data_16198 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16198 _Entry.Title ; 1H, 13C and 15N backbone and side chain chemical shift assignments of N-terminal domain of Tim23. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-06 _Entry.Accession_date 2009-03-06 _Entry.Last_release_date 2010-11-19 _Entry.Original_release_date 2010-11-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Anushikha Thakur . . . 16198 2 Chittoor Balasubramanyam . . . 16198 3 Patrick Silva . D. . 16198 4 Hanudatta Atreya . S. . 16198 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16198 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 359 16198 '15N chemical shifts' 90 16198 '1H chemical shifts' 555 16198 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-19 2009-03-06 original author . 16198 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 16198 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H.13C and 15N backbone and side-chain resonance assignments of N-terminal domain of a mitochondrial inner membrane translocase (TIM23) from S. cerevisiae' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Anushikha Thakur . . . 16198 1 2 Chittoor Balasubramanyam . . . 16198 1 3 Patrick Silva . D. . 16198 1 4 Hanudatta Atreya . S. . 16198 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16198 _Assembly.ID 1 _Assembly.Name Tim23 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tim23 1 $Tim23 A . yes native no no . . . 16198 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tim23 _Entity.Sf_category entity _Entity.Sf_framecode Tim23 _Entity.Entry_ID 16198 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tim23 _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 ; MSWLFGDKTPTDDANAAVGG QDTTKPKELSLKQSLGFEPN INNIISGPGGMHVDTARLHP LAGLDKGVEYLDLEEEQLSS LEGSQGLIPSRGWTDDLCHH HHHH ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ GAA26110 . "K7_Mas6p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 95.19 222 97.98 98.99 4.80e-63 . . . . 16198 1 2 no EMBL CAA50640 . "MAS6 [Saccharomyces cerevisiae]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 3 no EMBL CAA52274 . "MIM23 [Saccharomyces cerevisiae]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 4 no EMBL CAA96296 . "TIM23 [Saccharomyces cerevisiae]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 5 no EMBL CAY82210 . "Tim23p [Saccharomyces cerevisiae EC1118]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 6 no GB AHY77105 . "Tim23p [Saccharomyces cerevisiae YJM993]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 7 no GB AJP41342 . "Tim23p [Saccharomyces cerevisiae YJM1078]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 8 no GB AJT01777 . "Tim23p [Saccharomyces cerevisiae YJM189]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 9 no GB AJT02149 . "Tim23p [Saccharomyces cerevisiae YJM193]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 10 no GB AJT02522 . "Tim23p [Saccharomyces cerevisiae YJM195]" . . . . . 95.19 222 97.98 98.99 4.80e-63 . . . . 16198 1 11 no REF NP_014414 . "protein transporter TIM23 [Saccharomyces cerevisiae S288c]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 12 no SP P32897 . "RecName: Full=Mitochondrial import inner membrane translocase subunit TIM23; AltName: Full=Membrane import machinery protein MI" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 1 13 no TPG DAA10558 . "TPA: protein transporter TIM23 [Saccharomyces cerevisiae S288c]" . . . . . 