data_11075 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11075 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for N-terminal domain of kp60 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-05 _Entry.Accession_date 2009-08-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 Naoko Iwaya . . . 11075 2 Yohta Kuwahara . . . 11075 3 Takeshi Tenno . . . 11075 4 Hidehito Tochio . . . 11075 5 Masahiro Shirakawa . . . 11075 6 Hidekazu Hiroaki . . . 11075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 279 11075 '15N chemical shifts' 85 11075 '1H chemical shifts' 574 11075 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 . . 2011-07-01 2009-05-09 update BMRB 'update entry citation' 11075 1 . . 2010-04-07 2009-05-09 original author 'original release' 11075 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RPA 'Solution structure of N-terminal domain of microtubule severing enzyme' 11075 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11075 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20339000 _Citation.Full_citation . _Citation.Title 'A common substrate recognition mode conserved between katanin p60 and VPS4 governs microtubule severing and membrane skeleton reorganization.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 22 _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 16822 _Citation.Page_last 16829 _Citation.Year 2010 _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 Naoko Iwaya . . . 11075 1 2 Yohta Kuwahara . . . 11075 1 3 Yoshie Fujiwara . . . 11075 1 4 Natsuko Goda . . . 11075 1 5 Takeshi Tenno . . . 11075 1 6 Kohei Akiyama . . . 11075 1 7 Shogo Mase . . . 11075 1 8 Hidehito Tochio . . . 11075 1 9 Takahisa Ikegami . . . 11075 1 10 Masahiro Shirakawa . . . 11075 1 11 Hidekazu Hiroaki . . . 11075 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID kp60 11075 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11075 _Assembly.ID 1 _Assembly.Name kp60 _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 3.6.4.3 _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 'N-terminal domain of kp60' 1 $kp60-NTD A . yes native no no . . . 11075 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RPA . . 'solution NMR' . . . 11075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_kp60-NTD _Entity.Sf_category entity _Entity.Sf_framecode kp60-NTD _Entity.Entry_ID 11075 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal domain of kp60' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSDHMTMSLQMIVENVKLAR EYALLGNYDSAMVYYQGVLD QMNKYLYSVKDTHLRQKWQQ VWQEINVEAKQVKDIMKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2RPA . "The Solution Structure Of N-Terminal Domain Of Microtubule S Enzyme" . . . . . 100.00 78 100.00 100.00 3.24e-48 . . . . 11075 1 2 no GB AAD42087 . "lipotransin [Mus musculus]" . . . . . 92.31 491 100.00 100.00 4.97e-40 . . . . 11075 1 3 no GB AAH09136 . "Katanin p60 (ATPase-containing) subunit A1 [Mus musculus]" . . . . . 92.31 491 100.00 100.00 4.97e-40 . . . . 11075 1 4 no GB EDL03542 . "katanin p60 (ATPase-containing) subunit A1 [Mus musculus]" . . . . . 94.87 493 100.00 100.00 2.15e-41 . . . . 11075 1 5 no REF NP_035965 . "katanin p60 ATPase-containing subunit A1 [Mus musculus]" . . . . . 94.87 493 100.00 100.00 1.79e-41 . . . . 11075 1 6 no SP Q9WV86 . "RecName: Full=Katanin p60 ATPase-containing subunit A1; Short=Katanin p60 subunit A1; AltName: Full=Lipotransin; AltName: Full=" . . . . . 92.31 491 100.00 100.00 4.97e-40 . . . . 11075 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 -6 GLY . 11075 1 2 -5 SER . 11075 1 3 -4 ASP . 11075 1 4 -3 HIS . 11075 1 5 -2 MET . 11075 1 6 -1 THR . 11075 1 7 1 MET . 11075 1 8 2 SER . 11075 1 9 3 LEU . 11075 1 10 4 GLN . 11075 1 11 5 MET . 11075 1 12 6 ILE . 11075 1 13 7 VAL . 11075 1 14 8 GLU . 11075 1 15 9 ASN . 11075 1 16 10 VAL . 11075 1 17 11 LYS . 11075 1 18 12 LEU . 11075 1 19 13 ALA . 11075 1 20 14 ARG . 11075 1 21 15 GLU . 11075 1 22 16 TYR . 11075 1 23 17 ALA . 11075 1 24 18 LEU . 11075 1 25 19 LEU . 11075 1 26 20 GLY . 11075 1 27 21 ASN . 11075 1 28 22 TYR . 11075 1 29 23 ASP . 11075 1 30 24 SER . 11075 1 31 25 ALA . 11075 1 32 26 MET . 11075 1 33 27 VAL . 11075 1 34 28 TYR . 11075 1 35 29 TYR . 11075 1 36 30 GLN . 11075 1 37 31 GLY . 11075 1 38 32 VAL . 11075 1 39 33 LEU . 11075 1 40 34 ASP . 11075 1 41 35 GLN . 11075 1 42 36 MET . 11075 1 43 37 ASN . 11075 1 44 38 LYS . 11075 1 45 39 TYR . 11075 1 46 40 LEU . 11075 1 47 41 TYR . 11075 1 48 42 SER . 11075 1 49 43 VAL . 11075 1 50 44 LYS . 11075 1 51 45 ASP . 11075 1 52 46 THR . 11075 1 53 47 HIS . 11075 1 54 48 LEU . 11075 1 55 49 ARG . 11075 1 56 50 GLN . 11075 1 57 51 LYS . 11075 1 58 52 TRP . 11075 1 59 53 GLN . 11075 1 60 54 GLN . 11075 1 61 55 VAL . 11075 1 62 56 TRP . 11075 1 63 57 GLN . 11075 1 64 58 GLU . 11075 1 65 59 ILE . 11075 1 66 60 ASN . 11075 1 67 61 VAL . 11075 1 68 62 GLU . 11075 1 69 63 ALA . 11075 1 70 64 LYS . 11075 1 71 65 GLN . 11075 1 72 66 VAL . 11075 1 73 67 LYS . 11075 1 74 68 ASP . 11075 1 75 69 ILE . 11075 1 76 70 MET . 11075 1 77 71 LYS . 11075 1 78 72 THR . 11075 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11075 1 . SER 2 2 11075 1 . ASP 3 3 11075 1 . HIS 4 4 11075 1 . MET 5 5 11075 1 . THR 6 6 11075 1 . MET 7 7 11075 1 . SER 8 8 11075 1 . LEU 9 9 11075 1 . GLN 10 10 11075 1 . MET 11 11 11075 1 . ILE 12 12 11075 1 . VAL 13 13 11075 1 . GLU 14 14 11075 1 . ASN 15 15 11075 1 . VAL 16 16 11075 1 . LYS 17 17 11075 1 . LEU 18 18 11075 1 . ALA 19 19 11075 1 . ARG 20 20 11075 1 . GLU 21 21 11075 1 . TYR 22 22 11075 1 . ALA 23 23 11075 1 . LEU 24 24 11075 1 . LEU 25 25 11075 1 . GLY 26 26 11075 1 . ASN 27 27 11075 1 . TYR 28 28 11075 1 . ASP 29 29 11075 1 . SER 30 30 11075 1 . ALA 31 31 11075 1 . MET 32 32 11075 1 . VAL 33 33 11075 1 . TYR 34 34 11075 1 . TYR 35 35 11075 1 . GLN 36 36 11075 1 . GLY 37 37 11075 1 . VAL 38 38 11075 1 . LEU 39 39 11075 1 . ASP 40 40 11075 1 . GLN 41 41 11075 1 . MET 42 42 11075 1 . ASN 43 43 11075 1 . LYS 44 44 11075 1 . TYR 45 45 11075 1 . LEU 46 46 11075 1 . TYR 47 47 11075 1 . SER 48 48 11075 1 . VAL 49 49 11075 1 . LYS 50 50 11075 1 . ASP 51 51 11075 1 . THR 52 52 11075 1 . HIS 53 53 11075 1 . LEU 54 54 11075 1 . ARG 55 55 11075 1 . GLN 56 56 11075 1 . LYS 57 57 11075 1 . TRP 58 58 11075 1 . GLN 59 59 11075 1 . GLN 60 60 11075 1 . VAL 61 61 11075 1 . TRP 62 62 11075 1 . GLN 63 63 11075 1 . GLU 64 64 11075 1 . ILE 65 65 11075 1 . ASN 66 66 11075 1 . VAL 67 67 11075 1 . GLU 68 68 11075 1 . ALA 69 69 11075 1 . LYS 70 70 11075 1 . GLN 71 71 11075 1 . VAL 72 72 11075 1 . LYS 73 73 11075 1 . ASP 74 74 11075 1 . ILE 75 75 11075 1 . MET 76 76 11075 1 . LYS 77 77 11075 1 . THR 78 78 11075 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 11075 _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 $kp60-NTD . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11075 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 11075 _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 $kp60-NTD . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEX-4T3 . . . . . . 11075 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11075 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'N-terminal domain of kp60' '[U-13C; U-15N]' . . 1 $kp60-NTD . . 0.5 . . mM . . . . 11075 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11075 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 11075 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 11075 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 11075 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11075 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'N-terminal domain of kp60' '[U-13C; U-15N]' . . 1 $kp60-NTD . . 0.7 . . mM . . . . 11075 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11075 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11075 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 11075 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 11075 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 11075 2 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 11075 _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' 0.05 . M 11075 1 pH 6.5 . pH 11075 1 pressure 1 . atm 11075 1 temperature 298 . K 11075 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11075 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11075 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11075 1 'structure solution' 11075 1 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 11075 _Software.ID 2 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 11075 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11075 2 refinement 11075 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11075 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11075 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11075 3 refinement 11075 3 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11075 _Software.ID 4 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11075 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11075 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11075 _Software.ID 5 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11075 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11075 5 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 11075 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 11075 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11075 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11075 _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 Bruker DMX . 500 . . . 11075 1 2 spectrometer_2 Bruker DMX . 800 . . . 11075 1 3 spectrometer_3 Varian INOVA . 900 . . . 