . 1 1 35 35 PRO HA H 1 4.338 0.02 . 1 . . . . . . . . . 6405 1 345 . 1 1 35 35 PRO HB2 H 1 2.322 0.02 . 2 . . . . . . . . . 6405 1 346 . 1 1 35 35 PRO HB3 H 1 1.861 0.02 . 2 . . . . . . . . . 6405 1 347 . 1 1 35 35 PRO HG2 H 1 2.029 0.02 . 1 . . . . . . . . . 6405 1 348 . 1 1 35 35 PRO HG3 H 1 2.029 0.02 . 1 . . . . . . . . . 6405 1 349 . 1 1 35 35 PRO HD2 H 1 3.573 0.02 . 1 . . . . . . . . . 6405 1 350 . 1 1 35 35 PRO HD3 H 1 3.573 0.02 . 1 . . . . . . . . . 6405 1 351 . 1 1 35 35 PRO C C 13 177.7 0.05 . 1 . . . . . . . . . 6405 1 352 . 1 1 35 35 PRO CA C 13 65.89 0.05 . 1 . . . . . . . . . 6405 1 353 . 1 1 35 35 PRO CB C 13 31.17 0.05 . 1 . . . . . . . . . 6405 1 354 . 1 1 36 36 ARG H H 1 7.35 0.02 . 1 . . . . . . . . . 6405 1 355 . 1 1 36 36 ARG HA H 1 4.187 0.02 . 1 . . . . . . . . . 6405 1 356 . 1 1 36 36 ARG HB2 H 1 2.825 0.02 . 2 . . . . . . . . . 6405 1 357 . 1 1 36 36 ARG HB3 H 1 1.666 0.02 . 2 . . . . . . . . . 6405 1 358 . 1 1 36 36 ARG HG2 H 1 2.204 0.02 . 1 . . . . . . . . . 6405 1 359 . 1 1 36 36 ARG HG3 H 1 2.204 0.02 . 1 . . . . . . . . . 6405 1 360 . 1 1 36 36 ARG HD2 H 1 3.498 0.02 . 1 . . . . . . . . . 6405 1 361 . 1 1 36 36 ARG HD3 H 1 3.498 0.02 . 1 . . . . . . . . . 6405 1 362 . 1 1 36 36 ARG C C 13 173.9 0.05 . 1 . . . . . . . . . 6405 1 363 . 1 1 36 36 ARG CA C 13 56.62 0.05 . 1 . . . . . . . . . 6405 1 364 . 1 1 36 36 ARG CB C 13 29.58 0.05 . 1 . . . . . . . . . 6405 1 365 . 1 1 36 36 ARG N N 15 112.348 0.05 . 1 . . . . . . . . . 6405 1 366 . 1 1 37 37 LEU H H 1 8.018 0.02 . 1 . . . . . . . . . 6405 1 367 . 1 1 37 37 LEU HA H 1 3.969 0.02 . 1 . . . . . . . . . 6405 1 368 . 1 1 37 37 LEU HB2 H 1 1.884 0.02 . 2 . . . . . . . . . 6405 1 369 . 1 1 37 37 LEU HB3 H 1 1.544 0.02 . 2 . . . . . . . . . 6405 1 370 . 1 1 37 37 LEU HD11 H 1 0.853 0.02 . 1 . . . . . . . . . 6405 1 371 . 1 1 37 37 LEU HD12 H 1 0.853 0.02 . 1 . . . . . . . . . 6405 1 372 . 1 1 37 37 LEU HD13 H 1 0.853 0.02 . 1 . . . . . . . . . 6405 1 373 . 1 1 37 37 LEU HD21 H 1 0.866 0.02 . 1 . . . . . . . . . 6405 1 374 . 1 1 37 37 LEU HD22 H 1 0.866 0.02 . 1 . . . . . . . . . 6405 1 375 . 1 1 37 37 LEU HD23 H 1 0.866 0.02 . 1 . . . . . . . . . 6405 1 376 . 1 1 37 37 LEU C C 13 175.6 0.05 . 1 . . . . . . . . . 6405 1 377 . 1 1 37 37 LEU CA C 13 55.31 0.05 . 1 . . . . . . . . . 6405 1 378 . 1 1 37 37 LEU CB C 13 38.39 0.05 . 1 . . . . . . . . . 6405 1 379 . 1 1 37 37 LEU CD1 C 13 25.86 0.05 . 1 . . . . . . . . . 6405 1 380 . 1 1 37 37 LEU CD2 C 13 23.93 0.05 . 1 . . . . . . . . . 6405 1 381 . 1 1 37 37 LEU N N 15 116.494 0.05 . 1 . . . . . . . . . 6405 1 382 . 1 1 38 38 PHE H H 1 7.991 0.02 . 1 . . . . . . . . . 6405 1 383 . 1 1 38 38 PHE HA H 1 4.757 0.02 . 1 . . . . . . . . . 6405 1 384 . 1 1 38 38 PHE HB2 H 1 2.772 0.02 . 1 . . . . . . . . . 6405 1 385 . 1 1 38 38 PHE HB3 H 1 2.772 0.02 . 1 . . . . . . . . . 6405 1 386 . 1 1 38 38 PHE HD1 H 1 6.884 0.02 . 1 . . . . . . . . . 6405 1 387 . 1 1 38 38 PHE HD2 H 1 6.884 0.02 . 1 . . . . . . . . . 6405 1 388 . 1 1 38 38 PHE HE1 H 1 6.753 0.02 . 1 . . . . . . . . . 6405 1 389 . 1 1 38 38 PHE HE2 H 1 6.753 0.02 . 1 . . . . . . . . . 6405 1 390 . 1 1 38 38 PHE HZ H 1 6.656 0.02 . 1 . . . . . . . . . 6405 1 391 . 1 1 38 38 PHE C C 13 175.7 0.05 . 1 . . . . . . . . . 6405 1 392 . 1 1 38 38 PHE CA C 13 58.99 0.05 . 1 . . . . . . . . . 6405 1 393 . 1 1 38 38 PHE CB C 13 40.71 0.05 . 1 . . . . . . . . . 6405 1 394 . 1 1 38 38 PHE N N 15 116.763 0.05 . 1 . . . . . . . . . 6405 1 395 . 1 1 39 39 ARG H H 1 8.434 0.02 . 1 . . . . . . . . . 6405 1 396 . 1 1 39 39 ARG HA H 1 4.476 0.02 . 1 . . . . . . . . . 6405 1 397 . 1 1 39 39 ARG HB2 H 1 1.7 0.02 . 1 . . . . . . . . . 6405 1 398 . 1 1 39 39 ARG HB3 H 1 1.7 0.02 . 1 . . . . . . . . . 6405 1 399 . 1 1 39 39 ARG HG2 H 1 1.195 0.02 . 1 . . . . . . . . . 6405 1 400 . 1 1 39 39 ARG HG3 H 1 1.195 0.02 . 1 . . . . . . . . . 6405 1 401 . 1 1 39 39 ARG HD2 H 1 3.052 0.02 . 1 . . . . . . . . . 6405 1 402 . 1 1 39 39 ARG HD3 H 1 3.052 0.02 . 1 . . . . . . . . . 6405 1 403 . 1 1 39 39 ARG C C 13 172.7 0.05 . 1 . . . . . . . . . 6405 1 404 . 1 1 39 39 ARG CA C 13 54.6 0.05 . 1 . . . . . . . . . 6405 1 405 . 1 1 39 39 ARG CB C 13 31.91 0.05 . 1 . . . . . . . . . 6405 1 406 . 1 1 39 39 ARG N N 15 125.096 0.05 . 1 . . . . . . . . . 6405 1 407 . 1 1 40 40 VAL H H 1 8.389 0.02 . 1 . . . . . . . . . 6405 1 408 . 1 1 40 40 VAL HA H 1 4.856 0.02 . 1 . . . . . . . . . 6405 1 409 . 1 1 40 40 VAL HB H 1 1.774 0.02 . 1 . . . . . . . . . 6405 1 410 . 1 1 40 40 VAL HG11 H 1 0.662 0.02 . 1 . . . . . . . . . 6405 1 411 . 1 1 40 40 VAL HG12 H 1 0.662 0.02 . 1 . . . . . . . . . 6405 1 412 . 1 1 40 40 VAL HG13 H 1 0.662 0.02 . 1 . . . . . . . . . 6405 1 413 . 1 1 40 40 VAL HG21 H 1 0.622 0.02 . 1 . . . . . . . . . 6405 1 414 . 1 1 40 40 VAL HG22 H 1 0.622 0.02 . 1 . . . . . . . . . 6405 1 415 . 1 1 40 40 VAL HG23 H 1 0.622 0.02 . 1 . . . . . . . . . 6405 1 416 . 1 1 40 40 VAL C C 13 175.2 0.05 . 1 . . . . . . . . . 6405 1 417 . 1 1 40 40 VAL CA C 13 59.5 0.05 . 1 . . . . . . . . . 6405 1 418 . 1 1 40 40 VAL CB C 13 34.19 0.05 . 1 . . . . . . . . . 6405 1 419 . 1 1 40 40 VAL CG1 C 13 22.81 0.05 . 1 . . . . . . . . . 6405 1 420 . 1 1 40 40 VAL CG2 C 13 21.31 0.05 . 1 . . . . . . . . . 6405 1 421 . 1 1 40 40 VAL N N 15 115.667 0.05 . 1 . . . . . . . . . 6405 1 422 . 1 1 41 41 ALA H H 1 9.025 0.02 . 1 . . . . . . . . . 6405 1 423 . 1 1 41 41 ALA HA H 1 4.621 0.02 . 1 . . . . . . . . . 6405 1 424 . 1 1 41 41 ALA HB1 H 1 1.288 0.02 . 1 . . . . . . . . . 6405 1 425 . 1 1 41 41 ALA HB2 H 1 1.288 0.02 . 1 . . . . . . . . . 6405 1 426 . 1 1 41 41 ALA HB3 H 1 1.288 0.02 . 1 . . . . . . . . . 6405 1 427 . 1 1 41 41 ALA C C 13 176.2 0.05 . 1 . . . . . . . . . 6405 1 428 . 1 1 41 41 ALA CA C 13 51.36 0.05 . 1 . . . . . . . . . 6405 1 429 . 1 1 41 41 ALA CB C 13 21.94 0.05 . 1 . . . . . . . . . 6405 1 430 . 1 1 41 41 ALA N N 15 128.055 0.05 . 1 . . . . . . . . . 6405 1 431 . 1 1 42 42 SER H H 1 8.49 0.02 . 1 . . . . . . . . . 6405 1 432 . 