95.19 222 98.99 100.00 1.10e-63 . . . . 16198 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 . MET . 16198 1 2 . SER . 16198 1 3 . TRP . 16198 1 4 . LEU . 16198 1 5 . PHE . 16198 1 6 . GLY . 16198 1 7 . ASP . 16198 1 8 . LYS . 16198 1 9 . THR . 16198 1 10 . PRO . 16198 1 11 . THR . 16198 1 12 . ASP . 16198 1 13 . ASP . 16198 1 14 . ALA . 16198 1 15 . ASN . 16198 1 16 . ALA . 16198 1 17 . ALA . 16198 1 18 . VAL . 16198 1 19 . GLY . 16198 1 20 . GLY . 16198 1 21 . GLN . 16198 1 22 . ASP . 16198 1 23 . THR . 16198 1 24 . THR . 16198 1 25 . LYS . 16198 1 26 . PRO . 16198 1 27 . LYS . 16198 1 28 . GLU . 16198 1 29 . LEU . 16198 1 30 . SER . 16198 1 31 . LEU . 16198 1 32 . LYS . 16198 1 33 . GLN . 16198 1 34 . SER . 16198 1 35 . LEU . 16198 1 36 . GLY . 16198 1 37 . PHE . 16198 1 38 . GLU . 16198 1 39 . PRO . 16198 1 40 . ASN . 16198 1 41 . ILE . 16198 1 42 . ASN . 16198 1 43 . ASN . 16198 1 44 . ILE . 16198 1 45 . ILE . 16198 1 46 . SER . 16198 1 47 . GLY . 16198 1 48 . PRO . 16198 1 49 . GLY . 16198 1 50 . GLY . 16198 1 51 . MET . 16198 1 52 . HIS . 16198 1 53 . VAL . 16198 1 54 . ASP . 16198 1 55 . THR . 16198 1 56 . ALA . 16198 1 57 . ARG . 16198 1 58 . LEU . 16198 1 59 . HIS . 16198 1 60 . PRO . 16198 1 61 . LEU . 16198 1 62 . ALA . 16198 1 63 . GLY . 16198 1 64 . LEU . 16198 1 65 . ASP . 16198 1 66 . LYS . 16198 1 67 . GLY . 16198 1 68 . VAL . 16198 1 69 . GLU . 16198 1 70 . TYR . 16198 1 71 . LEU . 16198 1 72 . ASP . 16198 1 73 . LEU . 16198 1 74 . GLU . 16198 1 75 . GLU . 16198 1 76 . GLU . 16198 1 77 . GLN . 16198 1 78 . LEU . 16198 1 79 . SER . 16198 1 80 . SER . 16198 1 81 . LEU . 16198 1 82 . GLU . 16198 1 83 . GLY . 16198 1 84 . SER . 16198 1 85 . GLN . 16198 1 86 . GLY . 16198 1 87 . LEU . 16198 1 88 . ILE . 16198 1 89 . PRO . 16198 1 90 . SER . 16198 1 91 . ARG . 16198 1 92 . GLY . 16198 1 93 . TRP . 16198 1 94 . THR . 16198 1 95 . ASP . 16198 1 96 . ASP . 16198 1 97 . LEU . 16198 1 98 . CYS . 16198 1 99 . HIS . 16198 1 100 . HIS . 16198 1 101 . HIS . 16198 1 102 . HIS . 16198 1 103 . HIS . 16198 1 104 . HIS . 16198 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 . MET 1 1 16198 1 . SER 2 2 16198 1 . TRP 3 3 16198 1 . LEU 4 4 16198 1 . PHE 5 5 16198 1 . GLY 6 6 16198 1 . ASP 7 7 16198 1 . LYS 8 8 16198 1 . THR 9 9 16198 1 . PRO 10 10 16198 1 . THR 11 11 16198 1 . ASP 12 12 16198 1 . ASP 13 13 16198 1 . ALA 14 14 16198 1 . ASN 15 15 16198 1 . ALA 16 16 16198 1 . ALA 17 17 16198 1 . VAL 18 18 16198 1 . GLY 19 19 16198 1 . GLY 20 20 16198 1 . GLN 21 21 16198 1 . ASP 22 22 16198 1 . THR 23 23 16198 1 . THR 24 24 16198 1 . LYS 25 25 16198 1 . PRO 26 26 16198 1 . LYS 27 27 16198 1 . GLU 28 28 16198 1 . LEU 29 29 16198 1 . SER 30 30 16198 1 . LEU 31 31 16198 1 . LYS 32 32 16198 1 . GLN 33 33 16198 1 . SER 34 34 16198 1 . LEU 35 35 16198 1 . GLY 36 36 16198 1 . PHE 37 37 16198 1 . GLU 38 38 16198 1 . PRO 39 39 16198 1 . ASN 40 40 16198 1 . ILE 41 41 16198 1 . ASN 42 42 16198 1 . ASN 43 43 16198 1 . ILE 44 44 16198 1 . ILE 45 45 16198 1 . SER 46 46 