11075 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 11075 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11075 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11075 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11075 1 4 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11075 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11075 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11075 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11075 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11075 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11075 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11075 1 11 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11075 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 11075 _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 dioxane 'methylene carbons' . . . . ppm 69.46 external direct 1.0 . . . . . . . . . 11075 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 11075 1 N 15 TMS 'methyl protons' . . . . ppm 0 external indirect 0.10136767 . . . . . . . . . 11075 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 11075 _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 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11075 1 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11075 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11075 1 4 '3D C(CO)NH' 2 $sample_2 isotropic 11075 1 6 '3D HNCACB' 1 $sample_1 isotropic 11075 1 7 '3D H(CCO)NH' 2 $sample_2 isotropic 11075 1 8 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11075 1 11 '3D HNCA' 1 $sample_1 isotropic 11075 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.487 0.000 . 1 . . . . -5 SER HA . 11075 1 2 . 1 1 2 2 SER HB2 H 1 3.812 0.000 . 2 . . . . -5 SER QB . 11075 1 3 . 1 1 2 2 SER HB3 H 1 3.812 0.000 . 2 . . . . -5 SER QB . 11075 1 4 . 1 1 2 2 SER CB C 13 64.085 0.000 . 1 . . . . -5 SER CB . 11075 1 5 . 1 1 3 3 ASP H H 1 8.506 0.000 . 1 . . . . -4 ASP HN . 11075 1 6 . 1 1 3 3 ASP HA H 1 4.560 0.004 . 1 . . . . -4 ASP HA . 11075 1 7 . 1 1 3 3 ASP HB2 H 1 2.644 0.006 . 2 . . . . -4 ASP HB2 . 11075 1 8 . 1 1 3 3 ASP HB3 H 1 2.614 0.003 . 2 . . . . -4 ASP HB3 . 11075 1 9 . 1 1 3 3 ASP CA C 13 54.590 0.000 . 1 . . . . -4 ASP CA . 11075 1 10 . 1 1 3 3 ASP CB C 13 41.120 0.000 . 1 . . . . -4 ASP CB . 11075 1 11 . 1 1 3 3 ASP N N 15 122.146 0.000 . 1 . . . . -4 ASP N . 11075 1 12 . 1 1 4 4 HIS H H 1 8.056 0.000 . 1 . . . . -3 HIS HN . 11075 1 13 . 1 1 4 4 HIS HA H 1 4.540 0.002 . 1 . . . . -3 HIS HA . 11075 1 14 . 1 1 4 4 HIS HB2 H 1 3.138 0.003 . 2 . . . . -3 HIS HB2 . 11075 1 15 . 1 1 4 4 HIS HB3 H 1 3.092 0.005 . 2 . . . . -3 HIS HB3 . 11075 1 16 . 1 1 4 4 HIS HD2 H 1 7.031 0.000 . 1 . . . . -3 HIS HD2 . 11075 1 17 . 1 1 4 4 HIS CA C 13 56.664 0.100 . 1 . . . . -3 HIS CA . 11075 1 18 . 1 1 4 4 HIS CB C 13 30.375 0.000 . 1 . . . . -3 HIS CB . 11075 1 19 . 1 1 4 4 HIS CD2 C 13 119.821 0.000 . 1 . . . . -3 HIS CD2 . 11075 1 20 . 1 1 4 4 HIS N N 15 120.823 0.000 . 1 . . . . -3 HIS N . 11075 1 21 . 1 1 5 5 MET H H 1 8.295 0.000 . 1 . . . . -2 MET HN . 11075 1 22 . 1 1 5 5 MET HA H 1 4.400 0.003 . 1 . . . . -2 MET HA . 11075 1 23 . 1 1 5 5 MET HB2 H 1 2.040 0.007 . 2 . . . . -2 MET HB2 . 11075 1 24 . 1 1 5 5 MET HB3 H 1 1.997 0.008 . 2 . . . . -2 MET HB3 . 11075 1 25 . 1 1 5 5 MET HE1 H 1 1.966 0.000 . 1 . . . . -2 MET QE . 11075 1 26 . 1 1 5 5 MET HE2 H 1 1.966 0.000 . 1 . . . . -2 MET QE . 11075 1 27 . 1 1 5 5 MET HE3 H 1 1.966 0.000 . 1 . . . . -2 MET QE . 11075 1 28 . 1 1 5 5 MET HG2 H 1 2.459 0.005 . 2 . . . . -2 MET HG2 . 11075 1 29 . 1 1 5 5 MET HG3 H 1 2.394 0.011 . 2 . . . . -2 MET HG3 . 11075 1 30 . 1 1 5 5 MET CA C 13 56.450 0.072 . 1 . . . . -2 MET CA . 11075 1 31 . 1 1 5 5 MET CB C 13 32.580 0.000 . 1 . . . . -2 MET CB . 11075 1 32 . 1 1 5 5 MET CE C 13 17.031 0.000 . 1 . . . . -2 MET CE . 11075 1 33 . 1 1 5 5 MET CG C 13 31.854 0.087 . 1 . . . . -2 MET CG . 11075 1 34 . 1 1 5 5 MET N N 15 121.127 0.000 . 1 . . . . -2 MET N . 11075 1 35 . 1 1 6 6 THR H H 1 8.151 0.000 . 1 . . . . -1 THR HN . 11075 1 36 . 1 1 6 6 THR HA H 1 3.804 0.009 . 1 . . . . -1 THR HA . 11075 1 37 . 1 1 6 6 THR HB H 1 4.161 0.000 . 1 . . . . -1 THR HB . 11075 1 38 . 1 1 6 6 THR HG21 H 1 1.199 0.005 . 1 . . . . -1 THR QG2 . 11075 1 39 . 1 1 6 6 THR HG22 H 1 1.199 0.005 . 1 . . . . -1 THR QG2 . 11075 1 40 . 1 1 6 6 THR HG23 H 1 1.199 0.005 . 1 . . . . -1 THR QG2 . 11075 1 41 . 1 1 6 6 THR CA C 13 63.052 0.204 . 1 . . . . -1 THR CA . 11075 1 42 . 1 1 6 6 THR CB C 13 69.512 0.000 . 1 . . . . -1 THR CB . 11075 1 43 . 1 1 6 6 THR CG2 C 13 21.814 0.117 . 1 . . . . -1 THR CG2 . 11075 1 44 . 1 1 6 6 THR N N 15 116.124 0.000 . 1 . . . . -1 THR N . 11075 1 45 . 1 1 7 7 MET H H 1 8.070 0.000 . 1 . . . . 1 MET HN . 11075 1 46 . 1 1 7 7 MET HA H 1 4.379 0.006 . 1 . . . . 1 MET HA . 11075 1 47 . 1 1 7 7 MET HB2 H 1 1.835 0.009 . 2 . . . . 1 MET HB2 . 11075 1 48 . 1 1 7 7 MET HB3 H 1 1.791 0.009 . 2 . . . . 1 MET HB3 . 11075 1 49 . 1 1 7 7 MET HE1 H 1 1.839 0.002 . 1 . . . . 1 MET QE . 11075 1 50 . 1 1 7 7 MET HE2 H 1 1.839 0.002 . 1 . . . . 1 MET QE . 11075 1 51 . 1 1 7 7 MET HE3 H 1 1.839 0.002 . 1 . . . . 1 MET QE . 11075 1 52 . 1 1 7 7 MET HG2 H 1 2.315 0.004 . 2 . . . . 1 MET QG . 11075 1 53 . 1 1 7 7 MET HG3 H 1 2.315 0.004 . 2 . . . . 1 MET QG . 11075 1 54 . 1 1 7 7 MET CA C 13 56.554 0.092 . 1 . . . . 1 MET CA . 11075 1 55 . 1 1 7 7 MET CB C 13 33.110 0.000 . 1 . . . . 1 MET CB . 11075 1 56 . 1 1 7 7 MET CE C 13 16.271 0.000 . 1 . . . . 1 MET CE . 11075 1 57 . 1 1 7 7 MET CG C 13 32.130 0.000 . 1 . . . . 1 MET CG . 11075 1 58 . 1 1 7 7 MET N N 15 122.252 0.000 . 1 . . . . 1 MET N . 11075 1 59 . 1 1 8 8 SER H H 1 8.027 0.000 . 1 . . . . 2 SER HN . 11075 1 60 . 1 1 8 8 SER HA H 1 4.487 0.001 . 1 . . . . 2 SER HA . 11075 1 61 . 1 1 8 8 SER HB2 H 1 3.825 0.002 . 2 . . . . 2 SER HB2 . 11075 1 62 . 1 1 8 8 SER HB3 H 1 3.793 0.002 . 2 . . . . 2 SER HB3 . 11075 1 63 . 1 1 8 8 SER CA C 13 58.227 0.000 . 1 . . . . 2 SER CA . 11075 1 64 . 1 1 8 8 SER CB C 13 63.665 0.000 . 1 . . . . 2 SER CB . 11075 1 65 . 1 1 8 8 SER N N 15 117.112 0.000 . 1 . . . . 2 SER N . 11075 1 66 . 1 1 9 9 LEU H H 1 8.393 0.000 . 1 . . . . 3 LEU HN . 11075 1 67 . 1 1 9 9 LEU HA H 1 3.763 0.007 . 1 . . . . 3 LEU HA . 11075 1 68 . 1 1 9 9 LEU HB2 H 1 1.308 0.004 . 2 . . . . 3 LEU HB2 . 11075 1 69 . 1 1 9 9 LEU HB3 H 1 1.274 0.005 . 2 . . . . 3 LEU HB3 . 11075 1 70 . 1 1 9 9 LEU HD11 H 1 0.265 0.007 . 2 . . . . 3 LEU QQD . 11075 1 71 . 1 1 9 9 LEU HD12 H 1 0.265 0.007 . 2 . . . . 3 LEU QQD . 11075 1 72 . 1 1 9 9 LEU HD13 H 1 0.265 0.007 . 2 . . . . 3 LEU QQD . 11075 1 73 . 1 1 9 9 LEU HD21 H 1 0.265 0.007 . 2 . . . . 3 LEU QQD . 11075 1 74 . 1 1 9 9 LEU HD22 H 1 0.265 0.007 . 2 . . . . 3 LEU QQD . 11075 1 75 . 1 1 9 9 LEU HD23 H 1 0.265 0.007 . 2 . . . . 3 LEU QQD . 11075 1 76 . 1 1 9 9 LEU HG H 1 1.242 0.004 . 1 . . . . 3 LEU HG . 11075 1 77 . 1 1 9 9 LEU CA C 13 57.511 0.096 . 1 . . . . 3 LEU CA . 11075 1 78 . 1 1 9 9 LEU CB C 13 40.660 0.000 . 1 . . . . 3 LEU CB . 11075 1 79 . 1 1 9 9 LEU CD1 C 13 23.309 0.082 . 2 . . . . 3 LEU CD1 . 11075 1 80 . 1 1 9 9 LEU CD2 C 13 23.228 0.000 . 2 . . . . 3 LEU CD2 . 11075 1 81 . 1 1 9 9 LEU CG C 13 26.398 0.044 . 1 . . . . 3 LEU CG . 11075 1 82 . 1 1 9 9 LEU N N 15 123.730 0.000 . 1 . . . . 3 LEU N . 11075 1 83 . 1 1 10 10 GLN H H 1 8.163 0.000 . 1 . . . . 4 GLN HN . 11075 1 84 . 1 1 10 10 GLN HA H 1 4.170 0.005 . 1 . . . . 4 GLN HA . 11075 1 85 . 1 1 10 10 GLN HB2 H 1 2.254 0.015 . 2 . . . . 4 GLN HB2 . 11075 1 86 . 1 1 10 10 GLN HB3 H 1 2.211 0.004 . 2 . . . . 4 GLN HB3 . 11075 1 87 . 1 1 10 10 GLN HE21 H 1 7.692 0.000 . 2 . . . . 4 GLN HE21 . 11075 1 88 . 1 1 10 10 GLN HE22 H 1 6.812 0.000 . 2 . . . . 4 GLN HE22 . 11075 1 89 . 1 1 10 10 GLN HG2 H 1 2.524 0.007 . 2 . . . . 4 GLN HG2 . 11075 1 90 . 1 1 10 10 GLN HG3 H 1 2.402 0.005 . 2 . . . . 4 GLN HG3 . 11075 1 91 . 1 1 10 10 GLN CA C 13 59.249 0.033 . 1 . . . . 4 GLN CA . 11075 1 92 . 1 1 10 10 GLN CB C 13 27.950 0.081 . 1 . . . . 4 GLN CB . 11075 1 93 . 1 1 10 10 GLN CG C 13 34.342 0.076 . 1 . . . . 4 GLN CG . 11075 1 94 . 1 1 10 10 GLN N N 15 117.482 0.000 . 1 . . . . 4 GLN N . 11075 1 95 . 1 1 10 10 GLN NE2 N 15 112.335 0.000 . 1 . . . . 4 GLN NE2 . 11075 1 96 . 1 1 11 11 MET H H 1 7.756 0.000 . 1 . . . . 5 MET HN . 11075 1 97 . 1 1 11 11 MET N N 15 119.187 0.000 . 1 . . . . 5 MET N . 11075 1 98 . 1 1 12 12 ILE H H 1 7.737 0.000 . 1 . . . . 6 ILE HN . 11075 1 99 . 1 1 12 12 ILE HA H 1 3.743 0.003 . 1 . . . . 6 ILE HA . 11075 1 100 . 1 1 12 12 ILE HB H 1 2.070 0.004 . 1 . . . . 6 ILE HB . 11075 1 101 . 1 1 12 12 ILE HD11 H 1 0.669 0.000 . 1 . . . . 6 ILE QD1 . 11075 1 102 . 1 1 12 12 ILE HD12 H 1 0.669 0.000 . 1 . . . . 6 ILE QD1 . 11075 1 103 . 1 1 12 12 ILE HD13 H 1 0.669 0.000 . 1 . . . . 6 ILE QD1 . 11075 1 104 . 1 1 12 12 ILE HG12 H 1 1.695 0.013 . 2 . . . . 6 ILE HG12 . 11075 1 105 . 1 1 12 12 ILE HG13 H 1 1.138 0.005 . 2 . . . . 6 ILE HG13 . 11075 1 106 . 1 1 12 12 ILE HG21 H 1 0.884 0.007 . 1 . . . . 6 ILE QG2 . 11075 1 107 . 1 1 12 12 ILE HG22 H 1 0.884 0.007 . 1 . . . . 6 ILE QG2 . 11075 1 108 . 1 1 12 12 ILE HG23 H 1 0.884 0.007 . 1 . . . . 6 ILE QG2 . 11075 1 109 . 1 1 12 12 ILE CA C 13 65.367 0.068 . 1 . . . . 6 ILE CA . 11075 1 110 . 1 1 12 12 ILE CB C 13 37.865 0.076 . 1 . . . . 6 ILE CB . 11075 1 111 . 1 1 12 12 ILE CD1 C 13 11.192 0.000 . 1 . . . . 6 ILE CD1 . 11075 1 112 . 1 1 12 12 ILE CG1 C 13 29.158 0.072 . 1 . . . . 6 ILE CG1 . 11075 1 113 . 1 1 12 12 ILE CG2 C 13 17.560 0.188 . 1 . . . . 6 ILE CG2 . 11075 1 114 . 1 1 12 12 ILE N N 15 120.456 0.000 . 1 . . . . 6 ILE N . 11075 1 115 . 1 1 13 13 VAL H H 1 8.080 0.000 . 1 . . . . 7 VAL HN . 11075 1 116 . 1 1 13 13 VAL HA H 1 3.613 0.008 . 1 . . . . 7 VAL HA . 11075 1 117 . 1 1 13 13 VAL HB H 1 2.207 0.009 . 1 . . . . 7 VAL HB . 11075 1 118 . 1 1 13 13 VAL HG11 H 1 0.967 0.007 . 2 . . . . 7 VAL QG1 . 11075 1 119 . 1 1 13 13 VAL HG12 H 1 0.967 0.007 . 2 . . . . 7 VAL QG1 . 11075 1 120 . 1 1 13 13 VAL HG13 H 1 0.967 0.007 . 2 . . . . 7 VAL QG1 . 11075 1 121 . 1 1 13 13 VAL HG21 H 1 1.049 0.007 . 2 . . . . 7 VAL QG2 . 11075 1 122 . 1 1 13 13 VAL HG22 H 1 1.049 0.007 . 2 . . . . 7 VAL QG2 . 11075 1 123 . 