1 1 42 42 SER HA H 1 4.747 0.02 . 1 . . . . . . . . . 6405 1 433 . 1 1 42 42 SER HB2 H 1 3.813 0.02 . 2 . . . . . . . . . 6405 1 434 . 1 1 42 42 SER HB3 H 1 3.649 0.02 . 2 . . . . . . . . . 6405 1 435 . 1 1 42 42 SER CA C 13 57.13 0.05 . 1 . . . . . . . . . 6405 1 436 . 1 1 42 42 SER CB C 13 64.64 0.05 . 1 . . . . . . . . . 6405 1 437 . 1 1 42 42 SER N N 15 115.792 0.05 . 1 . . . . . . . . . 6405 1 438 . 1 1 43 43 LYS HA H 1 4.209 0.02 . 1 . . . . . . . . . 6405 1 439 . 1 1 43 43 LYS HB2 H 1 1.804 0.02 . 2 . . . . . . . . . 6405 1 440 . 1 1 43 43 LYS HB3 H 1 1.574 0.02 . 2 . . . . . . . . . 6405 1 441 . 1 1 43 43 LYS CA C 13 57.53 0.05 . 1 . . . . . . . . . 6405 1 442 . 1 1 43 43 LYS CB C 13 32.46 0.05 . 1 . . . . . . . . . 6405 1 443 . 1 1 44 44 ASP H H 1 8.393 0.02 . 1 . . . . . . . . . 6405 1 444 . 1 1 44 44 ASP HA H 1 4.606 0.02 . 1 . . . . . . . . . 6405 1 445 . 1 1 44 44 ASP HB2 H 1 2.642 0.02 . 2 . . . . . . . . . 6405 1 446 . 1 1 44 44 ASP HB3 H 1 2.593 0.02 . 2 . . . . . . . . . 6405 1 447 . 1 1 44 44 ASP C C 13 176 0.05 . 1 . . . . . . . . . 6405 1 448 . 1 1 44 44 ASP CA C 13 55.05 0.05 . 1 . . . . . . . . . 6405 1 449 . 1 1 44 44 ASP CB C 13 41.47 0.05 . 1 . . . . . . . . . 6405 1 450 . 1 1 44 44 ASP N N 15 118.279 0.05 . 1 . . . . . . . . . 6405 1 451 . 1 1 45 45 ARG H H 1 8.138 0.02 . 1 . . . . . . . . . 6405 1 452 . 1 1 45 45 ARG C C 13 55.51 0.05 . 1 . . . . . . . . . 6405 1 453 . 1 1 45 45 ARG CA C 13 30.08 0.05 . 1 . . . . . . . . . 6405 1 454 . 1 1 45 45 ARG N N 15 118.363 0.05 . 1 . . . . . . . . . 6405 1 455 . 1 1 46 46 GLY HA2 H 1 3.875 0.02 . 1 . . . . . . . . . 6405 1 456 . 1 1 46 46 GLY HA3 H 1 3.875 0.02 . 1 . . . . . . . . . 6405 1 457 . 1 1 46 46 GLY C C 13 174 0.05 . 1 . . . . . . . . . 6405 1 458 . 1 1 46 46 GLY CA C 13 45.81 0.05 . 1 . . . . . . . . . 6405 1 459 . 1 1 47 47 ASP H H 1 8.449 0.02 . 1 . . . . . . . . . 6405 1 460 . 1 1 47 47 ASP HA H 1 4.619 0.02 . 1 . . . . . . . . . 6405 1 461 . 1 1 47 47 ASP HB2 H 1 2.614 0.02 . 1 . . . . . . . . . 6405 1 462 . 1 1 47 47 ASP HB3 H 1 2.614 0.02 . 1 . . . . . . . . . 6405 1 463 . 1 1 47 47 ASP C C 13 176.5 0.05 . 1 . . . . . . . . . 6405 1 464 . 1 1 47 47 ASP CA C 13 53.95 0.05 . 1 . . . . . . . . . 6405 1 465 . 1 1 47 47 ASP CB C 13 39.68 0.05 . 1 . . . . . . . . . 6405 1 466 . 1 1 47 47 ASP N N 15 118.617 0.05 . 1 . . . . . . . . . 6405 1 467 . 1 1 48 48 LEU H H 1 7.679 0.02 . 1 . . . . . . . . . 6405 1 468 . 1 1 48 48 LEU HA H 1 3.92 0.02 . 1 . . . . . . . . . 6405 1 469 . 1 1 48 48 LEU HB2 H 1 1.624 0.02 . 2 . . . . . . . . . 6405 1 470 . 1 1 48 48 LEU HB3 H 1 1.264 0.02 . 2 . . . . . . . . . 6405 1 471 . 1 1 48 48 LEU HD11 H 1 0.863 0.02 . 1 . . . . . . . . . 6405 1 472 . 1 1 48 48 LEU HD12 H 1 0.863 0.02 . 1 . . . . . . . . . 6405 1 473 . 1 1 48 48 LEU HD13 H 1 0.863 0.02 . 1 . . . . . . . . . 6405 1 474 . 1 1 48 48 LEU HD21 H 1 0.734 0.02 . 1 . . . . . . . . . 6405 1 475 . 1 1 48 48 LEU HD22 H 1 0.734 0.02 . 1 . . . . . . . . . 6405 1 476 . 1 1 48 48 LEU HD23 H 1 0.734 0.02 . 1 . . . . . . . . . 6405 1 477 . 1 1 48 48 LEU C C 13 176.7 0.05 . 1 . . . . . . . . . 6405 1 478 . 1 1 48 48 LEU CA C 13 57.57 0.05 . 1 . . . . . . . . . 6405 1 479 . 1 1 48 48 LEU CB C 13 42.21 0.05 . 1 . . . . . . . . . 6405 1 480 . 1 1 48 48 LEU CD1 C 13 27.16 0.05 . 1 . . . . . . . . . 6405 1 481 . 1 1 48 48 LEU CD2 C 13 22.88 0.05 . 1 . . . . . . . . . 6405 1 482 . 1 1 48 48 LEU N N 15 119.153 0.05 . 1 . . . . . . . . . 6405 1 483 . 1 1 49 49 LEU H H 1 7.705 0.02 . 1 . . . . . . . . . 6405 1 484 . 1 1 49 49 LEU HA H 1 4.747 0.02 . 1 . . . . . . . . . 6405 1 485 . 1 1 49 49 LEU HB2 H 1 1.396 0.02 . 2 . . . . . . . . . 6405 1 486 . 1 1 49 49 LEU HB3 H 1 1.04 0.02 . 2 . . . . . . . . . 6405 1 487 . 1 1 49 49 LEU HD11 H 1 0.693 0.02 . 1 . . . . . . . . . 6405 1 488 . 1 1 49 49 LEU HD12 H 1 0.693 0.02 . 1 . . . . . . . . . 6405 1 489 . 1 1 49 49 LEU HD13 H 1 0.693 0.02 . 1 . . . . . . . . . 6405 1 490 . 1 1 49 49 LEU HD21 H 1 0.645 0.02 . 1 . . . . . . . . . 6405 1 491 . 1 1 49 49 LEU HD22 H 1 0.645 0.02 . 1 . . . . . . . . . 6405 1 492 . 1 1 49 49 LEU HD23 H 1 0.645 0.02 . 1 . . . . . . . . . 6405 1 493 . 1 1 49 49 LEU C C 13 174.2 0.05 . 1 . . . . . . . . . 6405 1 494 . 1 1 49 49 LEU CA C 13 52.54 0.05 . 1 . . . . . . . . . 6405 1 495 . 1 1 49 49 LEU CB C 13 45.36 0.05 . 1 . . . . . . . . . 6405 1 496 . 1 1 49 49 LEU CD1 C 13 27.85 0.05 . 1 . . . . . . . . . 6405 1 497 . 1 1 49 49 LEU CD2 C 13 25.86 0.05 . 1 . . . . . . . . . 6405 1 498 . 1 1 49 49 LEU N N 15 116.159 0.05 . 1 . . . . . . . . . 6405 1 499 . 1 1 50 50 GLU H H 1 7.974 0.02 . 1 . . . . . . . . . 6405 1 500 . 1 1 50 50 GLU HA H 1 4.411 0.02 . 1 . . . . . . . . . 6405 1 501 . 1 1 50 50 GLU HB2 H 1 1.206 0.02 . 2 . . . . . . . . . 6405 1 502 . 1 1 50 50 GLU HB3 H 1 0.8773 0.02 . 2 . . . . . . . . . 6405 1 503 . 1 1 50 50 GLU HG2 H 1 2.217 0.02 . 1 . . . . . . . . . 6405 1 504 . 1 1 50 50 GLU HG3 H 1 2.038 0.02 . 1 . . . . . . . . . 6405 1 505 . 1 1 50 50 GLU C C 13 172.3 0.05 . 1 . . . . . . . . . 6405 1 506 . 1 1 50 50 GLU CA C 13 53.46 0.05 . 1 . . . . . . . . . 6405 1 507 . 1 1 50 50 GLU CB C 13 34.64 0.05 . 1 . . . . . . . . . 6405 1 508 . 1 1 50 50 GLU N N 15 120.777 0.05 . 1 . . . . . . . . . 6405 1 509 . 1 1 51 51 VAL H H 1 9.17 0.02 . 1 . . . . . . . . . 6405 1 510 . 1 1 51 51 VAL HA H 1 5.12 0.02 . 1 . . . . . . . . . 6405 1 511 . 1 1 51 51 VAL HB H 1 1.763 0.02 . 1 . . . . . . . . . 6405 1 512 . 1 1 51 51 VAL HG11 H 1 0.563 0.02 . 1 . . . . . . . . . 6405 1 513 . 1 1 51 51 VAL HG12 H 1 0.563 0.02 . 1 . . . . . . . . . 6405 1 514 . 1 1 51 51 VAL HG13 H 1 0.563 0.02 . 1 . . . . . . . . . 6405 1 515 . 1 1 51 51 VAL HG21 H 1 0.703 0.02 . 1 . . . . . . . . . 6405 1 516 . 1 1 51 51 VAL HG22 H 1 0.703 0.02 . 1 . . . . . . . . . 6405 1 517 . 1 1 51 51 VAL HG23 H 1 0.703 0.02 . 1 . . . . . . . . . 6405 1 518 . 1 1 51 51 VAL C C 13 175.1 0.05 . 1 . . . . . . . . . 6405 1 519 . 1 1 51 51 VAL CA C 13 59.18 0.05 . 1 . . . . . . . . . 6405 1 520 . 1 1 51 51 VAL CB C 13 34.6 0.05 . 