16198 1 . GLY 47 47 16198 1 . PRO 48 48 16198 1 . GLY 49 49 16198 1 . GLY 50 50 16198 1 . MET 51 51 16198 1 . HIS 52 52 16198 1 . VAL 53 53 16198 1 . ASP 54 54 16198 1 . THR 55 55 16198 1 . ALA 56 56 16198 1 . ARG 57 57 16198 1 . LEU 58 58 16198 1 . HIS 59 59 16198 1 . PRO 60 60 16198 1 . LEU 61 61 16198 1 . ALA 62 62 16198 1 . GLY 63 63 16198 1 . LEU 64 64 16198 1 . ASP 65 65 16198 1 . LYS 66 66 16198 1 . GLY 67 67 16198 1 . VAL 68 68 16198 1 . GLU 69 69 16198 1 . TYR 70 70 16198 1 . LEU 71 71 16198 1 . ASP 72 72 16198 1 . LEU 73 73 16198 1 . GLU 74 74 16198 1 . GLU 75 75 16198 1 . GLU 76 76 16198 1 . GLN 77 77 16198 1 . LEU 78 78 16198 1 . SER 79 79 16198 1 . SER 80 80 16198 1 . LEU 81 81 16198 1 . GLU 82 82 16198 1 . GLY 83 83 16198 1 . SER 84 84 16198 1 . GLN 85 85 16198 1 . GLY 86 86 16198 1 . LEU 87 87 16198 1 . ILE 88 88 16198 1 . PRO 89 89 16198 1 . SER 90 90 16198 1 . ARG 91 91 16198 1 . GLY 92 92 16198 1 . TRP 93 93 16198 1 . THR 94 94 16198 1 . ASP 95 95 16198 1 . ASP 96 96 16198 1 . LEU 97 97 16198 1 . CYS 98 98 16198 1 . HIS 99 99 16198 1 . HIS 100 100 16198 1 . HIS 101 101 16198 1 . HIS 102 102 16198 1 . HIS 103 103 16198 1 . HIS 104 104 16198 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 16198 _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 $Tim23 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16198 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 16198 _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 $Tim23 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3a . . . . . . 16198 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16198 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tim23 '[U-100% 13C; U-100% 15N]' . . 1 $Tim23 . . 1 . . mM . . . . 16198 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16198 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16198 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16198 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16198 1 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 16198 _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 16198 1 pH 6.5 . pH 16198 1 pressure 1 . atm 16198 1 temperature 298 . K 16198 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16198 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16198 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16198 1 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 16198 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16198 _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 Avance . 700 . . . 16198 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 16198 _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 . . . . . . . . . . . . . . . . 16198 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16198 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16198 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16198 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16198 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16198 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 16198 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 50.12 . indirect 1.00 . . . . . . . . . 16198 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.00 . . . . . . . . . 