1 1 13 13 VAL HG23 H 1 1.049 0.007 . 2 . . . . 7 VAL QG2 . 11075 1 124 . 1 1 13 13 VAL CA C 13 66.769 0.000 . 1 . . . . 7 VAL CA . 11075 1 125 . 1 1 13 13 VAL CB C 13 31.730 0.000 . 1 . . . . 7 VAL CB . 11075 1 126 . 1 1 13 13 VAL CG1 C 13 21.242 0.075 . 2 . . . . 7 VAL CG1 . 11075 1 127 . 1 1 13 13 VAL CG2 C 13 22.606 0.099 . 2 . . . . 7 VAL CG2 . 11075 1 128 . 1 1 13 13 VAL N N 15 117.627 0.000 . 1 . . . . 7 VAL N . 11075 1 129 . 1 1 14 14 GLU H H 1 7.958 0.000 . 1 . . . . 8 GLU HN . 11075 1 130 . 1 1 14 14 GLU HA H 1 4.022 0.003 . 1 . . . . 8 GLU HA . 11075 1 131 . 1 1 14 14 GLU HB2 H 1 2.094 0.021 . 2 . . . . 8 GLU HB2 . 11075 1 132 . 1 1 14 14 GLU HB3 H 1 2.052 0.018 . 2 . . . . 8 GLU HB3 . 11075 1 133 . 1 1 14 14 GLU HG2 H 1 2.369 0.006 . 2 . . . . 8 GLU QG . 11075 1 134 . 1 1 14 14 GLU HG3 H 1 2.369 0.006 . 2 . . . . 8 GLU QG . 11075 1 135 . 1 1 14 14 GLU CA C 13 59.335 0.117 . 1 . . . . 8 GLU CA . 11075 1 136 . 1 1 14 14 GLU CB C 13 28.890 0.000 . 1 . . . . 8 GLU CB . 11075 1 137 . 1 1 14 14 GLU CG C 13 35.909 0.108 . 1 . . . . 8 GLU CG . 11075 1 138 . 1 1 14 14 GLU N N 15 120.437 0.000 . 1 . . . . 8 GLU N . 11075 1 139 . 1 1 15 15 ASN H H 1 8.034 0.000 . 1 . . . . 9 ASN HN . 11075 1 140 . 1 1 15 15 ASN HA H 1 4.597 0.003 . 1 . . . . 9 ASN HA . 11075 1 141 . 1 1 15 15 ASN HB2 H 1 2.953 0.004 . 2 . . . . 9 ASN HB2 . 11075 1 142 . 1 1 15 15 ASN HB3 H 1 2.729 0.007 . 2 . . . . 9 ASN HB3 . 11075 1 143 . 1 1 15 15 ASN HD21 H 1 7.485 0.000 . 2 . . . . 9 ASN HD21 . 11075 1 144 . 1 1 15 15 ASN HD22 H 1 7.057 0.000 . 2 . . . . 9 ASN HD22 . 11075 1 145 . 1 1 15 15 ASN CA C 13 56.083 0.074 . 1 . . . . 9 ASN CA . 11075 1 146 . 1 1 15 15 ASN CB C 13 38.713 0.037 . 1 . . . . 9 ASN CB . 11075 1 147 . 1 1 15 15 ASN N N 15 118.066 0.000 . 1 . . . . 9 ASN N . 11075 1 148 . 1 1 15 15 ASN ND2 N 15 110.713 0.005 . 1 . . . . 9 ASN ND2 . 11075 1 149 . 1 1 16 16 VAL H H 1 8.467 0.000 . 1 . . . . 10 VAL HN . 11075 1 150 . 1 1 16 16 VAL HA H 1 3.469 0.004 . 1 . . . . 10 VAL HA . 11075 1 151 . 1 1 16 16 VAL HB H 1 2.216 0.007 . 1 . . . . 10 VAL HB . 11075 1 152 . 1 1 16 16 VAL HG11 H 1 1.116 0.004 . 2 . . . . 10 VAL QG1 . 11075 1 153 . 1 1 16 16 VAL HG12 H 1 1.116 0.004 . 2 . . . . 10 VAL QG1 . 11075 1 154 . 1 1 16 16 VAL HG13 H 1 1.116 0.004 . 2 . . . . 10 VAL QG1 . 11075 1 155 . 1 1 16 16 VAL HG21 H 1 0.974 0.007 . 2 . . . . 10 VAL QG2 . 11075 1 156 . 1 1 16 16 VAL HG22 H 1 0.974 0.007 . 2 . . . . 10 VAL QG2 . 11075 1 157 . 1 1 16 16 VAL HG23 H 1 0.974 0.007 . 2 . . . . 10 VAL QG2 . 11075 1 158 . 1 1 16 16 VAL CA C 13 66.705 0.093 . 1 . . . . 10 VAL CA . 11075 1 159 . 1 1 16 16 VAL CB C 13 31.229 0.133 . 1 . . . . 10 VAL CB . 11075 1 160 . 1 1 16 16 VAL CG1 C 13 25.031 0.000 . 2 . . . . 10 VAL CG1 . 11075 1 161 . 1 1 16 16 VAL CG2 C 13 21.080 0.030 . 2 . . . . 10 VAL CG2 . 11075 1 162 . 1 1 16 16 VAL N N 15 122.424 0.000 . 1 . . . . 10 VAL N . 11075 1 163 . 1 1 17 17 LYS H H 1 7.689 0.000 . 1 . . . . 11 LYS HN . 11075 1 164 . 1 1 17 17 LYS HA H 1 3.819 0.006 . 1 . . . . 11 LYS HA . 11075 1 165 . 1 1 17 17 LYS HB2 H 1 1.874 0.006 . 2 . . . . 11 LYS QB . 11075 1 166 . 1 1 17 17 LYS HB3 H 1 1.874 0.006 . 2 . . . . 11 LYS QB . 11075 1 167 . 1 1 17 17 LYS HD2 H 1 1.617 0.006 . 2 . . . . 11 LYS QD . 11075 1 168 . 1 1 17 17 LYS HD3 H 1 1.617 0.006 . 2 . . . . 11 LYS QD . 11075 1 169 . 1 1 17 17 LYS HE2 H 1 2.891 0.009 . 2 . . . . 11 LYS QE . 11075 1 170 . 1 1 17 17 LYS HE3 H 1 2.891 0.009 . 2 . . . . 11 LYS QE . 11075 1 171 . 1 1 17 17 LYS HG2 H 1 1.517 0.009 . 2 . . . . 11 LYS HG2 . 11075 1 172 . 1 1 17 17 LYS HG3 H 1 1.272 0.004 . 2 . . . . 11 LYS HG3 . 11075 1 173 . 1 1 17 17 LYS CA C 13 59.989 0.071 . 1 . . . . 11 LYS CA . 11075 1 174 . 1 1 17 17 LYS CB C 13 31.831 0.000 . 1 . . . . 11 LYS CB . 11075 1 175 . 1 1 17 17 LYS CD C 13 29.670 0.000 . 1 . . . . 11 LYS CD . 11075 1 176 . 1 1 17 17 LYS CG C 13 25.180 0.000 . 1 . . . . 11 LYS CG . 11075 1 177 . 1 1 17 17 LYS N N 15 119.816 0.000 . 1 . . . . 11 LYS N . 11075 1 178 . 1 1 18 18 LEU H H 1 7.206 0.000 . 1 . . . . 12 LEU HN . 11075 1 179 . 1 1 18 18 LEU HA H 1 3.728 0.004 . 1 . . . . 12 LEU HA . 11075 1 180 . 1 1 18 18 LEU HB2 H 1 1.331 0.016 . 2 . . . . 12 LEU QB . 11075 1 181 . 1 1 18 18 LEU HB3 H 1 1.331 0.016 . 2 . . . . 12 LEU QB . 11075 1 182 . 1 1 18 18 LEU HD11 H 1 0.658 0.005 . 2 . . . . 12 LEU QD1 . 11075 1 183 . 1 1 18 18 LEU HD12 H 1 0.658 0.005 . 2 . . . . 12 LEU QD1 . 11075 1 184 . 1 1 18 18 LEU HD13 H 1 0.658 0.005 . 2 . . . . 12 LEU QD1 . 11075 1 185 . 1 1 18 18 LEU HD21 H 1 0.503 0.002 . 2 . . . . 12 LEU QD2 . 11075 1 186 . 1 1 18 18 LEU HD22 H 1 0.503 0.002 . 2 . . . . 12 LEU QD2 . 11075 1 187 . 1 1 18 18 LEU HD23 H 1 0.503 0.002 . 2 . . . . 12 LEU QD2 . 11075 1 188 . 1 1 18 18 LEU HG H 1 1.330 0.016 . 1 . . . . 12 LEU HG . 11075 1 189 . 1 1 18 18 LEU CA C 13 57.372 0.093 . 1 . . . . 12 LEU CA . 11075 1 190 . 1 1 18 18 LEU CB C 13 40.811 0.000 . 1 . . . . 12 LEU CB . 11075 1 191 . 1 1 18 18 LEU CD1 C 13 24.830 0.076 . 2 . . . . 12 LEU CD1 . 11075 1 192 . 1 1 18 18 LEU CD2 C 13 23.217 0.023 . 2 . . . . 12 LEU CD2 . 11075 1 193 . 1 1 18 18 LEU CG C 13 26.688 0.144 . 1 . . . . 12 LEU CG . 11075 1 194 . 1 1 18 18 LEU N N 15 119.145 0.000 . 1 . . . . 12 LEU N . 11075 1 195 . 1 1 19 19 ALA H H 1 7.712 0.000 . 1 . . . . 13 ALA HN . 11075 1 196 . 1 1 19 19 ALA HA H 1 3.729 0.003 . 1 . . . . 13 ALA HA . 11075 1 197 . 1 1 19 19 ALA HB1 H 1 0.592 0.006 . 1 . . . . 13 ALA QB . 11075 1 198 . 1 1 19 19 ALA HB2 H 1 0.592 0.006 . 1 . . . . 13 ALA QB . 11075 1 199 . 1 1 19 19 ALA HB3 H 1 0.592 0.006 . 1 . . . . 13 ALA QB . 11075 1 200 . 1 1 19 19 ALA CA C 13 56.380 0.082 . 1 . . . . 13 ALA CA . 11075 1 201 . 1 1 19 19 ALA CB C 13 16.555 0.000 . 1 . . . . 13 ALA CB . 11075 1 202 . 1 1 19 19 ALA N N 15 121.850 0.000 . 1 . . . . 13 ALA N . 11075 1 203 . 1 1 20 20 ARG H H 1 8.025 0.000 . 1 . . . . 14 ARG HN . 11075 1 204 . 1 1 20 20 ARG HA H 1 3.866 0.002 . 1 . . . . 14 ARG HA . 11075 1 205 . 1 1 20 20 ARG HB2 H 1 1.822 0.002 . 2 . . . . 14 ARG HB2 . 11075 1 206 . 1 1 20 20 ARG HB3 H 1 1.790 0.007 . 2 . . . . 14 ARG HB3 . 11075 1 207 . 1 1 20 20 ARG HD2 H 1 2.899 0.000 . 2 . . . . 14 ARG QD . 11075 1 208 . 1 1 20 20 ARG HD3 H 1 2.899 0.000 . 2 . . . . 14 ARG QD . 11075 1 209 . 1 1 20 20 ARG HG2 H 1 1.505 0.000 . 2 . . . . 14 ARG HG2 . 11075 1 210 . 1 1 20 20 ARG HG3 H 1 1.419 0.000 . 2 . . . . 14 ARG HG3 . 11075 1 211 . 1 1 20 20 ARG CA C 13 59.708 0.036 . 1 . . . . 14 ARG CA . 11075 1 212 . 1 1 20 20 ARG CB C 13 30.482 0.000 . 1 . . . . 14 ARG CB . 11075 1 213 . 1 1 20 20 ARG CD C 13 41.990 0.000 . 1 . . . . 14 ARG CD . 11075 1 214 . 1 1 20 20 ARG CG C 13 25.211 0.000 . 1 . . . . 14 ARG CG . 11075 1 215 . 1 1 20 20 ARG N N 15 114.634 0.000 . 1 . . . . 14 ARG N . 11075 1 216 . 1 1 21 21 GLU H H 1 7.918 0.000 . 1 . . . . 15 GLU HN . 11075 1 217 . 1 1 21 21 GLU HA H 1 3.884 0.007 . 1 . . . . 15 GLU HA . 11075 1 218 . 1 1 21 21 GLU HB2 H 1 1.944 0.012 . 2 . . . . 15 GLU HB2 . 11075 1 219 . 1 1 21 21 GLU HB3 H 1 1.789 0.005 . 2 . . . . 15 GLU HB3 . 11075 1 220 . 1 1 21 21 GLU HG2 H 1 2.177 0.094 . 2 . . . . 15 GLU HG2 . 11075 1 221 . 1 1 21 21 GLU HG3 H 1 2.023 0.097 . 2 . . . . 15 GLU HG3 . 11075 1 222 . 1 1 21 21 GLU CA C 13 59.476 0.104 . 1 . . . . 15 GLU CA . 11075 1 223 . 1 1 21 21 GLU CB C 13 29.195 0.067 . 1 . . . . 15 GLU CB . 11075 1 224 . 1 1 21 21 GLU CG C 13 35.970 0.062 . 1 . . . . 15 GLU CG . 11075 1 225 . 1 1 21 21 GLU N N 15 121.095 0.000 . 1 . . . . 15 GLU N . 11075 1 226 . 1 1 22 22 TYR H H 1 8.345 0.000 . 1 . . . . 16 TYR HN . 11075 1 227 . 1 1 22 22 TYR HA H 1 4.242 0.005 . 1 . . . . 16 TYR HA . 11075 1 228 . 1 1 22 22 TYR HB2 H 1 2.724 0.012 . 2 . . . . 16 TYR HB2 . 11075 1 229 . 1 1 22 22 TYR HB3 H 1 3.358 0.010 . 2 . . . . 16 TYR HB3 . 11075 1 230 . 1 1 22 22 TYR HD1 H 1 6.904 0.003 . 3 . . . . 16 TYR QD . 11075 1 231 . 1 1 22 22 TYR HD2 H 1 6.904 0.003 . 3 . . . . 16 TYR QD . 11075 1 232 . 1 1 22 22 TYR HE1 H 1 6.530 0.002 . 3 . . . . 16 TYR QE . 11075 1 233 . 1 1 22 22 TYR HE2 H 1 6.530 0.002 . 3 . . . . 16 TYR QE . 11075 1 234 . 1 1 22 22 TYR CA C 13 62.171 0.046 . 1 . . . . 16 TYR CA . 11075 1 235 . 1 1 22 22 TYR CB C 13 36.651 0.044 . 1 . . . . 16 TYR CB . 11075 1 236 . 1 1 22 22 TYR CD1 C 13 132.347 0.035 . 3 . . . . 16 TYR CD1 . 11075 1 237 . 1 1 22 22 TYR CD2 C 13 132.347 0.035 . 3 . . . . 16 TYR CD2 . 11075 1 238 . 1 1 22 22 TYR CE1 C 13 118.558 0.049 . 3 . . . . 16 TYR CE1 . 11075 1 239 . 1 1 22 22 TYR CE2 C 13 118.558 0.049 . 3 . . . . 16 TYR CE2 . 11075 1 240 . 1 1 22 22 TYR N N 15 117.393 0.000 . 1 . . . . 16 TYR N . 11075 1 241 . 1 1 23 23 ALA H H 1 8.377 0.000 . 1 . . . . 17 ALA HN . 11075 1 242 . 1 1 23 23 ALA HA H 1 3.765 0.003 . 1 . . . . 17 ALA HA . 11075 1 243 . 1 1 23 23 ALA HB1 H 1 1.644 0.002 . 1 . . . . 17 ALA QB . 11075 1 244 . 1 1 23 23 ALA HB2 H 1 1.644 0.002 . 1 . . . . 17 ALA QB . 11075 1 245 . 1 1 23 23 ALA HB3 H 1 1.644 0.002 . 1 . . . . 17 ALA QB . 11075 1 246 . 1 1 23 23 ALA CA C 13 55.813 0.031 . 1 . . . . 17 ALA CA . 11075 1 247 . 1 1 23 23 ALA CB C 13 17.671 0.000 . 1 . . . . 17 ALA CB . 11075 1 248 . 1 1 23 23 ALA N N 15 121.947 0.000 . 1 . . . . 17 ALA N . 11075 1 249 . 1 1 24 24 LEU H H 1 8.127 0.000 . 1 . . . . 18 LEU HN . 11075 1 250 . 1 1 24 24 LEU HA H 1 4.067 0.003 . 1 . . . . 18 LEU HA . 11075 1 251 . 1 1 24 24 LEU HB2 H 1 1.824 0.007 . 2 . . . . 18 LEU HB2 . 11075 1 252 . 1 1 24 24 LEU HB3 H 1 1.653 0.006 . 2 . . . . 18 LEU HB3 . 11075 1 253 . 1 1 24 24 LEU HD11 H 1 0.847 0.002 . 2 . . . . 18 LEU QD1 . 11075 1 254 . 1 1 24 24 LEU HD12 H 1 0.847 0.002 . 2 . . . . 18 LEU QD1 . 11075 1 255 . 1 1 24 24 LEU HD13 H 1 0.847 0.002 . 2 . . . . 18 LEU QD1 . 11075 1 256 . 1 1 24 24 LEU HD21 H 1 0.849 0.002 . 2 . . . . 18 LEU QD2 . 11075 1 257 . 1 1 24 24 LEU HD22 H 1 0.849 0.002 . 2 . . . . 18 LEU QD2 . 11075 1 258 . 1 1 24 24 LEU HD23 H 1 0.849 0.002 . 2 . . . . 18 LEU QD2 . 11075 1 259 . 1 1 24 24 LEU HG H 1 1.702 0.002 . 1 . . . . 