data_17645 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17645 _Entry.Title ; Solution structure of myosin VI lever arm extension ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-13 _Entry.Accession_date 2011-05-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Wei Feng . . . 17645 2 Cong Yu . . . 17645 3 Mingjie Zhang . . . 17645 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17645 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'lever arm extension' . 17645 'molecular motor' . 17645 'myosin VI' . 17645 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17645 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 305 17645 '15N chemical shifts' 83 17645 '1H chemical shifts' 637 17645 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-01-25 2011-05-13 update BMRB 'update entry citation' 17645 1 . . 2012-08-30 2011-05-13 original author 'original release' 17645 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LD3 'BMRB Entry Tracking System' 17645 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17645 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22936804 _Citation.Full_citation . _Citation.Title 'Membrane-induced lever arm expansion allows myosin VI to walk with large and variable step sizes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 42 _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 35021 _Citation.Page_last 35035 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cong Yu . . . 17645 1 2 Jizhong Lou . . . 17645 1 3 Jingjing Wu . . . 17645 1 4 Lifeng Pan . . . 17645 1 5 Wei Feng . . . 17645 1 6 Mingjie Zhang . . . 17645 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17645 _Assembly.ID 1 _Assembly.Name 'myosin VI lever arm extension' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'myosin VI lever arm extension' 1 $myosin_VI_LAE A . yes native no no . . . 17645 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_myosin_VI_LAE _Entity.Sf_category entity _Entity.Sf_framecode myosin_VI_LAE _Entity.Entry_ID 17645 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name myosin_VI_LAE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QGPGSLVKVGTLKKRLDKFN EVVSALKDGKPEVNRQIKNL EISIDALMAKIKSTMMTREQ IQKEYDALVKSSEDLLSALQ KKKQQEEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues "QGPGS" are from the non-native tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'the lever arm extension' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9961.641 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LD3 . "Solution Structure Of Myosin Vi Lever Arm Extension" . . . . . 100.00 88 100.00 100.00 2.71e-53 . . . . 17645 1 2 no DBJ BAD32219 . "mKIAA0389 protein [Mus musculus]" . . . . . 94.32 552 100.00 100.00 1.17e-44 . . . . 17645 1 3 no GB AAB00194 . "unconventional myosin VI [Mus musculus]" . . . . . 94.32 1265 97.59 97.59 6.31e-42 . . . . 17645 1 4 no GB AAI44918 . "Myosin VI [Mus musculus]" . . . . . 94.32 1262 100.00 100.00 4.46e-43 . . . . 17645 1 5 no GB AAI50674 . "Myosin VI [Mus musculus]" . . . . . 94.32 1262 100.00 100.00 4.46e-43 . . . . 17645 1 6 no GB EDL26433 . "mCG18842, isoform CRA_a [Mus musculus]" . . . . . 94.32 1238 100.00 100.00 4.73e-43 . . . . 17645 1 7 no GB EDL26434 . "mCG18842, isoform CRA_a [Mus musculus]" . . . . . 94.32 1238 100.00 100.00 4.73e-43 . . . . 17645 1 8 no PRF 2204386A . "myosin VI:SUBUNIT=heavy chain" . . . . . 94.32 1265 97.59 97.59 6.37e-42 . . . . 17645 1 9 no REF NP_001034635 . "unconventional myosin-VI [Mus musculus]" . . . . . 94.32 1262 100.00 100.00 4.55e-43 . . . . 17645 1 10 no REF XP_001061392 . "PREDICTED: unconventional myosin-VI isoform X3 [Rattus norvegicus]" . . . . . 94.32 1262 98.80 100.00 2.42e-42 . . . . 17645 1 11 no REF XP_003508949 . "PREDICTED: unconventional myosin-VI isoform X1 [Cricetulus griseus]" . . . . . 94.32 1262 97.59 100.00 7.07e-42 . . . . 17645 1 12 no REF XP_004696356 . "PREDICTED: unconventional myosin-VI isoform X1 [Echinops telfairi]" . . . . . 94.32 1284 97.59 100.00 3.36e-42 . . . . 17645 1 13 no REF XP_004696357 . "PREDICTED: unconventional myosin-VI isoform X2 [Echinops telfairi]" . . . . . 94.32 1261 97.59 100.00 2.91e-42 . . . . 17645 1 14 no SP Q64331 . "RecName: Full=Unconventional myosin-VI; AltName: Full=Unconventional myosin-6" . . . . . 94.32 1265 97.59 97.59 6.31e-42 . . . . 17645 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 16 GLN . 17645 1 2 17 GLY . 17645 1 3 18 PRO . 17645 1 4 19 GLY . 17645 1 5 20 SER . 17645 1 6 21 LEU . 17645 1 7 22 VAL . 17645 1 8 23 LYS . 17645 1 9 24 VAL . 17645 1 10 25 GLY . 17645 1 11 26 THR . 17645 1 12 27 LEU . 17645 1 13 28 LYS . 17645 1 14 29 LYS . 17645 1 15 30 ARG . 17645 1 16 31 LEU . 17645 1 17 32 ASP . 17645 1 18 33 LYS . 17645 1 19 34 PHE . 17645 1 20 35 ASN . 17645 1 21 36 GLU . 17645 1 22 37 VAL . 17645 1 23 38 VAL . 17645 1 24 39 SER . 17645 1 25 40 ALA . 17645 1 26 41 LEU . 17645 1 27 42 LYS . 17645 1 28 43 ASP . 17645 1 29 44 GLY . 17645 1 30 45 LYS . 17645 1 31 46 PRO . 17645 1 32 47 GLU . 17645 1 33 48 VAL . 17645 1 34 49 ASN . 17645 1 35 50 ARG . 17645 1 36 51 GLN . 17645 1 37 52 ILE . 17645 1 38 53 LYS . 17645 1 39 54 ASN . 17645 1 40 55 LEU . 17645 1 41 56 GLU . 17645 1 42 57 ILE . 17645 1 43 58 SER . 17645 1 44 59 ILE . 17645 1 45 60 ASP . 17645 1 46 61 ALA . 17645 1 47 62 LEU . 17645 1 48 63 MET . 17645 1 49 64 ALA . 17645 1 50 65 LYS . 17645 1 51 66 ILE . 17645 1 52 67 LYS . 17645 1 53 68 SER . 17645 1 54 69 THR . 17645 1 55 70 MET . 17645 1 56 71 MET . 17645 1 57 72 THR . 17645 1 58 73 ARG . 17645 1 59 74 GLU . 17645 1 60 75 GLN . 17645 1 61 76 ILE . 17645 1 62 77 GLN . 17645 1 63 78 LYS . 17645 1 64 79 GLU . 17645 1 65 80 TYR . 17645 1 66 81 ASP . 17645 1 67 82 ALA . 17645 1 68 83 LEU . 17645 1 69 84 VAL . 17645 1 70 85 LYS . 17645 1 71 86 SER . 17645 1 72 87 SER . 17645 1 73 88 GLU . 17645 1 74 89 ASP . 17645 1 75 90 LEU . 17645 1 76 91 LEU . 17645 1 77 92 SER . 17645 1 78 93 ALA . 17645 1 79 94 LEU . 17645 1 80 95 GLN . 17645 1 81 96 LYS . 17645 1 82 97 LYS . 17645 1 83 98 LYS . 17645 1 84 99 GLN . 17645 1 85 100 GLN . 17645 1 86 101 GLU . 17645 1 87 102 GLU . 17645 1 88 103 GLU . 17645 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 . GLN 1 1 17645 1 . GLY 2 2 17645 1 . PRO 3 3 17645 1 . GLY 4 4 17645 1 . SER 5 5 17645 1 . LEU 6 6 17645 1 . VAL 7 7 17645 1 . LYS 8 8 17645 1 . VAL 9 9 17645 1 . GLY 10 10 17645 1 . THR 11 11 17645 1 . LEU 12 12 17645 1 . LYS 13 13 17645 1 . LYS 14 14 17645 1 . ARG 15 15 17645 1 . LEU 16 16 17645 1 . ASP 17 17 17645 1 . LYS 18 18 17645 1 . PHE 19 19 17645 1 . ASN 20 20 17645 1 . GLU 21 21 17645 1 . VAL 22 22 17645 1 . VAL 23 23 17645 1 . SER 24 24 17645 1 . ALA 25 25 17645 1 . LEU 26 26 17645 1 . LYS 27 27 17645 1 . ASP 28 28 17645 1 . GLY 29 29 17645 1 . LYS 30 30 17645 1 . PRO 31 31 17645 1 . GLU 32 32 17645 1 . VAL 33 33 17645 1 . ASN 34 34 17645 1 . ARG 35 35 17645 1 . GLN 36 36 17645 1 . ILE 37 37 17645 1 . LYS 38 38 17645 1 . ASN 39 39 17645 1 . LEU 40 40 17645 1 . GLU 41 41 17645 1 . ILE 42 42 17645 1 . SER 43 43 17645 1 . ILE 44 44 17645 1 . ASP 45 45 17645 1 . ALA 46 46 17645 1 . LEU 47 47 17645 1 . MET 48 48 17645 1 . ALA 49 49 17645 1 . LYS 50 50 17645 1 . ILE 51 51 17645 1 . LYS 52 52 17645 1 . SER 53 53 17645 1 . THR 54 54 17645 1 . MET 55 55 17645 1 . MET 56 56 17645 1 . THR 57 57 17645 1 . ARG 58 58 17645 1 . GLU 59 59 17645 1 . GLN 60 60 17645 1 . ILE 61 61 17645 1 . GLN 62 62 17645 1 . LYS 63 63 17645 1 . GLU 64 64 17645 1 . TYR 65 65 17645 1 . ASP 66 66 17645 1 . ALA 67 67 17645 1 . LEU 68 68 17645 1 . VAL 69 69 17645 1 . LYS 70 70 17645 1 . SER 71 71 17645 1 . SER 72 72 17645 1 . GLU 73 73 17645 1 . ASP 74 74 17645 1 . LEU 75 75 17645 1 . LEU 76 76 17645 1 . SER 77 77 17645 1 . ALA 78 78 17645 1 . LEU 79 79 17645 1 . GLN 80 80 17645 1 . LYS 81 81 17645 1 . LYS 82 82 17645 1 . LYS 83 83 17645 1 . GLN 84 84 17645 1 . GLN 85 85 17645 1 . GLU 86 86 17645 1 . GLU 87 87 17645 1 . GLU 88 88 17645 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 17645 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $myosin_VI_LAE . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17645 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 17645 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $myosin_VI_LAE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET32a . . . . . . 17645 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17645 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'myosin VI LAE' 'natural abundance' . . 1 $myosin_VI_LAE . . 1.0 . . mM . . . . 17645 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17645 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17645 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17645 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'myosin VI LAE' '[U-100% 15N]' . . 1 $myosin_VI_LAE . . 1.0 . . mM . . . . 17645 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17645 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17645 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17645 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'myosin VI LAE' '[U-100% 13C; U-100% 15N]' . . 1 $myosin_VI_LAE . . 1.0 . . mM . . . . 17645 3 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 17645 3 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 17645 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17645 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'myosin VI LAE' '[U-100% 13C; U-100% 15N]' . . 1 $myosin_VI_LAE . . 1.0 . . mM . . . . 17645 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17645 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17645 _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 'ionic strength' 50 . mM 17645 1 pH 6.5 . pH 17645 1 pressure 1 . atm 17645 1 temperature 303 . K 17645 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17645 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17645 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17645 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17645 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17645 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17645 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 17645 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 17645 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17645 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17645 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17645 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17645 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17645 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17645 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17645 _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_1 Varian INOVA . 