1 . . . . . . . . . 6405 1 521 . 1 1 51 51 VAL CG1 C 13 21.32 0.05 . 1 . . . . . . . . . 6405 1 522 . 1 1 51 51 VAL CG2 C 13 22.05 0.05 . 1 . . . . . . . . . 6405 1 523 . 1 1 51 51 VAL N N 15 119.362 0.05 . 1 . . . . . . . . . 6405 1 524 . 1 1 52 52 ASN H H 1 8.841 0.02 . 1 . . . . . . . . . 6405 1 525 . 1 1 52 52 ASN HA H 1 4.945 0.02 . 1 . . . . . . . . . 6405 1 526 . 1 1 52 52 ASN HB2 H 1 3.798 0.02 . 2 . . . . . . . . . 6405 1 527 . 1 1 52 52 ASN HB3 H 1 2.625 0.02 . 2 . . . . . . . . . 6405 1 528 . 1 1 52 52 ASN C C 13 176.2 0.05 . 1 . . . . . . . . . 6405 1 529 . 1 1 52 52 ASN CA C 13 51.96 0.05 . 1 . . . . . . . . . 6405 1 530 . 1 1 52 52 ASN CB C 13 38.84 0.05 . 1 . . . . . . . . . 6405 1 531 . 1 1 52 52 ASN N N 15 125.275 0.05 . 1 . . . . . . . . . 6405 1 532 . 1 1 53 53 LEU H H 1 9.017 0.02 . 1 . . . . . . . . . 6405 1 533 . 1 1 53 53 LEU HA H 1 3.832 0.02 . 1 . . . . . . . . . 6405 1 534 . 1 1 53 53 LEU HB2 H 1 1.702 0.02 . 2 . . . . . . . . . 6405 1 535 . 1 1 53 53 LEU HB3 H 1 1.475 0.02 . 2 . . . . . . . . . 6405 1 536 . 1 1 53 53 LEU HD11 H 1 0.965 0.02 . 1 . . . . . . . . . 6405 1 537 . 1 1 53 53 LEU HD12 H 1 0.965 0.02 . 1 . . . . . . . . . 6405 1 538 . 1 1 53 53 LEU HD13 H 1 0.965 0.02 . 1 . . . . . . . . . 6405 1 539 . 1 1 53 53 LEU HD21 H 1 0.789 0.02 . 1 . . . . . . . . . 6405 1 540 . 1 1 53 53 LEU HD22 H 1 0.789 0.02 . 1 . . . . . . . . . 6405 1 541 . 1 1 53 53 LEU HD23 H 1 0.789 0.02 . 1 . . . . . . . . . 6405 1 542 . 1 1 53 53 LEU C C 13 176.8 0.05 . 1 . . . . . . . . . 6405 1 543 . 1 1 53 53 LEU CA C 13 56.76 0.05 . 1 . . . . . . . . . 6405 1 544 . 1 1 53 53 LEU CB C 13 41.39 0.05 . 1 . . . . . . . . . 6405 1 545 . 1 1 53 53 LEU CD1 C 13 25.94 0.05 . 1 . . . . . . . . . 6405 1 546 . 1 1 53 53 LEU CD2 C 13 24.33 0.05 . 1 . . . . . . . . . 6405 1 547 . 1 1 53 53 LEU N N 15 126.604 0.05 . 1 . . . . . . . . . 6405 1 548 . 1 1 54 54 GLN H H 1 8.381 0.02 . 1 . . . . . . . . . 6405 1 549 . 1 1 54 54 GLN HA H 1 4.073 0.02 . 1 . . . . . . . . . 6405 1 550 . 1 1 54 54 GLN HB2 H 1 2.096 0.02 . 2 . . . . . . . . . 6405 1 551 . 1 1 54 54 GLN HB3 H 1 2.008 0.02 . 2 . . . . . . . . . 6405 1 552 . 1 1 54 54 GLN HG2 H 1 2.323 0.02 . 1 . . . . . . . . . 6405 1 553 . 1 1 54 54 GLN HG3 H 1 2.323 0.02 . 1 . . . . . . . . . 6405 1 554 . 1 1 54 54 GLN C C 13 177.3 0.05 . 1 . . . . . . . . . 6405 1 555 . 1 1 54 54 GLN CA C 13 57.93 0.05 . 1 . . . . . . . . . 6405 1 556 . 1 1 54 54 GLN CB C 13 28.61 0.05 . 1 . . . . . . . . . 6405 1 557 . 1 1 54 54 GLN N N 15 115.243 0.05 . 1 . . . . . . . . . 6405 1 558 . 1 1 55 55 ASN H H 1 7.216 0.02 . 1 . . . . . . . . . 6405 1 559 . 1 1 55 55 ASN HA H 1 4.673 0.02 . 1 . . . . . . . . . 6405 1 560 . 1 1 55 55 ASN HB2 H 1 2.949 0.02 . 2 . . . . . . . . . 6405 1 561 . 1 1 55 55 ASN HB3 H 1 2.595 0.02 . 2 . . . . . . . . . 6405 1 562 . 1 1 55 55 ASN C C 13 176.4 0.05 . 1 . . . . . . . . . 6405 1 563 . 1 1 55 55 ASN CA C 13 51.83 0.05 . 1 . . . . . . . . . 6405 1 564 . 1 1 55 55 ASN CB C 13 39.32 0.05 . 1 . . . . . . . . . 6405 1 565 . 1 1 55 55 ASN N N 15 111.471 0.05 . 1 . . . . . . . . . 6405 1 566 . 1 1 56 56 GLY H H 1 8.411 0.02 . 1 . . . . . . . . . 6405 1 567 . 1 1 56 56 GLY HA2 H 1 3.757 0.02 . 2 . . . . . . . . . 6405 1 568 . 1 1 56 56 GLY HA3 H 1 3.081 0.02 . 2 . . . . . . . . . 6405 1 569 . 1 1 56 56 GLY C C 13 174 0.05 . 1 . . . . . . . . . 6405 1 570 . 1 1 56 56 GLY CA C 13 46.89 0.05 . 1 . . . . . . . . . 6405 1 571 . 1 1 56 56 GLY N N 15 108.602 0.05 . 1 . . . . . . . . . 6405 1 572 . 1 1 57 57 ILE H H 1 7.765 0.02 . 1 . . . . . . . . . 6405 1 573 . 1 1 57 57 ILE HA H 1 4.492 0.02 . 1 . . . . . . . . . 6405 1 574 . 1 1 57 57 ILE HB H 1 1.947 0.02 . 1 . . . . . . . . . 6405 1 575 . 1 1 57 57 ILE HG12 H 1 1.477 0.02 . 1 . . . . . . . . . 6405 1 576 . 1 1 57 57 ILE HG13 H 1 1.038 0.02 . 1 . . . . . . . . . 6405 1 577 . 1 1 57 57 ILE HG21 H 1 0.776 0.02 . 1 . . . . . . . . . 6405 1 578 . 1 1 57 57 ILE HG22 H 1 0.776 0.02 . 1 . . . . . . . . . 6405 1 579 . 1 1 57 57 ILE HG23 H 1 0.776 0.02 . 1 . . . . . . . . . 6405 1 580 . 1 1 57 57 ILE HD11 H 1 0.857 0.02 . 1 . . . . . . . . . 6405 1 581 . 1 1 57 57 ILE HD12 H 1 0.857 0.02 . 1 . . . . . . . . . 6405 1 582 . 1 1 57 57 ILE HD13 H 1 0.857 0.02 . 1 . . . . . . . . . 6405 1 583 . 1 1 57 57 ILE C C 13 174.8 0.05 . 1 . . . . . . . . . 6405 1 584 . 1 1 57 57 ILE CA C 13 61.28 0.05 . 1 . . . . . . . . . 6405 1 585 . 1 1 57 57 ILE CB C 13 39.64 0.05 . 1 . . . . . . . . . 6405 1 586 . 1 1 57 57 ILE CG2 C 13 18.48 0.05 . 1 . . . . . . . . . 6405 1 587 . 1 1 57 57 ILE CD1 C 13 13.49 0.05 . 1 . . . . . . . . . 6405 1 588 . 1 1 57 57 ILE N N 15 118.809 0.05 . 1 . . . . . . . . . 6405 1 589 . 1 1 58 58 LEU H H 1 8.657 0.02 . 1 . . . . . . . . . 6405 1 590 . 1 1 58 58 LEU HA H 1 4.884 0.02 . 1 . . . . . . . . . 6405 1 591 . 1 1 58 58 LEU HB2 H 1 1.559 0.02 . 2 . . . . . . . . . 6405 1 592 . 1 1 58 58 LEU HB3 H 1 0.945 0.02 . 2 . . . . . . . . . 6405 1 593 . 1 1 58 58 LEU HD11 H 1 0.531 0.02 . 1 . . . . . . . . . 6405 1 594 . 1 1 58 58 LEU HD12 H 1 0.531 0.02 . 1 . . . . . . . . . 6405 1 595 . 1 1 58 58 LEU HD13 H 1 0.531 0.02 . 1 . . . . . . . . . 6405 1 596 . 1 1 58 58 LEU HD21 H 1 0.483 0.02 . 1 . . . . . . . . . 6405 1 597 . 1 1 58 58 LEU HD22 H 1 0.483 0.02 . 1 . . . . . . . . . 6405 1 598 . 1 1 58 58 LEU HD23 H 1 0.483 0.02 . 1 . . . . . . . . . 6405 1 599 . 1 1 58 58 LEU C C 13 174.1 0.05 . 1 . . . . . . . . . 6405 1 600 . 1 1 58 58 LEU CA C 13 53.12 0.05 . 1 . . . . . . . . . 6405 1 601 . 1 1 58 58 LEU CB C 13 44.49 0.05 . 1 . . . . . . . . . 6405 1 602 . 1 1 58 58 LEU CD1 C 13 24.57 0.05 . 1 . . . . . . . . . 6405 1 603 . 1 1 58 58 LEU CD2 C 13 27.25 0.05 . 1 . . . . . . . . . 6405 1 604 . 1 1 58 58 LEU N N 15 127.405 0.05 . 1 . . . . . . . . . 6405 1 605 . 1 1 59 59 PHE H H 1 9.347 0.02 . 1 . . . . . . . . . 6405 1 606 . 1 1 59 59 PHE HA H 1 5.415 0.02 . 1 . . . . . . . . . 6405 1 607 . 1 1 59 59 PHE HB2 H 1 2.61 0.02 . 1 . . . . . . . . . 6405 1 608 . 