16198 1 N 15 DSS nitrogen . . . . ppm 118.05 . indirect 1.00 . . . . . . . . . 16198 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 16198 _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' . . . 16198 1 2 '3D CBCA(CO)NH' . . . 16198 1 3 '3D HNCO' . . . 16198 1 4 '3D HNCACB' . . . 16198 1 5 '3D H(CCO)NH' . . . 16198 1 6 '3D C(CO)NH' . . . 16198 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 4.206 0.02 . 1 . . . . 2 SER HA . 16198 1 2 . 1 1 2 2 SER HB2 H 1 3.784 0.02 . 2 . . . . 2 SER HB2 . 16198 1 3 . 1 1 2 2 SER HB3 H 1 3.771 0.02 . 2 . . . . 2 SER HB3 . 16198 1 4 . 1 1 2 2 SER C C 13 174.594 0.1 . 1 . . . . 2 SER C . 16198 1 5 . 1 1 2 2 SER CA C 13 59.204 0.1 . 1 . . . . 2 SER CA . 16198 1 6 . 1 1 2 2 SER CB C 13 63.904 0.1 . 1 . . . . 2 SER CB . 16198 1 7 . 1 1 3 3 TRP H H 1 7.975 0.02 . 1 . . . . 3 TRP H . 16198 1 8 . 1 1 3 3 TRP HA H 1 4.653 0.02 . 1 . . . . 3 TRP HA . 16198 1 9 . 1 1 3 3 TRP HB2 H 1 3.164 0.02 . 2 . . . . 3 TRP HB2 . 16198 1 10 . 1 1 3 3 TRP HB3 H 1 3.159 0.02 . 2 . . . . 3 TRP HB3 . 16198 1 11 . 1 1 3 3 TRP HD1 H 1 7.054 0.02 . 1 . . . . 3 TRP HD1 . 16198 1 12 . 1 1 3 3 TRP HE1 H 1 10.098 0.02 . 1 . . . . 3 TRP HE1 . 16198 1 13 . 1 1 3 3 TRP HE3 H 1 7.409 0.02 . 1 . . . . 3 TRP HE3 . 16198 1 14 . 1 1 3 3 TRP C C 13 175.577 0.1 . 1 . . . . 3 TRP C . 16198 1 15 . 1 1 3 3 TRP CA C 13 57.504 0.1 . 1 . . . . 3 TRP CA . 16198 1 16 . 1 1 3 3 TRP CB C 13 29.304 0.1 . 1 . . . . 3 TRP CB . 16198 1 17 . 1 1 3 3 TRP N N 15 121.799 0.2 . 1 . . . . 3 TRP N . 16198 1 18 . 1 1 3 3 TRP NE1 N 15 129.494 0.2 . 1 . . . . 3 TRP NE1 . 16198 1 19 . 1 1 4 4 LEU H H 1 8.018 0.02 . 1 . . . . 4 LEU H . 16198 1 20 . 1 1 4 4 LEU HA H 1 4.096 0.02 . 1 . . . . 4 LEU HA . 16198 1 21 . 1 1 4 4 LEU HB2 H 1 1.262 0.02 . 2 . . . . 4 LEU HB2 . 16198 1 22 . 1 1 4 4 LEU HB3 H 1 1.243 0.02 . 2 . . . . 4 LEU HB3 . 16198 1 23 . 1 1 4 4 LEU HD11 H 1 0.722 0.02 . 2 . . . . 4 LEU QD1 . 16198 1 24 . 1 1 4 4 LEU HD12 H 1 0.722 0.02 . 2 . . . . 4 LEU QD1 . 16198 1 25 . 1 1 4 4 LEU HD13 H 1 0.722 0.02 . 2 . . . . 4 LEU QD1 . 16198 1 26 . 1 1 4 4 LEU HD21 H 1 0.696 0.02 . 2 . . . . 4 LEU QD2 . 16198 1 27 . 1 1 4 4 LEU HD22 H 1 0.696 0.02 . 2 . . . . 4 LEU QD2 . 16198 1 28 . 1 1 4 4 LEU HD23 H 1 0.696 0.02 . 2 . . . . 4 LEU QD2 . 16198 1 29 . 1 1 4 4 LEU HG H 1 1.214 0.02 . 1 . . . . 4 LEU HG . 16198 1 30 . 1 1 4 4 LEU C C 13 176.310 0.1 . 1 . . . . 4 LEU C . 16198 1 31 . 1 1 4 4 LEU CA C 13 55.451 0.1 . 1 . . . . 4 LEU CA . 16198 1 32 . 1 1 4 4 LEU CB C 13 42.860 0.1 . 1 . . . . 4 LEU CB . 16198 1 33 . 1 1 4 4 LEU CD1 C 13 25.006 0.1 . 1 . . . . 4 LEU CD1 . 16198 1 34 . 1 1 4 4 LEU CD2 C 13 24.113 0.1 . 1 . . . . 4 LEU CD2 . 16198 1 35 . 1 1 4 4 LEU CG C 13 27.167 0.1 . 1 . . . . 4 LEU CG . 16198 1 36 . 1 1 4 4 LEU N N 15 124.578 0.2 . 1 . . . . 4 LEU N . 16198 1 37 . 1 1 5 5 PHE H H 1 7.729 0.02 . 1 . . . . 5 PHE H . 16198 1 38 . 1 1 5 5 PHE HA H 1 4.461 0.02 . 1 . . . . 5 PHE HA . 16198 1 39 . 1 1 5 5 PHE HB2 H 1 3.103 0.02 . 2 . . . . 5 PHE HB2 . 16198 1 40 . 1 1 5 5 PHE HB3 H 1 2.881 0.02 . 2 . . . . 5 PHE HB3 . 16198 1 41 . 1 1 5 5 PHE C C 13 175.964 0.1 . 1 . . . . 5 PHE C . 16198 1 42 . 1 1 5 5 PHE CA C 13 58.112 0.1 . 1 . . . . 5 PHE CA . 16198 1 43 . 1 1 5 5 PHE CB C 13 39.480 0.1 . 