500 . . . 17645 1 2 spectrometer_2 Varian INOVA . 750 . . . 17645 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 17645 _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 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17645 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17645 1 3 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17645 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17645 1 5 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17645 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17645 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17645 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17645 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17645 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17645 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17645 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 2 '3D 1H-15N NOESY' . . . 17645 1 3 '3D HNCACB' . . . 17645 1 4 '3D CBCA(CO)NH' . . . 17645 1 6 '3D 1H-13C NOESY' . . . 17645 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.374 . . 1 . . . A 16 GLN HA . 17645 1 2 . 1 1 1 1 GLN HB2 H 1 2.114 . . 2 . . . A 16 GLN HB2 . 17645 1 3 . 1 1 1 1 GLN HB3 H 1 1.931 . . 2 . . . A 16 GLN HB3 . 17645 1 4 . 1 1 1 1 GLN HG2 H 1 2.315 . . 2 . . . A 16 GLN HG2 . 17645 1 5 . 1 1 1 1 GLN HG3 H 1 2.315 . . 2 . . . A 16 GLN HG3 . 17645 1 6 . 1 1 1 1 GLN H H 1 8.0750 . . 1 . . . A 16 GLN H1 . 17645 1 7 . 1 1 1 1 GLN CA C 13 56.2300 . . 1 . . . A 16 GLN CA . 17645 1 8 . 1 1 1 1 GLN CB C 13 30.5100 . . 1 . . . A 16 GLN CB . 17645 1 9 . 1 1 1 1 GLN CG C 13 34.44 . . 1 . . . A 16 GLN CG . 17645 1 10 . 1 1 1 1 GLN N N 15 121.2360 . . 1 . . . A 16 GLN N . 17645 1 11 . 1 1 2 2 GLY H H 1 8.0650 . . 1 . . . A 17 GLY H . 17645 1 12 . 1 1 2 2 GLY HA2 H 1 4.142 . . 2 . . . A 17 GLY HA2 . 17645 1 13 . 1 1 2 2 GLY HA3 H 1 3.990 . . 2 . . . A 17 GLY HA3 . 17645 1 14 . 1 1 2 2 GLY CA C 13 45.6100 . . 1 . . . A 17 GLY CA . 17645 1 15 . 1 1 2 2 GLY N N 15 110.3560 . . 1 . . . A 17 GLY N . 17645 1 16 . 1 1 3 3 PRO HA H 1 4.393 . . 1 . . . A 18 PRO HA . 17645 1 17 . 1 1 3 3 PRO HB2 H 1 1.959 . . 2 . . . A 18 PRO HB2 . 17645 1 18 . 1 1 3 3 PRO HB3 H 1 2.310 . . 2 . . . A 18 PRO HB3 . 17645 1 19 . 1 1 3 3 PRO HG2 H 1 2.039 . . 2 . . . A 18 PRO HG2 . 17645 1 20 . 1 1 3 3 PRO HG3 H 1 2.039 . . 2 . . . A 18 PRO HG3 . 17645 1 21 . 1 1 3 3 PRO HD2 H 1 3.688 . . 2 . . . A 18 PRO HD2 . 17645 1 22 . 1 1 3 3 PRO HD3 H 1 3.659 . . 2 . . . A 18 PRO HD3 . 17645 1 23 . 1 1 3 3 PRO CA C 13 64.67 . . 1 . . . A 18 PRO CA . 17645 1 24 . 1 1 3 3 PRO CB C 13 32.70 . . 1 . . . A 18 PRO CB . 17645 1 25 . 1 1 3 3 PRO CG C 13 28.02 . . 1 . . . A 18 PRO CG . 17645 1 26 . 1 1 3 3 PRO CD C 13 50.69 . . 1 . . . A 18 PRO CD . 17645 1 27 . 1 1 4 4 GLY HA2 H 1 3.942 . . 2 . . . A 19 GLY HA2 . 17645 1 28 . 1 1 4 4 GLY HA3 H 1 3.865 . . 2 . . . A 19 GLY HA3 . 17645 1 29 . 1 1 4 4 GLY CA C 13 46.73 . . 1 . . . A 19 GLY CA . 17645 1 30 . 1 1 5 5 SER HA H 1 4.192 . . 1 . . . A 20 SER HA . 17645 1 31 . 1 1 5 5 SER HB2 H 1 3.809 . . 2 . . . A 20 SER HB2 . 17645 1 32 . 1 1 5 5 SER HB3 H 1 3.809 . . 2 . . . A 20 SER HB3 . 17645 1 33 . 1 1 5 5 SER CA C 13 60.9600 . . 1 . . . A 20 SER CA . 17645 1 34 . 1 1 5 5 SER CB C 13 64.2500 . . 1 . . . A 20 SER CB . 17645 1 35 . 1 1 6 6 LEU H H 1 8.0520 . . 1 . . . A 21 LEU H . 17645 1 36 . 1 1 6 6 LEU HA H 1 4.120 . . 1 . . . A 21 LEU HA . 17645 1 37 . 1 1 6 6 LEU HB2 H 1 1.715 . . 2 . . . A 21 LEU HB2 . 17645 1 38 . 1 1 6 6 LEU HB3 H 1 1.715 . . 2 . . . A 21 LEU HB3 . 17645 1 39 . 1 1 6 6 LEU HG H 1 1.668 . . 1 . . . A 21 LEU HG . 17645 1 40 . 1 1 6 6 LEU HD11 H 1 0.920 . . 2 . . . A 21 LEU HD11 . 17645 1 41 . 1 1 6 6 LEU HD12 H 1 0.920 . . 2 . . . A 21 LEU HD12 . 17645 1 42 . 1 1 6 6 LEU HD13 H 1 0.920 . . 2 . . . A 21 LEU HD13 . 17645 1 43 . 1 1 6 6 LEU HD21 H 1 0.887 . . 2 . . . A 21 LEU HD21 . 17645 1 44 . 1 1 6 6 LEU HD22 H 1 0.887 . . 2 . . . A 21 LEU HD22 . 17645 1 45 . 1 1 6 6 LEU HD23 H 1 0.887 . . 2 . . . A 21 LEU HD23 . 17645 1 46 . 1 1 6 6 LEU CA C 13 57.7200 . . 1 . . . A 21 LEU CA . 17645 1 47 . 1 1 6 6 LEU CB C 13 42.9700 . . 1 . . . A 21 LEU CB . 17645 1 48 . 1 1 6 6 LEU CG C 13 27.99 . . 1 . . . A 21 LEU CG . 17645 1 49 . 1 1 6 6 LEU CD1 C 13 26.00 . . 2 . . . A 21 LEU CD1 . 17645 1 50 . 1 1 6 6 LEU CD2 C 13 25.26 . . 2 . . . A 21 LEU CD2 . 17645 1 51 . 1 1 6 6 LEU N N 15 122.7310 . . 1 . . . A 21 LEU N . 17645 1 52 . 1 1 7 7 VAL H H 1 7.6760 . . 1 . . . A 22 VAL H . 17645 1 53 . 1 1 7 7 VAL HA H 1 3.753 . . 1 . . . A 22 VAL HA . 17645 1 54 . 1 1 7 7 VAL HB H 1 1.965 . . 1 . . . A 22 VAL HB . 17645 1 55 . 1 1 7 7 VAL HG11 H 1 0.823 . . 2 . . . A 22 VAL HG11 . 17645 1 56 . 1 1 7 7 VAL HG12 H 1 0.823 . . 2 . . . A 22 VAL HG12 . 17645 1 57 . 1 1 7 7 VAL HG13 H 1 0.823 . . 2 . . . A 22 VAL HG13 . 17645 1 58 . 1 1 7 7 VAL HG21 H 1 0.923 . . 2 . . . A 22 VAL HG21 . 17645 1 59 . 1 1 7 7 VAL HG22 H 1 0.923 . . 2 . . . A 22 VAL HG22 . 17645 1 60 . 1 1 7 7 VAL HG23 H 1 0.923 . . 2 . . . A 22 VAL HG23 . 17645 1 61 . 1 1 7 7 VAL CA C 13 65.35 . . 1 . . . A 22 VAL CA . 17645 1 62 . 1 1 7 7 VAL CB C 13 32.60 . . 1 . . . A 22 VAL CB . 17645 1 63 . 1 1 7 7 VAL CG1 C 13 21.75 . . 2 . . . A 22 VAL CG1 . 17645 1 64 . 1 1 7 7 VAL CG2 C 13 22.51 . . 2 . . . A 22 VAL CG2 . 17645 1 65 . 1 1 7 7 VAL N N 15 119.9480 . . 1 . . . A 22 VAL N . 17645 1 66 . 1 1 8 8 LYS H H 1 7.8300 . . 1 . . . A 23 LYS H . 17645 1 67 . 1 1 8 8 LYS HA H 1 4.187 . . 1 . . . A 23 LYS HA . 17645 1 68 . 1 1 8 8 LYS HB2 H 1 1.726 . . 2 . . . A 23 LYS HB2 . 17645 1 69 . 1 1 8 8 LYS HB3 H 1 1.693 . . 2 . . . A 23 LYS HB3 . 17645 1 70 . 1 1 8 8 LYS HG2 H 1 1.294 . . 2 . . . A 23 LYS HG2 . 17645 1 71 . 1 1 8 8 LYS HG3 H 1 1.180 . . 2 . . . A 23 LYS HG3 . 17645 1 72 . 1 1 8 8 LYS HD2 H 1 1.477 . . 2 . . . A 23 LYS HD2 . 17645 1 73 . 1 1 8 8 LYS HD3 H 1 1.441 . . 2 . . . A 23 LYS HD3 . 17645 1 74 . 1 1 8 8 LYS HE2 H 1 2.722 . . 2 . . . A 23 LYS HE2 . 17645 1 75 . 1 1 8 8 LYS HE3 H 1 2.722 . . 2 . . . A 23 LYS HE3 . 17645 1 76 . 1 1 8 8 LYS CA C 13 58.83 . . 1 . . . A 23 LYS CA . 17645 1 77 . 1 1 8 8 LYS CB C 13 32.56 . . 1 . . . A 23 LYS CB . 17645 1 78 . 1 1 8 8 LYS CG C 13 25.67 . . 1 . . . A 23 LYS CG . 17645 1 79 . 1 1 8 8 LYS CD C 13 29.75 . . 1 . . . A 23 LYS CD . 17645 1 80 . 1 1 8 8 LYS CE C 13 42.25 . . 1 . . . A 23 LYS CE . 17645 1 81 . 1 1 8 8 LYS N N 15 122.4000 . . 1 . . . A 23 LYS N . 17645 1 82 . 1 1 9 9 VAL H H 1 8.194 . . 1 . . . A 24 VAL H . 17645 1 83 . 1 1 9 9 VAL HA H 1 3.826 . . 1 . . . A 24 VAL HA . 17645 1 84 . 1 1 9 9 VAL HB H 1 2.112 . . 1 . . . A 24 VAL HB . 17645 1 85 . 1 1 9 9 VAL HG11 H 1 1.032 . . 2 . . . A 24 VAL HG11 . 17645 1 86 . 1 1 9 9 VAL HG12 H 1 1.032 . . 2 . . . A 24 VAL HG12 . 17645 1 87 . 1 1 9 9 VAL HG13 H 1 1.032 . . 2 . . . A 24 VAL HG13 . 17645 1 88 . 1 1 9 9 VAL CA C 13 66.8600 . . 1 . . . A 24 VAL CA . 17645 1 89 . 1 1 9 9 VAL CB C 13 32.450 . . 1 . . . A 24 VAL CB . 17645 1 90 . 1 1 9 9 VAL CG1 C 13 23.22 . . 2 . . . A 24 VAL CG1 . 17645 1 91 . 1 1 9 9 VAL N N 15 121.205 . . 1 . . . A 24 VAL N . 17645 1 92 . 1 1 10 10 GLY H H 1 8.4460 . . 1 . . . A 25 GLY H . 17645 1 93 . 1 1 10 10 GLY HA2 H 1 4.015 . . 2 . . . A 25 GLY HA2 . 17645 1 94 . 1 1 10 10 GLY HA3 H 1 3.894 . . 2 . . . A 25 GLY HA3 . 17645 1 95 . 1 1 10 10 GLY CA C 13 47.6600 . . 1 . . . A 25 GLY CA . 17645 1 96 . 1 1 10 10 GLY N N 15 107.9000 . . 1 . . . A 25 GLY N . 17645 1 97 . 1 1 11 11 THR H H 1 7.9920 . . 1 . . . A 26 THR H . 17645 1 98 . 1 1 11 11 THR HA H 1 4.109 . . 1 . . . A 26 THR HA . 17645 1 99 . 1 1 11 11 THR HB H 1 4.365 . . 1 . . . A 26 THR HB . 17645 1 100 . 1 1 11 11 THR HG21 H 1 1.348 . . 1 . . . A 26 THR HG21 . 17645 1 101 . 1 1 11 11 THR HG22 H 1 1.348 . . 1 . . . A 26 THR HG22 . 17645 1 102 . 1 1 11 11 THR HG23 H 1 1.348 . . 1 . . . A 26 THR HG23 . 17645 1 103 . 1 1 11 11 THR CA C 13 66.3000 . . 1 . . . A 26 THR CA . 17645 1 104 . 1 1 11 11 THR CB C 13 69.6900 . . 1 . . . A 26 THR CB . 17645 1 105 . 1 1 11 11 THR CG2 C 13 22.630 . . 1 . . . A 26 THR CG2 . 17645 1 106 . 1 1 11 11 THR N N 15 116.8000 . . 1 . . . A 26 THR N . 17645 1 107 . 1 1 12 12 LEU H H 1 7.9340 . . 1 . . . A 27 LEU H . 17645 1 108 . 1 1 12 12 LEU HA H 1 4.127 . . 1 . . . A 27 LEU HA . 17645 1 109 . 1 1 12 12 LEU HB2 H 1 1.985 . . 2 . . . A 27 LEU HB2 . 17645 1 110 . 1 1 12 12 LEU HB3 H 1 1.676 . . 2 . . . A 27 LEU HB3 . 17645 1 111 . 1 1 12 12 LEU HG H 1 1.818 . . 1 . . . A 27 LEU HG . 17645 1 112 . 1 1 12 12 LEU HD11 H 1 0.906 . . 2 . . . A 27 LEU HD11 . 17645 1 113 . 1 1 12 12 LEU HD12 H 1 0.906 . . 2 . . . A 27 LEU HD12 . 17645 1 114 . 1 1 12 12 LEU HD13 H 1 0.906 . . 2 . . . A 27 LEU HD13 . 17645 1 115 . 1 1 12 12 LEU HD21 H 1 0.746 . . 2 . . . A 27 LEU HD21 . 17645 1 116 . 1 1 12 12 LEU HD22 H 1 0.746 . . 2 . . . A 27 LEU HD22 . 17645 1 117 . 1 1 12 12 LEU HD23 H 1 0.746 . . 2 . . . A 27 LEU HD23 . 17645 1 118 . 1 1 12 12 LEU CA C 13 58.4700 . . 1 . . . A 27 LEU CA . 17645 1 119 . 1 1 12 12 LEU CB C 13 42.8100 . . 1 . . . A 27 LEU CB . 17645 1 120 . 1 1 12 12 LEU CG C 13 27.94 . . 1 . . . A 27 LEU CG . 17645 1 121 . 1 1 12 12 LEU CD1 C 13 26.21 . . 2 . . . A 27 LEU CD1 . 17645 1 122 . 1 1 12 12 LEU CD2 C 13 25.03 . . 2 . . . A 27 LEU CD2 . 17645 1 123 . 1 1 12 12 LEU N N 15 123.9830 . . 1 . . . A 27 LEU N . 17645 1 124 . 1 1 13 13 LYS H H 1 7.8240 . . 1 . . . A 28 LYS H . 17645 1 125 . 1 1 13 13 LYS HA H 1 3.903 . . 1 . . . A 28 LYS HA . 17645 1 126 . 1 1 13 13 LYS HB2 H 1 2.054 . . 2 . . . A 28 LYS HB2 . 17645 1 127 . 1 1 13 13 LYS HB3 H 1 1.882 . . 2 . . . A 28 LYS HB3 . 17645 1 128 . 1 1 13 13 LYS HG2 H 1 1.572 . . 2 . . . A 28 LYS HG2 . 17645 1 129 . 1 1 13 13 LYS HG3 H 1 1.437 . . 2 . . . A 28 LYS HG3 . 17645 1 130 . 1 1 13 13 LYS HD2 H 1 1.757 . . 2 . . . A 28 LYS HD2 . 17645 1 131 . 1 1 13 13 LYS HD3 H 1 1.678 . . 2 . . . A 28 LYS HD3 . 17645 1 132 . 1 1 13 13 LYS HE2 H 1 2.930 . . 2 . . . A 28 LYS HE2 . 