1 1 59 59 PHE HB3 H 1 2.61 0.02 . 1 . . . . . . . . . 6405 1 609 . 1 1 59 59 PHE HD1 H 1 6.965 0.02 . 1 . . . . . . . . . 6405 1 610 . 1 1 59 59 PHE HD2 H 1 6.965 0.02 . 1 . . . . . . . . . 6405 1 611 . 1 1 59 59 PHE HE1 H 1 7.056 0.02 . 1 . . . . . . . . . 6405 1 612 . 1 1 59 59 PHE HE2 H 1 7.056 0.02 . 1 . . . . . . . . . 6405 1 613 . 1 1 59 59 PHE HZ H 1 7.173 0.02 . 1 . . . . . . . . . 6405 1 614 . 1 1 59 59 PHE C C 13 173.4 0.05 . 1 . . . . . . . . . 6405 1 615 . 1 1 59 59 PHE CA C 13 55.38 0.05 . 1 . . . . . . . . . 6405 1 616 . 1 1 59 59 PHE CB C 13 43.74 0.05 . 1 . . . . . . . . . 6405 1 617 . 1 1 59 59 PHE N N 15 125.313 0.05 . 1 . . . . . . . . . 6405 1 618 . 1 1 60 60 VAL H H 1 8.427 0.02 . 1 . . . . . . . . . 6405 1 619 . 1 1 60 60 VAL HA H 1 3.659 0.02 . 1 . . . . . . . . . 6405 1 620 . 1 1 60 60 VAL HB H 1 1.952 0.02 . 1 . . . . . . . . . 6405 1 621 . 1 1 60 60 VAL HG11 H 1 0.935 0.02 . 1 . . . . . . . . . 6405 1 622 . 1 1 60 60 VAL HG12 H 1 0.935 0.02 . 1 . . . . . . . . . 6405 1 623 . 1 1 60 60 VAL HG13 H 1 0.935 0.02 . 1 . . . . . . . . . 6405 1 624 . 1 1 60 60 VAL HG21 H 1 0.724 0.02 . 1 . . . . . . . . . 6405 1 625 . 1 1 60 60 VAL HG22 H 1 0.724 0.02 . 1 . . . . . . . . . 6405 1 626 . 1 1 60 60 VAL HG23 H 1 0.724 0.02 . 1 . . . . . . . . . 6405 1 627 . 1 1 60 60 VAL C C 13 174.7 0.05 . 1 . . . . . . . . . 6405 1 628 . 1 1 60 60 VAL CA C 13 64.46 0.05 . 1 . . . . . . . . . 6405 1 629 . 1 1 60 60 VAL CB C 13 32.73 0.05 . 1 . . . . . . . . . 6405 1 630 . 1 1 60 60 VAL CG1 C 13 22.68 0.05 . 1 . . . . . . . . . 6405 1 631 . 1 1 60 60 VAL CG2 C 13 22.88 0.05 . 1 . . . . . . . . . 6405 1 632 . 1 1 60 60 VAL N N 15 119.673 0.05 . 1 . . . . . . . . . 6405 1 633 . 1 1 61 61 ASN H H 1 9.013 0.02 . 1 . . . . . . . . . 6405 1 634 . 1 1 61 61 ASN HA H 1 5.082 0.02 . 1 . . . . . . . . . 6405 1 635 . 1 1 61 61 ASN HB2 H 1 2.482 0.02 . 2 . . . . . . . . . 6405 1 636 . 1 1 61 61 ASN HB3 H 1 1.778 0.02 . 2 . . . . . . . . . 6405 1 637 . 1 1 61 61 ASN C C 13 174 0.05 . 1 . . . . . . . . . 6405 1 638 . 1 1 61 61 ASN CA C 13 52.67 0.05 . 1 . . . . . . . . . 6405 1 639 . 1 1 61 61 ASN CB C 13 41.96 0.05 . 1 . . . . . . . . . 6405 1 640 . 1 1 61 61 ASN N N 15 128.862 0.05 . 1 . . . . . . . . . 6405 1 641 . 1 1 62 62 SER H H 1 7.582 0.02 . 1 . . . . . . . . . 6405 1 642 . 1 1 62 62 SER HA H 1 4.507 0.02 . 1 . . . . . . . . . 6405 1 643 . 1 1 62 62 SER HB2 H 1 3.708 0.02 . 2 . . . . . . . . . 6405 1 644 . 1 1 62 62 SER HB3 H 1 3.59 0.02 . 2 . . . . . . . . . 6405 1 645 . 1 1 62 62 SER C C 13 171.8 0.05 . 1 . . . . . . . . . 6405 1 646 . 1 1 62 62 SER CA C 13 56.66 0.05 . 1 . . . . . . . . . 6405 1 647 . 1 1 62 62 SER CB C 13 64.98 0.05 . 1 . . . . . . . . . 6405 1 648 . 1 1 62 62 SER N N 15 113.115 0.05 . 1 . . . . . . . . . 6405 1 649 . 1 1 63 63 ARG H H 1 7.91 0.02 . 1 . . . . . . . . . 6405 1 650 . 1 1 63 63 ARG HA H 1 4.185 0.02 . 1 . . . . . . . . . 6405 1 651 . 1 1 63 63 ARG HB2 H 1 1.768 0.02 . 2 . . . . . . . . . 6405 1 652 . 1 1 63 63 ARG HB3 H 1 1.657 0.02 . 2 . . . . . . . . . 6405 1 653 . 1 1 63 63 ARG HG2 H 1 1.138 0.02 . 1 . . . . . . . . . 6405 1 654 . 1 1 63 63 ARG HG3 H 1 1.138 0.02 . 1 . . . . . . . . . 6405 1 655 . 1 1 63 63 ARG HD2 H 1 3.082 0.02 . 1 . . . . . . . . . 6405 1 656 . 1 1 63 63 ARG HD3 H 1 3.082 0.02 . 1 . . . . . . . . . 6405 1 657 . 1 1 63 63 ARG C C 13 176.1 0.05 . 1 . . . . . . . . . 6405 1 658 . 1 1 63 63 ARG CA C 13 57.63 0.05 . 1 . . . . . . . . . 6405 1 659 . 1 1 63 63 ARG CB C 13 30.1 0.05 . 1 . . . . . . . . . 6405 1 660 . 1 1 63 63 ARG N N 15 119.51 0.05 . 1 . . . . . . . . . 6405 1 661 . 1 1 64 64 ILE H H 1 8.985 0.02 . 1 . . . . . . . . . 6405 1 662 . 1 1 64 64 ILE HA H 1 3.899 0.02 . 1 . . . . . . . . . 6405 1 663 . 1 1 64 64 ILE HB H 1 1.953 0.02 . 1 . . . . . . . . . 6405 1 664 . 1 1 64 64 ILE HG21 H 1 0.858 0.02 . 1 . . . . . . . . . 6405 1 665 . 1 1 64 64 ILE HG22 H 1 0.858 0.02 . 1 . . . . . . . . . 6405 1 666 . 1 1 64 64 ILE HG23 H 1 0.858 0.02 . 1 . . . . . . . . . 6405 1 667 . 1 1 64 64 ILE HD11 H 1 0.683 0.02 . 1 . . . . . . . . . 6405 1 668 . 1 1 64 64 ILE HD12 H 1 0.683 0.02 . 1 . . . . . . . . . 6405 1 669 . 1 1 64 64 ILE HD13 H 1 0.683 0.02 . 1 . . . . . . . . . 6405 1 670 . 1 1 64 64 ILE C C 13 173.5 0.05 . 1 . . . . . . . . . 6405 1 671 . 1 1 64 64 ILE CA C 13 60.28 0.05 . 1 . . . . . . . . . 6405 1 672 . 1 1 64 64 ILE CB C 13 37.96 0.05 . 1 . . . . . . . . . 6405 1 673 . 1 1 64 64 ILE N N 15 130.667 0.05 . 1 . . . . . . . . . 6405 1 674 . 1 1 65 65 ASP HA H 1 5.077 0.02 . 1 . . . . . . . . . 6405 1 675 . 1 1 65 65 ASP HB2 H 1 2.823 0.02 . 2 . . . . . . . . . 6405 1 676 . 1 1 65 65 ASP HB3 H 1 2.522 0.02 . 2 . . . . . . . . . 6405 1 677 . 1 1 65 65 ASP CA C 13 51.48 0.05 . 1 . . . . . . . . . 6405 1 678 . 1 1 65 65 ASP CB C 13 41.15 0.05 . 1 . . . . . . . . . 6405 1 679 . 1 1 66 66 ARG H H 1 8.812 0.02 . 1 . . . . . . . . . 6405 1 680 . 1 1 66 66 ARG CA C 13 59.92 0.05 . 1 . . . . . . . . . 6405 1 681 . 1 1 66 66 ARG CB C 13 31.75 0.05 . 1 . . . . . . . . . 6405 1 682 . 1 1 66 66 ARG N N 15 126.988 0.05 . 1 . . . . . . . . . 6405 1 683 . 1 1 68 68 GLU HA H 1 4.018 0.02 . 1 . . . . . . . . . 6405 1 684 . 1 1 68 68 GLU HB2 H 1 2.267 0.02 . 2 . . . . . . . . . 6405 1 685 . 1 1 68 68 GLU HB3 H 1 2.076 0.02 . 2 . . . . . . . . . 6405 1 686 . 1 1 68 68 GLU C C 13 178 0.05 . 1 . . . . . . . . . 6405 1 687 . 1 1 68 68 GLU CA C 13 58.51 0.05 . 1 . . . . . . . . . 6405 1 688 . 1 1 68 68 GLU CB C 13 29.92 0.05 . 1 . . . . . . . . . 6405 1 689 . 1 1 69 69 LEU H H 1 7.749 0.02 . 1 . . . . . . . . . 6405 1 690 . 1 1 69 69 LEU HA H 1 4.065 0.02 . 1 . . . . . . . . . 6405 1 691 . 1 1 69 69 LEU HB2 H 1 1.602 0.02 . 2 . . . . . . . . . 6405 1 692 . 1 1 69 69 LEU HB3 H 1 1.555 0.02 . 2 . . . . . . . . . 6405 1 693 . 1 1 69 69 LEU HG H 1 1.817 0.02 . 1 . . . . . . . . . 6405 1 694 . 1 1 69 69 LEU HD11 H 1 0.712 0.02 . 1 . . . . . . . . . 6405 1 695 . 1 1 69 69 LEU HD12 H 1 0.712 0.02 . 1 . . . . . . . . . 6405 1 696 . 1 1 69 69 LEU HD13 H 1 0.712 0.02 . 