1 . . . . 5 PHE CB . 16198 1 44 . 1 1 5 5 PHE N N 15 119.597 0.2 . 1 . . . . 5 PHE N . 16198 1 45 . 1 1 6 6 GLY H H 1 8.165 0.02 . 1 . . . . 6 GLY H . 16198 1 46 . 1 1 6 6 GLY HA2 H 1 3.887 0.02 . 2 . . . . 6 GLY HA2 . 16198 1 47 . 1 1 6 6 GLY HA3 H 1 3.755 0.02 . 2 . . . . 6 GLY HA3 . 16198 1 48 . 1 1 6 6 GLY C C 13 173.691 0.1 . 1 . . . . 6 GLY C . 16198 1 49 . 1 1 6 6 GLY CA C 13 45.504 0.1 . 1 . . . . 6 GLY CA . 16198 1 50 . 1 1 6 6 GLY N N 15 110.682 0.2 . 1 . . . . 6 GLY N . 16198 1 51 . 1 1 7 7 ASP H H 1 8.184 0.02 . 1 . . . . 7 ASP H . 16198 1 52 . 1 1 7 7 ASP HA H 1 4.523 0.02 . 1 . . . . 7 ASP HA . 16198 1 53 . 1 1 7 7 ASP HB2 H 1 2.622 0.02 . 2 . . . . 7 ASP HB2 . 16198 1 54 . 1 1 7 7 ASP HB3 H 1 2.585 0.02 . 2 . . . . 7 ASP HB3 . 16198 1 55 . 1 1 7 7 ASP C C 13 176.054 0.1 . 1 . . . . 7 ASP C . 16198 1 56 . 1 1 7 7 ASP CA C 13 54.622 0.1 . 1 . . . . 7 ASP CA . 16198 1 57 . 1 1 7 7 ASP CB C 13 41.412 0.1 . 1 . . . . 7 ASP CB . 16198 1 58 . 1 1 7 7 ASP N N 15 120.726 0.2 . 1 . . . . 7 ASP N . 16198 1 59 . 1 1 8 8 LYS H H 1 8.204 0.02 . 1 . . . . 8 LYS H . 16198 1 60 . 1 1 8 8 LYS HA H 1 4.311 0.02 . 1 . . . . 8 LYS HA . 16198 1 61 . 1 1 8 8 LYS HD2 H 1 1.626 0.02 . 2 . . . . 8 LYS HD2 . 16198 1 62 . 1 1 8 8 LYS HD3 H 1 1.717 0.02 . 2 . . . . 8 LYS HD3 . 16198 1 63 . 1 1 8 8 LYS HE2 H 1 2.928 0.02 . 2 . . . . 8 LYS HE2 . 16198 1 64 . 1 1 8 8 LYS HE3 H 1 2.901 0.02 . 2 . . . . 8 LYS HE3 . 16198 1 65 . 1 1 8 8 LYS HG2 H 1 1.390 0.02 . 2 . . . . 8 LYS HG2 . 16198 1 66 . 1 1 8 8 LYS HG3 H 1 1.288 0.02 . 2 . . . . 8 LYS HG3 . 16198 1 67 . 1 1 8 8 LYS C C 13 176.304 0.1 . 1 . . . . 8 LYS C . 16198 1 68 . 1 1 8 8 LYS CA C 13 57.007 0.1 . 1 . . . . 8 LYS CA . 16198 1 69 . 1 1 8 8 LYS CB C 13 33.017 0.1 . 1 . . . . 8 LYS CB . 16198 1 70 . 1 1 8 8 LYS CD C 13 29.606 0.1 . 1 . . . . 8 LYS CD . 16198 1 71 . 1 1 8 8 LYS CE C 13 42.699 0.1 . 1 . . . . 8 LYS CE . 16198 1 72 . 1 1 8 8 LYS CG C 13 25.294 0.1 . 1 . . . . 8 LYS CG . 16198 1 73 . 1 1 8 8 LYS N N 15 121.681 0.2 . 1 . . . . 8 LYS N . 16198 1 74 . 1 1 9 9 THR H H 1 8.243 0.02 . 1 . . . . 9 THR H . 16198 1 75 . 1 1 9 9 THR HA H 1 5.070 0.02 . 1 . . . . 9 THR HA . 16198 1 76 . 1 1 9 9 THR CA C 13 60.500 0.1 . 1 . . . . 9 THR CA . 16198 1 77 . 1 1 9 9 THR CB C 13 69.800 0.1 . 1 . . . . 9 THR CB . 16198 1 78 . 1 1 9 9 THR N N 15 118.291 0.2 . 1 . . . . 9 THR N . 16198 1 79 . 1 1 10 10 PRO HA H 1 4.397 0.02 . 1 . . . . 10 PRO HA . 16198 1 80 . 1 1 10 10 PRO HB2 H 1 2.257 0.02 . 2 . . . . 10 PRO HB2 . 16198 1 81 . 1 1 10 10 PRO HB3 H 1 2.241 0.02 . 2 . . . . 10 PRO HB3 . 16198 1 82 . 1 1 10 10 PRO HD2 H 1 3.701 0.02 . 2 . . . . 10 PRO HD2 . 16198 1 83 . 1 1 10 10 PRO HD3 H 1 3.665 0.02 . 2 . . . . 10 PRO HD3 . 16198 1 84 . 1 1 10 10 PRO HG2 H 1 1.929 0.02 . 2 . . . . 10 PRO HG2 . 16198 1 85 . 1 1 10 10 PRO HG3 H 1 1.903 0.02 . 2 . . . . 10 PRO HG3 . 16198 1 86 . 1 1 10 10 PRO C C 13 176.996 0.1 . 1 . . . . 10 PRO C . 16198 1 87 . 1 1 10 10 PRO CA C 13 63.733 0.1 . 1 . . . . 10 PRO CA . 16198 1 88 . 1 1 10 10 PRO CB C 13 32.506 0.1 . 1 . . . . 10 PRO CB . 16198 1 89 . 1 1 10 10 PRO CD C 13 51.277 0.1 . 1 . . . . 10 PRO CD . 16198 1 90 . 1 1 10 10 PRO CG C 13 27.593 0.1 . 1 . . . . 10 PRO CG . 16198 1 91 . 