17645 1 133 . 1 1 13 13 LYS HE3 H 1 2.930 . . 2 . . . A 28 LYS HE3 . 17645 1 134 . 1 1 13 13 LYS CA C 13 60.1500 . . 1 . . . A 28 LYS CA . 17645 1 135 . 1 1 13 13 LYS CB C 13 32.7300 . . 1 . . . A 28 LYS CB . 17645 1 136 . 1 1 13 13 LYS CG C 13 26.86 . . 1 . . . A 28 LYS CG . 17645 1 137 . 1 1 13 13 LYS CD C 13 29.79 . . 1 . . . A 28 LYS CD . 17645 1 138 . 1 1 13 13 LYS CE C 13 42.81 . . 1 . . . A 28 LYS CE . 17645 1 139 . 1 1 13 13 LYS N N 15 117.5130 . . 1 . . . A 28 LYS N . 17645 1 140 . 1 1 14 14 LYS H H 1 7.6850 . . 1 . . . A 29 LYS H . 17645 1 141 . 1 1 14 14 LYS HA H 1 4.151 . . 1 . . . A 29 LYS HA . 17645 1 142 . 1 1 14 14 LYS HB2 H 1 1.954 . . 2 . . . A 29 LYS HB2 . 17645 1 143 . 1 1 14 14 LYS HB3 H 1 1.954 . . 2 . . . A 29 LYS HB3 . 17645 1 144 . 1 1 14 14 LYS HG2 H 1 1.600 . . 2 . . . A 29 LYS HG2 . 17645 1 145 . 1 1 14 14 LYS HG3 H 1 1.600 . . 2 . . . A 29 LYS HG3 . 17645 1 146 . 1 1 14 14 LYS HD2 H 1 1.710 . . 2 . . . A 29 LYS HD2 . 17645 1 147 . 1 1 14 14 LYS HD3 H 1 1.710 . . 2 . . . A 29 LYS HD3 . 17645 1 148 . 1 1 14 14 LYS HE2 H 1 2.961 . . 2 . . . A 29 LYS HE2 . 17645 1 149 . 1 1 14 14 LYS HE3 H 1 2.961 . . 2 . . . A 29 LYS HE3 . 17645 1 150 . 1 1 14 14 LYS CA C 13 59.4600 . . 1 . . . A 29 LYS CA . 17645 1 151 . 1 1 14 14 LYS CB C 13 32.7500 . . 1 . . . A 29 LYS CB . 17645 1 152 . 1 1 14 14 LYS CG C 13 25.67 . . 1 . . . A 29 LYS CG . 17645 1 153 . 1 1 14 14 LYS CD C 13 29.58 . . 1 . . . A 29 LYS CD . 17645 1 154 . 1 1 14 14 LYS CE C 13 42.44 . . 1 . . . A 29 LYS CE . 17645 1 155 . 1 1 14 14 LYS N N 15 119.2750 . . 1 . . . A 29 LYS N . 17645 1 156 . 1 1 15 15 ARG H H 1 7.7090 . . 1 . . . A 30 ARG H . 17645 1 157 . 1 1 15 15 ARG HA H 1 4.060 . . 1 . . . A 30 ARG HA . 17645 1 158 . 1 1 15 15 ARG HB2 H 1 1.980 . . 2 . . . A 30 ARG HB2 . 17645 1 159 . 1 1 15 15 ARG HB3 H 1 1.910 . . 2 . . . A 30 ARG HB3 . 17645 1 160 . 1 1 15 15 ARG HG2 H 1 1.820 . . 2 . . . A 30 ARG HG2 . 17645 1 161 . 1 1 15 15 ARG HG3 H 1 1.707 . . 2 . . . A 30 ARG HG3 . 17645 1 162 . 1 1 15 15 ARG HD2 H 1 3.170 . . 2 . . . A 30 ARG HD2 . 17645 1 163 . 1 1 15 15 ARG HD3 H 1 3.151 . . 2 . . . A 30 ARG HD3 . 17645 1 164 . 1 1 15 15 ARG CA C 13 59.0300 . . 1 . . . A 30 ARG CA . 17645 1 165 . 1 1 15 15 ARG CB C 13 30.5100 . . 1 . . . A 30 ARG CB . 17645 1 166 . 1 1 15 15 ARG CG C 13 28.460 . . 1 . . . A 30 ARG CG . 17645 1 167 . 1 1 15 15 ARG CD C 13 44.30 . . 1 . . . A 30 ARG CD . 17645 1 168 . 1 1 15 15 ARG N N 15 119.0900 . . 1 . . . A 30 ARG N . 17645 1 169 . 1 1 16 16 LEU H H 1 7.5950 . . 1 . . . A 31 LEU H . 17645 1 170 . 1 1 16 16 LEU HA H 1 3.977 . . 1 . . . A 31 LEU HA . 17645 1 171 . 1 1 16 16 LEU HB2 H 1 1.903 . . 2 . . . A 31 LEU HB2 . 17645 1 172 . 1 1 16 16 LEU HB3 H 1 1.601 . . 2 . . . A 31 LEU HB3 . 17645 1 173 . 1 1 16 16 LEU HG H 1 1.827 . . 1 . . . A 31 LEU HG . 17645 1 174 . 1 1 16 16 LEU HD11 H 1 0.889 . . 2 . . . A 31 LEU HD11 . 17645 1 175 . 1 1 16 16 LEU HD12 H 1 0.889 . . 2 . . . A 31 LEU HD12 . 17645 1 176 . 1 1 16 16 LEU HD13 H 1 0.889 . . 2 . . . A 31 LEU HD13 . 17645 1 177 . 1 1 16 16 LEU HD21 H 1 0.760 . . 2 . . . A 31 LEU HD21 . 17645 1 178 . 1 1 16 16 LEU HD22 H 1 0.760 . . 2 . . . A 31 LEU HD22 . 17645 1 179 . 1 1 16 16 LEU HD23 H 1 0.760 . . 2 . . . A 31 LEU HD23 . 17645 1 180 . 1 1 16 16 LEU CA C 13 58.08 . . 1 . . . A 31 LEU CA . 17645 1 181 . 1 1 16 16 LEU CB C 13 41.3200 . . 1 . . . A 31 LEU CB . 17645 1 182 . 1 1 16 16 LEU CG C 13 28.09 . . 1 . . . A 31 LEU CG . 17645 1 183 . 1 1 16 16 LEU CD1 C 13 26.36 . . 2 . . . A 31 LEU CD1 . 17645 1 184 . 1 1 16 16 LEU CD2 C 13 23.970 . . 2 . . . A 31 LEU CD2 . 17645 1 185 . 1 1 16 16 LEU N N 15 118.4730 . . 1 . . . A 31 LEU N . 17645 1 186 . 1 1 17 17 ASP H H 1 7.8580 . . 1 . . . A 32 ASP H . 17645 1 187 . 1 1 17 17 ASP HA H 1 4.439 . . 1 . . . A 32 ASP HA . 17645 1 188 . 1 1 17 17 ASP HB2 H 1 2.813 . . 2 . . . A 32 ASP HB2 . 17645 1 189 . 1 1 17 17 ASP HB3 H 1 2.731 . . 2 . . . A 32 ASP HB3 . 17645 1 190 . 1 1 17 17 ASP CA C 13 57.9800 . . 1 . . . A 32 ASP CA . 17645 1 191 . 1 1 17 17 ASP CB C 13 40.8800 . . 1 . . . A 32 ASP CB . 17645 1 192 . 1 1 17 17 ASP N N 15 120.0200 . . 1 . . . A 32 ASP N . 17645 1 193 . 1 1 18 18 LYS H H 1 7.5640 . . 1 . . . A 33 LYS H . 17645 1 194 . 1 1 18 18 LYS HA H 1 4.198 . . 1 . . . A 33 LYS HA . 17645 1 195 . 1 1 18 18 LYS HB2 H 1 1.901 . . 2 . . . A 33 LYS HB2 . 17645 1 196 . 1 1 18 18 LYS HB3 H 1 1.901 . . 2 . . . A 33 LYS HB3 . 17645 1 197 . 1 1 18 18 LYS HG2 H 1 1.506 . . 2 . . . A 33 LYS HG2 . 17645 1 198 . 1 1 18 18 LYS HG3 H 1 1.506 . . 2 . . . A 33 LYS HG3 . 17645 1 199 . 1 1 18 18 LYS HD2 H 1 1.676 . . 2 . . . A 33 LYS HD2 . 17645 1 200 . 1 1 18 18 LYS HD3 H 1 1.676 . . 2 . . . A 33 LYS HD3 . 17645 1 201 . 1 1 18 18 LYS HE2 H 1 2.913 . . 2 . . . A 33 LYS HE2 . 17645 1 202 . 1 1 18 18 LYS HE3 H 1 2.913 . . 2 . . . A 33 LYS HE3 . 17645 1 203 . 1 1 18 18 LYS CA C 13 58.4700 . . 1 . . . A 33 LYS CA . 17645 1 204 . 1 1 18 18 LYS CB C 13 32.1900 . . 1 . . . A 33 LYS CB . 17645 1 205 . 1 1 18 18 LYS CG C 13 25.29 . . 1 . . . A 33 LYS CG . 17645 1 206 . 1 1 18 18 LYS CD C 13 29.02 . . 1 . . . A 33 LYS CD . 17645 1 207 . 1 1 18 18 LYS CE C 13 42.51 . . 1 . . . A 33 LYS CE . 17645 1 208 . 1 1 18 18 LYS N N 15 119.7080 . . 1 . . . A 33 LYS N . 17645 1 209 . 1 1 19 19 PHE H H 1 7.8840 . . 1 . . . A 34 PHE H . 17645 1 210 . 1 1 19 19 PHE HA H 1 4.251 . . 1 . . . A 34 PHE HA . 17645 1 211 . 1 1 19 19 PHE HB2 H 1 3.373 . . 2 . . . A 34 PHE HB2 . 17645 1 212 . 1 1 19 19 PHE HB3 H 1 3.058 . . 2 . . . A 34 PHE HB3 . 17645 1 213 . 1 1 19 19 PHE CA C 13 60.7100 . . 1 . . . A 34 PHE CA . 17645 1 214 . 1 1 19 19 PHE CB C 13 38.7500 . . 1 . . . A 34 PHE CB . 17645 1 215 . 1 1 19 19 PHE N N 15 118.2560 . . 1 . . . A 34 PHE N . 17645 1 216 . 1 1 20 20 ASN H H 1 8.0540 . . 1 . . . A 35 ASN H . 17645 1 217 . 1 1 20 20 ASN HA H 1 4.460 . . 1 . . . A 35 ASN HA . 17645 1 218 . 1 1 20 20 ASN HB2 H 1 2.932 . . 2 . . . A 35 ASN HB2 . 17645 1 219 . 1 1 20 20 ASN HB3 H 1 2.838 . . 2 . . . A 35 ASN HB3 . 17645 1 220 . 1 1 20 20 ASN CA C 13 57.3500 . . 1 . . . A 35 ASN CA . 17645 1 221 . 1 1 20 20 ASN CB C 13 39.0000 . . 1 . . . A 35 ASN CB . 17645 1 222 . 1 1 20 20 ASN N N 15 117.7790 . . 1 . . . A 35 ASN N . 17645 1 223 . 1 1 21 21 GLU H H 1 7.9830 . . 1 . . . A 36 GLU H . 17645 1 224 . 1 1 21 21 GLU HA H 1 4.106 . . 1 . . . A 36 GLU HA . 17645 1 225 . 1 1 21 21 GLU HB2 H 1 2.159 . . 2 . . . A 36 GLU HB2 . 17645 1 226 . 1 1 21 21 GLU HB3 H 1 2.159 . . 2 . . . A 36 GLU HB3 . 17645 1 227 . 1 1 21 21 GLU HG2 H 1 2.376 . . 2 . . . A 36 GLU HG2 . 17645 1 228 . 1 1 21 21 GLU HG3 H 1 2.376 . . 2 . . . A 36 GLU HG3 . 17645 1 229 . 1 1 21 21 GLU CA C 13 59.7700 . . 1 . . . A 36 GLU CA . 17645 1 230 . 1 1 21 21 GLU CB C 13 30.5100 . . 1 . . . A 36 GLU CB . 17645 1 231 . 1 1 21 21 GLU CG C 13 37.04 . . 1 . . . A 36 GLU CG . 17645 1 232 . 1 1 21 21 GLU N N 15 120.3120 . . 1 . . . A 36 GLU N . 17645 1 233 . 1 1 22 22 VAL H H 1 7.6700 . . 1 . . . A 37 VAL H . 17645 1 234 . 1 1 22 22 VAL HA H 1 3.842 . . 1 . . . A 37 VAL HA . 17645 1 235 . 1 1 22 22 VAL HB H 1 2.176 . . 1 . . . A 37 VAL HB . 17645 1 236 . 1 1 22 22 VAL HG11 H 1 0.917 . . 2 . . . A 37 VAL HG11 . 17645 1 237 . 1 1 22 22 VAL HG12 H 1 0.917 . . 2 . . . A 37 VAL HG12 . 17645 1 238 . 1 1 22 22 VAL HG13 H 1 0.917 . . 2 . . . A 37 VAL HG13 . 17645 1 239 . 1 1 22 22 VAL HG21 H 1 1.042 . . 2 . . . A 37 VAL HG21 . 17645 1 240 . 1 1 22 22 VAL HG22 H 1 1.042 . . 2 . . . A 37 VAL HG22 . 17645 1 241 . 1 1 22 22 VAL HG23 H 1 1.042 . . 2 . . . A 37 VAL HG23 . 17645 1 242 . 1 1 22 22 VAL CA C 13 66.1100 . . 1 . . . A 37 VAL CA . 17645 1 243 . 1 1 22 22 VAL CB C 13 32.6800 . . 1 . . . A 37 VAL CB . 17645 1 244 . 1 1 22 22 VAL CG1 C 13 22.81 . . 2 . . . A 37 VAL CG1 . 17645 1 245 . 1 1 22 22 VAL CG2 C 13 23.06 . . 2 . . . A 37 VAL CG2 . 17645 1 246 . 1 1 22 22 VAL N N 15 119.7560 . . 1 . . . A 37 VAL N . 17645 1 247 . 1 1 23 23 VAL H H 1 8.1590 . . 1 . . . A 38 VAL H . 17645 1 248 . 1 1 23 23 VAL HA H 1 3.677 . . 1 . . . A 38 VAL HA . 17645 1 249 . 1 1 23 23 VAL HB H 1 2.155 . . 1 . . . A 38 VAL HB . 17645 1 250 . 1 1 23 23 VAL HG11 H 1 0.989 . . 2 . . . A 38 VAL HG11 . 17645 1 251 . 1 1 23 23 VAL HG12 H 1 0.989 . . 2 . . . A 38 VAL HG12 . 17645 1 252 . 1 1 23 23 VAL HG13 H 1 0.989 . . 2 . . . A 38 VAL HG13 . 17645 1 253 . 1 1 23 23 VAL HG21 H 1 1.026 . . 2 . . . A 38 VAL HG21 . 17645 1 254 . 1 1 23 23 VAL HG22 H 1 1.026 . . 2 . . . A 38 VAL HG22 . 17645 1 255 . 1 1 23 23 VAL HG23 H 1 1.026 . . 2 . . . A 38 VAL HG23 . 17645 1 256 . 1 1 23 23 VAL CA C 13 66.5500 . . 1 . . . A 38 VAL CA . 17645 1 257 . 1 1 23 23 VAL CB C 13 32.4800 . . 1 . . . A 38 VAL CB . 17645 1 258 . 1 1 23 23 VAL CG1 C 13 22.43 . . 2 . . . A 38 VAL CG1 . 17645 1 259 . 1 1 23 23 VAL CG2 C 13 24.32 . . 2 . . . A 38 VAL CG2 . 17645 1 260 . 1 1 23 23 VAL N N 15 118.3000 . . 1 . . . A 38 VAL N . 17645 1 261 . 1 1 24 24 SER H H 1 7.7730 . . 1 . . . A 39 SER H . 17645 1 262 . 1 1 24 24 SER HA H 1 4.170 . . 1 . . . A 39 SER HA . 17645 1 263 . 1 1 24 24 SER HB2 H 1 3.971 . . 2 . . . A 39 SER HB2 . 17645 1 264 . 1 1 24 24 SER HB3 H 1 3.971 . . 2 . . . A 39 SER HB3 . 17645 1 265 . 1 1 24 24 SER CA C 13 61.8800 . . 1 . . . A 39 SER CA . 17645 1 266 . 1 1 24 24 SER CB C 13 63.7400 . . 1 . . . A 39 SER CB . 17645 1 267 . 1 1 24 24 SER N N 15 113.9520 . . 1 . . . A 39 SER N . 17645 1 268 . 1 1 25 25 ALA H H 1 7.4360 . . 1 . . . A 40 ALA H . 17645 1 269 . 1 1 25 25 ALA HA H 1 4.425 . . 1 . . . A 40 ALA HA . 17645 1 270 . 1 1 25 25 ALA HB1 H 1 1.495 . . 1 . . . A 40 ALA HB1 . 17645 1 271 . 1 1 25 25 ALA HB2 H 1 1.495 . . 1 . . . A 40 ALA HB2 . 17645 1 272 . 1 1 25 25 ALA HB3 H 1 1.495 . . 1 . . . A 40 ALA HB3 . 17645 1 273 . 1 1 25 25 ALA CA C 13 52.8800 . . 1 . . . A 40 ALA CA . 17645 1 274 . 1 1 25 25 ALA CB C 13 20.4500 . . 1 . . . A 40 ALA CB . 17645 1 275 . 1 1 25 25 ALA N N 15 122.5720 . . 1 . . . A 40 ALA N . 17645 1 276 . 1 1 26 26 LEU H H 1 7.4990 . . 1 . . . A 41 LEU H . 17645 1 277 . 1 1 26 26 LEU HA H 1 4.381 . . 1 . . . A 41 LEU HA . 17645 1 278 . 1 1 26 26 LEU HB2 H 1 1.826 . . 2 . . . A 41 LEU HB2 . 17645 1 279 . 1 1 26 26 LEU HB3 H 1 1.591 . . 2 . . . A 41 LEU HB3 . 17645 1 280 . 1 1 26 26 LEU HG H 1 2.010 . . 1 . . . A 41 LEU HG . 17645 1 281 . 1 1 26 26 LEU HD11 H 1 0.914 . . 2 . . . A 41 LEU HD11 . 