1 . . . . . . . . . 6405 1 697 . 1 1 69 69 LEU HD21 H 1 0.77 0.02 . 1 . . . . . . . . . 6405 1 698 . 1 1 69 69 LEU HD22 H 1 0.77 0.02 . 1 . . . . . . . . . 6405 1 699 . 1 1 69 69 LEU HD23 H 1 0.77 0.02 . 1 . . . . . . . . . 6405 1 700 . 1 1 69 69 LEU C C 13 180.3 0.05 . 1 . . . . . . . . . 6405 1 701 . 1 1 69 69 LEU CA C 13 57.86 0.05 . 1 . . . . . . . . . 6405 1 702 . 1 1 69 69 LEU CB C 13 43.93 0.05 . 1 . . . . . . . . . 6405 1 703 . 1 1 69 69 LEU CD1 C 13 26.42 0.05 . 1 . . . . . . . . . 6405 1 704 . 1 1 69 69 LEU CD2 C 13 23.53 0.05 . 1 . . . . . . . . . 6405 1 705 . 1 1 69 69 LEU N N 15 116.56 0.05 . 1 . . . . . . . . . 6405 1 706 . 1 1 70 70 CYS H H 1 8.591 0.02 . 1 . . . . . . . . . 6405 1 707 . 1 1 70 70 CYS HA H 1 4.598 0.02 . 1 . . . . . . . . . 6405 1 708 . 1 1 70 70 CYS HB2 H 1 4.072 0.02 . 2 . . . . . . . . . 6405 1 709 . 1 1 70 70 CYS HB3 H 1 2.639 0.02 . 2 . . . . . . . . . 6405 1 710 . 1 1 70 70 CYS C C 13 174.7 0.05 . 1 . . . . . . . . . 6405 1 711 . 1 1 70 70 CYS CA C 13 54.59 0.05 . 1 . . . . . . . . . 6405 1 712 . 1 1 70 70 CYS CB C 13 48.84 0.05 . 1 . . . . . . . . . 6405 1 713 . 1 1 70 70 CYS N N 15 112.266 0.05 . 1 . . . . . . . . . 6405 1 714 . 1 1 71 71 GLY H H 1 7.933 0.02 . 1 . . . . . . . . . 6405 1 715 . 1 1 71 71 GLY HA2 H 1 3.957 0.02 . 2 . . . . . . . . . 6405 1 716 . 1 1 71 71 GLY HA3 H 1 3.864 0.02 . 2 . . . . . . . . . 6405 1 717 . 1 1 71 71 GLY CA C 13 47.24 0.05 . 1 . . . . . . . . . 6405 1 718 . 1 1 71 71 GLY N N 15 113.21 0.05 . 1 . . . . . . . . . 6405 1 719 . 1 1 72 72 ARG HA H 1 4.447 0.02 . 1 . . . . . . . . . 6405 1 720 . 1 1 72 72 ARG HB2 H 1 2.049 0.02 . 2 . . . . . . . . . 6405 1 721 . 1 1 72 72 ARG HB3 H 1 1.564 0.02 . 2 . . . . . . . . . 6405 1 722 . 1 1 72 72 ARG HD2 H 1 3.113 0.02 . 1 . . . . . . . . . 6405 1 723 . 1 1 72 72 ARG HD3 H 1 3.113 0.02 . 1 . . . . . . . . . 6405 1 724 . 1 1 72 72 ARG C C 13 176.5 0.05 . 1 . . . . . . . . . 6405 1 725 . 1 1 72 72 ARG CA C 13 54.08 0.05 . 1 . . . . . . . . . 6405 1 726 . 1 1 72 72 ARG CB C 13 28.86 0.05 . 1 . . . . . . . . . 6405 1 727 . 1 1 73 73 SER H H 1 7.749 0.02 . 1 . . . . . . . . . 6405 1 728 . 1 1 73 73 SER HA H 1 4.29 0.02 . 1 . . . . . . . . . 6405 1 729 . 1 1 73 73 SER HB2 H 1 4.015 0.02 . 1 . . . . . . . . . 6405 1 730 . 1 1 73 73 SER HB3 H 1 4.015 0.02 . 1 . . . . . . . . . 6405 1 731 . 1 1 73 73 SER CA C 13 59.22 0.05 . 1 . . . . . . . . . 6405 1 732 . 1 1 73 73 SER CB C 13 64.19 0.05 . 1 . . . . . . . . . 6405 1 733 . 1 1 73 73 SER N N 15 115.733 0.05 . 1 . . . . . . . . . 6405 1 734 . 1 1 74 74 ALA HA H 1 4.078 0.02 . 1 . . . . . . . . . 6405 1 735 . 1 1 74 74 ALA HB1 H 1 1.428 0.02 . 1 . . . . . . . . . 6405 1 736 . 1 1 74 74 ALA HB2 H 1 1.428 0.02 . 1 . . . . . . . . . 6405 1 737 . 1 1 74 74 ALA HB3 H 1 1.428 0.02 . 1 . . . . . . . . . 6405 1 738 . 1 1 74 74 ALA C C 13 177.9 0.05 . 1 . . . . . . . . . 6405 1 739 . 1 1 74 74 ALA CA C 13 54.82 0.05 . 1 . . . . . . . . . 6405 1 740 . 1 1 74 74 ALA CB C 13 18.64 0.05 . 1 . . . . . . . . . 6405 1 741 . 1 1 75 75 GLU H H 1 7.926 0.02 . 1 . . . . . . . . . 6405 1 742 . 1 1 75 75 GLU HA H 1 4.447 0.02 . 1 . . . . . . . . . 6405 1 743 . 1 1 75 75 GLU HB2 H 1 2.127 0.02 . 2 . . . . . . . . . 6405 1 744 . 1 1 75 75 GLU HB3 H 1 1.861 0.02 . 2 . . . . . . . . . 6405 1 745 . 1 1 75 75 GLU C C 13 175 0.05 . 1 . . . . . . . . . 6405 1 746 . 1 1 75 75 GLU CA C 13 54.79 0.05 . 1 . . . . . . . . . 6405 1 747 . 1 1 75 75 GLU CB C 13 31.59 0.05 . 1 . . . . . . . . . 6405 1 748 . 1 1 75 75 GLU N N 15 115.758 0.05 . 1 . . . . . . . . . 6405 1 749 . 1 1 76 76 CYS HA H 1 4.974 0.02 . 1 . . . . . . . . . 6405 1 750 . 1 1 76 76 CYS HB2 H 1 2.975 0.02 . 2 . . . . . . . . . 6405 1 751 . 1 1 76 76 CYS HB3 H 1 2.665 0.02 . 2 . . . . . . . . . 6405 1 752 . 1 1 76 76 CYS C C 13 172.1 0.05 . 1 . . . . . . . . . 6405 1 753 . 1 1 76 76 CYS CA C 13 54.99 0.05 . 1 . . . . . . . . . 6405 1 754 . 1 1 76 76 CYS CB C 13 37.69 0.05 . 1 . . . . . . . . . 6405 1 755 . 1 1 77 77 SER H H 1 8.599 0.02 . 1 . . . . . . . . . 6405 1 756 . 1 1 77 77 SER HA H 1 5.321 0.02 . 1 . . . . . . . . . 6405 1 757 . 1 1 77 77 SER HB2 H 1 3.521 0.02 . 2 . . . . . . . . . 6405 1 758 . 1 1 77 77 SER HB3 H 1 3.391 0.02 . 2 . . . . . . . . . 6405 1 759 . 1 1 77 77 SER C C 13 172.7 0.05 . 1 . . . . . . . . . 6405 1 760 . 1 1 77 77 SER CA C 13 56.78 0.05 . 1 . . . . . . . . . 6405 1 761 . 1 1 77 77 SER CB C 13 66.5 0.05 . 1 . . . . . . . . . 6405 1 762 . 1 1 77 77 SER N N 15 123.899 0.05 . 1 . . . . . . . . . 6405 1 763 . 1 1 78 78 ILE H H 1 9.02 0.02 . 1 . . . . . . . . . 6405 1 764 . 1 1 78 78 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . . 6405 1 765 . 1 1 78 78 ILE HB H 1 1.482 0.02 . 1 . . . . . . . . . 6405 1 766 . 1 1 78 78 ILE HG21 H 1 0.728 0.02 . 1 . . . . . . . . . 6405 1 767 . 1 1 78 78 ILE HG22 H 1 0.728 0.02 . 1 . . . . . . . . . 6405 1 768 . 1 1 78 78 ILE HG23 H 1 0.728 0.02 . 1 . . . . . . . . . 6405 1 769 . 1 1 78 78 ILE HD11 H 1 0.598 0.02 . 1 . . . . . . . . . 6405 1 770 . 1 1 78 78 ILE HD12 H 1 0.598 0.02 . 1 . . . . . . . . . 6405 1 771 . 1 1 78 78 ILE HD13 H 1 0.598 0.02 . 1 . . . . . . . . . 6405 1 772 . 1 1 78 78 ILE C C 13 174.6 0.05 . 1 . . . . . . . . . 6405 1 773 . 1 1 78 78 ILE CA C 13 60.31 0.05 . 1 . . . . . . . . . 6405 1 774 . 1 1 78 78 ILE CB C 13 40.81 0.05 . 1 . . . . . . . . . 6405 1 775 . 1 1 78 78 ILE CG2 C 13 17.78 0.05 . 1 . . . . . . . . . 6405 1 776 . 1 1 78 78 ILE CD1 C 13 14.92 0.05 . 1 . . . . . . . . . 6405 1 777 . 1 1 78 78 ILE N N 15 122.463 0.05 . 1 . . . . . . . . . 6405 1 778 . 1 1 79 79 HIS H H 1 8.947 0.02 . 1 . . . . . . . . . 6405 1 779 . 1 1 79 79 HIS HA H 1 4.993 0.02 . 1 . . . . . . . . . 6405 1 780 . 1 1 79 79 HIS HB2 H 1 3.028 0.02 . 2 . . . . . . . . . 6405 1 781 . 1 1 79 79 HIS HB3 H 1 2.961 0.02 . 2 . . . . . . . . . 6405 1 782 . 1 1 79 79 HIS HD2 H 1 6.887 0.02 . 1 . . . . . . . . . 6405 1 783 . 1 1 79 79 HIS C C 13 174.9 0.05 . 1 . . . . . . . . . 6405 1 784 . 1 1 79 79 HIS CA C 13 55.89 0.05 . 