1 1 11 11 THR H H 1 8.124 0.02 . 1 . . . . 11 THR H . 16198 1 92 . 1 1 11 11 THR HA H 1 4.256 0.02 . 1 . . . . 11 THR HA . 16198 1 93 . 1 1 11 11 THR HB H 1 4.203 0.02 . 1 . . . . 11 THR HB . 16198 1 94 . 1 1 11 11 THR HG21 H 1 1.128 0.02 . 1 . . . . 11 THR QG2 . 16198 1 95 . 1 1 11 11 THR HG22 H 1 1.128 0.02 . 1 . . . . 11 THR QG2 . 16198 1 96 . 1 1 11 11 THR HG23 H 1 1.128 0.02 . 1 . . . . 11 THR QG2 . 16198 1 97 . 1 1 11 11 THR C C 13 174.242 0.1 . 1 . . . . 11 THR C . 16198 1 98 . 1 1 11 11 THR CA C 13 62.007 0.1 . 1 . . . . 11 THR CA . 16198 1 99 . 1 1 11 11 THR CB C 13 70.131 0.1 . 1 . . . . 11 THR CB . 16198 1 100 . 1 1 11 11 THR CG2 C 13 22.326 0.1 . 1 . . . . 11 THR CG2 . 16198 1 101 . 1 1 11 11 THR N N 15 113.708 0.2 . 1 . . . . 11 THR N . 16198 1 102 . 1 1 12 12 ASP H H 1 8.274 0.02 . 1 . . . . 12 ASP H . 16198 1 103 . 1 1 12 12 ASP HA H 1 5.070 0.02 . 1 . . . . 12 ASP HA . 16198 1 104 . 1 1 12 12 ASP N N 15 122.533 0.2 . 1 . . . . 12 ASP N . 16198 1 105 . 1 1 13 13 ASP HA H 1 4.517 0.02 . 1 . . . . 13 ASP HA . 16198 1 106 . 1 1 13 13 ASP HB2 H 1 2.613 0.02 . 2 . . . . 13 ASP HB2 . 16198 1 107 . 1 1 13 13 ASP HB3 H 1 2.569 0.02 . 2 . . . . 13 ASP HB3 . 16198 1 108 . 1 1 13 13 ASP C C 13 174.896 0.1 . 1 . . . . 13 ASP C . 16198 1 109 . 1 1 13 13 ASP CA C 13 54.907 0.1 . 1 . . . . 13 ASP CA . 16198 1 110 . 1 1 13 13 ASP CB C 13 41.525 0.1 . 1 . . . . 13 ASP CB . 16198 1 111 . 1 1 14 14 ALA H H 1 8.289 0.02 . 1 . . . . 14 ALA H . 16198 1 112 . 1 1 14 14 ALA HA H 1 4.200 0.02 . 1 . . . . 14 ALA HA . 16198 1 113 . 1 1 14 14 ALA HB1 H 1 1.351 0.02 . 1 . . . . 14 ALA QB . 16198 1 114 . 1 1 14 14 ALA HB2 H 1 1.351 0.02 . 1 . . . . 14 ALA QB . 16198 1 115 . 1 1 14 14 ALA HB3 H 1 1.351 0.02 . 1 . . . . 14 ALA QB . 16198 1 116 . 1 1 14 14 ALA C C 13 177.969 0.1 . 1 . . . . 14 ALA C . 16198 1 117 . 1 1 14 14 ALA CA C 13 53.731 0.1 . 1 . . . . 14 ALA CA . 16198 1 118 . 1 1 14 14 ALA CB C 13 19.244 0.1 . 1 . . . . 14 ALA CB . 16198 1 119 . 1 1 14 14 ALA N N 15 124.272 0.2 . 1 . . . . 14 ALA N . 16198 1 120 . 1 1 15 15 ASN H H 1 8.275 0.02 . 1 . . . . 15 ASN H . 16198 1 121 . 1 1 15 15 ASN HA H 1 4.612 0.02 . 1 . . . . 15 ASN HA . 16198 1 122 . 1 1 15 15 ASN HB2 H 1 2.780 0.02 . 2 . . . . 15 ASN HB2 . 16198 1 123 . 1 1 15 15 ASN HB3 H 1 2.702 0.02 . 2 . . . . 15 ASN HB3 . 16198 1 124 . 1 1 15 15 ASN C C 13 175.088 0.1 . 1 . . . . 15 ASN C . 16198 1 125 . 1 1 15 15 ASN CA C 13 53.813 0.1 . 1 . . . . 15 ASN CA . 16198 1 126 . 1 1 15 15 ASN CB C 13 39.120 0.1 . 1 . . . . 15 ASN CB . 16198 1 127 . 1 1 15 15 ASN N N 15 116.629 0.2 . 1 . . . . 15 ASN N . 16198 1 128 . 1 1 16 16 ALA H H 1 7.957 0.02 . 1 . . . . 16 ALA H . 16198 1 129 . 1 1 16 16 ALA HA H 1 4.200 0.02 . 1 . . . . 16 ALA HA . 16198 1 130 . 1 1 16 16 ALA HB1 H 1 1.327 0.02 . 1 . . . . 16 ALA QB . 16198 1 131 . 1 1 16 16 ALA HB2 H 1 1.327 0.02 . 1 . . . . 16 ALA QB . 16198 1 132 . 1 1 16 16 ALA HB3 H 1 1.327 0.02 . 1 . . . . 16 ALA QB . 16198 1 133 . 1 1 16 16 ALA C C 13 177.387 0.1 . 1 . . . . 16 ALA C . 16198 1 134 . 1 1 16 16 ALA CA C 13 53.104 0.1 . 1 . . . . 16 ALA CA . 16198 1 135 . 1 1 16 16 ALA CB C 13 19.404 0.1 . 1 . . . . 16 ALA CB . 16198 1 136 . 1 1 16 16 ALA N N 15 123.821 0.2 . 1 . . . . 16 ALA N . 16198 1 137 . 