17645 1 282 . 1 1 26 26 LEU HD12 H 1 0.914 . . 2 . . . A 41 LEU HD12 . 17645 1 283 . 1 1 26 26 LEU HD13 H 1 0.914 . . 2 . . . A 41 LEU HD13 . 17645 1 284 . 1 1 26 26 LEU HD21 H 1 0.829 . . 2 . . . A 41 LEU HD21 . 17645 1 285 . 1 1 26 26 LEU HD22 H 1 0.829 . . 2 . . . A 41 LEU HD22 . 17645 1 286 . 1 1 26 26 LEU HD23 H 1 0.829 . . 2 . . . A 41 LEU HD23 . 17645 1 287 . 1 1 26 26 LEU CA C 13 55.8600 . . 1 . . . A 41 LEU CA . 17645 1 288 . 1 1 26 26 LEU CB C 13 43.1900 . . 1 . . . A 41 LEU CB . 17645 1 289 . 1 1 26 26 LEU CG C 13 27.16 . . 1 . . . A 41 LEU CG . 17645 1 290 . 1 1 26 26 LEU CD1 C 13 26.81 . . 2 . . . A 41 LEU CD1 . 17645 1 291 . 1 1 26 26 LEU CD2 C 13 23.38 . . 2 . . . A 41 LEU CD2 . 17645 1 292 . 1 1 26 26 LEU N N 15 120.6770 . . 1 . . . A 41 LEU N . 17645 1 293 . 1 1 27 27 LYS HA H 1 4.285 . . 1 . . . A 42 LYS HA . 17645 1 294 . 1 1 27 27 LYS HB2 H 1 1.816 . . 2 . . . A 42 LYS HB2 . 17645 1 295 . 1 1 27 27 LYS HB3 H 1 1.816 . . 2 . . . A 42 LYS HB3 . 17645 1 296 . 1 1 27 27 LYS HG2 H 1 1.515 . . 2 . . . A 42 LYS HG2 . 17645 1 297 . 1 1 27 27 LYS HG3 H 1 1.418 . . 2 . . . A 42 LYS HG3 . 17645 1 298 . 1 1 27 27 LYS HD2 H 1 1.667 . . 2 . . . A 42 LYS HD2 . 17645 1 299 . 1 1 27 27 LYS HD3 H 1 1.667 . . 2 . . . A 42 LYS HD3 . 17645 1 300 . 1 1 27 27 LYS HE2 H 1 2.987 . . 2 . . . A 42 LYS HE2 . 17645 1 301 . 1 1 27 27 LYS HE3 H 1 2.987 . . 2 . . . A 42 LYS HE3 . 17645 1 302 . 1 1 27 27 LYS CA C 13 58.2500 . . 1 . . . A 42 LYS CA . 17645 1 303 . 1 1 27 27 LYS CB C 13 33.8700 . . 1 . . . A 42 LYS CB . 17645 1 304 . 1 1 27 27 LYS CG C 13 25.820 . . 1 . . . A 42 LYS CG . 17645 1 305 . 1 1 27 27 LYS CD C 13 29.60 . . 1 . . . A 42 LYS CD . 17645 1 306 . 1 1 27 27 LYS CE C 13 42.58 . . 1 . . . A 42 LYS CE . 17645 1 307 . 1 1 28 28 ASP H H 1 8.5130 . . 1 . . . A 43 ASP H . 17645 1 308 . 1 1 28 28 ASP HA H 1 4.801 . . 1 . . . A 43 ASP HA . 17645 1 309 . 1 1 28 28 ASP HB2 H 1 2.634 . . 2 . . . A 43 ASP HB2 . 17645 1 310 . 1 1 28 28 ASP HB3 H 1 2.634 . . 2 . . . A 43 ASP HB3 . 17645 1 311 . 1 1 28 28 ASP CA C 13 54.5600 . . 1 . . . A 43 ASP CA . 17645 1 312 . 1 1 28 28 ASP CB C 13 43.4400 . . 1 . . . A 43 ASP CB . 17645 1 313 . 1 1 28 28 ASP N N 15 120.9890 . . 1 . . . A 43 ASP N . 17645 1 314 . 1 1 29 29 GLY H H 1 8.4250 . . 1 . . . A 44 GLY H . 17645 1 315 . 1 1 29 29 GLY HA2 H 1 3.948 . . 2 . . . A 44 GLY HA2 . 17645 1 316 . 1 1 29 29 GLY HA3 H 1 3.948 . . 2 . . . A 44 GLY HA3 . 17645 1 317 . 1 1 29 29 GLY CA C 13 46.5400 . . 1 . . . A 44 GLY CA . 17645 1 318 . 1 1 29 29 GLY N N 15 108.3790 . . 1 . . . A 44 GLY N . 17645 1 319 . 1 1 30 30 LYS H H 1 8.2690 . . 1 . . . A 45 LYS H . 17645 1 320 . 1 1 30 30 LYS HA H 1 4.079 . . 1 . . . A 45 LYS HA . 17645 1 321 . 1 1 30 30 LYS HB2 H 1 1.853 . . 2 . . . A 45 LYS HB2 . 17645 1 322 . 1 1 30 30 LYS HB3 H 1 1.788 . . 2 . . . A 45 LYS HB3 . 17645 1 323 . 1 1 30 30 LYS HG2 H 1 1.385 . . 2 . . . A 45 LYS HG2 . 17645 1 324 . 1 1 30 30 LYS HG3 H 1 1.385 . . 2 . . . A 45 LYS HG3 . 17645 1 325 . 1 1 30 30 LYS HD2 H 1 1.695 . . 2 . . . A 45 LYS HD2 . 17645 1 326 . 1 1 30 30 LYS HD3 H 1 1.695 . . 2 . . . A 45 LYS HD3 . 17645 1 327 . 1 1 30 30 LYS HE2 H 1 3.034 . . 2 . . . A 45 LYS HE2 . 17645 1 328 . 1 1 30 30 LYS HE3 H 1 3.034 . . 2 . . . A 45 LYS HE3 . 17645 1 329 . 1 1 30 30 LYS CA C 13 60.52 . . 1 . . . A 45 LYS CA . 17645 1 330 . 1 1 30 30 LYS CB C 13 31.07 . . 1 . . . A 45 LYS CB . 17645 1 331 . 1 1 30 30 LYS CG C 13 26.23 . . 1 . . . A 45 LYS CG . 17645 1 332 . 1 1 30 30 LYS CD C 13 29.58 . . 1 . . . A 45 LYS CD . 17645 1 333 . 1 1 30 30 LYS CE C 13 42.44 . . 1 . . . A 45 LYS CE . 17645 1 334 . 1 1 30 30 LYS N N 15 119.9320 . . 1 . . . A 45 LYS N . 17645 1 335 . 1 1 31 31 PRO HA H 1 4.308 . . 1 . . . A 46 PRO HA . 17645 1 336 . 1 1 31 31 PRO HB2 H 1 1.863 . . 2 . . . A 46 PRO HB2 . 17645 1 337 . 1 1 31 31 PRO HB3 H 1 2.330 . . 2 . . . A 46 PRO HB3 . 17645 1 338 . 1 1 31 31 PRO HG2 H 1 2.167 . . 2 . . . A 46 PRO HG2 . 17645 1 339 . 1 1 31 31 PRO HG3 H 1 1.955 . . 2 . . . A 46 PRO HG3 . 17645 1 340 . 1 1 31 31 PRO HD2 H 1 3.776 . . 2 . . . A 46 PRO HD2 . 17645 1 341 . 1 1 31 31 PRO HD3 H 1 3.724 . . 2 . . . A 46 PRO HD3 . 17645 1 342 . 1 1 31 31 PRO CA C 13 67.04 . . 1 . . . A 46 PRO CA . 17645 1 343 . 1 1 31 31 PRO CB C 13 31.82 . . 1 . . . A 46 PRO CB . 17645 1 344 . 1 1 31 31 PRO CG C 13 28.95 . . 1 . . . A 46 PRO CG . 17645 1 345 . 1 1 31 31 PRO CD C 13 51.01 . . 1 . . . A 46 PRO CD . 17645 1 346 . 1 1 32 32 GLU H H 1 8.1890 . . 1 . . . A 47 GLU H . 17645 1 347 . 1 1 32 32 GLU HA H 1 4.133 . . 1 . . . A 47 GLU HA . 17645 1 348 . 1 1 32 32 GLU HB2 H 1 2.107 . . 2 . . . A 47 GLU HB2 . 17645 1 349 . 1 1 32 32 GLU HB3 H 1 1.963 . . 2 . . . A 47 GLU HB3 . 17645 1 350 . 1 1 32 32 GLU HG2 H 1 2.353 . . 2 . . . A 47 GLU HG2 . 17645 1 351 . 1 1 32 32 GLU HG3 H 1 2.353 . . 2 . . . A 47 GLU HG3 . 17645 1 352 . 1 1 32 32 GLU CA C 13 60.1700 . . 1 . . . A 47 GLU CA . 17645 1 353 . 1 1 32 32 GLU CB C 13 29.9100 . . 1 . . . A 47 GLU CB . 17645 1 354 . 1 1 32 32 GLU CG C 13 37.04 . . 1 . . . A 47 GLU CG . 17645 1 355 . 1 1 32 32 GLU N N 15 118.5260 . . 1 . . . A 47 GLU N . 17645 1 356 . 1 1 33 33 VAL H H 1 7.7440 . . 1 . . . A 48 VAL H . 17645 1 357 . 1 1 33 33 VAL HA H 1 3.912 . . 1 . . . A 48 VAL HA . 17645 1 358 . 1 1 33 33 VAL HB H 1 2.118 . . 1 . . . A 48 VAL HB . 17645 1 359 . 1 1 33 33 VAL HG11 H 1 0.960 . . 2 . . . A 48 VAL HG11 . 17645 1 360 . 1 1 33 33 VAL HG12 H 1 0.960 . . 2 . . . A 48 VAL HG12 . 17645 1 361 . 1 1 33 33 VAL HG13 H 1 0.960 . . 2 . . . A 48 VAL HG13 . 17645 1 362 . 1 1 33 33 VAL HG21 H 1 1.016 . . 2 . . . A 48 VAL HG21 . 17645 1 363 . 1 1 33 33 VAL HG22 H 1 1.016 . . 2 . . . A 48 VAL HG22 . 17645 1 364 . 1 1 33 33 VAL HG23 H 1 1.016 . . 2 . . . A 48 VAL HG23 . 17645 1 365 . 1 1 33 33 VAL CA C 13 66.3000 . . 1 . . . A 48 VAL CA . 17645 1 366 . 1 1 33 33 VAL CB C 13 32.3600 . . 1 . . . A 48 VAL CB . 17645 1 367 . 1 1 33 33 VAL CG1 C 13 23.43 . . 2 . . . A 48 VAL CG1 . 17645 1 368 . 1 1 33 33 VAL CG2 C 13 23.07 . . 2 . . . A 48 VAL CG2 . 17645 1 369 . 1 1 33 33 VAL N N 15 120.1830 . . 1 . . . A 48 VAL N . 17645 1 370 . 1 1 34 34 ASN H H 1 8.5820 . . 1 . . . A 49 ASN H . 17645 1 371 . 1 1 34 34 ASN HA H 1 4.450 . . 1 . . . A 49 ASN HA . 17645 1 372 . 1 1 34 34 ASN HB2 H 1 2.839 . . 2 . . . A 49 ASN HB2 . 17645 1 373 . 1 1 34 34 ASN HB3 H 1 2.708 . . 2 . . . A 49 ASN HB3 . 17645 1 374 . 1 1 34 34 ASN CA C 13 57.0500 . . 1 . . . A 49 ASN CA . 17645 1 375 . 1 1 34 34 ASN CB C 13 38.6500 . . 1 . . . A 49 ASN CB . 17645 1 376 . 1 1 34 34 ASN N N 15 119.7000 . . 1 . . . A 49 ASN N . 17645 1 377 . 1 1 35 35 ARG H H 1 7.8480 . . 1 . . . A 50 ARG H . 17645 1 378 . 1 1 35 35 ARG HA H 1 4.137 . . 1 . . . A 50 ARG HA . 17645 1 379 . 1 1 35 35 ARG HB2 H 1 1.945 . . 2 . . . A 50 ARG HB2 . 17645 1 380 . 1 1 35 35 ARG HB3 H 1 1.945 . . 2 . . . A 50 ARG HB3 . 17645 1 381 . 1 1 35 35 ARG HG2 H 1 1.733 . . 2 . . . A 50 ARG HG2 . 17645 1 382 . 1 1 35 35 ARG HG3 H 1 1.592 . . 2 . . . A 50 ARG HG3 . 17645 1 383 . 1 1 35 35 ARG HD2 H 1 3.224 . . 2 . . . A 50 ARG HD2 . 17645 1 384 . 1 1 35 35 ARG HD3 H 1 3.224 . . 2 . . . A 50 ARG HD3 . 17645 1 385 . 1 1 35 35 ARG CA C 13 59.7700 . . 1 . . . A 50 ARG CA . 17645 1 386 . 1 1 35 35 ARG CB C 13 30.7700 . . 1 . . . A 50 ARG CB . 17645 1 387 . 1 1 35 35 ARG CG C 13 27.780 . . 1 . . . A 50 ARG CG . 17645 1 388 . 1 1 35 35 ARG CD C 13 43.970 . . 1 . . . A 50 ARG CD . 17645 1 389 . 1 1 35 35 ARG N N 15 121.0090 . . 1 . . . A 50 ARG N . 17645 1 390 . 1 1 36 36 GLN H H 1 7.6850 . . 1 . . . A 51 GLN H . 17645 1 391 . 1 1 36 36 GLN HA H 1 4.063 . . 1 . . . A 51 GLN HA . 17645 1 392 . 1 1 36 36 GLN HB2 H 1 2.347 . . 2 . . . A 51 GLN HB2 . 17645 1 393 . 1 1 36 36 GLN HB3 H 1 2.107 . . 2 . . . A 51 GLN HB3 . 17645 1 394 . 1 1 36 36 GLN HG2 H 1 2.600 . . 2 . . . A 51 GLN HG2 . 17645 1 395 . 1 1 36 36 GLN HG3 H 1 2.366 . . 2 . . . A 51 GLN HG3 . 17645 1 396 . 1 1 36 36 GLN CA C 13 60.0100 . . 1 . . . A 51 GLN CA . 17645 1 397 . 1 1 36 36 GLN CB C 13 29.7700 . . 1 . . . A 51 GLN CB . 17645 1 398 . 1 1 36 36 GLN CG C 13 35.16 . . 1 . . . A 51 GLN CG . 17645 1 399 . 1 1 36 36 GLN N N 15 119.3940 . . 1 . . . A 51 GLN N . 17645 1 400 . 1 1 37 37 ILE H H 1 8.2930 . . 1 . . . A 52 ILE H . 17645 1 401 . 1 1 37 37 ILE HA H 1 3.454 . . 1 . . . A 52 ILE HA . 17645 1 402 . 1 1 37 37 ILE HB H 1 1.894 . . 1 . . . A 52 ILE HB . 17645 1 403 . 1 1 37 37 ILE HG12 H 1 1.788 . . 2 . . . A 52 ILE HG12 . 17645 1 404 . 1 1 37 37 ILE HG13 H 1 0.719 . . 2 . . . A 52 ILE HG13 . 17645 1 405 . 1 1 37 37 ILE HG21 H 1 0.912 . . 1 . . . A 52 ILE HG21 . 17645 1 406 . 1 1 37 37 ILE HG22 H 1 0.912 . . 1 . . . A 52 ILE HG22 . 17645 1 407 . 1 1 37 37 ILE HG23 H 1 0.912 . . 1 . . . A 52 ILE HG23 . 17645 1 408 . 1 1 37 37 ILE HD11 H 1 0.820 . . 1 . . . A 52 ILE HD11 . 17645 1 409 . 1 1 37 37 ILE HD12 H 1 0.820 . . 1 . . . A 52 ILE HD12 . 17645 1 410 . 1 1 37 37 ILE HD13 H 1 0.820 . . 1 . . . A 52 ILE HD13 . 17645 1 411 . 1 1 37 37 ILE CA C 13 66.3000 . . 1 . . . A 52 ILE CA . 17645 1 412 . 1 1 37 37 ILE CB C 13 38.9000 . . 1 . . . A 52 ILE CB . 17645 1 413 . 1 1 37 37 ILE CG1 C 13 30.51 . . 1 . . . A 52 ILE CG1 . 17645 1 414 . 1 1 37 37 ILE CG2 C 13 18.17 . . 1 . . . A 52 ILE CG2 . 17645 1 415 . 1 1 37 37 ILE CD1 C 13 15.49 . . 1 . . . A 52 ILE CD1 . 17645 1 416 . 1 1 37 37 ILE N N 15 122.0060 . . 1 . . . A 52 ILE N . 17645 1 417 . 1 1 38 38 LYS H H 1 8.1690 . . 1 . . . A 53 LYS H . 17645 1 418 . 1 1 38 38 LYS HA H 1 4.171 . . 1 . . . A 53 LYS HA . 17645 1 419 . 1 1 38 38 LYS HB2 H 1 1.915 . . 2 . . . A 53 LYS HB2 . 17645 1 420 . 1 1 38 38 LYS HB3 H 1 1.915 . . 2 . . . A 53 LYS HB3 . 17645 1 421 . 1 1 38 38 LYS HG2 H 1 1.510 . . 2 . . . A 53 LYS HG2 . 17645 1 422 . 1 1 38 38 LYS HG3 H 1 1.510 . . 2 . . . A 53 LYS HG3 . 17645 1 423 . 1 1 38 38 LYS HD2 H 1 1.724 . . 2 . . . A 53 LYS HD2 . 17645 1 424 . 1 1 38 38 LYS HD3 H 1 1.724 . . 2 . . . A 53 LYS HD3 . 17645 1 425 . 1 1 38 38 LYS HE2 H 1 2.917 . . 2 . . . A 53 LYS HE2 . 17645 1 426 . 1 1 38 38 LYS HE3 H 1 2.917 . . 2 . . . A 53 LYS HE3 . 17645 1 427 . 1 1 38 38 LYS CA C 13 59.0500 . . 1 . . . A 53 LYS CA . 17645 1 428 . 1 1 38 38 LYS CB C 13 31.9300 . . 1 . . . A 53 LYS CB . 17645 1 429 . 1 1 38 38 LYS CG C 13 25.40 . . 1 . . . A 53 LYS CG . 17645 1 430 . 1 1 38 38 LYS CD C 13 29.02 . . 1 . . . A 53 LYS CD . 