1 . . . . . . . . . 6405 1 785 . 1 1 79 79 HIS CB C 13 31.6 0.05 . 1 . . . . . . . . . 6405 1 786 . 1 1 79 79 HIS N N 15 126.644 0.05 . 1 . . . . . . . . . 6405 1 787 . 1 1 80 80 LEU H H 1 9.187 0.02 . 1 . . . . . . . . . 6405 1 788 . 1 1 80 80 LEU HA H 1 4.899 0.02 . 1 . . . . . . . . . 6405 1 789 . 1 1 80 80 LEU HB2 H 1 1.436 0.02 . 2 . . . . . . . . . 6405 1 790 . 1 1 80 80 LEU HB3 H 1 1.259 0.02 . 2 . . . . . . . . . 6405 1 791 . 1 1 80 80 LEU HD11 H 1 0.532 0.02 . 1 . . . . . . . . . 6405 1 792 . 1 1 80 80 LEU HD12 H 1 0.532 0.02 . 1 . . . . . . . . . 6405 1 793 . 1 1 80 80 LEU HD13 H 1 0.532 0.02 . 1 . . . . . . . . . 6405 1 794 . 1 1 80 80 LEU HD21 H 1 0.596 0.02 . 1 . . . . . . . . . 6405 1 795 . 1 1 80 80 LEU HD22 H 1 0.596 0.02 . 1 . . . . . . . . . 6405 1 796 . 1 1 80 80 LEU HD23 H 1 0.596 0.02 . 1 . . . . . . . . . 6405 1 797 . 1 1 80 80 LEU C C 13 175.6 0.05 . 1 . . . . . . . . . 6405 1 798 . 1 1 80 80 LEU CA C 13 53.45 0.05 . 1 . . . . . . . . . 6405 1 799 . 1 1 80 80 LEU CB C 13 45.08 0.05 . 1 . . . . . . . . . 6405 1 800 . 1 1 80 80 LEU CD1 C 13 26.43 0.05 . 1 . . . . . . . . . 6405 1 801 . 1 1 80 80 LEU CD2 C 13 24.39 0.05 . 1 . . . . . . . . . 6405 1 802 . 1 1 80 80 LEU N N 15 124.472 0.05 . 1 . . . . . . . . . 6405 1 803 . 1 1 81 81 GLU H H 1 8.752 0.02 . 1 . . . . . . . . . 6405 1 804 . 1 1 81 81 GLU HA H 1 4.87 0.02 . 1 . . . . . . . . . 6405 1 805 . 1 1 81 81 GLU HB2 H 1 1.791 0.02 . 1 . . . . . . . . . 6405 1 806 . 1 1 81 81 GLU HB3 H 1 1.791 0.02 . 1 . . . . . . . . . 6405 1 807 . 1 1 81 81 GLU HG2 H 1 2.024 0.02 . 1 . . . . . . . . . 6405 1 808 . 1 1 81 81 GLU HG3 H 1 2.024 0.02 . 1 . . . . . . . . . 6405 1 809 . 1 1 81 81 GLU C C 13 174.9 0.05 . 1 . . . . . . . . . 6405 1 810 . 1 1 81 81 GLU CA C 13 55.11 0.05 . 1 . . . . . . . . . 6405 1 811 . 1 1 81 81 GLU CB C 13 32.09 0.05 . 1 . . . . . . . . . 6405 1 812 . 1 1 81 81 GLU N N 15 123.252 0.05 . 1 . . . . . . . . . 6405 1 813 . 1 1 82 82 VAL H H 1 8.899 0.02 . 1 . . . . . . . . . 6405 1 814 . 1 1 82 82 VAL HA H 1 4.471 0.02 . 1 . . . . . . . . . 6405 1 815 . 1 1 82 82 VAL HB H 1 1.817 0.02 . 1 . . . . . . . . . 6405 1 816 . 1 1 82 82 VAL HG11 H 1 0.379 0.02 . 1 . . . . . . . . . 6405 1 817 . 1 1 82 82 VAL HG12 H 1 0.379 0.02 . 1 . . . . . . . . . 6405 1 818 . 1 1 82 82 VAL HG13 H 1 0.379 0.02 . 1 . . . . . . . . . 6405 1 819 . 1 1 82 82 VAL HG21 H 1 0.657 0.02 . 1 . . . . . . . . . 6405 1 820 . 1 1 82 82 VAL HG22 H 1 0.657 0.02 . 1 . . . . . . . . . 6405 1 821 . 1 1 82 82 VAL HG23 H 1 0.657 0.02 . 1 . . . . . . . . . 6405 1 822 . 1 1 82 82 VAL C C 13 173.9 0.05 . 1 . . . . . . . . . 6405 1 823 . 1 1 82 82 VAL CA C 13 60.79 0.05 . 1 . . . . . . . . . 6405 1 824 . 1 1 82 82 VAL CB C 13 33.37 0.05 . 1 . . . . . . . . . 6405 1 825 . 1 1 82 82 VAL CG1 C 13 22.45 0.05 . 1 . . . . . . . . . 6405 1 826 . 1 1 82 82 VAL CG2 C 13 22.02 0.05 . 1 . . . . . . . . . 6405 1 827 . 1 1 82 82 VAL N N 15 125.247 0.05 . 1 . . . . . . . . . 6405 1 828 . 1 1 83 83 ILE H H 1 8.606 0.02 . 1 . . . . . . . . . 6405 1 829 . 1 1 83 83 ILE HA H 1 4.877 0.02 . 1 . . . . . . . . . 6405 1 830 . 1 1 83 83 ILE HB H 1 1.307 0.02 . 1 . . . . . . . . . 6405 1 831 . 1 1 83 83 ILE HG12 H 1 0.8758 0.02 . 1 . . . . . . . . . 6405 1 832 . 1 1 83 83 ILE HG13 H 1 0.8758 0.02 . 1 . . . . . . . . . 6405 1 833 . 1 1 83 83 ILE HG21 H 1 0.681 0.02 . 1 . . . . . . . . . 6405 1 834 . 1 1 83 83 ILE HG22 H 1 0.681 0.02 . 1 . . . . . . . . . 6405 1 835 . 1 1 83 83 ILE HG23 H 1 0.681 0.02 . 1 . . . . . . . . . 6405 1 836 . 1 1 83 83 ILE HD11 H 1 0.661 0.02 . 1 . . . . . . . . . 6405 1 837 . 1 1 83 83 ILE HD12 H 1 0.661 0.02 . 1 . . . . . . . . . 6405 1 838 . 1 1 83 83 ILE HD13 H 1 0.661 0.02 . 1 . . . . . . . . . 6405 1 839 . 1 1 83 83 ILE C C 13 174.7 0.05 . 1 . . . . . . . . . 6405 1 840 . 1 1 83 83 ILE CA C 13 60.7 0.05 . 1 . . . . . . . . . 6405 1 841 . 1 1 83 83 ILE CB C 13 41.78 0.05 . 1 . . . . . . . . . 6405 1 842 . 1 1 83 83 ILE CG2 C 13 18.88 0.05 . 1 . . . . . . . . . 6405 1 843 . 1 1 83 83 ILE CD1 C 13 14.93 0.05 . 1 . . . . . . . . . 6405 1 844 . 1 1 83 83 ILE N N 15 126.942 0.05 . 1 . . . . . . . . . 6405 1 845 . 1 1 84 84 VAL H H 1 8.162 0.02 . 1 . . . . . . . . . 6405 1 846 . 1 1 84 84 VAL HA H 1 4.553 0.02 . 1 . . . . . . . . . 6405 1 847 . 1 1 84 84 VAL HB H 1 2.221 0.02 . 1 . . . . . . . . . 6405 1 848 . 1 1 84 84 VAL HG11 H 1 1.034 0.02 . 1 . . . . . . . . . 6405 1 849 . 1 1 84 84 VAL HG12 H 1 1.034 0.02 . 1 . . . . . . . . . 6405 1 850 . 1 1 84 84 VAL HG13 H 1 1.034 0.02 . 1 . . . . . . . . . 6405 1 851 . 1 1 84 84 VAL HG21 H 1 1.006 0.02 . 1 . . . . . . . . . 6405 1 852 . 1 1 84 84 VAL HG22 H 1 1.006 0.02 . 1 . . . . . . . . . 6405 1 853 . 1 1 84 84 VAL HG23 H 1 1.006 0.02 . 1 . . . . . . . . . 6405 1 854 . 1 1 84 84 VAL C C 13 172.9 0.05 . 1 . . . . . . . . . 6405 1 855 . 1 1 84 84 VAL CA C 13 58.99 0.05 . 1 . . . . . . . . . 6405 1 856 . 1 1 84 84 VAL CB C 13 36.27 0.05 . 1 . . . . . . . . . 6405 1 857 . 1 1 84 84 VAL CG1 C 13 24.69 0.05 . 1 . . . . . . . . . 6405 1 858 . 1 1 84 84 VAL CG2 C 13 21.22 0.05 . 1 . . . . . . . . . 6405 1 859 . 1 1 84 84 VAL N N 15 116.685 0.05 . 1 . . . . . . . . . 6405 1 860 . 1 1 85 85 ASP H H 1 9.177 0.02 . 1 . . . . . . . . . 6405 1 861 . 1 1 85 85 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . . 6405 1 862 . 1 1 85 85 ASP HB2 H 1 2.466 0.02 . 2 . . . . . . . . . 6405 1 863 . 1 1 85 85 ASP HB3 H 1 2.213 0.02 . 2 . . . . . . . . . 6405 1 864 . 1 1 85 85 ASP C C 13 176.7 0.05 . 1 . . . . . . . . . 6405 1 865 . 1 1 85 85 ASP CA C 13 52.59 0.05 . 1 . . . . . . . . . 6405 1 866 . 1 1 85 85 ASP CB C 13 45.34 0.05 . 1 . . . . . . . . . 6405 1 867 . 1 1 85 85 ASP N N 15 119.736 0.05 . 1 . . . . . . . . . 6405 1 868 . 1 1 86 86 ARG H H 1 9.024 0.02 . 1 . . . . . . . . . 6405 1 869 . 1 1 86 86 ARG HA H 1 3.846 0.02 . 1 . . . . . . . . . 6405 1 870 . 1 1 86 86 ARG HB2 H 1 1.831 0.02 . 2 . . . . . . . . . 6405 1 871 . 1 1 86 86 ARG HB3 H 1 1.487 0.02 . 2 . . . . . . . . . 6405 1 872 . 