1 1 17 17 ALA H H 1 8.136 0.02 . 1 . . . . 17 ALA H . 16198 1 138 . 1 1 17 17 ALA HA H 1 4.304 0.02 . 1 . . . . 17 ALA HA . 16198 1 139 . 1 1 17 17 ALA HB1 H 1 1.328 0.02 . 1 . . . . 17 ALA QB . 16198 1 140 . 1 1 17 17 ALA HB2 H 1 1.328 0.02 . 1 . . . . 17 ALA QB . 16198 1 141 . 1 1 17 17 ALA HB3 H 1 1.328 0.02 . 1 . . . . 17 ALA QB . 16198 1 142 . 1 1 17 17 ALA C C 13 177.786 0.1 . 1 . . . . 17 ALA C . 16198 1 143 . 1 1 17 17 ALA CA C 13 52.804 0.1 . 1 . . . . 17 ALA CA . 16198 1 144 . 1 1 17 17 ALA CB C 13 19.304 0.1 . 1 . . . . 17 ALA CB . 16198 1 145 . 1 1 17 17 ALA N N 15 122.740 0.2 . 1 . . . . 17 ALA N . 16198 1 146 . 1 1 18 18 VAL H H 1 7.972 0.02 . 1 . . . . 18 VAL H . 16198 1 147 . 1 1 18 18 VAL HA H 1 4.087 0.02 . 1 . . . . 18 VAL HA . 16198 1 148 . 1 1 18 18 VAL HB H 1 2.032 0.02 . 1 . . . . 18 VAL HB . 16198 1 149 . 1 1 18 18 VAL HG11 H 1 0.912 0.02 . 2 . . . . 18 VAL QG1 . 16198 1 150 . 1 1 18 18 VAL HG12 H 1 0.912 0.02 . 2 . . . . 18 VAL QG1 . 16198 1 151 . 1 1 18 18 VAL HG13 H 1 0.912 0.02 . 2 . . . . 18 VAL QG1 . 16198 1 152 . 1 1 18 18 VAL HG21 H 1 0.865 0.02 . 2 . . . . 18 VAL QG2 . 16198 1 153 . 1 1 18 18 VAL HG22 H 1 0.865 0.02 . 2 . . . . 18 VAL QG2 . 16198 1 154 . 1 1 18 18 VAL HG23 H 1 0.865 0.02 . 2 . . . . 18 VAL QG2 . 16198 1 155 . 1 1 18 18 VAL C C 13 176.721 0.1 . 1 . . . . 18 VAL C . 16198 1 156 . 1 1 18 18 VAL CA C 13 62.604 0.1 . 1 . . . . 18 VAL CA . 16198 1 157 . 1 1 18 18 VAL CB C 13 32.904 0.1 . 1 . . . . 18 VAL CB . 16198 1 158 . 1 1 18 18 VAL CG1 C 13 21.069 0.1 . 1 . . . . 18 VAL CG1 . 16198 1 159 . 1 1 18 18 VAL CG2 C 13 20.722 0.1 . 1 . . . . 18 VAL CG2 . 16198 1 160 . 1 1 18 18 VAL N N 15 118.838 0.2 . 1 . . . . 18 VAL N . 16198 1 161 . 1 1 19 19 GLY H H 1 8.418 0.02 . 1 . . . . 19 GLY H . 16198 1 162 . 1 1 19 19 GLY HA2 H 1 3.882 0.02 . 2 . . . . 19 GLY HA2 . 16198 1 163 . 1 1 19 19 GLY HA3 H 1 3.862 0.02 . 2 . . . . 19 GLY HA3 . 16198 1 164 . 1 1 19 19 GLY C C 13 173.661 0.1 . 1 . . . . 19 GLY C . 16198 1 165 . 1 1 19 19 GLY CA C 13 45.604 0.1 . 1 . . . . 19 GLY CA . 16198 1 166 . 1 1 19 19 GLY N N 15 112.146 0.2 . 1 . . . . 19 GLY N . 16198 1 167 . 1 1 20 20 GLY H H 1 7.973 0.02 . 1 . . . . 20 GLY H . 16198 1 168 . 1 1 20 20 GLY HA2 H 1 3.933 0.02 . 2 . . . . 20 GLY HA2 . 16198 1 169 . 1 1 20 20 GLY HA3 H 1 3.890 0.02 . 2 . . . . 20 GLY HA3 . 16198 1 170 . 1 1 20 20 GLY C C 13 176.186 0.1 . 1 . . . . 20 GLY C . 16198 1 171 . 1 1 20 20 GLY CA C 13 45.606 0.1 . 1 . . . . 20 GLY CA . 16198 1 172 . 1 1 20 20 GLY N N 15 121.316 0.2 . 1 . . . . 20 GLY N . 16198 1 173 . 1 1 21 21 GLN H H 1 8.299 0.02 . 1 . . . . 21 GLN H . 16198 1 174 . 1 1 21 21 GLN HA H 1 4.305 0.02 . 1 . . . . 21 GLN HA . 16198 1 175 . 1 1 21 21 GLN HB2 H 1 1.981 0.02 . 2 . . . . 21 GLN HB2 . 16198 1 176 . 1 1 21 21 GLN HB3 H 1 1.942 0.02 . 2 . . . . 21 GLN HB3 . 16198 1 177 . 1 1 21 21 GLN HG2 H 1 2.391 0.02 . 2 . . . . 21 GLN HG2 . 16198 1 178 . 1 1 21 21 GLN HG3 H 1 2.308 0.02 . 2 . . . . 21 GLN HG3 . 16198 1 179 . 1 1 21 21 GLN C C 13 175.602 0.1 . 1 . . . . 21 GLN C . 16198 1 180 . 1 1 21 21 GLN CA C 13 56.233 0.1 . 1 . . . . 21 GLN CA . 16198 1 181 . 1 1 21 21 GLN CB C 13 29.725 0.1 . 1 . . . . 21 GLN CB . 16198 1 182 . 1 1 21 21 GLN CG C 13 34.355 0.1 . 