18 LEU HG . 11075 1 260 . 1 1 24 24 LEU CA C 13 58.211 0.037 . 1 . . . . 18 LEU CA . 11075 1 261 . 1 1 24 24 LEU CB C 13 41.874 0.117 . 1 . . . . 18 LEU CB . 11075 1 262 . 1 1 24 24 LEU CD1 C 13 24.247 0.079 . 2 . . . . 18 LEU CD1 . 11075 1 263 . 1 1 24 24 LEU CD2 C 13 24.247 0.079 . 2 . . . . 18 LEU CD2 . 11075 1 264 . 1 1 24 24 LEU CG C 13 27.058 0.104 . 1 . . . . 18 LEU CG . 11075 1 265 . 1 1 24 24 LEU N N 15 121.090 0.000 . 1 . . . . 18 LEU N . 11075 1 266 . 1 1 25 25 LEU H H 1 7.393 0.000 . 1 . . . . 19 LEU HN . 11075 1 267 . 1 1 25 25 LEU HA H 1 4.227 0.004 . 1 . . . . 19 LEU HA . 11075 1 268 . 1 1 25 25 LEU HB2 H 1 1.841 0.006 . 2 . . . . 19 LEU HB2 . 11075 1 269 . 1 1 25 25 LEU HB3 H 1 1.651 0.006 . 2 . . . . 19 LEU HB3 . 11075 1 270 . 1 1 25 25 LEU HD11 H 1 0.799 0.005 . 2 . . . . 19 LEU QD1 . 11075 1 271 . 1 1 25 25 LEU HD12 H 1 0.799 0.005 . 2 . . . . 19 LEU QD1 . 11075 1 272 . 1 1 25 25 LEU HD13 H 1 0.799 0.005 . 2 . . . . 19 LEU QD1 . 11075 1 273 . 1 1 25 25 LEU HD21 H 1 0.800 0.005 . 2 . . . . 19 LEU QD2 . 11075 1 274 . 1 1 25 25 LEU HD22 H 1 0.800 0.005 . 2 . . . . 19 LEU QD2 . 11075 1 275 . 1 1 25 25 LEU HD23 H 1 0.800 0.005 . 2 . . . . 19 LEU QD2 . 11075 1 276 . 1 1 25 25 LEU HG H 1 1.780 0.005 . 1 . . . . 19 LEU HG . 11075 1 277 . 1 1 25 25 LEU CA C 13 55.042 0.126 . 1 . . . . 19 LEU CA . 11075 1 278 . 1 1 25 25 LEU CB C 13 42.137 0.000 . 1 . . . . 19 LEU CB . 11075 1 279 . 1 1 25 25 LEU CD1 C 13 25.494 0.000 . 2 . . . . 19 LEU CD1 . 11075 1 280 . 1 1 25 25 LEU CD2 C 13 22.602 0.050 . 2 . . . . 19 LEU CD2 . 11075 1 281 . 1 1 25 25 LEU CG C 13 26.470 0.141 . 1 . . . . 19 LEU CG . 11075 1 282 . 1 1 25 25 LEU N N 15 117.008 0.000 . 1 . . . . 19 LEU N . 11075 1 283 . 1 1 26 26 GLY H H 1 7.722 0.000 . 1 . . . . 20 GLY HN . 11075 1 284 . 1 1 26 26 GLY HA2 H 1 3.976 0.001 . 2 . . . . 20 GLY HA2 . 11075 1 285 . 1 1 26 26 GLY HA3 H 1 3.026 0.003 . 2 . . . . 20 GLY HA3 . 11075 1 286 . 1 1 26 26 GLY CA C 13 44.591 0.055 . 1 . . . . 20 GLY CA . 11075 1 287 . 1 1 26 26 GLY N N 15 107.324 0.000 . 1 . . . . 20 GLY N . 11075 1 288 . 1 1 27 27 ASN H H 1 8.061 0.000 . 1 . . . . 21 ASN HN . 11075 1 289 . 1 1 27 27 ASN HA H 1 4.888 0.001 . 1 . . . . 21 ASN HA . 11075 1 290 . 1 1 27 27 ASN HB2 H 1 2.636 0.002 . 2 . . . . 21 ASN HB2 . 11075 1 291 . 1 1 27 27 ASN HB3 H 1 3.074 0.002 . 2 . . . . 21 ASN HB3 . 11075 1 292 . 1 1 27 27 ASN HD21 H 1 7.567 0.000 . 2 . . . . 21 ASN HD21 . 11075 1 293 . 1 1 27 27 ASN HD22 H 1 6.627 0.000 . 2 . . . . 21 ASN HD22 . 11075 1 294 . 1 1 27 27 ASN CA C 13 50.209 0.025 . 1 . . . . 21 ASN CA . 11075 1 295 . 1 1 27 27 ASN CB C 13 36.392 0.019 . 1 . . . . 21 ASN CB . 11075 1 296 . 1 1 27 27 ASN N N 15 120.038 0.000 . 1 . . . . 21 ASN N . 11075 1 297 . 1 1 27 27 ASN ND2 N 15 110.300 0.005 . 1 . . . . 21 ASN ND2 . 11075 1 298 . 1 1 28 28 TYR H H 1 7.360 0.000 . 1 . . . . 22 TYR HN . 11075 1 299 . 1 1 28 28 TYR HA H 1 4.103 0.007 . 1 . . . . 22 TYR HA . 11075 1 300 . 1 1 28 28 TYR HB2 H 1 3.299 0.004 . 2 . . . . 22 TYR HB2 . 11075 1 301 . 1 1 28 28 TYR HB3 H 1 2.926 0.010 . 2 . . . . 22 TYR HB3 . 11075 1 302 . 1 1 28 28 TYR HD1 H 1 7.056 0.002 . 3 . . . . 22 TYR QD . 11075 1 303 . 1 1 28 28 TYR HD2 H 1 7.056 0.002 . 3 . . . . 22 TYR QD . 11075 1 304 . 1 1 28 28 TYR HE1 H 1 6.958 0.005 . 3 . . . . 22 TYR QE . 11075 1 305 . 1 1 28 28 TYR HE2 H 1 6.958 0.005 . 3 . . . . 22 TYR QE . 11075 1 306 . 1 1 28 28 TYR CA C 13 61.014 0.052 . 1 . . . . 22 TYR CA . 11075 1 307 . 1 1 28 28 TYR CB C 13 37.102 0.073 . 1 . . . . 22 TYR CB . 11075 1 308 . 1 1 28 28 TYR CD1 C 13 131.838 0.032 . 3 . . . . 22 TYR CD1 . 11075 1 309 . 1 1 28 28 TYR CD2 C 13 131.838 0.032 . 3 . . . . 22 TYR CD2 . 11075 1 310 . 1 1 28 28 TYR CE1 C 13 119.039 0.063 . 3 . . . . 22 TYR CE1 . 11075 1 311 . 1 1 28 28 TYR CE2 C 13 119.039 0.063 . 3 . . . . 22 TYR CE2 . 11075 1 312 . 1 1 28 28 TYR N N 15 121.589 0.000 . 1 . . . . 22 TYR N . 11075 1 313 . 1 1 29 29 ASP H H 1 8.610 0.000 . 1 . . . . 23 ASP HN . 11075 1 314 . 1 1 29 29 ASP HA H 1 4.314 0.004 . 1 . . . . 23 ASP HA . 11075 1 315 . 1 1 29 29 ASP HB2 H 1 2.634 0.004 . 2 . . . . 23 ASP QB . 11075 1 316 . 1 1 29 29 ASP HB3 H 1 2.634 0.004 . 2 . . . . 23 ASP QB . 11075 1 317 . 1 1 29 29 ASP CA C 13 57.722 0.042 . 1 . . . . 23 ASP CA . 11075 1 318 . 1 1 29 29 ASP CB C 13 39.910 0.000 . 1 . . . . 23 ASP CB . 11075 1 319 . 1 1 29 29 ASP N N 15 118.516 0.000 . 1 . . . . 23 ASP N . 11075 1 320 . 1 1 30 30 SER H H 1 7.481 0.000 . 1 . . . . 24 SER HN . 11075 1 321 . 1 1 30 30 SER HA H 1 4.076 0.004 . 1 . . . . 24 SER HA . 11075 1 322 . 1 1 30 30 SER HB2 H 1 2.894 0.006 . 2 . . . . 24 SER HB2 . 11075 1 323 . 1 1 30 30 SER HB3 H 1 2.724 0.001 . 2 . . . . 24 SER HB3 . 11075 1 324 . 1 1 30 30 SER CA C 13 61.872 0.103 . 1 . . . . 24 SER CA . 11075 1 325 . 1 1 30 30 SER CB C 13 61.574 0.016 . 1 . . . . 24 SER CB . 11075 1 326 . 1 1 30 30 SER N N 15 114.748 0.000 . 1 . . . . 24 SER N . 11075 1 327 . 1 1 31 31 ALA H H 1 8.045 0.000 . 1 . . . . 25 ALA HN . 11075 1 328 . 1 1 31 31 ALA HA H 1 4.135 0.010 . 1 . . . . 25 ALA HA . 11075 1 329 . 1 1 31 31 ALA HB1 H 1 1.707 0.003 . 1 . . . . 25 ALA QB . 11075 1 330 . 1 1 31 31 ALA HB2 H 1 1.707 0.003 . 1 . . . . 25 ALA QB . 11075 1 331 . 1 1 31 31 ALA HB3 H 1 1.707 0.003 . 1 . . . . 25 ALA QB . 11075 1 332 . 1 1 31 31 ALA CA C 13 56.554 0.000 . 1 . . . . 25 ALA CA . 11075 1 333 . 1 1 31 31 ALA CB C 13 18.124 0.050 . 1 . . . . 25 ALA CB . 11075 1 334 . 1 1 31 31 ALA N N 15 122.457 0.000 . 1 . . . . 25 ALA N . 11075 1 335 . 1 1 32 32 MET H H 1 8.510 0.000 . 1 . . . . 26 MET HN . 11075 1 336 . 1 1 32 32 MET HA H 1 4.731 0.016 . 1 . . . . 26 MET HA . 11075 1 337 . 1 1 32 32 MET HB2 H 1 2.270 0.007 . 2 . . . . 26 MET HB2 . 11075 1 338 . 1 1 32 32 MET HB3 H 1 2.209 0.009 . 2 . . . . 26 MET HB3 . 11075 1 339 . 1 1 32 32 MET HE1 H 1 2.037 0.003 . 1 . . . . 26 MET QE . 11075 1 340 . 1 1 32 32 MET HE2 H 1 2.037 0.003 . 1 . . . . 26 MET QE . 11075 1 341 . 1 1 32 32 MET HE3 H 1 2.037 0.003 . 1 . . . . 26 MET QE . 11075 1 342 . 1 1 32 32 MET HG2 H 1 2.768 0.005 . 2 . . . . 26 MET HG2 . 11075 1 343 . 1 1 32 32 MET HG3 H 1 2.702 0.004 . 2 . . . . 26 MET HG3 . 11075 1 344 . 1 1 32 32 MET CA C 13 57.255 0.115 . 1 . . . . 26 MET CA . 11075 1 345 . 1 1 32 32 MET CB C 13 30.496 0.000 . 1 . . . . 26 MET CB . 11075 1 346 . 1 1 32 32 MET CE C 13 15.941 0.000 . 1 . . . . 26 MET CE . 11075 1 347 . 1 1 32 32 MET CG C 13 32.130 0.000 . 1 . . . . 26 MET CG . 11075 1 348 . 1 1 32 32 MET N N 15 114.414 0.000 . 1 . . . . 26 MET N . 11075 1 349 . 1 1 33 33 VAL H H 1 7.497 0.000 . 1 . . . . 27 VAL HN . 11075 1 350 . 1 1 33 33 VAL HA H 1 3.619 0.005 . 1 . . . . 27 VAL HA . 11075 1 351 . 1 1 33 33 VAL HB H 1 2.077 0.005 . 1 . . . . 27 VAL HB . 11075 1 352 . 1 1 33 33 VAL HG11 H 1 0.993 0.011 . 2 . . . . 27 VAL QG1 . 11075 1 353 . 1 1 33 33 VAL HG12 H 1 0.993 0.011 . 2 . . . . 27 VAL QG1 . 11075 1 354 . 1 1 33 33 VAL HG13 H 1 0.993 0.011 . 2 . . . . 27 VAL QG1 . 11075 1 355 . 1 1 33 33 VAL HG21 H 1 0.561 0.001 . 2 . . . . 27 VAL QG2 . 11075 1 356 . 1 1 33 33 VAL HG22 H 1 0.561 0.001 . 2 . . . . 27 VAL QG2 . 11075 1 357 . 1 1 33 33 VAL HG23 H 1 0.561 0.001 . 2 . . . . 27 VAL QG2 . 11075 1 358 . 1 1 33 33 VAL CA C 13 67.136 0.481 . 1 . . . . 27 VAL CA . 11075 1 359 . 1 1 33 33 VAL CB C 13 31.412 0.107 . 1 . . . . 27 VAL CB . 11075 1 360 . 1 1 33 33 VAL CG1 C 13 22.510 0.000 . 2 . . . . 27 VAL CG1 . 11075 1 361 . 1 1 33 33 VAL CG2 C 13 20.633 0.062 . 2 . . . . 27 VAL CG2 . 11075 1 362 . 1 1 33 33 VAL N N 15 120.565 0.000 . 1 . . . . 27 VAL N . 11075 1 363 . 1 1 34 34 TYR H H 1 7.667 0.000 . 1 . . . . 28 TYR HN . 11075 1 364 . 1 1 34 34 TYR HA H 1 4.164 0.013 . 1 . . . . 28 TYR HA . 11075 1 365 . 1 1 34 34 TYR HB2 H 1 2.911 0.009 . 2 . . . . 28 TYR HB2 . 11075 1 366 . 1 1 34 34 TYR HB3 H 1 2.787 0.016 . 2 . . . . 28 TYR HB3 . 11075 1 367 . 1 1 34 34 TYR HD1 H 1 7.210 0.003 . 3 . . . . 28 TYR QD . 11075 1 368 . 1 1 34 34 TYR HD2 H 1 7.210 0.003 . 3 . . . . 28 TYR QD . 11075 1 369 . 1 1 34 34 TYR HE1 H 1 6.670 0.006 . 3 . . . . 28 TYR QE . 11075 1 370 . 1 1 34 34 TYR HE2 H 1 6.670 0.006 . 3 . . . . 28 TYR QE . 11075 1 371 . 1 1 34 34 TYR CA C 13 62.979 0.103 . 1 . . . . 28 TYR CA . 11075 1 372 . 1 1 34 34 TYR CB C 13 38.489 0.000 . 1 . . . . 28 TYR CB . 11075 1 373 . 1 1 34 34 TYR CD1 C 13 132.717 0.000 . 3 . . . . 28 TYR CD1 . 11075 1 374 . 1 1 34 34 TYR CD2 C 13 132.717 0.000 . 3 . . . . 28 TYR CD2 . 11075 1 375 . 1 1 34 34 TYR CE1 C 13 118.669 0.041 . 3 . . . . 28 TYR CE1 . 11075 1 376 . 1 1 34 34 TYR CE2 C 13 118.669 0.041 . 3 . . . . 28 TYR CE2 . 11075 1 377 . 1 1 34 34 TYR N N 15 119.500 0.000 . 1 . . . . 28 TYR N . 11075 1 378 . 1 1 35 35 TYR H H 1 9.265 0.000 . 1 . . . . 29 TYR HN . 11075 1 379 . 1 1 35 35 TYR HA H 1 4.150 0.007 . 1 . . . . 29 TYR HA . 11075 1 380 . 1 1 35 35 TYR HB2 H 1 3.087 0.010 . 2 . . . . 29 TYR HB2 . 11075 1 381 . 1 1 35 35 TYR HB3 H 1 2.793 0.005 . 2 . . . . 29 TYR HB3 . 11075 1 382 . 1 1 35 35 TYR HD1 H 1 6.906 0.002 . 3 . . . . 29 TYR QD . 11075 1 383 . 1 1 35 35 TYR HD2 H 1 6.906 0.002 . 3 . . . . 29 TYR QD . 11075 1 384 . 1 1 35 35 TYR HE1 H 1 6.625 0.009 . 3 . . . . 29 TYR QE . 11075 1 385 . 1 1 35 35 TYR HE2 H 1 6.625 0.009 . 3 . . . . 29 TYR QE . 11075 1 386 . 1 1 35 35 TYR CA C 13 63.383 0.112 . 1 . . . . 29 TYR CA . 11075 1 387 . 1 1 35 35 TYR CB C 13 38.362 0.000 . 1 . . . . 29 TYR CB . 11075 1 388 . 1 1 35 35 TYR CD1 C 13 132.339 0.044 . 3 . . . . 29 TYR CD1 . 11075 1 389 . 1 1 35 35 TYR CD2 C 13 132.339 0.044 . 3 . . . . 29 TYR CD2 . 11075 1 390 . 1 1 35 35 TYR CE1 C 13 117.967 0.025 . 3 . . . . 29 TYR CE1 . 11075 1 391 . 1 1 35 35 TYR CE2 C 13 117.967 0.025 . 3 . . . . 29 TYR CE2 . 11075 1 392 . 1 1 35 35 TYR N N 15 119.746 0.000 . 1 . . . . 29 TYR N . 11075 1 393 . 1 1 36 36 GLN H H 1 8.831 0.000 . 1 . . . . 30 GLN HN . 11075 1 394 . 1 1 36 36 GLN HA H 1 3.901 0.002 . 1 . . . . 30 GLN HA . 11075 1 395 . 1 1 36 36 GLN HB2 H 1 2.225 0.008 . 