1 1 86 86 ARG HD2 H 1 3.174 0.02 . 1 . . . . . . . . . 6405 1 873 . 1 1 86 86 ARG HD3 H 1 3.174 0.02 . 1 . . . . . . . . . 6405 1 874 . 1 1 86 86 ARG C C 13 173.6 0.05 . 1 . . . . . . . . . 6405 1 875 . 1 1 86 86 ARG CA C 13 56.33 0.05 . 1 . . . . . . . . . 6405 1 876 . 1 1 86 86 ARG CB C 13 28.46 0.05 . 1 . . . . . . . . . 6405 1 877 . 1 1 86 86 ARG N N 15 112.946 0.05 . 1 . . . . . . . . . 6405 1 878 . 1 1 87 87 PRO HA H 1 4.422 0.02 . 1 . . . . . . . . . 6405 1 879 . 1 1 87 87 PRO HB2 H 1 2.063 0.02 . 2 . . . . . . . . . 6405 1 880 . 1 1 87 87 PRO HB3 H 1 1.979 0.02 . 2 . . . . . . . . . 6405 1 881 . 1 1 87 87 PRO HD2 H 1 3.272 0.02 . 1 . . . . . . . . . 6405 1 882 . 1 1 87 87 PRO HD3 H 1 3.272 0.02 . 1 . . . . . . . . . 6405 1 883 . 1 1 87 87 PRO C C 13 175.1 0.05 . 1 . . . . . . . . . 6405 1 884 . 1 1 87 87 PRO CA C 13 62.98 0.05 . 1 . . . . . . . . . 6405 1 885 . 1 1 87 87 PRO CB C 13 34.78 0.05 . 1 . . . . . . . . . 6405 1 886 . 1 1 88 88 LEU H H 1 7.826 0.02 . 1 . . . . . . . . . 6405 1 887 . 1 1 88 88 LEU HA H 1 5.209 0.02 . 1 . . . . . . . . . 6405 1 888 . 1 1 88 88 LEU HB2 H 1 1.612 0.02 . 2 . . . . . . . . . 6405 1 889 . 1 1 88 88 LEU HB3 H 1 1.467 0.02 . 2 . . . . . . . . . 6405 1 890 . 1 1 88 88 LEU HG H 1 1.286 0.02 . 1 . . . . . . . . . 6405 1 891 . 1 1 88 88 LEU HD11 H 1 0.799 0.02 . 1 . . . . . . . . . 6405 1 892 . 1 1 88 88 LEU HD12 H 1 0.799 0.02 . 1 . . . . . . . . . 6405 1 893 . 1 1 88 88 LEU HD13 H 1 0.799 0.02 . 1 . . . . . . . . . 6405 1 894 . 1 1 88 88 LEU HD21 H 1 0.777 0.02 . 1 . . . . . . . . . 6405 1 895 . 1 1 88 88 LEU HD22 H 1 0.777 0.02 . 1 . . . . . . . . . 6405 1 896 . 1 1 88 88 LEU HD23 H 1 0.777 0.02 . 1 . . . . . . . . . 6405 1 897 . 1 1 88 88 LEU C C 13 177.9 0.05 . 1 . . . . . . . . . 6405 1 898 . 1 1 88 88 LEU CA C 13 55.42 0.05 . 1 . . . . . . . . . 6405 1 899 . 1 1 88 88 LEU CB C 13 41.91 0.05 . 1 . . . . . . . . . 6405 1 900 . 1 1 88 88 LEU CG C 13 27.41 0.05 . 1 . . . . . . . . . 6405 1 901 . 1 1 88 88 LEU CD1 C 13 23.86 0.05 . 1 . . . . . . . . . 6405 1 902 . 1 1 88 88 LEU CD2 C 13 26.06 0.05 . 1 . . . . . . . . . 6405 1 903 . 1 1 88 88 LEU N N 15 117.995 0.05 . 1 . . . . . . . . . 6405 1 904 . 1 1 89 89 GLN H H 1 9.02 0.02 . 1 . . . . . . . . . 6405 1 905 . 1 1 89 89 GLN HA H 1 4.199 0.02 . 1 . . . . . . . . . 6405 1 906 . 1 1 89 89 GLN HB2 H 1 1.634 0.02 . 2 . . . . . . . . . 6405 1 907 . 1 1 89 89 GLN HB3 H 1 1.383 0.02 . 2 . . . . . . . . . 6405 1 908 . 1 1 89 89 GLN HG2 H 1 1.978 0.02 . 2 . . . . . . . . . 6405 1 909 . 1 1 89 89 GLN HG3 H 1 1.794 0.02 . 2 . . . . . . . . . 6405 1 910 . 1 1 89 89 GLN C C 13 172 0.05 . 1 . . . . . . . . . 6405 1 911 . 1 1 89 89 GLN CA C 13 55.71 0.05 . 1 . . . . . . . . . 6405 1 912 . 1 1 89 89 GLN CB C 13 34.47 0.05 . 1 . . . . . . . . . 6405 1 913 . 1 1 89 89 GLN N N 15 128.862 0.05 . 1 . . . . . . . . . 6405 1 914 . 1 1 90 90 VAL H H 1 7.515 0.02 . 1 . . . . . . . . . 6405 1 915 . 1 1 90 90 VAL HA H 1 4.734 0.02 . 1 . . . . . . . . . 6405 1 916 . 1 1 90 90 VAL HB H 1 1.603 0.02 . 1 . . . . . . . . . 6405 1 917 . 1 1 90 90 VAL HG11 H 1 0.563 0.02 . 1 . . . . . . . . . 6405 1 918 . 1 1 90 90 VAL HG12 H 1 0.563 0.02 . 1 . . . . . . . . . 6405 1 919 . 1 1 90 90 VAL HG13 H 1 0.563 0.02 . 1 . . . . . . . . . 6405 1 920 . 1 1 90 90 VAL HG21 H 1 0.72 0.02 . 1 . . . . . . . . . 6405 1 921 . 1 1 90 90 VAL HG22 H 1 0.72 0.02 . 1 . . . . . . . . . 6405 1 922 . 1 1 90 90 VAL HG23 H 1 0.72 0.02 . 1 . . . . . . . . . 6405 1 923 . 1 1 90 90 VAL C C 13 175.3 0.05 . 1 . . . . . . . . . 6405 1 924 . 1 1 90 90 VAL CA C 13 60.38 0.05 . 1 . . . . . . . . . 6405 1 925 . 1 1 90 90 VAL CB C 13 34.23 0.05 . 1 . . . . . . . . . 6405 1 926 . 1 1 90 90 VAL CG1 C 13 21.32 0.05 . 1 . . . . . . . . . 6405 1 927 . 1 1 90 90 VAL CG2 C 13 21.11 0.05 . 1 . . . . . . . . . 6405 1 928 . 1 1 90 90 VAL N N 15 119.457 0.05 . 1 . . . . . . . . . 6405 1 929 . 1 1 91 91 PHE H H 1 9.461 0.02 . 1 . . . . . . . . . 6405 1 930 . 1 1 91 91 PHE HA H 1 4.905 0.02 . 1 . . . . . . . . . 6405 1 931 . 1 1 91 91 PHE HB2 H 1 2.942 0.02 . 2 . . . . . . . . . 6405 1 932 . 1 1 91 91 PHE HB3 H 1 2.529 0.02 . 2 . . . . . . . . . 6405 1 933 . 1 1 91 91 PHE HD1 H 1 7.039 0.02 . 1 . . . . . . . . . 6405 1 934 . 1 1 91 91 PHE HD2 H 1 7.039 0.02 . 1 . . . . . . . . . 6405 1 935 . 1 1 91 91 PHE HE1 H 1 7.114 0.02 . 1 . . . . . . . . . 6405 1 936 . 1 1 91 91 PHE HE2 H 1 7.114 0.02 . 1 . . . . . . . . . 6405 1 937 . 1 1 91 91 PHE C C 13 174.2 0.05 . 1 . . . . . . . . . 6405 1 938 . 1 1 91 91 PHE CA C 13 55.26 0.05 . 1 . . . . . . . . . 6405 1 939 . 1 1 91 91 PHE CB C 13 42.5 0.05 . 1 . . . . . . . . . 6405 1 940 . 1 1 91 91 PHE N N 15 126.13 0.05 . 1 . . . . . . . . . 6405 1 941 . 1 1 92 92 HIS H H 1 8.788 0.02 . 1 . . . . . . . . . 6405 1 942 . 1 1 92 92 HIS HA H 1 5.147 0.02 . 1 . . . . . . . . . 6405 1 943 . 1 1 92 92 HIS HB2 H 1 3.079 0.02 . 2 . . . . . . . . . 6405 1 944 . 1 1 92 92 HIS HB3 H 1 2.955 0.02 . 2 . . . . . . . . . 6405 1 945 . 1 1 92 92 HIS HD2 H 1 6.937 0.02 . 1 . . . . . . . . . 6405 1 946 . 1 1 92 92 HIS C C 13 174.5 0.05 . 1 . . . . . . . . . 6405 1 947 . 1 1 92 92 HIS CA C 13 56.26 0.05 . 1 . . . . . . . . . 6405 1 948 . 1 1 92 92 HIS CB C 13 32.78 0.05 . 1 . . . . . . . . . 6405 1 949 . 1 1 92 92 HIS N N 15 121.206 0.05 . 1 . . . . . . . . . 6405 1 950 . 1 1 93 93 VAL H H 1 8.619 0.02 . 1 . . . . . . . . . 6405 1 951 . 1 1 93 93 VAL HA H 1 4.508 0.02 . 1 . . . . . . . . . 6405 1 952 . 1 1 93 93 VAL HB H 1 1.706 0.02 . 1 . . . . . . . . . 6405 1 953 . 1 1 93 93 VAL HG21 H 1 0.684 0.02 . 1 . . . . . . . . . 6405 1 954 . 1 1 93 93 VAL HG22 H 1 0.684 0.02 . 1 . . . . . . . . . 6405 1 955 . 1 1 93 93 VAL HG23 H 1 0.684 0.02 . 1 . . . . . . . . . 6405 1 956 . 1 1 93 93 VAL C C 13 173.2 0.05 . 1 . . . . . . . . . 6405 1 957 . 1 1 93 93 VAL CA C 13 60.35 0.05 . 1 . . . . . . . . . 6405 1 958 . 1 1 93 93 VAL CB C 13 35.49 0.05 . 1 . . . . . . . . . 6405 1 959 . 1 1 93 93 VAL CG2 C 13 21.58 0.05 . 1 . . . . . . . . . 6405 1 960 . 1 1 93 93 VAL N N 15 124.282 0.05 . 