17645 1 431 . 1 1 38 38 LYS CE C 13 42.67 . . 1 . . . A 53 LYS CE . 17645 1 432 . 1 1 38 38 LYS N N 15 121.1630 . . 1 . . . A 53 LYS N . 17645 1 433 . 1 1 39 39 ASN H H 1 8.1710 . . 1 . . . A 54 ASN H . 17645 1 434 . 1 1 39 39 ASN HA H 1 4.483 . . 1 . . . A 54 ASN HA . 17645 1 435 . 1 1 39 39 ASN HB2 H 1 2.872 . . 2 . . . A 54 ASN HB2 . 17645 1 436 . 1 1 39 39 ASN HB3 H 1 2.809 . . 2 . . . A 54 ASN HB3 . 17645 1 437 . 1 1 39 39 ASN CA C 13 56.6100 . . 1 . . . A 54 ASN CA . 17645 1 438 . 1 1 39 39 ASN CB C 13 38.4400 . . 1 . . . A 54 ASN CB . 17645 1 439 . 1 1 39 39 ASN N N 15 117.2190 . . 1 . . . A 54 ASN N . 17645 1 440 . 1 1 40 40 LEU H H 1 7.7020 . . 1 . . . A 55 LEU H . 17645 1 441 . 1 1 40 40 LEU HA H 1 4.205 . . 1 . . . A 55 LEU HA . 17645 1 442 . 1 1 40 40 LEU HB2 H 1 1.863 . . 2 . . . A 55 LEU HB2 . 17645 1 443 . 1 1 40 40 LEU HB3 H 1 1.707 . . 2 . . . A 55 LEU HB3 . 17645 1 444 . 1 1 40 40 LEU HG H 1 1.626 . . 1 . . . A 55 LEU HG . 17645 1 445 . 1 1 40 40 LEU HD11 H 1 0.915 . . 2 . . . A 55 LEU HD11 . 17645 1 446 . 1 1 40 40 LEU HD12 H 1 0.915 . . 2 . . . A 55 LEU HD12 . 17645 1 447 . 1 1 40 40 LEU HD13 H 1 0.915 . . 2 . . . A 55 LEU HD13 . 17645 1 448 . 1 1 40 40 LEU HD21 H 1 0.827 . . 2 . . . A 55 LEU HD21 . 17645 1 449 . 1 1 40 40 LEU HD22 H 1 0.827 . . 2 . . . A 55 LEU HD22 . 17645 1 450 . 1 1 40 40 LEU HD23 H 1 0.827 . . 2 . . . A 55 LEU HD23 . 17645 1 451 . 1 1 40 40 LEU CA C 13 58.8400 . . 1 . . . A 55 LEU CA . 17645 1 452 . 1 1 40 40 LEU CB C 13 42.070 . . 1 . . . A 55 LEU CB . 17645 1 453 . 1 1 40 40 LEU CG C 13 27.98 . . 1 . . . A 55 LEU CG . 17645 1 454 . 1 1 40 40 LEU CD1 C 13 24.74 . . 2 . . . A 55 LEU CD1 . 17645 1 455 . 1 1 40 40 LEU CD2 C 13 26.66 . . 2 . . . A 55 LEU CD2 . 17645 1 456 . 1 1 40 40 LEU N N 15 123.9070 . . 1 . . . A 55 LEU N . 17645 1 457 . 1 1 41 41 GLU H H 1 8.4420 . . 1 . . . A 56 GLU H . 17645 1 458 . 1 1 41 41 GLU HA H 1 3.702 . . 1 . . . A 56 GLU HA . 17645 1 459 . 1 1 41 41 GLU HB2 H 1 2.315 . . 2 . . . A 56 GLU HB2 . 17645 1 460 . 1 1 41 41 GLU HB3 H 1 2.200 . . 2 . . . A 56 GLU HB3 . 17645 1 461 . 1 1 41 41 GLU HG2 H 1 2.175 . . 2 . . . A 56 GLU HG2 . 17645 1 462 . 1 1 41 41 GLU HG3 H 1 2.175 . . 2 . . . A 56 GLU HG3 . 17645 1 463 . 1 1 41 41 GLU CA C 13 61.4500 . . 1 . . . A 56 GLU CA . 17645 1 464 . 1 1 41 41 GLU CB C 13 30.3300 . . 1 . . . A 56 GLU CB . 17645 1 465 . 1 1 41 41 GLU CG C 13 37.22 . . 1 . . . A 56 GLU CG . 17645 1 466 . 1 1 41 41 GLU N N 15 121.7790 . . 1 . . . A 56 GLU N . 17645 1 467 . 1 1 42 42 ILE H H 1 8.5310 . . 1 . . . A 57 ILE H . 17645 1 468 . 1 1 42 42 ILE HA H 1 3.883 . . 1 . . . A 57 ILE HA . 17645 1 469 . 1 1 42 42 ILE HB H 1 1.995 . . 1 . . . A 57 ILE HB . 17645 1 470 . 1 1 42 42 ILE HG12 H 1 1.815 . . 2 . . . A 57 ILE HG12 . 17645 1 471 . 1 1 42 42 ILE HG13 H 1 1.217 . . 2 . . . A 57 ILE HG13 . 17645 1 472 . 1 1 42 42 ILE HG21 H 1 0.955 . . 1 . . . A 57 ILE HG21 . 17645 1 473 . 1 1 42 42 ILE HG22 H 1 0.955 . . 1 . . . A 57 ILE HG22 . 17645 1 474 . 1 1 42 42 ILE HG23 H 1 0.955 . . 1 . . . A 57 ILE HG23 . 17645 1 475 . 1 1 42 42 ILE HD11 H 1 0.893 . . 1 . . . A 57 ILE HD11 . 17645 1 476 . 1 1 42 42 ILE HD12 H 1 0.893 . . 1 . . . A 57 ILE HD12 . 17645 1 477 . 1 1 42 42 ILE HD13 H 1 0.893 . . 1 . . . A 57 ILE HD13 . 17645 1 478 . 1 1 42 42 ILE CA C 13 65.5500 . . 1 . . . A 57 ILE CA . 17645 1 479 . 1 1 42 42 ILE CB C 13 38.9500 . . 1 . . . A 57 ILE CB . 17645 1 480 . 1 1 42 42 ILE CG1 C 13 30.11 . . 1 . . . A 57 ILE CG1 . 17645 1 481 . 1 1 42 42 ILE CG2 C 13 17.84 . . 1 . . . A 57 ILE CG2 . 17645 1 482 . 1 1 42 42 ILE CD1 C 13 14.31 . . 1 . . . A 57 ILE CD1 . 17645 1 483 . 1 1 42 42 ILE N N 15 119.1330 . . 1 . . . A 57 ILE N . 17645 1 484 . 1 1 43 43 SER H H 1 8.0270 . . 1 . . . A 58 SER H . 17645 1 485 . 1 1 43 43 SER HA H 1 4.322 . . 1 . . . A 58 SER HA . 17645 1 486 . 1 1 43 43 SER HB2 H 1 4.157 . . 2 . . . A 58 SER HB2 . 17645 1 487 . 1 1 43 43 SER HB3 H 1 4.157 . . 2 . . . A 58 SER HB3 . 17645 1 488 . 1 1 43 43 SER CA C 13 62.9400 . . 1 . . . A 58 SER CA . 17645 1 489 . 1 1 43 43 SER CB C 13 63.5000 . . 1 . . . A 58 SER CB . 17645 1 490 . 1 1 43 43 SER N N 15 118.6220 . . 1 . . . A 58 SER N . 17645 1 491 . 1 1 44 44 ILE H H 1 8.5430 . . 1 . . . A 59 ILE H . 17645 1 492 . 1 1 44 44 ILE HA H 1 3.628 . . 1 . . . A 59 ILE HA . 17645 1 493 . 1 1 44 44 ILE HB H 1 1.978 . . 1 . . . A 59 ILE HB . 17645 1 494 . 1 1 44 44 ILE HG12 H 1 1.686 . . 2 . . . A 59 ILE HG12 . 17645 1 495 . 1 1 44 44 ILE HG13 H 1 1.633 . . 2 . . . A 59 ILE HG13 . 17645 1 496 . 1 1 44 44 ILE HG21 H 1 0.924 . . 1 . . . A 59 ILE HG21 . 17645 1 497 . 1 1 44 44 ILE HG22 H 1 0.924 . . 1 . . . A 59 ILE HG22 . 17645 1 498 . 1 1 44 44 ILE HG23 H 1 0.924 . . 1 . . . A 59 ILE HG23 . 17645 1 499 . 1 1 44 44 ILE HD11 H 1 0.743 . . 1 . . . A 59 ILE HD11 . 17645 1 500 . 1 1 44 44 ILE HD12 H 1 0.743 . . 1 . . . A 59 ILE HD12 . 17645 1 501 . 1 1 44 44 ILE HD13 H 1 0.743 . . 1 . . . A 59 ILE HD13 . 17645 1 502 . 1 1 44 44 ILE CA C 13 66.9100 . . 1 . . . A 59 ILE CA . 17645 1 503 . 1 1 44 44 ILE CB C 13 39.1600 . . 1 . . . A 59 ILE CB . 17645 1 504 . 1 1 44 44 ILE CG1 C 13 28.09 . . 1 . . . A 59 ILE CG1 . 17645 1 505 . 1 1 44 44 ILE CG2 C 13 18.96 . . 1 . . . A 59 ILE CG2 . 17645 1 506 . 1 1 44 44 ILE CD1 C 13 15.70 . . 1 . . . A 59 ILE CD1 . 17645 1 507 . 1 1 44 44 ILE N N 15 126.4160 . . 1 . . . A 59 ILE N . 17645 1 508 . 1 1 45 45 ASP H H 1 8.4060 . . 1 . . . A 60 ASP H . 17645 1 509 . 1 1 45 45 ASP HA H 1 4.407 . . 1 . . . A 60 ASP HA . 17645 1 510 . 1 1 45 45 ASP HB2 H 1 2.799 . . 2 . . . A 60 ASP HB2 . 17645 1 511 . 1 1 45 45 ASP HB3 H 1 2.602 . . 2 . . . A 60 ASP HB3 . 17645 1 512 . 1 1 45 45 ASP CA C 13 58.2800 . . 1 . . . A 60 ASP CA . 17645 1 513 . 1 1 45 45 ASP CB C 13 40.7600 . . 1 . . . A 60 ASP CB . 17645 1 514 . 1 1 45 45 ASP N N 15 121.5630 . . 1 . . . A 60 ASP N . 17645 1 515 . 1 1 46 46 ALA H H 1 8.5380 . . 1 . . . A 61 ALA H . 17645 1 516 . 1 1 46 46 ALA HA H 1 4.202 . . 1 . . . A 61 ALA HA . 17645 1 517 . 1 1 46 46 ALA HB1 H 1 1.533 . . 1 . . . A 61 ALA HB1 . 17645 1 518 . 1 1 46 46 ALA HB2 H 1 1.533 . . 1 . . . A 61 ALA HB2 . 17645 1 519 . 1 1 46 46 ALA HB3 H 1 1.533 . . 1 . . . A 61 ALA HB3 . 17645 1 520 . 1 1 46 46 ALA CA C 13 55.7100 . . 1 . . . A 61 ALA CA . 17645 1 521 . 1 1 46 46 ALA CB C 13 18.6600 . . 1 . . . A 61 ALA CB . 17645 1 522 . 1 1 46 46 ALA N N 15 123.5000 . . 1 . . . A 61 ALA N . 17645 1 523 . 1 1 47 47 LEU H H 1 7.8010 . . 1 . . . A 62 LEU H . 17645 1 524 . 1 1 47 47 LEU HA H 1 4.294 . . 1 . . . A 62 LEU HA . 17645 1 525 . 1 1 47 47 LEU HB2 H 1 2.085 . . 2 . . . A 62 LEU HB2 . 17645 1 526 . 1 1 47 47 LEU HB3 H 1 1.684 . . 2 . . . A 62 LEU HB3 . 17645 1 527 . 1 1 47 47 LEU HG H 1 1.634 . . 1 . . . A 62 LEU HG . 17645 1 528 . 1 1 47 47 LEU HD11 H 1 1.046 . . 2 . . . A 62 LEU HD11 . 17645 1 529 . 1 1 47 47 LEU HD12 H 1 1.046 . . 2 . . . A 62 LEU HD12 . 17645 1 530 . 1 1 47 47 LEU HD13 H 1 1.046 . . 2 . . . A 62 LEU HD13 . 17645 1 531 . 1 1 47 47 LEU HD21 H 1 0.963 . . 2 . . . A 62 LEU HD21 . 17645 1 532 . 1 1 47 47 LEU HD22 H 1 0.963 . . 2 . . . A 62 LEU HD22 . 17645 1 533 . 1 1 47 47 LEU HD23 H 1 0.963 . . 2 . . . A 62 LEU HD23 . 17645 1 534 . 1 1 47 47 LEU CA C 13 58.6600 . . 1 . . . A 62 LEU CA . 17645 1 535 . 1 1 47 47 LEU CB C 13 41.1400 . . 1 . . . A 62 LEU CB . 17645 1 536 . 1 1 47 47 LEU CG C 13 28.45 . . 1 . . . A 62 LEU CG . 17645 1 537 . 1 1 47 47 LEU CD1 C 13 23.61 . . 2 . . . A 62 LEU CD1 . 17645 1 538 . 1 1 47 47 LEU CD2 C 13 27.47 . . 2 . . . A 62 LEU CD2 . 17645 1 539 . 1 1 47 47 LEU N N 15 121.9420 . . 1 . . . A 62 LEU N . 17645 1 540 . 1 1 48 48 MET H H 1 8.2610 . . 1 . . . A 63 MET H . 17645 1 541 . 1 1 48 48 MET HA H 1 3.945 . . 1 . . . A 63 MET HA . 17645 1 542 . 1 1 48 48 MET HB2 H 1 2.276 . . 2 . . . A 63 MET HB2 . 17645 1 543 . 1 1 48 48 MET HB3 H 1 2.152 . . 2 . . . A 63 MET HB3 . 17645 1 544 . 1 1 48 48 MET HG2 H 1 2.867 . . 2 . . . A 63 MET HG2 . 17645 1 545 . 1 1 48 48 MET HG3 H 1 2.398 . . 2 . . . A 63 MET HG3 . 17645 1 546 . 1 1 48 48 MET HE1 H 1 2.107 . . 1 . . . A 63 MET HE1 . 17645 1 547 . 1 1 48 48 MET HE2 H 1 2.107 . . 1 . . . A 63 MET HE2 . 17645 1 548 . 1 1 48 48 MET HE3 H 1 2.107 . . 1 . . . A 63 MET HE3 . 17645 1 549 . 1 1 48 48 MET CA C 13 60.3300 . . 1 . . . A 63 MET CA . 17645 1 550 . 1 1 48 48 MET CB C 13 33.1100 . . 1 . . . A 63 MET CB . 17645 1 551 . 1 1 48 48 MET CG C 13 33.87 . . 1 . . . A 63 MET CG . 17645 1 552 . 1 1 48 48 MET CE C 13 17.92 . . 1 . . . A 63 MET CE . 17645 1 553 . 1 1 48 48 MET N N 15 118.0680 . . 1 . . . A 63 MET N . 17645 1 554 . 1 1 49 49 ALA H H 1 8.0450 . . 1 . . . A 64 ALA H . 17645 1 555 . 1 1 49 49 ALA HA H 1 4.101 . . 1 . . . A 64 ALA HA . 17645 1 556 . 1 1 49 49 ALA HB1 H 1 1.497 . . 1 . . . A 64 ALA HB1 . 17645 1 557 . 1 1 49 49 ALA HB2 H 1 1.497 . . 1 . . . A 64 ALA HB2 . 17645 1 558 . 1 1 49 49 ALA HB3 H 1 1.497 . . 1 . . . A 64 ALA HB3 . 17645 1 559 . 1 1 49 49 ALA CA C 13 55.7700 . . 1 . . . A 64 ALA CA . 17645 1 560 . 1 1 49 49 ALA CB C 13 18.7700 . . 1 . . . A 64 ALA CB . 17645 1 561 . 1 1 49 49 ALA N N 15 120.4280 . . 1 . . . A 64 ALA N . 17645 1 562 . 1 1 50 50 LYS H H 1 8.0630 . . 1 . . . A 65 LYS H . 17645 1 563 . 1 1 50 50 LYS HA H 1 4.039 . . 1 . . . A 65 LYS HA . 17645 1 564 . 1 1 50 50 LYS HB2 H 1 2.014 . . 2 . . . A 65 LYS HB2 . 17645 1 565 . 1 1 50 50 LYS HB3 H 1 2.014 . . 2 . . . A 65 LYS HB3 . 17645 1 566 . 1 1 50 50 LYS HG2 H 1 1.619 . . 2 . . . A 65 LYS HG2 . 17645 1 567 . 1 1 50 50 LYS HG3 H 1 1.548 . . 2 . . . A 65 LYS HG3 . 17645 1 568 . 1 1 50 50 LYS HD2 H 1 1.660 . . 2 . . . A 65 LYS HD2 . 17645 1 569 . 1 1 50 50 LYS HD3 H 1 1.660 . . 2 . . . A 65 LYS HD3 . 17645 1 570 . 1 1 50 50 LYS HE2 H 1 2.969 . . 2 . . . A 65 LYS HE2 . 17645 1 571 . 1 1 50 50 LYS HE3 H 1 2.895 . . 2 . . . A 65 LYS HE3 . 17645 1 572 . 1 1 50 50 LYS CA C 13 60.5200 . . 1 . . . A 65 LYS CA . 17645 1 573 . 1 1 50 50 LYS CB C 13 33.6800 . . 1 . . . A 65 LYS CB . 17645 1 574 . 1 1 50 50 LYS CG C 13 26.41 . . 1 . . . A 65 LYS CG . 17645 1 575 . 1 1 50 50 LYS CD C 13 30.33 . . 1 . . . A 65 LYS CD . 17645 1 576 . 1 1 50 50 LYS CE C 13 42.31 . . 1 . . . A 65 LYS CE . 17645 1 577 . 1 1 50 50 LYS N N 15 121.9470 . . 1 . . . A 65 LYS N . 17645 1 578 . 1 1 51 51 ILE H H 1 8.4370 . . 1 . . . A 66 ILE H . 17645 1 579 . 1 1 51 51 ILE HA H 1 3.750 . . 1 . . . A 66 ILE HA . 