2 . . . . 30 GLN HB2 . 11075 1 396 . 1 1 36 36 GLN HB3 H 1 2.100 0.006 . 2 . . . . 30 GLN HB3 . 11075 1 397 . 1 1 36 36 GLN HE21 H 1 7.632 0.000 . 2 . . . . 30 GLN HE21 . 11075 1 398 . 1 1 36 36 GLN HE22 H 1 6.894 0.000 . 2 . . . . 30 GLN HE22 . 11075 1 399 . 1 1 36 36 GLN HG2 H 1 2.484 0.009 . 2 . . . . 30 GLN HG2 . 11075 1 400 . 1 1 36 36 GLN HG3 H 1 2.388 0.008 . 2 . . . . 30 GLN HG3 . 11075 1 401 . 1 1 36 36 GLN CA C 13 58.773 0.000 . 1 . . . . 30 GLN CA . 11075 1 402 . 1 1 36 36 GLN CB C 13 28.051 0.034 . 1 . . . . 30 GLN CB . 11075 1 403 . 1 1 36 36 GLN CG C 13 34.021 0.028 . 1 . . . . 30 GLN CG . 11075 1 404 . 1 1 36 36 GLN N N 15 117.198 0.000 . 1 . . . . 30 GLN N . 11075 1 405 . 1 1 36 36 GLN NE2 N 15 114.174 0.001 . 1 . . . . 30 GLN NE2 . 11075 1 406 . 1 1 37 37 GLY H H 1 7.899 0.000 . 1 . . . . 31 GLY HN . 11075 1 407 . 1 1 37 37 GLY HA2 H 1 3.960 0.004 . 2 . . . . 31 GLY HA2 . 11075 1 408 . 1 1 37 37 GLY HA3 H 1 3.991 0.004 . 2 . . . . 31 GLY HA3 . 11075 1 409 . 1 1 37 37 GLY CA C 13 47.096 0.000 . 1 . . . . 31 GLY CA . 11075 1 410 . 1 1 37 37 GLY N N 15 105.655 0.000 . 1 . . . . 31 GLY N . 11075 1 411 . 1 1 38 38 VAL H H 1 7.957 0.000 . 1 . . . . 32 VAL HN . 11075 1 412 . 1 1 38 38 VAL HA H 1 3.899 0.005 . 1 . . . . 32 VAL HA . 11075 1 413 . 1 1 38 38 VAL HB H 1 2.344 0.006 . 1 . . . . 32 VAL HB . 11075 1 414 . 1 1 38 38 VAL HG11 H 1 1.202 0.004 . 2 . . . . 32 VAL QG1 . 11075 1 415 . 1 1 38 38 VAL HG12 H 1 1.202 0.004 . 2 . . . . 32 VAL QG1 . 11075 1 416 . 1 1 38 38 VAL HG13 H 1 1.202 0.004 . 2 . . . . 32 VAL QG1 . 11075 1 417 . 1 1 38 38 VAL HG21 H 1 1.061 0.007 . 2 . . . . 32 VAL QG2 . 11075 1 418 . 1 1 38 38 VAL HG22 H 1 1.061 0.007 . 2 . . . . 32 VAL QG2 . 11075 1 419 . 1 1 38 38 VAL HG23 H 1 1.061 0.007 . 2 . . . . 32 VAL QG2 . 11075 1 420 . 1 1 38 38 VAL CA C 13 66.245 0.032 . 1 . . . . 32 VAL CA . 11075 1 421 . 1 1 38 38 VAL CB C 13 31.758 0.000 . 1 . . . . 32 VAL CB . 11075 1 422 . 1 1 38 38 VAL CG1 C 13 23.228 0.000 . 2 . . . . 32 VAL CG1 . 11075 1 423 . 1 1 38 38 VAL CG2 C 13 22.923 0.000 . 2 . . . . 32 VAL CG2 . 11075 1 424 . 1 1 38 38 VAL N N 15 120.984 0.000 . 1 . . . . 32 VAL N . 11075 1 425 . 1 1 39 39 LEU H H 1 8.336 0.000 . 1 . . . . 33 LEU HN . 11075 1 426 . 1 1 39 39 LEU HA H 1 4.030 0.005 . 1 . . . . 33 LEU HA . 11075 1 427 . 1 1 39 39 LEU HB2 H 1 1.949 0.011 . 2 . . . . 33 LEU HB2 . 11075 1 428 . 1 1 39 39 LEU HB3 H 1 1.526 0.006 . 2 . . . . 33 LEU HB3 . 11075 1 429 . 1 1 39 39 LEU HD11 H 1 0.580 0.002 . 2 . . . . 33 LEU QD1 . 11075 1 430 . 1 1 39 39 LEU HD12 H 1 0.580 0.002 . 2 . . . . 33 LEU QD1 . 11075 1 431 . 1 1 39 39 LEU HD13 H 1 0.580 0.002 . 2 . . . . 33 LEU QD1 . 11075 1 432 . 1 1 39 39 LEU HD21 H 1 0.089 0.002 . 2 . . . . 33 LEU QD2 . 11075 1 433 . 1 1 39 39 LEU HD22 H 1 0.089 0.002 . 2 . . . . 33 LEU QD2 . 11075 1 434 . 1 1 39 39 LEU HD23 H 1 0.089 0.002 . 2 . . . . 33 LEU QD2 . 11075 1 435 . 1 1 39 39 LEU HG H 1 1.647 0.002 . 1 . . . . 33 LEU HG . 11075 1 436 . 1 1 39 39 LEU CA C 13 58.836 0.063 . 1 . . . . 33 LEU CA . 11075 1 437 . 1 1 39 39 LEU CB C 13 41.217 0.083 . 1 . . . . 33 LEU CB . 11075 1 438 . 1 1 39 39 LEU CD1 C 13 25.152 0.106 . 2 . . . . 33 LEU CD1 . 11075 1 439 . 1 1 39 39 LEU CD2 C 13 21.761 0.030 . 2 . . . . 33 LEU CD2 . 11075 1 440 . 1 1 39 39 LEU CG C 13 26.941 0.000 . 1 . . . . 33 LEU CG . 11075 1 441 . 1 1 39 39 LEU N N 15 121.746 0.000 . 1 . . . . 33 LEU N . 11075 1 442 . 1 1 40 40 ASP H H 1 8.562 0.000 . 1 . . . . 34 ASP HN . 11075 1 443 . 1 1 40 40 ASP HA H 1 4.561 0.012 . 1 . . . . 34 ASP HA . 11075 1 444 . 1 1 40 40 ASP HB2 H 1 2.920 0.006 . 2 . . . . 34 ASP HB2 . 11075 1 445 . 1 1 40 40 ASP HB3 H 1 2.748 0.003 . 2 . . . . 34 ASP HB3 . 11075 1 446 . 1 1 40 40 ASP CA C 13 57.546 0.059 . 1 . . . . 34 ASP CA . 11075 1 447 . 1 1 40 40 ASP CB C 13 40.914 0.001 . 1 . . . . 34 ASP CB . 11075 1 448 . 1 1 40 40 ASP N N 15 119.508 0.000 . 1 . . . . 34 ASP N . 11075 1 449 . 1 1 41 41 GLN H H 1 8.257 0.000 . 1 . . . . 35 GLN HN . 11075 1 450 . 1 1 41 41 GLN HA H 1 4.066 0.005 . 1 . . . . 35 GLN HA . 11075 1 451 . 1 1 41 41 GLN HB2 H 1 2.228 0.005 . 2 . . . . 35 GLN HB2 . 11075 1 452 . 1 1 41 41 GLN HB3 H 1 2.146 0.007 . 2 . . . . 35 GLN HB3 . 11075 1 453 . 1 1 41 41 GLN HE21 H 1 7.330 0.000 . 2 . . . . 35 GLN HE21 . 11075 1 454 . 1 1 41 41 GLN HE22 H 1 6.728 0.000 . 2 . . . . 35 GLN HE22 . 11075 1 455 . 1 1 41 41 GLN HG2 H 1 2.522 0.008 . 2 . . . . 35 GLN QG . 11075 1 456 . 1 1 41 41 GLN HG3 H 1 2.522 0.008 . 2 . . . . 35 GLN QG . 11075 1 457 . 1 1 41 41 GLN CA C 13 59.169 0.000 . 1 . . . . 35 GLN CA . 11075 1 458 . 1 1 41 41 GLN CB C 13 28.619 0.000 . 1 . . . . 35 GLN CB . 11075 1 459 . 1 1 41 41 GLN CG C 13 34.097 0.000 . 1 . . . . 35 GLN CG . 11075 1 460 . 1 1 41 41 GLN N N 15 119.238 0.000 . 1 . . . . 35 GLN N . 11075 1 461 . 1 1 41 41 GLN NE2 N 15 111.215 0.001 . 1 . . . . 35 GLN NE2 . 11075 1 462 . 1 1 42 42 MET H H 1 9.109 0.000 . 1 . . . . 36 MET HN . 11075 1 463 . 1 1 42 42 MET HA H 1 4.119 0.003 . 1 . . . . 36 MET HA . 11075 1 464 . 1 1 42 42 MET HB2 H 1 2.276 0.012 . 2 . . . . 36 MET HB2 . 11075 1 465 . 1 1 42 42 MET HB3 H 1 2.541 0.005 . 2 . . . . 36 MET HB3 . 11075 1 466 . 1 1 42 42 MET HE1 H 1 2.071 0.002 . 1 . . . . 36 MET QE . 11075 1 467 . 1 1 42 42 MET HE2 H 1 2.071 0.002 . 1 . . . . 36 MET QE . 11075 1 468 . 1 1 42 42 MET HE3 H 1 2.071 0.002 . 1 . . . . 36 MET QE . 11075 1 469 . 1 1 42 42 MET HG2 H 1 2.929 0.008 . 2 . . . . 36 MET HG2 . 11075 1 470 . 1 1 42 42 MET HG3 H 1 2.444 0.009 . 2 . . . . 36 MET HG3 . 11075 1 471 . 1 1 42 42 MET CA C 13 60.049 0.000 . 1 . . . . 36 MET CA . 11075 1 472 . 1 1 42 42 MET CB C 13 34.222 0.047 . 1 . . . . 36 MET CB . 11075 1 473 . 1 1 42 42 MET CE C 13 17.434 0.000 . 1 . . . . 36 MET CE . 11075 1 474 . 1 1 42 42 MET CG C 13 33.677 0.090 . 1 . . . . 36 MET CG . 11075 1 475 . 1 1 42 42 MET N N 15 118.741 0.000 . 1 . . . . 36 MET N . 11075 1 476 . 1 1 43 43 ASN H H 1 8.345 0.000 . 1 . . . . 37 ASN HN . 11075 1 477 . 1 1 43 43 ASN HA H 1 4.326 0.005 . 1 . . . . 37 ASN HA . 11075 1 478 . 1 1 43 43 ASN HB2 H 1 3.036 0.004 . 2 . . . . 37 ASN HB2 . 11075 1 479 . 1 1 43 43 ASN HB3 H 1 2.841 0.002 . 2 . . . . 37 ASN HB3 . 11075 1 480 . 1 1 43 43 ASN HD21 H 1 7.640 0.000 . 2 . . . . 37 ASN HD21 . 11075 1 481 . 1 1 43 43 ASN HD22 H 1 6.629 0.000 . 2 . . . . 37 ASN HD22 . 11075 1 482 . 1 1 43 43 ASN CA C 13 56.427 0.086 . 1 . . . . 37 ASN CA . 11075 1 483 . 1 1 43 43 ASN CB C 13 38.511 0.072 . 1 . . . . 37 ASN CB . 11075 1 484 . 1 1 43 43 ASN N N 15 117.804 0.000 . 1 . . . . 37 ASN N . 11075 1 485 . 1 1 43 43 ASN ND2 N 15 111.399 0.004 . 1 . . . . 37 ASN ND2 . 11075 1 486 . 1 1 44 44 LYS H H 1 7.622 0.000 . 1 . . . . 38 LYS HN . 11075 1 487 . 1 1 44 44 LYS HA H 1 3.974 0.007 . 1 . . . . 38 LYS HA . 11075 1 488 . 1 1 44 44 LYS HB2 H 1 1.812 0.008 . 2 . . . . 38 LYS HB2 . 11075 1 489 . 1 1 44 44 LYS HB3 H 1 1.865 0.009 . 2 . . . . 38 LYS HB3 . 11075 1 490 . 1 1 44 44 LYS HD2 H 1 1.590 0.005 . 2 . . . . 38 LYS QD . 11075 1 491 . 1 1 44 44 LYS HD3 H 1 1.590 0.005 . 2 . . . . 38 LYS QD . 11075 1 492 . 1 1 44 44 LYS HE2 H 1 2.903 0.003 . 2 . . . . 38 LYS QE . 11075 1 493 . 1 1 44 44 LYS HE3 H 1 2.903 0.003 . 2 . . . . 38 LYS QE . 11075 1 494 . 1 1 44 44 LYS HG2 H 1 1.511 0.012 . 2 . . . . 38 LYS HG2 . 11075 1 495 . 1 1 44 44 LYS HG3 H 1 1.285 0.009 . 2 . . . . 38 LYS HG3 . 11075 1 496 . 1 1 44 44 LYS CA C 13 59.299 0.000 . 1 . . . . 38 LYS CA . 11075 1 497 . 1 1 44 44 LYS CB C 13 32.220 0.000 . 1 . . . . 38 LYS CB . 11075 1 498 . 1 1 44 44 LYS CD C 13 29.275 0.000 . 1 . . . . 38 LYS CD . 11075 1 499 . 1 1 44 44 LYS CE C 13 42.014 0.054 . 1 . . . . 38 LYS CE . 11075 1 500 . 1 1 44 44 LYS CG C 13 25.287 0.039 . 1 . . . . 38 LYS CG . 11075 1 501 . 1 1 44 44 LYS N N 15 118.047 0.000 . 1 . . . . 38 LYS N . 11075 1 502 . 1 1 45 45 TYR H H 1 7.918 0.000 . 1 . . . . 39 TYR HN . 11075 1 503 . 1 1 45 45 TYR HA H 1 4.174 0.007 . 1 . . . . 39 TYR HA . 11075 1 504 . 1 1 45 45 TYR HB2 H 1 2.927 0.013 . 2 . . . . 39 TYR HB2 . 11075 1 505 . 1 1 45 45 TYR HB3 H 1 2.885 0.013 . 2 . . . . 39 TYR HB3 . 11075 1 506 . 1 1 45 45 TYR HD1 H 1 6.682 0.004 . 3 . . . . 39 TYR QD . 11075 1 507 . 1 1 45 45 TYR HD2 H 1 6.682 0.004 . 3 . . . . 39 TYR QD . 11075 1 508 . 1 1 45 45 TYR HE1 H 1 6.399 0.002 . 3 . . . . 39 TYR QE . 11075 1 509 . 1 1 45 45 TYR HE2 H 1 6.399 0.002 . 3 . . . . 39 TYR QE . 11075 1 510 . 1 1 45 45 TYR CA C 13 61.098 0.000 . 1 . . . . 39 TYR CA . 11075 1 511 . 1 1 45 45 TYR CB C 13 38.818 0.000 . 1 . . . . 39 TYR CB . 11075 1 512 . 1 1 45 45 TYR CD1 C 13 132.389 0.013 . 3 . . . . 39 TYR CD1 . 11075 1 513 . 1 1 45 45 TYR CD2 C 13 132.389 0.013 . 3 . . . . 39 TYR CD2 . 11075 1 514 . 1 1 45 45 TYR CE1 C 13 118.103 0.043 . 3 . . . . 39 TYR CE1 . 11075 1 515 . 1 1 45 45 TYR CE2 C 13 118.103 0.043 . 3 . . . . 39 TYR CE2 . 11075 1 516 . 1 1 45 45 TYR N N 15 119.388 0.000 . 1 . . . . 39 TYR N . 11075 1 517 . 1 1 46 46 LEU H H 1 8.425 0.000 . 1 . . . . 40 LEU HN . 11075 1 518 . 1 1 46 46 LEU HA H 1 3.688 0.005 . 1 . . . . 40 LEU HA . 11075 1 519 . 1 1 46 46 LEU HB2 H 1 1.753 0.011 . 2 . . . . 40 LEU HB2 . 11075 1 520 . 1 1 46 46 LEU HB3 H 1 1.311 0.008 . 2 . . . . 40 LEU HB3 . 11075 1 521 . 1 1 46 46 LEU HD11 H 1 0.793 0.003 . 2 . . . . 40 LEU QD1 . 11075 1 522 . 1 1 46 46 LEU HD12 H 1 0.793 0.003 . 2 . . . . 40 LEU QD1 . 11075 1 523 . 1 1 46 46 LEU HD13 H 1 0.793 0.003 . 2 . . . . 40 LEU QD1 . 11075 1 524 . 1 1 46 46 LEU HD21 H 1 0.650 0.009 . 2 . . . . 40 LEU QD2 . 11075 1 525 . 1 1 46 46 LEU HD22 H 1 0.650 0.009 . 2 . . . . 40 LEU QD2 . 11075 1 526 . 1 1 46 46 LEU HD23 H 1 0.650 0.009 . 2 . . . . 40 LEU QD2 . 11075 1 527 . 1 1 46 46 LEU HG H 1 1.722 0.013 . 1 . . . . 40 LEU HG . 11075 1 528 . 1 1 46 46 LEU CA C 13 58.105 0.122 . 1 . . . . 40 LEU CA . 11075 1 529 . 1 1 46 46 LEU CB C 13 41.364 0.253 . 1 . . . . 40 LEU CB . 11075 1 530 . 1 1 46 46 LEU CD1 C 13 24.546 0.060 . 2 . . . . 40 LEU CD1 . 11075 1 531 . 1 1 46 46 LEU CD2 C 13 24.602 0.032 . 