1 . . . . . . . . . 6405 1 961 . 1 1 94 94 GLU H H 1 8.302 0.02 . 1 . . . . . . . . . 6405 1 962 . 1 1 94 94 GLU HA H 1 4.786 0.02 . 1 . . . . . . . . . 6405 1 963 . 1 1 94 94 GLU HB2 H 1 1.783 0.02 . 2 . . . . . . . . . 6405 1 964 . 1 1 94 94 GLU HB3 H 1 1.674 0.02 . 2 . . . . . . . . . 6405 1 965 . 1 1 94 94 GLU C C 13 174.3 0.05 . 1 . . . . . . . . . 6405 1 966 . 1 1 94 94 GLU CA C 13 54.46 0.05 . 1 . . . . . . . . . 6405 1 967 . 1 1 94 94 GLU CB C 13 32.39 0.05 . 1 . . . . . . . . . 6405 1 968 . 1 1 94 94 GLU N N 15 127.527 0.05 . 1 . . . . . . . . . 6405 1 969 . 1 1 95 95 VAL H H 1 8.938 0.02 . 1 . . . . . . . . . 6405 1 970 . 1 1 95 95 VAL HA H 1 4.32 0.02 . 1 . . . . . . . . . 6405 1 971 . 1 1 95 95 VAL HB H 1 1.921 0.02 . 1 . . . . . . . . . 6405 1 972 . 1 1 95 95 VAL HG21 H 1 0.623 0.02 . 1 . . . . . . . . . 6405 1 973 . 1 1 95 95 VAL HG22 H 1 0.623 0.02 . 1 . . . . . . . . . 6405 1 974 . 1 1 95 95 VAL HG23 H 1 0.623 0.02 . 1 . . . . . . . . . 6405 1 975 . 1 1 95 95 VAL C C 13 174.9 0.05 . 1 . . . . . . . . . 6405 1 976 . 1 1 95 95 VAL CA C 13 60.17 0.05 . 1 . . . . . . . . . 6405 1 977 . 1 1 95 95 VAL CB C 13 32.66 0.05 . 1 . . . . . . . . . 6405 1 978 . 1 1 95 95 VAL CG2 C 13 21.31 0.05 . 1 . . . . . . . . . 6405 1 979 . 1 1 95 95 VAL N N 15 125.139 0.05 . 1 . . . . . . . . . 6405 1 980 . 1 1 96 96 GLU H H 1 9.002 0.02 . 1 . . . . . . . . . 6405 1 981 . 1 1 96 96 GLU HA H 1 4.424 0.02 . 1 . . . . . . . . . 6405 1 982 . 1 1 96 96 GLU HB2 H 1 2.082 0.02 . 2 . . . . . . . . . 6405 1 983 . 1 1 96 96 GLU HB3 H 1 2.021 0.02 . 2 . . . . . . . . . 6405 1 984 . 1 1 96 96 GLU HG2 H 1 2.257 0.02 . 1 . . . . . . . . . 6405 1 985 . 1 1 96 96 GLU HG3 H 1 2.257 0.02 . 1 . . . . . . . . . 6405 1 986 . 1 1 96 96 GLU C C 13 174.6 0.05 . 1 . . . . . . . . . 6405 1 987 . 1 1 96 96 GLU CA C 13 56.34 0.05 . 1 . . . . . . . . . 6405 1 988 . 1 1 96 96 GLU CB C 13 31.01 0.05 . 1 . . . . . . . . . 6405 1 989 . 1 1 96 96 GLU N N 15 130.215 0.05 . 1 . . . . . . . . . 6405 1 990 . 1 1 97 97 VAL H H 1 8.417 0.02 . 1 . . . . . . . . . 6405 1 991 . 1 1 97 97 VAL HA H 1 4.536 0.02 . 1 . . . . . . . . . 6405 1 992 . 1 1 97 97 VAL HB H 1 1.554 0.02 . 1 . . . . . . . . . 6405 1 993 . 1 1 97 97 VAL HG11 H 1 0.562 0.02 . 1 . . . . . . . . . 6405 1 994 . 1 1 97 97 VAL HG12 H 1 0.562 0.02 . 1 . . . . . . . . . 6405 1 995 . 1 1 97 97 VAL HG13 H 1 0.562 0.02 . 1 . . . . . . . . . 6405 1 996 . 1 1 97 97 VAL HG21 H 1 0.637 0.02 . 1 . . . . . . . . . 6405 1 997 . 1 1 97 97 VAL HG22 H 1 0.637 0.02 . 1 . . . . . . . . . 6405 1 998 . 1 1 97 97 VAL HG23 H 1 0.637 0.02 . 1 . . . . . . . . . 6405 1 999 . 1 1 97 97 VAL C C 13 176.9 0.05 . 1 . . . . . . . . . 6405 1 1000 . 1 1 97 97 VAL CA C 13 60.72 0.05 . 1 . . . . . . . . . 6405 1 1001 . 1 1 97 97 VAL CB C 13 32.6 0.05 . 1 . . . . . . . . . 6405 1 1002 . 1 1 97 97 VAL CG1 C 13 22.51 0.05 . 1 . . . . . . . . . 6405 1 1003 . 1 1 97 97 VAL CG2 C 13 20.66 0.05 . 1 . . . . . . . . . 6405 1 1004 . 1 1 97 97 VAL N N 15 126.193 0.05 . 1 . . . . . . . . . 6405 1 1005 . 1 1 98 98 ARG H H 1 9.441 0.02 . 1 . . . . . . . . . 6405 1 1006 . 1 1 98 98 ARG HA H 1 4.298 0.02 . 1 . . . . . . . . . 6405 1 1007 . 1 1 98 98 ARG HB2 H 1 1.725 0.02 . 2 . . . . . . . . . 6405 1 1008 . 1 1 98 98 ARG HB3 H 1 1.533 0.02 . 2 . . . . . . . . . 6405 1 1009 . 1 1 98 98 ARG HG2 H 1 1.248 0.02 . 1 . . . . . . . . . 6405 1 1010 . 1 1 98 98 ARG HG3 H 1 1.248 0.02 . 1 . . . . . . . . . 6405 1 1011 . 1 1 98 98 ARG HD2 H 1 3.057 0.02 . 1 . . . . . . . . . 6405 1 1012 . 1 1 98 98 ARG HD3 H 1 3.057 0.02 . 1 . . . . . . . . . 6405 1 1013 . 1 1 98 98 ARG C C 13 175.9 0.05 . 1 . . . . . . . . . 6405 1 1014 . 1 1 98 98 ARG CA C 13 56.06 0.05 . 1 . . . . . . . . . 6405 1 1015 . 1 1 98 98 ARG CB C 13 31 0.05 . 1 . . . . . . . . . 6405 1 1016 . 1 1 98 98 ARG N N 15 129.13 0.05 . 1 . . . . . . . . . 6405 1 1017 . 1 1 99 99 ASP H H 1 8.883 0.02 . 1 . . . . . . . . . 6405 1 1018 . 1 1 99 99 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . . 6405 1 1019 . 1 1 99 99 ASP HB2 H 1 2.467 0.02 . 2 . . . . . . . . . 6405 1 1020 . 1 1 99 99 ASP HB3 H 1 2.266 0.02 . 2 . . . . . . . . . 6405 1 1021 . 1 1 99 99 ASP C C 13 176.6 0.05 . 1 . . . . . . . . . 6405 1 1022 . 1 1 99 99 ASP CA C 13 55.42 0.05 . 1 . . . . . . . . . 6405 1 1023 . 1 1 99 99 ASP CB C 13 42.25 0.05 . 1 . . . . . . . . . 6405 1 1024 . 1 1 99 99 ASP N N 15 121.934 0.05 . 1 . . . . . . . . . 6405 1 1025 . 1 1 100 100 ILE H H 1 8.986 0.02 . 1 . . . . . . . . . 6405 1 1026 . 1 1 100 100 ILE HA H 1 4.657 0.02 . 1 . . . . . . . . . 6405 1 1027 . 1 1 100 100 ILE C C 13 177.2 0.05 . 1 . . . . . . . . . 6405 1 1028 . 1 1 100 100 ILE CA C 13 59.62 0.05 . 1 . . . . . . . . . 6405 1 1029 . 1 1 100 100 ILE CB C 13 40.03 0.05 . 1 . . . . . . . . . 6405 1 1030 . 1 1 100 100 ILE N N 15 120.276 0.05 . 1 . . . . . . . . . 6405 1 1031 . 1 1 101 101 ASN H H 1 7.677 0.02 . 1 . . . . . . . . . 6405 1 1032 . 1 1 101 101 ASN CA C 13 61.18 0.05 . 1 . . . . . . . . . 6405 1 1033 . 1 1 101 101 ASN ND2 N 15 114.997 0.05 . 1 . . . . . . . . . 6405 1 1034 . 1 1 102 102 ASP HA H 1 4.516 0.02 . 1 . . . . . . . . . 6405 1 1035 . 1 1 102 102 ASP HB2 H 1 2.784 0.02 . 2 . . . . . . . . . 6405 1 1036 . 1 1 102 102 ASP HB3 H 1 2.417 0.02 . 2 . . . . . . . . . 6405 1 1037 . 1 1 102 102 ASP C C 13 174.7 0.05 . 1 . . . . . . . . . 6405 1 1038 . 1 1 102 102 ASP CA C 13 52.89 0.05 . 1 . . . . . . . . . 6405 1 1039 . 1 1 102 102 ASP CB C 13 39.7 0.05 . 1 . . . . . . . . . 6405 1 1040 . 1 1 103 103 ASN H H 1 7.891 0.02 . 1 . . . . . . . . . 6405 1 1041 . 1 1 103 103 ASN HA H 1 4.377 0.02 . 1 . . . . . . . . . 6405 1 1042 . 1 1 103 103 ASN HB2 H 1 2.729 0.02 . 2 . . . . . . . . . 6405 1 1043 . 1 1 103 103 ASN HB3 H 1 2.616 0.02 . 2 . . . . . . . . . 6405 1 1044 . 1 1 103 103 ASN CA C 13 54.95 0.05 . 1 . . . . . . . . . 6405 1 1045 . 1 1 103 103 ASN CB C 13 40.24 0.05 . 1 . . . . . . . . . 6405 1 1046 . 1 1 103 103 ASN N N 15 123.427 0.05 . 1 . . . . . . . . . 6405 1 stop_ save_