17645 1 580 . 1 1 51 51 ILE HB H 1 1.930 . . 1 . . . A 66 ILE HB . 17645 1 581 . 1 1 51 51 ILE HG12 H 1 1.940 . . 2 . . . A 66 ILE HG12 . 17645 1 582 . 1 1 51 51 ILE HG13 H 1 1.033 . . 2 . . . A 66 ILE HG13 . 17645 1 583 . 1 1 51 51 ILE HG21 H 1 0.898 . . 1 . . . A 66 ILE HG21 . 17645 1 584 . 1 1 51 51 ILE HG22 H 1 0.898 . . 1 . . . A 66 ILE HG22 . 17645 1 585 . 1 1 51 51 ILE HG23 H 1 0.898 . . 1 . . . A 66 ILE HG23 . 17645 1 586 . 1 1 51 51 ILE HD11 H 1 0.799 . . 1 . . . A 66 ILE HD11 . 17645 1 587 . 1 1 51 51 ILE HD12 H 1 0.799 . . 1 . . . A 66 ILE HD12 . 17645 1 588 . 1 1 51 51 ILE HD13 H 1 0.799 . . 1 . . . A 66 ILE HD13 . 17645 1 589 . 1 1 51 51 ILE CA C 13 65.7400 . . 1 . . . A 66 ILE CA . 17645 1 590 . 1 1 51 51 ILE CB C 13 39.1200 . . 1 . . . A 66 ILE CB . 17645 1 591 . 1 1 51 51 ILE CG1 C 13 30.14 . . 1 . . . A 66 ILE CG1 . 17645 1 592 . 1 1 51 51 ILE CG2 C 13 18.41 . . 1 . . . A 66 ILE CG2 . 17645 1 593 . 1 1 51 51 ILE CD1 C 13 15.94 . . 1 . . . A 66 ILE CD1 . 17645 1 594 . 1 1 51 51 ILE N N 15 121.1890 . . 1 . . . A 66 ILE N . 17645 1 595 . 1 1 52 52 LYS H H 1 7.6220 . . 1 . . . A 67 LYS H . 17645 1 596 . 1 1 52 52 LYS HA H 1 4.136 . . 1 . . . A 67 LYS HA . 17645 1 597 . 1 1 52 52 LYS HB2 H 1 1.945 . . 2 . . . A 67 LYS HB2 . 17645 1 598 . 1 1 52 52 LYS HB3 H 1 1.900 . . 2 . . . A 67 LYS HB3 . 17645 1 599 . 1 1 52 52 LYS HG2 H 1 1.476 . . 2 . . . A 67 LYS HG2 . 17645 1 600 . 1 1 52 52 LYS HG3 H 1 1.476 . . 2 . . . A 67 LYS HG3 . 17645 1 601 . 1 1 52 52 LYS HD2 H 1 1.671 . . 2 . . . A 67 LYS HD2 . 17645 1 602 . 1 1 52 52 LYS HD3 H 1 1.671 . . 2 . . . A 67 LYS HD3 . 17645 1 603 . 1 1 52 52 LYS HE2 H 1 2.928 . . 2 . . . A 67 LYS HE2 . 17645 1 604 . 1 1 52 52 LYS HE3 H 1 2.928 . . 2 . . . A 67 LYS HE3 . 17645 1 605 . 1 1 52 52 LYS CA C 13 59.2100 . . 1 . . . A 67 LYS CA . 17645 1 606 . 1 1 52 52 LYS CB C 13 33.6800 . . 1 . . . A 67 LYS CB . 17645 1 607 . 1 1 52 52 LYS CG C 13 26.41 . . 1 . . . A 67 LYS CG . 17645 1 608 . 1 1 52 52 LYS CD C 13 29.940 . . 1 . . . A 67 LYS CD . 17645 1 609 . 1 1 52 52 LYS CE C 13 42.81 . . 1 . . . A 67 LYS CE . 17645 1 610 . 1 1 52 52 LYS N N 15 117.1190 . . 1 . . . A 67 LYS N . 17645 1 611 . 1 1 53 53 SER H H 1 7.7500 . . 1 . . . A 68 SER H . 17645 1 612 . 1 1 53 53 SER HA H 1 4.602 . . 1 . . . A 68 SER HA . 17645 1 613 . 1 1 53 53 SER HB2 H 1 3.999 . . 2 . . . A 68 SER HB2 . 17645 1 614 . 1 1 53 53 SER HB3 H 1 3.932 . . 2 . . . A 68 SER HB3 . 17645 1 615 . 1 1 53 53 SER CA C 13 59.9600 . . 1 . . . A 68 SER CA . 17645 1 616 . 1 1 53 53 SER CB C 13 65.7500 . . 1 . . . A 68 SER CB . 17645 1 617 . 1 1 53 53 SER N N 15 111.8240 . . 1 . . . A 68 SER N . 17645 1 618 . 1 1 54 54 THR H H 1 7.9720 . . 1 . . . A 69 THR H . 17645 1 619 . 1 1 54 54 THR HA H 1 4.596 . . 1 . . . A 69 THR HA . 17645 1 620 . 1 1 54 54 THR HB H 1 4.216 . . 1 . . . A 69 THR HB . 17645 1 621 . 1 1 54 54 THR HG21 H 1 1.204 . . 1 . . . A 69 THR HG21 . 17645 1 622 . 1 1 54 54 THR HG22 H 1 1.204 . . 1 . . . A 69 THR HG22 . 17645 1 623 . 1 1 54 54 THR HG23 H 1 1.204 . . 1 . . . A 69 THR HG23 . 17645 1 624 . 1 1 54 54 THR CA C 13 62.4600 . . 1 . . . A 69 THR CA . 17645 1 625 . 1 1 54 54 THR CB C 13 71.6500 . . 1 . . . A 69 THR CB . 17645 1 626 . 1 1 54 54 THR CG2 C 13 22.240 . . 1 . . . A 69 THR CG2 . 17645 1 627 . 1 1 54 54 THR N N 15 115.9160 . . 1 . . . A 69 THR N . 17645 1 628 . 1 1 55 55 MET H H 1 8.3060 . . 1 . . . A 70 MET H . 17645 1 629 . 1 1 55 55 MET HA H 1 4.551 . . 1 . . . A 70 MET HA . 17645 1 630 . 1 1 55 55 MET HB2 H 1 2.075 . . 2 . . . A 70 MET HB2 . 17645 1 631 . 1 1 55 55 MET HB3 H 1 1.945 . . 2 . . . A 70 MET HB3 . 17645 1 632 . 1 1 55 55 MET HG2 H 1 2.557 . . 2 . . . A 70 MET HG2 . 17645 1 633 . 1 1 55 55 MET HG3 H 1 2.466 . . 2 . . . A 70 MET HG3 . 17645 1 634 . 1 1 55 55 MET HE1 H 1 2.066 . . 1 . . . A 70 MET HE1 . 17645 1 635 . 1 1 55 55 MET HE2 H 1 2.066 . . 1 . . . A 70 MET HE2 . 17645 1 636 . 1 1 55 55 MET HE3 H 1 2.066 . . 1 . . . A 70 MET HE3 . 17645 1 637 . 1 1 55 55 MET CA C 13 56.0500 . . 1 . . . A 70 MET CA . 17645 1 638 . 1 1 55 55 MET CB C 13 32.5000 . . 1 . . . A 70 MET CB . 17645 1 639 . 1 1 55 55 MET CG C 13 32.89 . . 1 . . . A 70 MET CG . 17645 1 640 . 1 1 55 55 MET CE C 13 17.65 . . 1 . . . A 70 MET CE . 17645 1 641 . 1 1 55 55 MET N N 15 121.3430 . . 1 . . . A 70 MET N . 17645 1 642 . 1 1 56 56 MET H H 1 8.1140 . . 1 . . . A 71 MET H . 17645 1 643 . 1 1 56 56 MET HA H 1 4.706 . . 1 . . . A 71 MET HA . 17645 1 644 . 1 1 56 56 MET HB2 H 1 2.106 . . 2 . . . A 71 MET HB2 . 17645 1 645 . 1 1 56 56 MET HB3 H 1 1.849 . . 2 . . . A 71 MET HB3 . 17645 1 646 . 1 1 56 56 MET HG2 H 1 2.378 . . 2 . . . A 71 MET HG2 . 17645 1 647 . 1 1 56 56 MET HG3 H 1 2.378 . . 2 . . . A 71 MET HG3 . 17645 1 648 . 1 1 56 56 MET HE1 H 1 1.850 . . 1 . . . A 71 MET HE1 . 17645 1 649 . 1 1 56 56 MET HE2 H 1 1.850 . . 1 . . . A 71 MET HE2 . 17645 1 650 . 1 1 56 56 MET HE3 H 1 1.850 . . 1 . . . A 71 MET HE3 . 17645 1 651 . 1 1 56 56 MET CA C 13 55.8600 . . 1 . . . A 71 MET CA . 17645 1 652 . 1 1 56 56 MET CB C 13 37.6200 . . 1 . . . A 71 MET CB . 17645 1 653 . 1 1 56 56 MET CG C 13 33.10 . . 1 . . . A 71 MET CG . 17645 1 654 . 1 1 56 56 MET CE C 13 17.65 . . 1 . . . A 71 MET CE . 17645 1 655 . 1 1 56 56 MET N N 15 123.1960 . . 1 . . . A 71 MET N . 17645 1 656 . 1 1 57 57 THR H H 1 8.4860 . . 1 . . . A 72 THR H . 17645 1 657 . 1 1 57 57 THR HA H 1 4.483 . . 1 . . . A 72 THR HA . 17645 1 658 . 1 1 57 57 THR HB H 1 4.756 . . 1 . . . A 72 THR HB . 17645 1 659 . 1 1 57 57 THR HG21 H 1 1.319 . . 1 . . . A 72 THR HG21 . 17645 1 660 . 1 1 57 57 THR HG22 H 1 1.319 . . 1 . . . A 72 THR HG22 . 17645 1 661 . 1 1 57 57 THR HG23 H 1 1.319 . . 1 . . . A 72 THR HG23 . 17645 1 662 . 1 1 57 57 THR CA C 13 61.0800 . . 1 . . . A 72 THR CA . 17645 1 663 . 1 1 57 57 THR CB C 13 71.6700 . . 1 . . . A 72 THR CB . 17645 1 664 . 1 1 57 57 THR CG2 C 13 22.64 . . 1 . . . A 72 THR CG2 . 17645 1 665 . 1 1 57 57 THR N N 15 113.1580 . . 1 . . . A 72 THR N . 17645 1 666 . 1 1 58 58 ARG H H 1 8.9610 . . 1 . . . A 73 ARG H . 17645 1 667 . 1 1 58 58 ARG HA H 1 3.909 . . 1 . . . A 73 ARG HA . 17645 1 668 . 1 1 58 58 ARG HB2 H 1 1.879 . . 2 . . . A 73 ARG HB2 . 17645 1 669 . 1 1 58 58 ARG HB3 H 1 1.792 . . 2 . . . A 73 ARG HB3 . 17645 1 670 . 1 1 58 58 ARG HG2 H 1 1.688 . . 2 . . . A 73 ARG HG2 . 17645 1 671 . 1 1 58 58 ARG HG3 H 1 1.584 . . 2 . . . A 73 ARG HG3 . 17645 1 672 . 1 1 58 58 ARG HD2 H 1 3.153 . . 2 . . . A 73 ARG HD2 . 17645 1 673 . 1 1 58 58 ARG HD3 H 1 3.132 . . 2 . . . A 73 ARG HD3 . 17645 1 674 . 1 1 58 58 ARG CA C 13 60.5200 . . 1 . . . A 73 ARG CA . 17645 1 675 . 1 1 58 58 ARG CB C 13 30.3300 . . 1 . . . A 73 ARG CB . 17645 1 676 . 1 1 58 58 ARG CG C 13 27.90 . . 1 . . . A 73 ARG CG . 17645 1 677 . 1 1 58 58 ARG CD C 13 44.03 . . 1 . . . A 73 ARG CD . 17645 1 678 . 1 1 58 58 ARG N N 15 121.9110 . . 1 . . . A 73 ARG N . 17645 1 679 . 1 1 59 59 GLU H H 1 8.8330 . . 1 . . . A 74 GLU H . 17645 1 680 . 1 1 59 59 GLU HA H 1 4.032 . . 1 . . . A 74 GLU HA . 17645 1 681 . 1 1 59 59 GLU HB2 H 1 2.078 . . 2 . . . A 74 GLU HB2 . 17645 1 682 . 1 1 59 59 GLU HB3 H 1 1.937 . . 2 . . . A 74 GLU HB3 . 17645 1 683 . 1 1 59 59 GLU HG2 H 1 2.389 . . 2 . . . A 74 GLU HG2 . 17645 1 684 . 1 1 59 59 GLU HG3 H 1 2.281 . . 2 . . . A 74 GLU HG3 . 17645 1 685 . 1 1 59 59 GLU CA C 13 60.8900 . . 1 . . . A 74 GLU CA . 17645 1 686 . 1 1 59 59 GLU CB C 13 29.9600 . . 1 . . . A 74 GLU CB . 17645 1 687 . 1 1 59 59 GLU CG C 13 37.340 . . 1 . . . A 74 GLU CG . 17645 1 688 . 1 1 59 59 GLU N N 15 118.9550 . . 1 . . . A 74 GLU N . 17645 1 689 . 1 1 60 60 GLN H H 1 7.8010 . . 1 . . . A 75 GLN H . 17645 1 690 . 1 1 60 60 GLN HA H 1 3.990 . . 1 . . . A 75 GLN HA . 17645 1 691 . 1 1 60 60 GLN HB2 H 1 2.348 . . 2 . . . A 75 GLN HB2 . 17645 1 692 . 1 1 60 60 GLN HB3 H 1 2.030 . . 2 . . . A 75 GLN HB3 . 17645 1 693 . 1 1 60 60 GLN HG2 H 1 2.464 . . 2 . . . A 75 GLN HG2 . 17645 1 694 . 1 1 60 60 GLN HG3 H 1 2.464 . . 2 . . . A 75 GLN HG3 . 17645 1 695 . 1 1 60 60 GLN CA C 13 59.4000 . . 1 . . . A 75 GLN CA . 17645 1 696 . 1 1 60 60 GLN CB C 13 29.3900 . . 1 . . . A 75 GLN CB . 17645 1 697 . 1 1 60 60 GLN CG C 13 34.81 . . 1 . . . A 75 GLN CG . 17645 1 698 . 1 1 60 60 GLN N N 15 121.0770 . . 1 . . . A 75 GLN N . 17645 1 699 . 1 1 61 61 ILE H H 1 8.2500 . . 1 . . . A 76 ILE H . 17645 1 700 . 1 1 61 61 ILE HA H 1 3.429 . . 1 . . . A 76 ILE HA . 17645 1 701 . 1 1 61 61 ILE HB H 1 1.849 . . 1 . . . A 76 ILE HB . 17645 1 702 . 1 1 61 61 ILE HG12 H 1 1.844 . . 2 . . . A 76 ILE HG12 . 17645 1 703 . 1 1 61 61 ILE HG13 H 1 0.907 . . 2 . . . A 76 ILE HG13 . 17645 1 704 . 1 1 61 61 ILE HG21 H 1 0.769 . . 1 . . . A 76 ILE HG21 . 17645 1 705 . 1 1 61 61 ILE HG22 H 1 0.769 . . 1 . . . A 76 ILE HG22 . 17645 1 706 . 1 1 61 61 ILE HG23 H 1 0.769 . . 1 . . . A 76 ILE HG23 . 17645 1 707 . 1 1 61 61 ILE HD11 H 1 0.837 . . 1 . . . A 76 ILE HD11 . 17645 1 708 . 1 1 61 61 ILE HD12 H 1 0.837 . . 1 . . . A 76 ILE HD12 . 17645 1 709 . 1 1 61 61 ILE HD13 H 1 0.837 . . 1 . . . A 76 ILE HD13 . 17645 1 710 . 1 1 61 61 ILE CA C 13 66.8600 . . 1 . . . A 76 ILE CA . 17645 1 711 . 1 1 61 61 ILE CB C 13 38.7100 . . 1 . . . A 76 ILE CB . 17645 1 712 . 1 1 61 61 ILE CG1 C 13 30.70 . . 1 . . . A 76 ILE CG1 . 17645 1 713 . 1 1 61 61 ILE CG2 C 13 18.21 . . 1 . . . A 76 ILE CG2 . 17645 1 714 . 1 1 61 61 ILE CD1 C 13 14.67 . . 1 . . . A 76 ILE CD1 . 17645 1 715 . 1 1 61 61 ILE N N 15 120.0160 . . 1 . . . A 76 ILE N . 17645 1 716 . 1 1 62 62 GLN H H 1 8.2950 . . 1 . . . A 77 GLN H . 17645 1 717 . 1 1 62 62 GLN HA H 1 3.767 . . 1 . . . A 77 GLN HA . 17645 1 718 . 1 1 62 62 GLN HB2 H 1 2.167 . . 2 . . . A 77 GLN HB2 . 17645 1 719 . 1 1 62 62 GLN HB3 H 1 2.167 . . 2 . . . A 77 GLN HB3 . 17645 1 720 . 1 1 62 62 GLN HG2 H 1 2.394 . . 2 . . . A 77 GLN HG2 . 17645 1 721 . 1 1 62 62 GLN HG3 H 1 2.394 . . 2 . . . A 77 GLN HG3 . 17645 1 722 . 1 1 62 62 GLN CA C 13 59.7700 . . 1 . . . A 77 GLN CA . 17645 1 723 . 1 1 62 62 GLN CB C 13 29.0800 . . 1 . . . A 77 GLN CB . 17645 1 724 . 1 1 62 62 GLN CG C 13 34.07 . . 1 . . . A 77 GLN CG . 17645 1 725 . 1 1 62 62 GLN N N 15 119.1530 . . 1 . . . A 77 GLN N . 17645 1 726 . 1 1 63 63 LYS H H 1 7.8390 . . 1 . . . A 78 LYS H . 17645 1 727 . 1 1 63 63 LYS HA H 1 4.154 . . 1 . . . A 78 LYS HA . 17645 1 728 . 1 1 63 63 LYS HB2 H 1 1.966 . . 2 . . . A 78 LYS HB2 . 