2 . . . . 40 LEU CD2 . 11075 1 532 . 1 1 46 46 LEU CG C 13 27.271 0.063 . 1 . . . . 40 LEU CG . 11075 1 533 . 1 1 46 46 LEU N N 15 119.744 0.000 . 1 . . . . 40 LEU N . 11075 1 534 . 1 1 47 47 TYR H H 1 7.519 0.000 . 1 . . . . 41 TYR HN . 11075 1 535 . 1 1 47 47 TYR HA H 1 4.180 0.003 . 1 . . . . 41 TYR HA . 11075 1 536 . 1 1 47 47 TYR HB2 H 1 3.032 0.007 . 2 . . . . 41 TYR HB2 . 11075 1 537 . 1 1 47 47 TYR HB3 H 1 2.971 0.008 . 2 . . . . 41 TYR HB3 . 11075 1 538 . 1 1 47 47 TYR HD1 H 1 7.089 0.001 . 3 . . . . 41 TYR QD . 11075 1 539 . 1 1 47 47 TYR HD2 H 1 7.089 0.001 . 3 . . . . 41 TYR QD . 11075 1 540 . 1 1 47 47 TYR HE1 H 1 6.710 0.001 . 3 . . . . 41 TYR QE . 11075 1 541 . 1 1 47 47 TYR HE2 H 1 6.710 0.001 . 3 . . . . 41 TYR QE . 11075 1 542 . 1 1 47 47 TYR CA C 13 59.975 0.023 . 1 . . . . 41 TYR CA . 11075 1 543 . 1 1 47 47 TYR CB C 13 37.870 0.000 . 1 . . . . 41 TYR CB . 11075 1 544 . 1 1 47 47 TYR CD1 C 13 133.029 0.000 . 3 . . . . 41 TYR CD1 . 11075 1 545 . 1 1 47 47 TYR CD2 C 13 133.029 0.000 . 3 . . . . 41 TYR CD2 . 11075 1 546 . 1 1 47 47 TYR CE1 C 13 118.066 0.045 . 3 . . . . 41 TYR CE1 . 11075 1 547 . 1 1 47 47 TYR CE2 C 13 118.066 0.045 . 3 . . . . 41 TYR CE2 . 11075 1 548 . 1 1 47 47 TYR N N 15 115.884 0.000 . 1 . . . . 41 TYR N . 11075 1 549 . 1 1 48 48 SER H H 1 7.542 0.000 . 1 . . . . 42 SER HN . 11075 1 550 . 1 1 48 48 SER HA H 1 4.314 0.003 . 1 . . . . 42 SER HA . 11075 1 551 . 1 1 48 48 SER HB2 H 1 3.851 0.019 . 2 . . . . 42 SER HB2 . 11075 1 552 . 1 1 48 48 SER HB3 H 1 3.779 0.006 . 2 . . . . 42 SER HB3 . 11075 1 553 . 1 1 48 48 SER CA C 13 58.773 0.000 . 1 . . . . 42 SER CA . 11075 1 554 . 1 1 48 48 SER CB C 13 64.571 0.000 . 1 . . . . 42 SER CB . 11075 1 555 . 1 1 48 48 SER N N 15 112.536 0.000 . 1 . . . . 42 SER N . 11075 1 556 . 1 1 49 49 VAL H H 1 7.311 0.000 . 1 . . . . 43 VAL HN . 11075 1 557 . 1 1 49 49 VAL HA H 1 3.780 0.009 . 1 . . . . 43 VAL HA . 11075 1 558 . 1 1 49 49 VAL HB H 1 1.812 0.005 . 1 . . . . 43 VAL HB . 11075 1 559 . 1 1 49 49 VAL HG11 H 1 0.829 0.000 . 2 . . . . 43 VAL QG1 . 11075 1 560 . 1 1 49 49 VAL HG12 H 1 0.829 0.000 . 2 . . . . 43 VAL QG1 . 11075 1 561 . 1 1 49 49 VAL HG13 H 1 0.829 0.000 . 2 . . . . 43 VAL QG1 . 11075 1 562 . 1 1 49 49 VAL HG21 H 1 0.611 0.000 . 2 . . . . 43 VAL QG2 . 11075 1 563 . 1 1 49 49 VAL HG22 H 1 0.611 0.000 . 2 . . . . 43 VAL QG2 . 11075 1 564 . 1 1 49 49 VAL HG23 H 1 0.611 0.000 . 2 . . . . 43 VAL QG2 . 11075 1 565 . 1 1 49 49 VAL CA C 13 62.844 0.038 . 1 . . . . 43 VAL CA . 11075 1 566 . 1 1 49 49 VAL CB C 13 31.512 0.063 . 1 . . . . 43 VAL CB . 11075 1 567 . 1 1 49 49 VAL CG1 C 13 21.696 0.000 . 2 . . . . 43 VAL CG1 . 11075 1 568 . 1 1 49 49 VAL CG2 C 13 21.673 0.000 . 2 . . . . 43 VAL CG2 . 11075 1 569 . 1 1 49 49 VAL N N 15 123.061 0.000 . 1 . . . . 43 VAL N . 11075 1 570 . 1 1 50 50 LYS H H 1 8.421 0.000 . 1 . . . . 44 LYS HN . 11075 1 571 . 1 1 50 50 LYS HA H 1 4.216 0.004 . 1 . . . . 44 LYS HA . 11075 1 572 . 1 1 50 50 LYS HB2 H 1 1.840 0.010 . 2 . . . . 44 LYS HB2 . 11075 1 573 . 1 1 50 50 LYS HB3 H 1 1.714 0.008 . 2 . . . . 44 LYS HB3 . 11075 1 574 . 1 1 50 50 LYS HD2 H 1 1.585 0.008 . 2 . . . . 44 LYS QD . 11075 1 575 . 1 1 50 50 LYS HD3 H 1 1.585 0.008 . 2 . . . . 44 LYS QD . 11075 1 576 . 1 1 50 50 LYS HE2 H 1 2.933 0.006 . 2 . . . . 44 LYS QE . 11075 1 577 . 1 1 50 50 LYS HE3 H 1 2.933 0.006 . 2 . . . . 44 LYS QE . 11075 1 578 . 1 1 50 50 LYS HG2 H 1 1.440 0.007 . 2 . . . . 44 LYS HG2 . 11075 1 579 . 1 1 50 50 LYS HG3 H 1 1.358 0.026 . 2 . . . . 44 LYS HG3 . 11075 1 580 . 1 1 50 50 LYS CA C 13 56.526 0.077 . 1 . . . . 44 LYS CA . 11075 1 581 . 1 1 50 50 LYS CB C 13 32.430 0.000 . 1 . . . . 44 LYS CB . 11075 1 582 . 1 1 50 50 LYS CD C 13 28.567 0.091 . 1 . . . . 44 LYS CD . 11075 1 583 . 1 1 50 50 LYS CE C 13 42.237 0.000 . 1 . . . . 44 LYS CE . 11075 1 584 . 1 1 50 50 LYS CG C 13 24.735 0.074 . 1 . . . . 44 LYS CG . 11075 1 585 . 1 1 50 50 LYS N N 15 126.226 0.000 . 1 . . . . 44 LYS N . 11075 1 586 . 1 1 51 51 ASP H H 1 7.475 0.000 . 1 . . . . 45 ASP HN . 11075 1 587 . 1 1 51 51 ASP HA H 1 4.628 0.006 . 1 . . . . 45 ASP HA . 11075 1 588 . 1 1 51 51 ASP HB2 H 1 2.683 0.007 . 2 . . . . 45 ASP HB2 . 11075 1 589 . 1 1 51 51 ASP HB3 H 1 2.639 0.005 . 2 . . . . 45 ASP HB3 . 11075 1 590 . 1 1 51 51 ASP CA C 13 54.274 0.068 . 1 . . . . 45 ASP CA . 11075 1 591 . 1 1 51 51 ASP CB C 13 42.785 0.000 . 1 . . . . 45 ASP CB . 11075 1 592 . 1 1 51 51 ASP N N 15 120.451 0.000 . 1 . . . . 45 ASP N . 11075 1 593 . 1 1 52 52 THR H H 1 8.647 0.000 . 1 . . . . 46 THR HN . 11075 1 594 . 1 1 52 52 THR HA H 1 3.799 0.004 . 1 . . . . 46 THR HA . 11075 1 595 . 1 1 52 52 THR HB H 1 4.073 0.000 . 1 . . . . 46 THR HB . 11075 1 596 . 1 1 52 52 THR HG21 H 1 1.153 0.004 . 1 . . . . 46 THR QG2 . 11075 1 597 . 1 1 52 52 THR HG22 H 1 1.153 0.004 . 1 . . . . 46 THR QG2 . 11075 1 598 . 1 1 52 52 THR HG23 H 1 1.153 0.004 . 1 . . . . 46 THR QG2 . 11075 1 599 . 1 1 52 52 THR CA C 13 65.850 0.000 . 1 . . . . 46 THR CA . 11075 1 600 . 1 1 52 52 THR CB C 13 68.893 0.000 . 1 . . . . 46 THR CB . 11075 1 601 . 1 1 52 52 THR CG2 C 13 21.811 0.000 . 1 . . . . 46 THR CG2 . 11075 1 602 . 1 1 52 52 THR N N 15 121.530 0.000 . 1 . . . . 46 THR N . 11075 1 603 . 1 1 53 53 HIS H H 1 8.225 0.000 . 1 . . . . 47 HIS HN . 11075 1 604 . 1 1 53 53 HIS HA H 1 4.427 0.004 . 1 . . . . 47 HIS HA . 11075 1 605 . 1 1 53 53 HIS HB2 H 1 3.270 0.004 . 2 . . . . 47 HIS HB2 . 11075 1 606 . 1 1 53 53 HIS HB3 H 1 3.231 0.010 . 2 . . . . 47 HIS HB3 . 11075 1 607 . 1 1 53 53 HIS HD2 H 1 7.127 0.000 . 1 . . . . 47 HIS HD2 . 11075 1 608 . 1 1 53 53 HIS HE1 H 1 7.987 0.002 . 1 . . . . 47 HIS HE1 . 11075 1 609 . 1 1 53 53 HIS CA C 13 59.355 0.049 . 1 . . . . 47 HIS CA . 11075 1 610 . 1 1 53 53 HIS CB C 13 28.817 0.000 . 1 . . . . 47 HIS CB . 11075 1 611 . 1 1 53 53 HIS CD2 C 13 120.223 0.008 . 1 . . . . 47 HIS CD2 . 11075 1 612 . 1 1 53 53 HIS CE1 C 13 138.001 0.000 . 1 . . . . 47 HIS CE1 . 11075 1 613 . 1 1 53 53 HIS N N 15 121.833 0.000 . 1 . . . . 47 HIS N . 11075 1 614 . 1 1 54 54 LEU H H 1 8.144 0.000 . 1 . . . . 48 LEU HN . 11075 1 615 . 1 1 54 54 LEU HA H 1 4.155 0.008 . 1 . . . . 48 LEU HA . 11075 1 616 . 1 1 54 54 LEU HB2 H 1 1.733 0.013 . 2 . . . . 48 LEU HB2 . 11075 1 617 . 1 1 54 54 LEU HB3 H 1 1.694 0.014 . 2 . . . . 48 LEU HB3 . 11075 1 618 . 1 1 54 54 LEU HD11 H 1 1.064 0.008 . 2 . . . . 48 LEU QD1 . 11075 1 619 . 1 1 54 54 LEU HD12 H 1 1.064 0.008 . 2 . . . . 48 LEU QD1 . 11075 1 620 . 1 1 54 54 LEU HD13 H 1 1.064 0.008 . 2 . . . . 48 LEU QD1 . 11075 1 621 . 1 1 54 54 LEU HD21 H 1 0.979 0.005 . 2 . . . . 48 LEU QD2 . 11075 1 622 . 1 1 54 54 LEU HD22 H 1 0.979 0.005 . 2 . . . . 48 LEU QD2 . 11075 1 623 . 1 1 54 54 LEU HD23 H 1 0.979 0.005 . 2 . . . . 48 LEU QD2 . 11075 1 624 . 1 1 54 54 LEU HG H 1 1.665 0.007 . 1 . . . . 48 LEU HG . 11075 1 625 . 1 1 54 54 LEU CA C 13 57.102 0.070 . 1 . . . . 48 LEU CA . 11075 1 626 . 1 1 54 54 LEU CB C 13 41.477 0.000 . 1 . . . . 48 LEU CB . 11075 1 627 . 1 1 54 54 LEU CD1 C 13 24.388 0.049 . 2 . . . . 48 LEU CD1 . 11075 1 628 . 1 1 54 54 LEU CD2 C 13 23.857 0.070 . 2 . . . . 48 LEU CD2 . 11075 1 629 . 1 1 54 54 LEU CG C 13 27.026 0.157 . 1 . . . . 48 LEU CG . 11075 1 630 . 1 1 54 54 LEU N N 15 122.003 0.000 . 1 . . . . 48 LEU N . 11075 1 631 . 1 1 55 55 ARG H H 1 8.415 0.000 . 1 . . . . 49 ARG HN . 11075 1 632 . 1 1 55 55 ARG HA H 1 3.810 0.008 . 1 . . . . 49 ARG HA . 11075 1 633 . 1 1 55 55 ARG HB2 H 1 1.838 0.009 . 2 . . . . 49 ARG HB2 . 11075 1 634 . 1 1 55 55 ARG HB3 H 1 1.800 0.009 . 2 . . . . 49 ARG HB3 . 11075 1 635 . 1 1 55 55 ARG HD2 H 1 3.148 0.007 . 2 . . . . 49 ARG HD2 . 11075 1 636 . 1 1 55 55 ARG HD3 H 1 3.103 0.010 . 2 . . . . 49 ARG HD3 . 11075 1 637 . 1 1 55 55 ARG HG2 H 1 1.577 0.007 . 2 . . . . 49 ARG HG2 . 11075 1 638 . 1 1 55 55 ARG HG3 H 1 1.529 0.024 . 2 . . . . 49 ARG HG3 . 11075 1 639 . 1 1 55 55 ARG CA C 13 60.177 0.047 . 1 . . . . 49 ARG CA . 11075 1 640 . 1 1 55 55 ARG CB C 13 29.840 0.000 . 1 . . . . 49 ARG CB . 11075 1 641 . 1 1 55 55 ARG CD C 13 43.307 0.000 . 1 . . . . 49 ARG CD . 11075 1 642 . 1 1 55 55 ARG CG C 13 27.658 0.000 . 1 . . . . 49 ARG CG . 11075 1 643 . 1 1 55 55 ARG N N 15 119.236 0.000 . 1 . . . . 49 ARG N . 11075 1 644 . 1 1 56 56 GLN H H 1 7.885 0.000 . 1 . . . . 50 GLN HN . 11075 1 645 . 1 1 56 56 GLN HA H 1 3.905 0.009 . 1 . . . . 50 GLN HA . 11075 1 646 . 1 1 56 56 GLN HB2 H 1 2.110 0.009 . 2 . . . . 50 GLN HB2 . 11075 1 647 . 1 1 56 56 GLN HB3 H 1 1.971 0.007 . 2 . . . . 50 GLN HB3 . 11075 1 648 . 1 1 56 56 GLN HG2 H 1 2.397 0.004 . 2 . . . . 50 GLN QG . 11075 1 649 . 1 1 56 56 GLN HG3 H 1 2.397 0.004 . 2 . . . . 50 GLN QG . 11075 1 650 . 1 1 56 56 GLN CA C 13 59.196 0.000 . 1 . . . . 50 GLN CA . 11075 1 651 . 1 1 56 56 GLN CB C 13 27.741 0.070 . 1 . . . . 50 GLN CB . 11075 1 652 . 1 1 56 56 GLN CG C 13 33.603 0.126 . 1 . . . . 50 GLN CG . 11075 1 653 . 1 1 56 56 GLN N N 15 116.846 0.000 . 1 . . . . 50 GLN N . 11075 1 654 . 1 1 57 57 LYS H H 1 7.687 0.000 . 1 . . . . 51 LYS HN . 11075 1 655 . 1 1 57 57 LYS HA H 1 4.031 0.006 . 1 . . . . 51 LYS HA . 11075 1 656 . 1 1 57 57 LYS HB2 H 1 1.865 0.006 . 2 . . . . 51 LYS HB2 . 11075 1 657 . 1 1 57 57 LYS HB3 H 1 1.811 0.007 . 2 . . . . 51 LYS HB3 . 11075 1 658 . 1 1 57 57 LYS HD2 H 1 1.617 0.006 . 2 . . . . 51 LYS HD2 . 11075 1 659 . 1 1 57 57 LYS HD3 H 1 1.580 0.005 . 2 . . . . 51 LYS HD3 . 11075 1 660 . 1 1 57 57 LYS HE2 H 1 2.908 0.007 . 2 . . . . 51 LYS HE2 . 11075 1 661 . 1 1 57 57 LYS HE3 H 1 2.867 0.015 . 2 . . . . 51 LYS HE3 . 11075 1 662 . 1 1 57 57 LYS HG2 H 1 1.499 0.009 . 2 . . . . 51 LYS HG2 . 11075 1 663 . 1 1 57 57 LYS HG3 H 1 1.278 0.006 . 2 . . . . 51 LYS HG3 . 11075 1 664 . 1 1 57 57 LYS CA C 13 59.249 0.000 . 1 . . . . 51 LYS CA . 11075 1 665 . 1 1 57 57 LYS CB C 13 32.140 0.000 . 1 . . . . 51 LYS CB . 11075 1 666 . 1 1 57 57 LYS CD C 13 28.931 0.000 . 1 . . . . 51 LYS CD . 11075 1 667 . 1 1 57 57 LYS CE C 13 41.627 0.000 . 1 . . . . 51 LYS CE . 11075 1 668 . 1 1 57 57 LYS CG C 13 24.410 0.000 . 1 . . . . 51 LYS CG . 11075 1 669 . 1 1 57 57 LYS N N 15 118.016 0.000 . 1 . . . . 51 LYS N . 11075 1 670 . 1 1 58 58 TRP H H 1 8.313 0.000 . 1 . . . . 52 TRP HN . 11075 1 671 . 1 1 58 58 TRP HA H 1 4.361 0.006 . 1 . . . . 52 TRP HA . 11075 1 672 . 1 1 58 58 TRP HB2 H 1 3.317 0.010 . 2 . . . . 52 TRP HB2 . 11075 1 673 . 1 1 58 58 TRP HB3 H 1 3.243 0.014 . 2 . . . . 52 TRP HB3 . 11075 1 674 . 1 1 58 58 TRP HD1 H 1 7.364 0.003 . 1 . . . . 52 TRP HD1 . 11075 1 675 . 1 1 58 58 TRP HE1 H 1 10.200 0.005 . 1 . . . . 52 TRP HE1 . 11075 1 676 . 1 1 58 58 TRP HE3 H 1 7.495 0.006 . 1 . . . . 52 TRP HE3 . 11075 1 677 . 1 1 58 58 TRP HH2 H 1 6.905 0.006 . 1 . . . . 52 TRP HH2 . 11075 1 678 . 1 1 58 58 TRP HZ2 H 1 7.334 0.004 . 1 . . . . 52 TRP HZ2 . 11075 1 679 . 1 1 58 58 TRP HZ3 H 1 6.929 0.006 . 1 . . . . 52 TRP HZ3 . 11075 1 680 . 1 1 58 58 TRP CA C 13 60.979 0.100 . 1 . . . . 52 TRP CA . 11075 1 681 . 1 1 58 58 TRP CB C 13 29.253 0.000 . 1 . . . . 52 TRP CB . 11075 1 682 . 1 1 58 58 TRP CD1 C 13 126.678 0.060 . 1 . . . . 52 TRP CD1 . 11075 1 683 . 1 1 58 58 TRP CE3 C 13 119.689 0.040 . 1 . . . . 52 TRP CE3 . 11075 1 684 . 1 1 58 58 TRP CH2 C 13 124.208 0.028 . 1 . . . . 52 TRP CH2 . 11075 1 685 . 1 1 58 58 TRP CZ2 C 13 114.770 0.036 . 1 . . . . 52 TRP CZ2 . 11075 1 686 . 1 1 58 58 TRP CZ3 C 13 121.472 0.041 . 1 . . . . 52 TRP CZ3 . 11075 1 687 . 1 1 58 58 TRP N N 15 119.142 0.000 . 1 . . . . 52 TRP N . 11075 1 688 . 1 1 58 58 TRP NE1 N 15 127.891 0.000 . 1 . . . . 52 TRP NE1 . 11075 1 689 . 1 1 59 59 GLN H H 1 8.885 0.000 . 1 . . . . 53 GLN HN . 11075 1 690 . 1 1 59 59 GLN HA H 1 4.094 0.005 . 1 . . . . 53 GLN HA . 11075 1 691 . 1 1 59 59 GLN HB2 H 1 2.217 0.005 . 2 . . . . 53 GLN HB2 . 11075 1 692 . 1 1 59 59 GLN HB3 H 1 2.137 0.009 . 2 . . . . 53 GLN HB3 . 11075 1 693 . 1 1 59 59 GLN HG2 H 1 2.550 0.011 . 2 . . . . 53 GLN HG2 . 11075 1 694 . 1 1 59 59 GLN HG3 H 1 2.466 0.013 . 2 . . . . 53 GLN HG3 . 11075 1 695 . 1 1 59 59 GLN CA C 13 59.088 0.000 . 1 . . . . 53 GLN CA . 11075 1 696 . 1 1 59 59 GLN CB C 13 27.440 0.000 . 1 . . . . 53 GLN CB . 11075 1 697 . 1 1 59 59 GLN CG C 13 31.732 0.000 . 1 . . . . 53 GLN CG . 11075 1 698 . 1 1 59 59 GLN N N 15 120.681 0.000 . 1 . . . . 53 GLN N . 11075 1 699 . 1 1 60 60 GLN H H 1 7.734 0.000 . 1 . . . . 54 GLN HN . 11075 1 700 . 1 1 60 60 GLN HA H 1 4.080 0.009 . 1 . . . . 54 GLN HA . 11075 1 701 . 1 1 60 60 GLN HB2 H 1 2.226 0.008 . 2 . . . . 54 GLN HB2 . 11075 1 702 . 1 1 60 60 GLN HB3 H 1 2.136 0.015 . 2 . . . . 54 GLN HB3 . 11075 1 703 . 1 1 60 60 GLN HG2 H 1 2.521 0.007 . 2 . . . . 54 GLN HG2 . 11075 1 704 . 1 1 60 60 GLN HG3 H 1 2.413 0.042 . 2 . . . . 54 GLN HG3 . 11075 1 705 . 1 1 60 60 GLN CA C 13 58.740 0.000 . 1 . . . . 54 GLN CA . 11075 1 706 . 1 1 60 60 GLN CB C 13 28.579 0.000 . 1 . . . . 54 GLN CB . 11075 1 707 . 1 1 60 60 GLN CG C 13 33.676 0.080 . 1 . . . . 54 GLN CG . 11075 1 708 . 1 1 60 60 GLN N N 15 120.135 0.000 . 1 . . . . 54 GLN N . 11075 1 709 . 1 1 61 61 VAL H H 1 7.556 0.000 . 1 . . . . 55 VAL HN . 11075 1 710 . 1 1 61 61 VAL HA H 1 3.770 0.004 . 1 . . . . 55 VAL HA . 11075 1 711 . 1 1 61 61 VAL HB H 1 2.279 0.006 . 1 . . . . 55 VAL HB . 11075 1 712 . 1 1 61 61 VAL HG11 H 1 0.985 0.007 . 2 . . . . 55 VAL QG1 . 11075 1 713 . 1 1 61 61 VAL HG12 H 1 0.985 0.007 . 2 . . . . 55 VAL QG1 . 11075 1 714 . 1 1 61 61 VAL HG13 H 1 0.985 0.007 . 2 . . . . 55 VAL QG1 . 11075 1 715 . 1 1 61 61 VAL HG21 H 1 0.862 0.006 . 2 . . . . 55 VAL QG2 . 11075 1 716 . 1 1 61 61 VAL HG22 H 1 0.862 0.006 . 2 . . . . 55 VAL QG2 . 11075 1 717 . 1 1 61 61 VAL HG23 H 1 0.862 0.006 . 2 . . . . 55 VAL QG2 . 11075 1 718 . 1 1 61 61 VAL CA C 13 66.335 0.000 . 1 . . . . 55 VAL CA . 11075 1 719 . 1 1 61 61 VAL CB C 13 31.694 0.000 . 1 . . . . 55 VAL CB . 11075 1 720 . 1 1 61 61 VAL CG1 C 13 21.734 0.102 . 2 . . . . 55 VAL CG1 . 11075 1 721 . 1 1 61 61 VAL CG2 C 13 22.148 0.073 . 2 . . . . 55 VAL CG2 . 11075 1 722 . 1 1 61 61 VAL N N 15 120.466 0.000 . 1 . . . . 55 VAL N . 11075 1 723 . 1 1 62 62 TRP H H 1 8.730 0.000 . 1 . . . . 56 TRP HN . 11075 1 724 . 1 1 62 62 TRP HA H 1 3.912 0.010 . 1 . . . . 56 TRP HA . 11075 1 725 . 1 1 62 62 TRP HB2 H 1 3.710 0.000 . 2 . . . . 56 TRP HB2 . 11075 1 726 . 1 1 62 62 TRP HB3 H 1 3.315 0.000 . 2 . . . . 56 TRP HB3 . 11075 1 727 . 1 1 62 62 TRP HD1 H 1 7.209 0.002 . 1 . . . . 56 TRP HD1 . 11075 1 728 . 1 1 62 62 TRP HE1 H 1 10.081 0.002 . 1 . . . . 56 TRP HE1 . 11075 1 729 . 1 1 62 62 TRP HE3 H 1 7.417 0.003 . 1 . . . . 56 TRP HE3 . 11075 1 730 . 1 1 62 62 TRP HH2 H 1 7.139 0.007 . 1 . . . . 56 TRP HH2 . 11075 1 731 . 1 1 62 62 TRP HZ2 H 1 7.420 0.001 . 1 . . . . 56 TRP HZ2 . 11075 1 732 . 1 1 62 62 TRP HZ3 H 1 7.149 0.005 . 1 . . . . 56 TRP HZ3 . 11075 1 733 . 1 1 62 62 TRP CA C 13 62.675 0.244 . 1 . . . . 56 TRP CA . 11075 1 734 . 1 1 62 62 TRP CB C 13 29.223 0.000 . 1 . . . . 56 TRP CB . 11075 1 735 . 1 1 62 62 TRP CD1 C 13 126.469 0.016 . 1 . . . . 56 TRP CD1 . 11075 1 736 . 1 1 62 62 TRP CE3 C 13 120.731 0.073 . 1 . . . . 56 TRP CE3 . 11075 1 737 . 1 1 62 62 TRP CH2 C 13 124.661 0.012 . 1 . . . . 56 TRP CH2 . 11075 1 738 . 1 1 62 62 TRP CZ2 C 13 114.774 0.041 . 1 . . . . 56 TRP CZ2 . 11075 1 739 . 1 1 62 62 TRP CZ3 C 13 121.737 0.088 . 1 . . . . 56 TRP CZ3 . 11075 1 740 . 1 1 62 62 TRP N N 15 120.941 0.000 . 1 . . . . 56 TRP N . 11075 1 741 . 1 1 62 62 TRP NE1 N 15 129.257 0.000 . 1 . . . . 56 TRP NE1 . 11075 1 742 . 1 1 63 63 GLN H H 1 8.403 0.000 . 1 . . . . 57 GLN HN . 11075 1 743 . 1 1 63 63 GLN HA H 1 3.954 0.003 . 1 . . . . 57 GLN HA . 11075 1 744 . 1 1 63 63 GLN HB2 H 1 2.435 0.004 . 2 . . . . 57 GLN HB2 . 11075 1 745 . 1 1 63 63 GLN HB3 H 1 2.276 0.005 . 2 . . . . 57 GLN HB3 . 11075 1 746 . 1 1 63 63 GLN HG2 H 1 2.685 0.001 . 2 . . . . 57 GLN QG . 11075 1 747 . 1 1 63 63 GLN HG3 H 1 2.685 0.001 . 2 . . . . 57 GLN QG . 11075 1 748 . 1 1 63 63 GLN CA C 13 59.272 0.000 . 1 . . . . 57 GLN CA . 11075 1 749 . 1 1 63 63 GLN CB C 13 27.868 0.123 . 1 . . . . 57 GLN CB . 11075 1 750 . 1 1 63 63 GLN CG C 13 33.603 0.126 . 1 . . . . 57 GLN CG . 11075 1 751 . 1 1 63 63 GLN N N 15 117.419 0.000 . 1 . . . . 57 GLN N . 11075 1 752 . 1 1 64 64 GLU H H 1 7.942 0.000 . 1 . . . . 58 GLU HN . 11075 1 753 . 1 1 64 64 GLU HA H 1 3.960 0.004 . 1 . . . . 58 GLU HA . 11075 1 754 . 1 1 64 64 GLU HB2 H 1 2.272 0.011 . 2 . . . . 58 GLU HB2 . 11075 1 755 . 1 1 64 64 GLU HB3 H 1 2.074 0.005 . 2 . . . . 58 GLU HB3 . 11075 1 756 . 1 1 64 64 GLU HG2 H 1 2.535 0.006 . 2 . . . . 58 GLU HG2 . 11075 1 757 . 1 1 64 64 GLU HG3 H 1 2.243 0.006 . 2 . . . . 58 GLU HG3 . 11075 1 758 . 1 1 64 64 GLU CA C 13 59.440 0.042 . 1 . . . . 58 GLU CA . 11075 1 759 . 1 1 64 64 GLU CB C 13 29.258 0.000 . 1 . . . . 58 GLU CB . 11075 1 760 . 1 1 64 64 GLU CG C 13 36.365 0.096 . 1 . . . . 58 GLU CG . 11075 1 761 . 1 1 64 64 GLU N N 15 119.403 0.000 . 1 . . . . 58 GLU N . 11075 1 762 . 1 1 65 65 ILE H H 1 8.468 0.000 . 1 . . . . 59 ILE HN . 11075 1 763 . 1 1 65 65 ILE HA H 1 3.667 0.004 . 1 . . . . 59 ILE HA . 11075 1 764 . 1 1 65 65 ILE HB H 1 1.799 0.003 . 1 . . . . 59 ILE HB . 11075 1 765 . 1 1 65 65 ILE HD11 H 1 0.785 0.003 . 1 . . . . 59 ILE QD1 . 11075 1 766 . 1 1 65 65 ILE HD12 H 1 0.785 0.003 . 1 . . . . 59 ILE QD1 . 11075 1 767 . 1 1 65 65 ILE HD13 H 1 0.785 0.003 . 1 . . . . 59 ILE QD1 . 11075 1 768 . 1 1 65 65 ILE HG12 H 1 1.587 0.000 . 2 . . . . 59 ILE HG12 . 11075 1 769 . 1 1 65 65 ILE HG13 H 1 1.405 0.000 . 2 . . . . 59 ILE HG13 . 11075 1 770 . 1 1 65 65 ILE HG21 H 1 0.878 0.003 . 1 . . . . 59 ILE QG2 . 11075 1 771 . 1 1 65 65 ILE HG22 H 1 0.878 0.003 . 1 . . . . 59 ILE QG2 . 11075 1 772 . 1 1 65 65 ILE HG23 H 1 0.878 0.003 . 1 . . . . 59 ILE QG2 . 11075 1 773 . 1 1 65 65 ILE CA C 13 63.470 0.073 . 1 . . . . 59 ILE CA . 11075 1 774 . 1 1 65 65 ILE CB C 13 36.521 0.000 . 1 . . . . 59 ILE CB . 11075 1 775 . 1 1 65 65 ILE CD1 C 13 12.944 0.000 . 1 . . . . 59 ILE CD1 . 11075 1 776 . 1 1 65 65 ILE CG2 C 13 18.091 0.000 . 1 . . . . 59 ILE CG2 . 11075 1 777 . 1 1 65 65 ILE N N 15 120.124 0.000 . 1 . . . . 59 ILE N . 11075 1 778 . 1 1 66 66 ASN H H 1 8.379 0.000 . 1 . . . . 60 ASN HN . 11075 1 779 . 1 1 66 66 ASN HA H 1 3.922 0.001 . 1 . . . . 60 ASN HA . 11075 1 780 . 1 1 66 66 ASN HB2 H 1 1.707 0.009 . 2 . . . . 60 ASN HB2 . 11075 1 781 . 1 1 66 66 ASN HB3 H 1 2.340 0.009 . 2 . . . . 60 ASN HB3 . 11075 1 782 . 1 1 66 66 ASN HD21 H 1 6.952 0.000 . 2 . . . . 60 ASN HD21 . 11075 1 783 . 1 1 66 66 ASN HD22 H 1 5.979 0.000 . 2 . . . . 60 ASN HD22 . 11075 1 784 . 1 1 66 66 ASN CA C 13 57.065 0.094 . 1 . . . . 60 ASN CA . 11075 1 785 . 1 1 66 66 ASN CB C 13 38.644 0.114 . 1 . . . . 60 ASN CB . 11075 1 786 . 1 1 66 66 ASN N N 15 119.917 0.000 . 1 . . . . 60 ASN N . 11075 1 787 . 1 1 66 66 ASN ND2 N 15 113.207 0.006 . 1 . . . . 60 ASN ND2 . 11075 1 788 . 1 1 67 67 VAL H H 1 7.645 0.000 . 1 . . . . 61 VAL HN . 11075 1 789 . 1 1 67 67 VAL HA H 1 3.484 0.001 . 1 . . . . 61 VAL HA . 11075 1 790 . 1 1 67 67 VAL HB H 1 2.100 0.004 . 1 . . . . 61 VAL HB . 11075 1 791 . 1 1 67 67 VAL HG11 H 1 1.050 0.005 . 2 . . . . 61 VAL QG1 . 11075 1 792 . 1 1 67 67 VAL HG12 H 1 1.050 0.005 . 2 . . . . 61 VAL QG1 . 11075 1 793 . 1 1 67 67 VAL HG13 H 1 1.050 0.005 . 2 . . . . 61 VAL QG1 . 11075 1 794 . 1 1 67 67 VAL HG21 H 1 0.867 0.004 . 2 . . . . 61 VAL QG2 . 11075 1 795 . 1 1 67 67 VAL HG22 H 1 0.867 0.004 . 2 . . . . 61 VAL QG2 . 11075 1 796 . 1 1 67 67 VAL HG23 H 1 0.867 0.004 . 2 . . . . 61 VAL QG2 . 11075 1 797 . 1 1 67 67 VAL CA C 13 66.609 0.000 . 1 . . . . 61 VAL CA . 11075 1 798 . 1 1 67 67 VAL CB C 13 31.817 0.000 . 1 . . . . 61 VAL CB . 11075 1 799 . 1 1 67 67 VAL CG1 C 13 22.931 0.000 . 2 . . . . 61 VAL CG1 . 11075 1 800 . 1 1 67 67 VAL CG2 C 13 21.202 0.002 . 2 . . . . 61 VAL CG2 . 11075 1 801 . 1 1 67 67 VAL N N 15 118.529 0.000 . 1 . . . . 61 VAL N . 11075 1 802 . 1 1 68 68 GLU H H 1 7.540 0.000 . 1 . . . . 62 GLU HN . 