17645 1 729 . 1 1 63 63 LYS HB3 H 1 1.966 . . 2 . . . A 78 LYS HB3 . 17645 1 730 . 1 1 63 63 LYS HG2 H 1 1.612 . . 2 . . . A 78 LYS HG2 . 17645 1 731 . 1 1 63 63 LYS HG3 H 1 1.454 . . 2 . . . A 78 LYS HG3 . 17645 1 732 . 1 1 63 63 LYS HD2 H 1 1.691 . . 2 . . . A 78 LYS HD2 . 17645 1 733 . 1 1 63 63 LYS HD3 H 1 1.691 . . 2 . . . A 78 LYS HD3 . 17645 1 734 . 1 1 63 63 LYS HE2 H 1 2.968 . . 2 . . . A 78 LYS HE2 . 17645 1 735 . 1 1 63 63 LYS HE3 H 1 2.968 . . 2 . . . A 78 LYS HE3 . 17645 1 736 . 1 1 63 63 LYS CA C 13 60.1500 . . 1 . . . A 78 LYS CA . 17645 1 737 . 1 1 63 63 LYS CB C 13 33.3100 . . 1 . . . A 78 LYS CB . 17645 1 738 . 1 1 63 63 LYS CG C 13 25.85 . . 1 . . . A 78 LYS CG . 17645 1 739 . 1 1 63 63 LYS CD C 13 29.78 . . 1 . . . A 78 LYS CD . 17645 1 740 . 1 1 63 63 LYS CE C 13 42.59 . . 1 . . . A 78 LYS CE . 17645 1 741 . 1 1 63 63 LYS N N 15 118.2000 . . 1 . . . A 78 LYS N . 17645 1 742 . 1 1 64 64 GLU H H 1 7.8990 . . 1 . . . A 79 GLU H . 17645 1 743 . 1 1 64 64 GLU HA H 1 4.142 . . 1 . . . A 79 GLU HA . 17645 1 744 . 1 1 64 64 GLU HB2 H 1 2.226 . . 2 . . . A 79 GLU HB2 . 17645 1 745 . 1 1 64 64 GLU HB3 H 1 1.970 . . 2 . . . A 79 GLU HB3 . 17645 1 746 . 1 1 64 64 GLU HG2 H 1 2.448 . . 2 . . . A 79 GLU HG2 . 17645 1 747 . 1 1 64 64 GLU HG3 H 1 2.430 . . 2 . . . A 79 GLU HG3 . 17645 1 748 . 1 1 64 64 GLU CA C 13 60.3300 . . 1 . . . A 79 GLU CA . 17645 1 749 . 1 1 64 64 GLU CB C 13 30.6100 . . 1 . . . A 79 GLU CB . 17645 1 750 . 1 1 64 64 GLU CG C 13 37.430 . . 1 . . . A 79 GLU CG . 17645 1 751 . 1 1 64 64 GLU N N 15 120.1330 . . 1 . . . A 79 GLU N . 17645 1 752 . 1 1 65 65 TYR H H 1 9.0230 . . 1 . . . A 80 TYR H . 17645 1 753 . 1 1 65 65 TYR HA H 1 3.942 . . 1 . . . A 80 TYR HA . 17645 1 754 . 1 1 65 65 TYR HB2 H 1 3.211 . . 2 . . . A 80 TYR HB2 . 17645 1 755 . 1 1 65 65 TYR HB3 H 1 2.852 . . 2 . . . A 80 TYR HB3 . 17645 1 756 . 1 1 65 65 TYR CA C 13 62.7600 . . 1 . . . A 80 TYR CA . 17645 1 757 . 1 1 65 65 TYR CB C 13 39.4700 . . 1 . . . A 80 TYR CB . 17645 1 758 . 1 1 65 65 TYR N N 15 122.5050 . . 1 . . . A 80 TYR N . 17645 1 759 . 1 1 66 66 ASP H H 1 9.0890 . . 1 . . . A 81 ASP H . 17645 1 760 . 1 1 66 66 ASP HA H 1 4.217 . . 1 . . . A 81 ASP HA . 17645 1 761 . 1 1 66 66 ASP HB2 H 1 2.851 . . 2 . . . A 81 ASP HB2 . 17645 1 762 . 1 1 66 66 ASP HB3 H 1 2.579 . . 2 . . . A 81 ASP HB3 . 17645 1 763 . 1 1 66 66 ASP CA C 13 58.1000 . . 1 . . . A 81 ASP CA . 17645 1 764 . 1 1 66 66 ASP CB C 13 40.6400 . . 1 . . . A 81 ASP CB . 17645 1 765 . 1 1 66 66 ASP N N 15 120.4970 . . 1 . . . A 81 ASP N . 17645 1 766 . 1 1 67 67 ALA H H 1 7.6360 . . 1 . . . A 82 ALA H . 17645 1 767 . 1 1 67 67 ALA HA H 1 4.187 . . 1 . . . A 82 ALA HA . 17645 1 768 . 1 1 67 67 ALA HB1 H 1 1.526 . . 1 . . . A 82 ALA HB1 . 17645 1 769 . 1 1 67 67 ALA HB2 H 1 1.526 . . 1 . . . A 82 ALA HB2 . 17645 1 770 . 1 1 67 67 ALA HB3 H 1 1.526 . . 1 . . . A 82 ALA HB3 . 17645 1 771 . 1 1 67 67 ALA CA C 13 55.8300 . . 1 . . . A 82 ALA CA . 17645 1 772 . 1 1 67 67 ALA CB C 13 18.9200 . . 1 . . . A 82 ALA CB . 17645 1 773 . 1 1 67 67 ALA N N 15 122.3970 . . 1 . . . A 82 ALA N . 17645 1 774 . 1 1 68 68 LEU H H 1 7.7270 . . 1 . . . A 83 LEU H . 17645 1 775 . 1 1 68 68 LEU HA H 1 4.145 . . 1 . . . A 83 LEU HA . 17645 1 776 . 1 1 68 68 LEU HB2 H 1 1.950 . . 2 . . . A 83 LEU HB2 . 17645 1 777 . 1 1 68 68 LEU HB3 H 1 1.254 . . 2 . . . A 83 LEU HB3 . 17645 1 778 . 1 1 68 68 LEU HG H 1 1.889 . . 1 . . . A 83 LEU HG . 17645 1 779 . 1 1 68 68 LEU HD11 H 1 0.860 . . 2 . . . A 83 LEU HD11 . 17645 1 780 . 1 1 68 68 LEU HD12 H 1 0.860 . . 2 . . . A 83 LEU HD12 . 17645 1 781 . 1 1 68 68 LEU HD13 H 1 0.860 . . 2 . . . A 83 LEU HD13 . 17645 1 782 . 1 1 68 68 LEU HD21 H 1 0.843 . . 2 . . . A 83 LEU HD21 . 17645 1 783 . 1 1 68 68 LEU HD22 H 1 0.843 . . 2 . . . A 83 LEU HD22 . 17645 1 784 . 1 1 68 68 LEU HD23 H 1 0.843 . . 2 . . . A 83 LEU HD23 . 17645 1 785 . 1 1 68 68 LEU CA C 13 58.2800 . . 1 . . . A 83 LEU CA . 17645 1 786 . 1 1 68 68 LEU CB C 13 42.8600 . . 1 . . . A 83 LEU CB . 17645 1 787 . 1 1 68 68 LEU CG C 13 27.53 . . 1 . . . A 83 LEU CG . 17645 1 788 . 1 1 68 68 LEU CD1 C 13 27.34 . . 2 . . . A 83 LEU CD1 . 17645 1 789 . 1 1 68 68 LEU CD2 C 13 24.21 . . 2 . . . A 83 LEU CD2 . 17645 1 790 . 1 1 68 68 LEU N N 15 121.8060 . . 1 . . . A 83 LEU N . 17645 1 791 . 1 1 69 69 VAL H H 1 8.5600 . . 1 . . . A 84 VAL H . 17645 1 792 . 1 1 69 69 VAL HA H 1 3.305 . . 1 . . . A 84 VAL HA . 17645 1 793 . 1 1 69 69 VAL HB H 1 1.975 . . 1 . . . A 84 VAL HB . 17645 1 794 . 1 1 69 69 VAL HG11 H 1 0.498 . . 2 . . . A 84 VAL HG11 . 17645 1 795 . 1 1 69 69 VAL HG12 H 1 0.498 . . 2 . . . A 84 VAL HG12 . 17645 1 796 . 1 1 69 69 VAL HG13 H 1 0.498 . . 2 . . . A 84 VAL HG13 . 17645 1 797 . 1 1 69 69 VAL HG21 H 1 0.810 . . 2 . . . A 84 VAL HG21 . 17645 1 798 . 1 1 69 69 VAL HG22 H 1 0.810 . . 2 . . . A 84 VAL HG22 . 17645 1 799 . 1 1 69 69 VAL HG23 H 1 0.810 . . 2 . . . A 84 VAL HG23 . 17645 1 800 . 1 1 69 69 VAL CA C 13 68.0400 . . 1 . . . A 84 VAL CA . 17645 1 801 . 1 1 69 69 VAL CB C 13 32.1900 . . 1 . . . A 84 VAL CB . 17645 1 802 . 1 1 69 69 VAL CG1 C 13 24.14 . . 2 . . . A 84 VAL CG1 . 17645 1 803 . 1 1 69 69 VAL CG2 C 13 21.95 . . 2 . . . A 84 VAL CG2 . 17645 1 804 . 1 1 69 69 VAL N N 15 123.5600 . . 1 . . . A 84 VAL N . 17645 1 805 . 1 1 70 70 LYS H H 1 7.9560 . . 1 . . . A 85 LYS H . 17645 1 806 . 1 1 70 70 LYS HA H 1 4.092 . . 1 . . . A 85 LYS HA . 17645 1 807 . 1 1 70 70 LYS HB2 H 1 1.941 . . 2 . . . A 85 LYS HB2 . 17645 1 808 . 1 1 70 70 LYS HB3 H 1 1.941 . . 2 . . . A 85 LYS HB3 . 17645 1 809 . 1 1 70 70 LYS HG2 H 1 1.589 . . 2 . . . A 85 LYS HG2 . 17645 1 810 . 1 1 70 70 LYS HG3 H 1 1.439 . . 2 . . . A 85 LYS HG3 . 17645 1 811 . 1 1 70 70 LYS HD2 H 1 1.699 . . 2 . . . A 85 LYS HD2 . 17645 1 812 . 1 1 70 70 LYS HD3 H 1 1.699 . . 2 . . . A 85 LYS HD3 . 17645 1 813 . 1 1 70 70 LYS HE2 H 1 2.948 . . 2 . . . A 85 LYS HE2 . 17645 1 814 . 1 1 70 70 LYS HE3 H 1 2.948 . . 2 . . . A 85 LYS HE3 . 17645 1 815 . 1 1 70 70 LYS CA C 13 60.2500 . . 1 . . . A 85 LYS CA . 17645 1 816 . 1 1 70 70 LYS CB C 13 32.7600 . . 1 . . . A 85 LYS CB . 17645 1 817 . 1 1 70 70 LYS CG C 13 25.81 . . 1 . . . A 85 LYS CG . 17645 1 818 . 1 1 70 70 LYS CD C 13 29.83 . . 1 . . . A 85 LYS CD . 17645 1 819 . 1 1 70 70 LYS CE C 13 42.59 . . 1 . . . A 85 LYS CE . 17645 1 820 . 1 1 70 70 LYS N N 15 121.3980 . . 1 . . . A 85 LYS N . 17645 1 821 . 1 1 71 71 SER H H 1 8.2840 . . 1 . . . A 86 SER H . 17645 1 822 . 1 1 71 71 SER HA H 1 4.298 . . 1 . . . A 86 SER HA . 17645 1 823 . 1 1 71 71 SER HB2 H 1 4.035 . . 2 . . . A 86 SER HB2 . 17645 1 824 . 1 1 71 71 SER HB3 H 1 3.972 . . 2 . . . A 86 SER HB3 . 17645 1 825 . 1 1 71 71 SER CA C 13 62.8100 . . 1 . . . A 86 SER CA . 17645 1 826 . 1 1 71 71 SER CB C 13 63.6400 . . 1 . . . A 86 SER CB . 17645 1 827 . 1 1 71 71 SER N N 15 114.8250 . . 1 . . . A 86 SER N . 17645 1 828 . 1 1 72 72 SER H H 1 8.4210 . . 1 . . . A 87 SER H . 17645 1 829 . 1 1 72 72 SER HA H 1 4.269 . . 1 . . . A 87 SER HA . 17645 1 830 . 1 1 72 72 SER HB2 H 1 4.042 . . 2 . . . A 87 SER HB2 . 17645 1 831 . 1 1 72 72 SER HB3 H 1 4.000 . . 2 . . . A 87 SER HB3 . 17645 1 832 . 1 1 72 72 SER CA C 13 62.9400 . . 1 . . . A 87 SER CA . 17645 1 833 . 1 1 72 72 SER CB C 13 63.8700 . . 1 . . . A 87 SER CB . 17645 1 834 . 1 1 72 72 SER N N 15 118.8450 . . 1 . . . A 87 SER N . 17645 1 835 . 1 1 73 73 GLU H H 1 8.3760 . . 1 . . . A 88 GLU H . 17645 1 836 . 1 1 73 73 GLU HA H 1 4.052 . . 1 . . . A 88 GLU HA . 17645 1 837 . 1 1 73 73 GLU HB2 H 1 2.228 . . 2 . . . A 88 GLU HB2 . 17645 1 838 . 1 1 73 73 GLU HB3 H 1 2.099 . . 2 . . . A 88 GLU HB3 . 17645 1 839 . 1 1 73 73 GLU HG2 H 1 2.447 . . 2 . . . A 88 GLU HG2 . 17645 1 840 . 1 1 73 73 GLU HG3 H 1 2.297 . . 2 . . . A 88 GLU HG3 . 17645 1 841 . 1 1 73 73 GLU CA C 13 60.2300 . . 1 . . . A 88 GLU CA . 17645 1 842 . 1 1 73 73 GLU CB C 13 30.2300 . . 1 . . . A 88 GLU CB . 17645 1 843 . 1 1 73 73 GLU CG C 13 37.31 . . 1 . . . A 88 GLU CG . 17645 1 844 . 1 1 73 73 GLU N N 15 124.8090 . . 1 . . . A 88 GLU N . 17645 1 845 . 1 1 74 74 ASP H H 1 8.7340 . . 1 . . . A 89 ASP H . 17645 1 846 . 1 1 74 74 ASP HA H 1 4.411 . . 1 . . . A 89 ASP HA . 17645 1 847 . 1 1 74 74 ASP HB2 H 1 2.815 . . 2 . . . A 89 ASP HB2 . 17645 1 848 . 1 1 74 74 ASP HB3 H 1 2.658 . . 2 . . . A 89 ASP HB3 . 17645 1 849 . 1 1 74 74 ASP CA C 13 57.9100 . . 1 . . . A 89 ASP CA . 17645 1 850 . 1 1 74 74 ASP CB C 13 40.5800 . . 1 . . . A 89 ASP CB . 17645 1 851 . 1 1 74 74 ASP N N 15 122.1930 . . 1 . . . A 89 ASP N . 17645 1 852 . 1 1 75 75 LEU H H 1 7.9860 . . 1 . . . A 90 LEU H . 17645 1 853 . 1 1 75 75 LEU HA H 1 4.290 . . 1 . . . A 90 LEU HA . 17645 1 854 . 1 1 75 75 LEU HB2 H 1 1.902 . . 2 . . . A 90 LEU HB2 . 17645 1 855 . 1 1 75 75 LEU HB3 H 1 1.704 . . 2 . . . A 90 LEU HB3 . 17645 1 856 . 1 1 75 75 LEU HG H 1 1.498 . . 1 . . . A 90 LEU HG . 17645 1 857 . 1 1 75 75 LEU HD11 H 1 0.907 . . 2 . . . A 90 LEU HD11 . 17645 1 858 . 1 1 75 75 LEU HD12 H 1 0.907 . . 2 . . . A 90 LEU HD12 . 17645 1 859 . 1 1 75 75 LEU HD13 H 1 0.907 . . 2 . . . A 90 LEU HD13 . 17645 1 860 . 1 1 75 75 LEU HD21 H 1 0.690 . . 2 . . . A 90 LEU HD21 . 17645 1 861 . 1 1 75 75 LEU HD22 H 1 0.690 . . 2 . . . A 90 LEU HD22 . 17645 1 862 . 1 1 75 75 LEU HD23 H 1 0.690 . . 2 . . . A 90 LEU HD23 . 17645 1 863 . 1 1 75 75 LEU CA C 13 58.5600 . . 1 . . . A 90 LEU CA . 17645 1 864 . 1 1 75 75 LEU CB C 13 42.0300 . . 1 . . . A 90 LEU CB . 17645 1 865 . 1 1 75 75 LEU CG C 13 28.24 . . 1 . . . A 90 LEU CG . 17645 1 866 . 1 1 75 75 LEU CD1 C 13 24.13 . . 2 . . . A 90 LEU CD1 . 17645 1 867 . 1 1 75 75 LEU CD2 C 13 26.540 . . 2 . . . A 90 LEU CD2 . 17645 1 868 . 1 1 75 75 LEU N N 15 123.2800 . . 1 . . . A 90 LEU N . 17645 1 869 . 1 1 76 76 LEU H H 1 8.2800 . . 1 . . . A 91 LEU H . 17645 1 870 . 1 1 76 76 LEU HA H 1 3.838 . . 1 . . . A 91 LEU HA . 17645 1 871 . 1 1 76 76 LEU HB2 H 1 1.790 . . 2 . . . A 91 LEU HB2 . 17645 1 872 . 1 1 76 76 LEU HB3 H 1 1.468 . . 2 . . . A 91 LEU HB3 . 17645 1 873 . 1 1 76 76 LEU HG H 1 1.497 . . 1 . . . A 91 LEU HG . 17645 1 874 . 1 1 76 76 LEU HD11 H 1 0.729 . . 2 . . . A 91 LEU HD11 . 17645 1 875 . 1 1 76 76 LEU HD12 H 1 0.729 . . 2 . . . A 91 LEU HD12 . 17645 1 876 . 1 1 76 76 LEU HD13 H 1 0.729 . . 2 . . . A 91 LEU HD13 . 17645 1 877 . 1 1 76 76 LEU HD21 H 1 0.594 . . 2 . . . A 91 LEU HD21 . 17645 1 878 . 1 1 76 76 LEU HD22 H 1 0.594 . . 2 . . . A 91 LEU HD22 . 17645 1 879 . 1 1 76 76 LEU HD23 H 1 0.594 . . 2 . . . A 91 LEU HD23 . 17645 1 880 . 1 1 76 76 LEU CA C 13 59.2000 . . 1 . . . A 91 LEU CA . 17645 1 881 . 1 1 76 76 LEU CB C 13 41.5100 . . 1 . . . A 91 LEU CB . 17645 1 882 . 1 1 76 76 LEU CG C 13 27.57 . . 1 . . . A 91 LEU CG . 17645 1 883 . 1 1 76 76 LEU CD1 C 13 25.82 . . 2 . . . A 91 LEU CD1 . 17645 1 884 . 1 1 76 76 LEU CD2 C 13 23.49 . . 2 . . . A 91 LEU CD2 . 17645 1 885 . 1 1 76 76 LEU N N 15 120.4880 . . 1 . . . A 91 LEU N . 17645 1 886 . 1 1 77 77 SER H H 1 8.2190 . . 1 . . . A 92 SER H . 17645 1 887 . 1 1 77 77 SER HA H 1 4.235 . . 1 . . . A 92 SER HA . 17645 1 888 . 1 1 77 77 SER HB2 H 1 4.039 . . 2 . . . A 92 SER HB2 . 17645 1 889 . 1 1 77 77 SER HB3 H 1 3.981 . . 2 . . . A 92 SER HB3 . 17645 1 890 . 1 1 77 77 SER CA C 13 62.200 . . 1 . . . A 92 SER CA . 17645 1 891 . 1 1 77 77 SER CB C 13 63.4400 . . 1 . . . A 92 SER CB . 17645 1 892 . 1 1 77 77 SER N N 15 113.8170 . . 1 . . . A 92 SER N . 17645 1 893 . 1 1 78 78 ALA H H 1 7.9490 . . 1 . . . A 93 ALA H . 17645 1 894 . 1 1 78 78 ALA HA H 1 4.166 . . 1 . . . A 93 ALA HA . 17645 1 895 . 1 1 78 78 ALA HB1 H 1 1.586 . . 1 . . . A 93 ALA HB1 . 17645 1 896 . 1 1 78 78 ALA HB2 H 1 1.586 . . 1 . . . A 93 ALA HB2 . 17645 1 897 . 1 1 78 78 ALA HB3 H 1 1.586 . . 1 . . . A 93 ALA HB3 . 17645 1 898 . 1 1 78 78 ALA CA C 13 55.8600 . . 1 . . . A 93 ALA CA . 17645 1 899 . 1 1 78 78 ALA CB C 13 18.7600 . . 1 . . . A 93 ALA CB . 17645 1 900 . 1 1 78 78 ALA N N 15 124.9020 . . 1 . . . A 93 ALA N . 17645 1 901 . 1 1 79 79 LEU H H 1 8.5870 . . 1 . . . A 94 LEU H . 17645 1 902 . 1 1 79 79 LEU HA H 1 4.067 . . 1 . . . A 94 LEU HA . 17645 1 903 . 1 1 79 79 LEU HB2 H 1 1.968 . . 2 . . . A 94 LEU HB2 . 17645 1 904 . 1 1 79 79 LEU HB3 H 1 1.471 . . 2 . . . A 94 LEU HB3 . 17645 1 905 . 1 1 79 79 LEU HG H 1 1.857 . . 1 . . . A 94 LEU HG . 17645 1 906 . 1 1 79 79 LEU HD11 H 1 0.855 . . 2 . . . A 94 LEU HD11 . 17645 1 907 . 1 1 79 79 LEU HD12 H 1 0.855 . . 2 . . . A 94 LEU HD12 . 17645 1 908 . 1 1 79 79 LEU HD13 H 1 0.855 . . 2 . . . A 94 LEU HD13 . 17645 1 909 . 1 1 79 79 LEU HD21 H 1 0.835 . . 2 . . . A 94 LEU HD21 . 17645 1 910 . 1 1 79 79 LEU HD22 H 1 0.835 . . 2 . . . A 94 LEU HD22 . 17645 1 911 . 1 1 79 79 LEU HD23 H 1 0.835 . . 2 . . . A 94 LEU HD23 . 17645 1 912 . 1 1 79 79 LEU CA C 13 58.4700 . . 1 . . . A 94 LEU CA . 17645 1 913 . 1 1 79 79 LEU CB C 13 42.6100 . . 1 . . . A 94 LEU CB . 17645 1 914 . 1 1 79 79 LEU CG C 13 27.64 . . 1 . . . A 94 LEU CG . 17645 1 915 . 1 1 79 79 LEU CD1 C 13 24.34 . . 2 . . . A 94 LEU CD1 . 17645 1 916 . 1 1 79 79 LEU CD2 C 13 26.79 . . 2 . . . A 94 LEU CD2 . 17645 1 917 . 1 1 79 79 LEU N N 15 120.6020 . . 1 . . . A 94 LEU N . 17645 1 918 . 1 1 80 80 GLN H H 1 8.5610 . . 1 . . . A 95 GLN H . 17645 1 919 . 1 1 80 80 GLN HA H 1 4.048 . . 1 . . . A 95 GLN HA . 17645 1 920 . 1 1 80 80 GLN HB2 H 1 2.268 . . 2 . . . A 95 GLN HB2 . 17645 1 921 . 1 1 80 80 GLN HB3 H 1 2.268 . . 2 . . . A 95 GLN HB3 . 17645 1 922 . 1 1 80 80 GLN HG2 H 1 2.542 . . 2 . . . A 95 GLN HG2 . 17645 1 923 . 1 1 80 80 GLN HG3 H 1 2.363 . . 2 . . . A 95 GLN HG3 . 17645 1 924 . 1 1 80 80 GLN CA C 13 59.5900 . . 1 . . . A 95 GLN CA . 17645 1 925 . 1 1 80 80 GLN CB C 13 28.8400 . . 1 . . . A 95 GLN CB . 17645 1 926 . 1 1 80 80 GLN CG C 13 34.79 . . 1 . . . A 95 GLN CG . 17645 1 927 . 1 1 80 80 GLN N N 15 119.5250 . . 1 . . . A 95 GLN N . 17645 1 928 . 1 1 81 81 LYS H H 1 8.0030 . . 1 . . . A 96 LYS H . 17645 1 929 . 1 1 81 81 LYS HA H 1 4.137 . . 1 . . . A 96 LYS HA . 17645 1 930 . 1 1 81 81 LYS HB2 H 1 1.936 . . 2 . . . A 96 LYS HB2 . 17645 1 931 . 1 1 81 81 LYS HB3 H 1 1.936 . . 2 . . . A 96 LYS HB3 . 17645 1 932 . 1 1 81 81 LYS HG2 H 1 1.588 . . 2 . . . A 96 LYS HG2 . 17645 1 933 . 1 1 81 81 LYS HG3 H 1 1.588 . . 2 . . . A 96 LYS HG3 . 17645 1 934 . 1 1 81 81 LYS HD2 H 1 1.697 . . 2 . . . A 96 LYS HD2 . 17645 1 935 . 1 1 81 81 LYS HD3 H 1 1.697 . . 2 . . . A 96 LYS HD3 . 17645 1 936 . 1 1 81 81 LYS HE2 H 1 2.948 . . 2 . . . A 96 LYS HE2 . 17645 1 937 . 1 1 81 81 LYS HE3 H 1 2.948 . . 2 . . . A 96 LYS HE3 . 17645 1 938 . 1 1 81 81 LYS CA C 13 60.0500 . . 1 . . . A 96 LYS CA . 17645 1 939 . 1 1 81 81 LYS CB C 13 32.9400 . . 1 . . . A 96 LYS CB . 17645 1 940 . 1 1 81 81 LYS CG C 13 26.040 . . 1 . . . A 96 LYS CG . 17645 1 941 . 1 1 81 81 LYS CD C 13 29.95 . . 1 . . . A 96 LYS CD . 17645 1 942 . 1 1 81 81 LYS CE C 13 42.81 . . 1 . . . A 96 LYS CE . 17645 1 943 . 1 1 81 81 LYS N N 15 121.0750 . . 1 . . . A 96 LYS N . 17645 1 944 . 1 1 82 82 LYS H H 1 7.9030 . . 1 . . . A 97 LYS H . 17645 1 945 . 1 1 82 82 LYS HA H 1 4.125 . . 1 . . . A 97 LYS HA . 17645 1 946 . 1 1 82 82 LYS HB2 H 1 2.043 . . 2 . . . A 97 LYS HB2 . 17645 1 947 . 1 1 82 82 LYS HB3 H 1 1.945 . . 2 . . . A 97 LYS HB3 . 17645 1 948 . 1 1 82 82 LYS HG2 H 1 1.473 . . 2 . . . A 97 LYS HG2 . 17645 1 949 . 1 1 82 82 LYS HG3 H 1 1.473 . . 2 . . . A 97 LYS HG3 . 17645 1 950 . 1 1 82 82 LYS HD2 H 1 1.700 . . 2 . . . A 97 LYS HD2 . 17645 1 951 . 1 1 82 82 LYS HD3 H 1 1.700 . . 2 . . . A 97 LYS HD3 . 17645 1 952 . 1 1 82 82 LYS HE2 H 1 3.002 . . 2 . . . A 97 LYS HE2 . 17645 1 953 . 1 1 82 82 LYS HE3 H 1 3.002 . . 2 . . . A 97 LYS HE3 . 17645 1 954 . 1 1 82 82 LYS CA C 13 59.9700 . . 1 . . . A 97 LYS CA . 17645 1 955 . 1 1 82 82 LYS CB C 13 33.1200 . . 1 . . . A 97 LYS CB . 17645 1 956 . 1 1 82 82 LYS CG C 13 25.480 . . 1 . . . A 97 LYS CG . 17645 1 957 . 1 1 82 82 LYS CD C 13 29.390 . . 1 . . . A 97 LYS CD . 17645 1 958 . 1 1 82 82 LYS CE C 13 42.81 . . 1 . . . A 97 LYS CE . 17645 1 959 . 1 1 82 82 LYS N N 15 121.4150 . . 1 . . . A 97 LYS N . 17645 1 960 . 1 1 83 83 LYS H H 1 8.2020 . . 1 . . . A 98 LYS H . 17645 1 961 . 1 1 83 83 LYS HA H 1 3.982 . . 1 . . . A 98 LYS HA . 17645 1 962 . 1 1 83 83 LYS HB2 H 1 2.043 . . 2 . . . A 98 LYS HB2 . 17645 1 963 . 1 1 83 83 LYS HB3 H 1 1.945 . . 2 . . . A 98 LYS HB3 . 17645 1 964 . 1 1 83 83 LYS HG2 H 1 1.472 . . 2 . . . A 98 LYS HG2 . 17645 1 965 . 1 1 83 83 LYS HG3 H 1 1.472 . . 2 . . . A 98 LYS HG3 . 17645 1 966 . 1 1 83 83 LYS HD2 H 1 1.793 . . 2 . . . A 98 LYS HD2 . 17645 1 967 . 1 1 83 83 LYS HD3 H 1 1.793 . . 2 . . . A 98 LYS HD3 . 17645 1 968 . 1 1 83 83 LYS HE2 H 1 3.002 . . 2 . . . A 98 LYS HE2 . 17645 1 969 . 1 1 83 83 LYS HE3 H 1 3.002 . . 2 . . . A 98 LYS HE3 . 17645 1 970 . 1 1 83 83 LYS CA C 13 60.0100 . . 1 . . . A 98 LYS CA . 17645 1 971 . 1 1 83 83 LYS CB C 13 33.1200 . . 1 . . . A 98 LYS CB . 17645 1 972 . 1 1 83 83 LYS CG C 13 25.26 . . 1 . . . A 98 LYS CG . 17645 1 973 . 1 1 83 83 LYS CD C 13 30.20 . . 1 . . . A 98 LYS CD . 17645 1 974 . 1 1 83 83 LYS CE C 13 42.81 . . 1 . . . A 98 LYS CE . 17645 1 975 . 1 1 83 83 LYS N N 15 121.0810 . . 1 . . . A 98 LYS N . 17645 1 976 . 1 1 84 84 GLN H H 1 8.1250 . . 1 . . . A 99 GLN H . 17645 1 977 . 1 1 84 84 GLN HA H 1 4.124 . . 1 . . . A 99 GLN HA . 17645 1 978 . 1 1 84 84 GLN HB2 H 1 2.227 . . 2 . . . A 99 GLN HB2 . 17645 1 979 . 1 1 84 84 GLN HB3 H 1 2.227 . . 2 . . . A 99 GLN HB3 . 17645 1 980 . 1 1 84 84 GLN HG2 H 1 2.538 . . 2 . . . A 99 GLN HG2 . 17645 1 981 . 1 1 84 84 GLN HG3 H 1 2.410 . . 2 . . . A 99 GLN HG3 . 17645 1 982 . 1 1 84 84 GLN CA C 13 59.8100 . . 1 . . . A 99 GLN CA . 17645 1 983 . 1 1 84 84 GLN CB C 13 28.9600 . . 1 . . . A 99 GLN CB . 17645 1 984 . 1 1 84 84 GLN CG C 13 34.62 . . 1 . . . A 99 GLN CG . 17645 1 985 . 1 1 84 84 GLN N N 15 119.5760 . . 1 . . . A 99 GLN N . 17645 1 986 . 1 1 85 85 GLN H H 1 8.3410 . . 1 . . . A 100 GLN H . 17645 1 987 . 1 1 85 85 GLN HA H 1 4.121 . . 1 . . . A 100 GLN HA . 17645 1 988 . 1 1 85 85 GLN HB2 H 1 2.310 . . 2 . . . A 100 GLN HB2 . 17645 1 989 . 1 1 85 85 GLN HB3 H 1 2.173 . . 2 . . . A 100 GLN HB3 . 17645 1 990 . 1 1 85 85 GLN HG2 H 1 2.599 . . 2 . . . A 100 GLN HG2 . 17645 1 991 . 1 1 85 85 GLN HG3 H 1 2.432 . . 2 . . . A 100 GLN HG3 . 17645 1 992 . 1 1 85 85 GLN CA C 13 59.5900 . . 1 . . . A 100 GLN CA . 17645 1 993 . 1 1 85 85 GLN CB C 13 29.0200 . . 1 . . . A 100 GLN CB . 17645 1 994 . 1 1 85 85 GLN CG C 13 35.00 . . 1 . . . A 100 GLN CG . 17645 1 995 . 1 1 85 85 GLN N N 15 120.0090 . . 1 . . . A 100 GLN N . 17645 1 996 . 1 1 86 86 GLU H H 1 8.2750 . . 1 . . . A 101 GLU H . 17645 1 997 . 1 1 86 86 GLU HA H 1 4.135 . . 1 . . . A 101 GLU HA . 17645 1 998 . 1 1 86 86 GLU HB2 H 1 2.255 . . 2 . . . A 101 GLU HB2 . 17645 1 999 . 1 1 86 86 GLU HB3 H 1 2.127 . . 2 . . . A 101 GLU HB3 . 17645 1 1000 . 1 1 86 86 GLU HG2 H 1 2.659 . . 2 . . . A 101 GLU HG2 . 17645 1 1001 . 1 1 86 86 GLU HG3 H 1 2.273 . . 2 . . . A 101 GLU HG3 . 17645 1 1002 . 1 1 86 86 GLU CA C 13 60.4300 . . 1 . . . A 101 GLU CA . 17645 1 1003 . 1 1 86 86 GLU CB C 13 30.1400 . . 1 . . . A 101 GLU CB . 17645 1 1004 . 1 1 86 86 GLU CG C 13 37.80 . . 1 . . . A 101 GLU CG . 17645 1 1005 . 1 1 86 86 GLU N N 15 121.7180 . . 1 . . . A 101 GLU N . 17645 1 1006 . 1 1 87 87 GLU H H 1 8.3300 . . 1 . . . A 102 GLU H . 17645 1 1007 . 1 1 87 87 GLU HA H 1 4.116 . . 1 . . . A 102 GLU HA . 17645 1 1008 . 1 1 87 87 GLU HB2 H 1 2.258 . . 2 . . . A 102 GLU HB2 . 17645 1 1009 . 1 1 87 87 GLU HB3 H 1 2.070 . . 2 . . . A 102 GLU HB3 . 17645 1 1010 . 1 1 87 87 GLU HG2 H 1 2.541 . . 2 . . . A 102 GLU HG2 . 17645 1 1011 . 1 1 87 87 GLU HG3 H 1 2.541 . . 2 . . . A 102 GLU HG3 . 17645 1 1012 . 1 1 87 87 GLU CA C 13 59.9600 . . 1 . . . A 102 GLU CA . 17645 1 1013 . 1 1 87 87 GLU CB C 13 30.2900 . . 1 . . . A 102 GLU CB . 17645 1 1014 . 1 1 87 87 GLU CG C 13 37.47 . . 1 . . . A 102 GLU CG . 17645 1 1015 . 1 1 87 87 GLU N N 15 121.4120 . . 1 . . . A 102 GLU N . 17645 1 1016 . 1 1 88 88 GLU H H 1 8.2880 . . 1 . . . A 103 GLU H . 17645 1 1017 . 1 1 88 88 GLU HA H 1 4.099 . . 1 . . . A 103 GLU HA . 17645 1 1018 . 1 1 88 88 GLU HB2 H 1 2.091 . . 2 . . . A 103 GLU HB2 . 17645 1 1019 . 1 1 88 88 GLU HB3 H 1 2.091 . . 2 . . . A 103 GLU HB3 . 17645 1 1020 . 1 1 88 88 GLU HG2 H 1 2.345 . . 2 . . . A 103 GLU HG2 . 17645 1 1021 . 1 1 88 88 GLU HG3 H 1 2.345 . . 2 . . . A 103 GLU HG3 . 17645 1 1022 . 1 1 88 88 GLU CA C 13 59.4000 . . 1 . . . A 103 GLU CA . 17645 1 1023 . 1 1 88 88 GLU CB C 13 30.1400 . . 1 . . . A 103 GLU CB . 17645 1 1024 . 1 1 88 88 GLU CG C 13 36.850 . . 1 . . . A 103 GLU CG . 17645 1 1025 . 1 1 88 88 GLU N N 15 121.4420 . . 1 . . . A 103 GLU N . 17645 1 stop_ save_