11075 1 803 . 1 1 68 68 GLU HA H 1 3.855 0.005 . 1 . . . . 62 GLU HA . 11075 1 804 . 1 1 68 68 GLU HB2 H 1 2.093 0.014 . 2 . . . . 62 GLU HB2 . 11075 1 805 . 1 1 68 68 GLU HB3 H 1 2.033 0.007 . 2 . . . . 62 GLU HB3 . 11075 1 806 . 1 1 68 68 GLU HG2 H 1 2.365 0.004 . 2 . . . . 62 GLU HG2 . 11075 1 807 . 1 1 68 68 GLU HG3 H 1 2.119 0.009 . 2 . . . . 62 GLU HG3 . 11075 1 808 . 1 1 68 68 GLU CA C 13 59.339 0.000 . 1 . . . . 62 GLU CA . 11075 1 809 . 1 1 68 68 GLU CB C 13 29.440 0.000 . 1 . . . . 62 GLU CB . 11075 1 810 . 1 1 68 68 GLU CG C 13 35.823 0.002 . 1 . . . . 62 GLU CG . 11075 1 811 . 1 1 68 68 GLU N N 15 121.455 0.000 . 1 . . . . 62 GLU N . 11075 1 812 . 1 1 69 69 ALA H H 1 8.360 0.000 . 1 . . . . 63 ALA HN . 11075 1 813 . 1 1 69 69 ALA HA H 1 3.081 0.000 . 1 . . . . 63 ALA HA . 11075 1 814 . 1 1 69 69 ALA HB1 H 1 0.955 0.002 . 1 . . . . 63 ALA QB . 11075 1 815 . 1 1 69 69 ALA HB2 H 1 0.955 0.002 . 1 . . . . 63 ALA QB . 11075 1 816 . 1 1 69 69 ALA HB3 H 1 0.955 0.002 . 1 . . . . 63 ALA QB . 11075 1 817 . 1 1 69 69 ALA CA C 13 54.780 0.000 . 1 . . . . 63 ALA CA . 11075 1 818 . 1 1 69 69 ALA CB C 13 18.210 0.000 . 1 . . . . 63 ALA CB . 11075 1 819 . 1 1 69 69 ALA N N 15 121.004 0.000 . 1 . . . . 63 ALA N . 11075 1 820 . 1 1 70 70 LYS H H 1 7.654 0.000 . 1 . . . . 64 LYS HN . 11075 1 821 . 1 1 70 70 LYS HA H 1 3.771 0.006 . 1 . . . . 64 LYS HA . 11075 1 822 . 1 1 70 70 LYS HB2 H 1 1.858 0.011 . 2 . . . . 64 LYS HB2 . 11075 1 823 . 1 1 70 70 LYS HB3 H 1 1.808 0.010 . 2 . . . . 64 LYS HB3 . 11075 1 824 . 1 1 70 70 LYS HD2 H 1 1.605 0.006 . 2 . . . . 64 LYS HD2 . 11075 1 825 . 1 1 70 70 LYS HD3 H 1 1.540 0.031 . 2 . . . . 64 LYS HD3 . 11075 1 826 . 1 1 70 70 LYS HE2 H 1 2.926 0.007 . 2 . . . . 64 LYS QE . 11075 1 827 . 1 1 70 70 LYS HE3 H 1 2.926 0.007 . 2 . . . . 64 LYS QE . 11075 1 828 . 1 1 70 70 LYS HG2 H 1 1.449 0.008 . 2 . . . . 64 LYS HG2 . 11075 1 829 . 1 1 70 70 LYS HG3 H 1 1.350 0.023 . 2 . . . . 64 LYS HG3 . 11075 1 830 . 1 1 70 70 LYS CA C 13 59.200 0.034 . 1 . . . . 64 LYS CA . 11075 1 831 . 1 1 70 70 LYS CB C 13 31.826 0.000 . 1 . . . . 64 LYS CB . 11075 1 832 . 1 1 70 70 LYS CD C 13 28.835 0.020 . 1 . . . . 64 LYS CD . 11075 1 833 . 1 1 70 70 LYS CE C 13 42.245 0.034 . 1 . . . . 64 LYS CE . 11075 1 834 . 1 1 70 70 LYS CG C 13 25.229 0.000 . 1 . . . . 64 LYS CG . 11075 1 835 . 1 1 70 70 LYS N N 15 118.080 0.000 . 1 . . . . 64 LYS N . 11075 1 836 . 1 1 71 71 GLN H H 1 7.535 0.000 . 1 . . . . 65 GLN HN . 11075 1 837 . 1 1 71 71 GLN HA H 1 4.028 0.006 . 1 . . . . 65 GLN HA . 11075 1 838 . 1 1 71 71 GLN HB2 H 1 2.170 0.005 . 2 . . . . 65 GLN HB2 . 11075 1 839 . 1 1 71 71 GLN HB3 H 1 2.062 0.006 . 2 . . . . 65 GLN HB3 . 11075 1 840 . 1 1 71 71 GLN HG2 H 1 2.503 0.008 . 2 . . . . 65 GLN HG2 . 11075 1 841 . 1 1 71 71 GLN HG3 H 1 2.329 0.007 . 2 . . . . 65 GLN HG3 . 11075 1 842 . 1 1 71 71 GLN CA C 13 58.773 0.000 . 1 . . . . 65 GLN CA . 11075 1 843 . 1 1 71 71 GLN CB C 13 27.756 0.055 . 1 . . . . 65 GLN CB . 11075 1 844 . 1 1 71 71 GLN CG C 13 34.178 0.000 . 1 . . . . 65 GLN CG . 11075 1 845 . 1 1 71 71 GLN N N 15 117.371 0.000 . 1 . . . . 65 GLN N . 11075 1 846 . 1 1 72 72 VAL H H 1 7.353 0.000 . 1 . . . . 66 VAL HN . 11075 1 847 . 1 1 72 72 VAL HA H 1 3.477 0.008 . 1 . . . . 66 VAL HA . 11075 1 848 . 1 1 72 72 VAL HB H 1 2.216 0.004 . 1 . . . . 66 VAL HB . 11075 1 849 . 1 1 72 72 VAL HG11 H 1 1.046 0.008 . 2 . . . . 66 VAL QG1 . 11075 1 850 . 1 1 72 72 VAL HG12 H 1 1.046 0.008 . 2 . . . . 66 VAL QG1 . 11075 1 851 . 1 1 72 72 VAL HG13 H 1 1.046 0.008 . 2 . . . . 66 VAL QG1 . 11075 1 852 . 1 1 72 72 VAL HG21 H 1 1.108 0.007 . 2 . . . . 66 VAL QG2 . 11075 1 853 . 1 1 72 72 VAL HG22 H 1 1.108 0.007 . 2 . . . . 66 VAL QG2 . 11075 1 854 . 1 1 72 72 VAL HG23 H 1 1.108 0.007 . 2 . . . . 66 VAL QG2 . 11075 1 855 . 1 1 72 72 VAL CA C 13 66.239 0.067 . 1 . . . . 66 VAL CA . 11075 1 856 . 1 1 72 72 VAL CB C 13 30.950 0.000 . 1 . . . . 66 VAL CB . 11075 1 857 . 1 1 72 72 VAL CG1 C 13 23.223 0.005 . 2 . . . . 66 VAL CG1 . 11075 1 858 . 1 1 72 72 VAL CG2 C 13 23.669 0.005 . 2 . . . . 66 VAL CG2 . 11075 1 859 . 1 1 72 72 VAL N N 15 119.320 0.000 . 1 . . . . 66 VAL N . 11075 1 860 . 1 1 73 73 LYS H H 1 8.028 0.000 . 1 . . . . 67 LYS HN . 11075 1 861 . 1 1 73 73 LYS HA H 1 3.864 0.006 . 1 . . . . 67 LYS HA . 11075 1 862 . 1 1 73 73 LYS HB2 H 1 1.883 0.010 . 2 . . . . 67 LYS HB2 . 11075 1 863 . 1 1 73 73 LYS HB3 H 1 1.826 0.007 . 2 . . . . 67 LYS HB3 . 11075 1 864 . 1 1 73 73 LYS HD2 H 1 1.667 0.007 . 2 . . . . 67 LYS HD2 . 11075 1 865 . 1 1 73 73 LYS HD3 H 1 1.579 0.008 . 2 . . . . 67 LYS HD3 . 11075 1 866 . 1 1 73 73 LYS HE2 H 1 2.978 0.004 . 2 . . . . 67 LYS HE2 . 11075 1 867 . 1 1 73 73 LYS HE3 H 1 2.904 0.008 . 2 . . . . 67 LYS HE3 . 11075 1 868 . 1 1 73 73 LYS HG2 H 1 1.486 0.007 . 2 . . . . 67 LYS HG2 . 11075 1 869 . 1 1 73 73 LYS HG3 H 1 1.433 0.005 . 2 . . . . 67 LYS HG3 . 11075 1 870 . 1 1 73 73 LYS CA C 13 59.437 0.032 . 1 . . . . 67 LYS CA . 11075 1 871 . 1 1 73 73 LYS CB C 13 32.480 0.000 . 1 . . . . 67 LYS CB . 11075 1 872 . 1 1 73 73 LYS CD C 13 28.821 0.056 . 1 . . . . 67 LYS CD . 11075 1 873 . 1 1 73 73 LYS CE C 13 42.560 0.000 . 1 . . . . 67 LYS CE . 11075 1 874 . 1 1 73 73 LYS CG C 13 24.320 0.000 . 1 . . . . 67 LYS CG . 11075 1 875 . 1 1 73 73 LYS N N 15 120.824 0.000 . 1 . . . . 67 LYS N . 11075 1 876 . 1 1 74 74 ASP H H 1 8.050 0.000 . 1 . . . . 68 ASP HN . 11075 1 877 . 1 1 74 74 ASP HA H 1 4.372 0.005 . 1 . . . . 68 ASP HA . 11075 1 878 . 1 1 74 74 ASP HB2 H 1 2.647 0.005 . 2 . . . . 68 ASP HB2 . 11075 1 879 . 1 1 74 74 ASP HB3 H 1 2.582 0.006 . 2 . . . . 68 ASP HB3 . 11075 1 880 . 1 1 74 74 ASP CA C 13 56.539 0.049 . 1 . . . . 68 ASP CA . 11075 1 881 . 1 1 74 74 ASP CB C 13 40.490 0.098 . 1 . . . . 68 ASP CB . 11075 1 882 . 1 1 74 74 ASP N N 15 117.257 0.000 . 1 . . . . 68 ASP N . 11075 1 883 . 1 1 75 75 ILE H H 1 7.537 0.000 . 1 . . . . 69 ILE HN . 11075 1 884 . 1 1 75 75 ILE HA H 1 3.925 0.004 . 1 . . . . 69 ILE HA . 11075 1 885 . 1 1 75 75 ILE HB H 1 1.716 0.004 . 1 . . . . 69 ILE HB . 11075 1 886 . 1 1 75 75 ILE HD11 H 1 0.665 0.003 . 1 . . . . 69 ILE QD1 . 11075 1 887 . 1 1 75 75 ILE HD12 H 1 0.665 0.003 . 1 . . . . 69 ILE QD1 . 11075 1 888 . 1 1 75 75 ILE HD13 H 1 0.665 0.003 . 1 . . . . 69 ILE QD1 . 11075 1 889 . 1 1 75 75 ILE HG12 H 1 1.083 0.004 . 2 . . . . 69 ILE HG12 . 11075 1 890 . 1 1 75 75 ILE HG13 H 1 1.421 0.005 . 2 . . . . 69 ILE HG13 . 11075 1 891 . 1 1 75 75 ILE HG21 H 1 0.588 0.003 . 1 . . . . 69 ILE QG2 . 11075 1 892 . 1 1 75 75 ILE HG22 H 1 0.588 0.003 . 1 . . . . 69 ILE QG2 . 11075 1 893 . 1 1 75 75 ILE HG23 H 1 0.588 0.003 . 1 . . . . 69 ILE QG2 . 11075 1 894 . 1 1 75 75 ILE CA C 13 62.339 0.000 . 1 . . . . 69 ILE CA . 11075 1 895 . 1 1 75 75 ILE CB C 13 38.418 0.000 . 1 . . . . 69 ILE CB . 11075 1 896 . 1 1 75 75 ILE CD1 C 13 13.457 0.066 . 1 . . . . 69 ILE CD1 . 11075 1 897 . 1 1 75 75 ILE CG1 C 13 28.299 0.067 . 1 . . . . 69 ILE CG1 . 11075 1 898 . 1 1 75 75 ILE CG2 C 13 17.124 0.054 . 1 . . . . 69 ILE CG2 . 11075 1 899 . 1 1 75 75 ILE N N 15 119.134 0.000 . 1 . . . . 69 ILE N . 11075 1 900 . 1 1 76 76 MET H H 1 7.632 0.000 . 1 . . . . 70 MET HN . 11075 1 901 . 1 1 76 76 MET HA H 1 4.101 0.002 . 1 . . . . 70 MET HA . 11075 1 902 . 1 1 76 76 MET HB2 H 1 2.029 0.004 . 2 . . . . 70 MET HB2 . 11075 1 903 . 1 1 76 76 MET HB3 H 1 2.076 0.005 . 2 . . . . 70 MET HB3 . 11075 1 904 . 1 1 76 76 MET HE1 H 1 1.832 0.000 . 1 . . . . 70 MET QE . 11075 1 905 . 1 1 76 76 MET HE2 H 1 1.832 0.000 . 1 . . . . 70 MET QE . 11075 1 906 . 1 1 76 76 MET HE3 H 1 1.832 0.000 . 1 . . . . 70 MET QE . 11075 1 907 . 1 1 76 76 MET HG2 H 1 2.546 0.002 . 2 . . . . 70 MET HG2 . 11075 1 908 . 1 1 76 76 MET HG3 H 1 2.477 0.003 . 2 . . . . 70 MET HG3 . 11075 1 909 . 1 1 76 76 MET CA C 13 56.808 0.064 . 1 . . . . 70 MET CA . 11075 1 910 . 1 1 76 76 MET CB C 13 33.460 0.000 . 1 . . . . 70 MET CB . 11075 1 911 . 1 1 76 76 MET CG C 13 31.730 0.000 . 1 . . . . 70 MET CG . 11075 1 912 . 1 1 76 76 MET N N 15 119.744 0.000 . 1 . . . . 70 MET N . 11075 1 913 . 1 1 77 77 LYS H H 1 7.787 0.000 . 1 . . . . 71 LYS HN . 11075 1 914 . 1 1 77 77 LYS HA H 1 4.320 0.004 . 1 . . . . 71 LYS HA . 11075 1 915 . 1 1 77 77 LYS HB2 H 1 1.891 0.012 . 2 . . . . 71 LYS HB2 . 11075 1 916 . 1 1 77 77 LYS HB3 H 1 1.828 0.006 . 2 . . . . 71 LYS HB3 . 11075 1 917 . 1 1 77 77 LYS HD2 H 1 1.676 0.013 . 2 . . . . 71 LYS HD2 . 11075 1 918 . 1 1 77 77 LYS HD3 H 1 1.631 0.010 . 2 . . . . 71 LYS HD3 . 11075 1 919 . 1 1 77 77 LYS HE2 H 1 2.987 0.010 . 2 . . . . 71 LYS HE2 . 11075 1 920 . 1 1 77 77 LYS HE3 H 1 2.925 0.014 . 2 . . . . 71 LYS HE3 . 11075 1 921 . 1 1 77 77 LYS HG2 H 1 1.490 0.010 . 2 . . . . 71 LYS HG2 . 11075 1 922 . 1 1 77 77 LYS HG3 H 1 1.433 0.005 . 2 . . . . 71 LYS HG3 . 11075 1 923 . 1 1 77 77 LYS CA C 13 56.575 0.058 . 1 . . . . 71 LYS CA . 11075 1 924 . 1 1 77 77 LYS CB C 13 32.128 0.000 . 1 . . . . 71 LYS CB . 11075 1 925 . 1 1 77 77 LYS CD C 13 29.120 0.009 . 1 . . . . 71 LYS CD . 11075 1 926 . 1 1 77 77 LYS CE C 13 42.259 0.000 . 1 . . . . 71 LYS CE . 11075 1 927 . 1 1 77 77 LYS CG C 13 24.628 0.000 . 1 . . . . 71 LYS CG . 11075 1 928 . 1 1 77 77 LYS N N 15 120.429 0.000 . 1 . . . . 71 LYS N . 11075 1 929 . 1 1 78 78 THR H H 1 7.700 0.000 . 1 . . . . 72 THR HN . 11075 1 930 . 1 1 78 78 THR HA H 1 4.123 0.001 . 1 . . . . 72 THR HA . 11075 1 931 . 1 1 78 78 THR HB H 1 4.224 0.001 . 1 . . . . 72 THR HB . 11075 1 932 . 1 1 78 78 THR HG21 H 1 1.173 0.000 . 1 . . . . 72 THR QG2 . 11075 1 933 . 1 1 78 78 THR HG22 H 1 1.173 0.000 . 1 . . . . 72 THR QG2 . 11075 1 934 . 1 1 78 78 THR HG23 H 1 1.173 0.000 . 1 . . . . 72 THR QG2 . 11075 1 935 . 1 1 78 78 THR CA C 13 63.449 0.480 . 1 . . . . 72 THR CA . 11075 1 936 . 1 1 78 78 THR CB C 13 70.770 0.318 . 1 . . . . 72 THR CB . 11075 1 937 . 1 1 78 78 THR CG2 C 13 22.021 0.000 . 1 . . . . 72 THR CG2 . 11075 1 938 . 1 1 78 78 THR N N 15 120.464 0.000 . 1 . . . . 72 THR N . 11075 1 stop_ save_