1 . . . . 21 GLN CG . 16198 1 183 . 1 1 21 21 GLN N N 15 119.629 0.2 . 1 . . . . 21 GLN N . 16198 1 184 . 1 1 22 22 ASP H H 1 8.469 0.02 . 1 . . . . 22 ASP H . 16198 1 185 . 1 1 22 22 ASP HA H 1 4.634 0.02 . 1 . . . . 22 ASP HA . 16198 1 186 . 1 1 22 22 ASP HB2 H 1 2.673 0.02 . 2 . . . . 22 ASP HB2 . 16198 1 187 . 1 1 22 22 ASP HB3 H 1 2.658 0.02 . 2 . . . . 22 ASP HB3 . 16198 1 188 . 1 1 22 22 ASP C C 13 176.654 0.1 . 1 . . . . 22 ASP C . 16198 1 189 . 1 1 22 22 ASP CA C 13 54.611 0.1 . 1 . . . . 22 ASP CA . 16198 1 190 . 1 1 22 22 ASP CB C 13 41.307 0.1 . 1 . . . . 22 ASP CB . 16198 1 191 . 1 1 22 22 ASP N N 15 121.732 0.2 . 1 . . . . 22 ASP N . 16198 1 192 . 1 1 23 23 THR H H 1 8.204 0.02 . 1 . . . . 23 THR H . 16198 1 193 . 1 1 23 23 THR HA H 1 4.311 0.02 . 1 . . . . 23 THR HA . 16198 1 194 . 1 1 23 23 THR HB H 1 4.279 0.02 . 1 . . . . 23 THR HB . 16198 1 195 . 1 1 23 23 THR HG21 H 1 1.161 0.02 . 1 . . . . 23 THR QG2 . 16198 1 196 . 1 1 23 23 THR HG22 H 1 1.161 0.02 . 1 . . . . 23 THR QG2 . 16198 1 197 . 1 1 23 23 THR HG23 H 1 1.161 0.02 . 1 . . . . 23 THR QG2 . 16198 1 198 . 1 1 23 23 THR C C 13 174.881 0.1 . 1 . . . . 23 THR C . 16198 1 199 . 1 1 23 23 THR CA C 13 62.299 0.1 . 1 . . . . 23 THR CA . 16198 1 200 . 1 1 23 23 THR CB C 13 69.707 0.1 . 1 . . . . 23 THR CB . 16198 1 201 . 1 1 23 23 THR CG2 C 13 21.943 0.1 . 1 . . . . 23 THR CG2 . 16198 1 202 . 1 1 23 23 THR N N 15 114.558 0.2 . 1 . . . . 23 THR N . 16198 1 203 . 1 1 24 24 THR H H 1 8.233 0.02 . 1 . . . . 24 THR H . 16198 1 204 . 1 1 24 24 THR HA H 1 4.236 0.02 . 1 . . . . 24 THR HA . 16198 1 205 . 1 1 24 24 THR HB H 1 4.184 0.02 . 1 . . . . 24 THR HB . 16198 1 206 . 1 1 24 24 THR HG21 H 1 1.137 0.02 . 1 . . . . 24 THR QG2 . 16198 1 207 . 1 1 24 24 THR HG22 H 1 1.137 0.02 . 1 . . . . 24 THR QG2 . 16198 1 208 . 1 1 24 24 THR HG23 H 1 1.137 0.02 . 1 . . . . 24 THR QG2 . 16198 1 209 . 1 1 24 24 THR C C 13 174.245 0.1 . 1 . . . . 24 THR C . 16198 1 210 . 1 1 24 24 THR CA C 13 62.615 0.1 . 1 . . . . 24 THR CA . 16198 1 211 . 1 1 24 24 THR CB C 13 69.925 0.1 . 1 . . . . 24 THR CB . 16198 1 212 . 1 1 24 24 THR CG2 C 13 21.914 0.1 . 1 . . . . 24 THR CG2 . 16198 1 213 . 1 1 24 24 THR N N 15 116.124 0.2 . 1 . . . . 24 THR N . 16198 1 214 . 1 1 25 25 LYS H H 1 8.132 0.02 . 1 . . . . 25 LYS H . 16198 1 215 . 1 1 25 25 LYS HA H 1 5.070 0.02 . 1 . . . . 25 LYS HA . 16198 1 216 . 1 1 25 25 LYS CA C 13 54.500 0.1 . 1 . . . . 25 LYS CA . 16198 1 217 . 1 1 25 25 LYS CB C 13 32.700 0.1 . 1 . . . . 25 LYS CB . 16198 1 218 . 1 1 25 25 LYS N N 15 124.914 0.2 . 1 . . . . 25 LYS N . 16198 1 219 . 1 1 26 26 PRO HA H 1 4.369 0.02 . 1 . . . . 26 PRO HA . 16198 1 220 . 1 1 26 26 PRO HB2 H 1 2.247 0.02 . 2 . . . . 26 PRO HB2 . 16198 1 221 . 1 1 26 26 PRO HB3 H 1 2.231 0.02 . 2 . . . . 26 PRO HB3 . 16198 1 222 . 1 1 26 26 PRO HD2 H 1 3.871 0.02 . 2 . . . . 26 PRO HD2 . 16198 1 223 . 1 1 26 26 PRO HD3 H 1 3.854 0.02 . 2 . . . . 26 PRO HD3 . 16198 1 224 . 1 1 26 26 PRO HG2 H 1 1.940 0.02 . 2 . . . . 26 PRO HG2 . 16198 1 225 . 1 1 26 26 PRO HG3 H 1 1.912 0.02 . 2 . . . . 26 PRO HG3 . 16198 1 226 . 1 1 26 26 PRO C C 13 176.965 0.1 . 1 . . . . 26 PRO C . 16198 1 227 . 1 1 26 26 PRO CA C 13 63.526 0.1 . 1 . . . . 26 PRO CA . 16198 1 228 . 1 1 26 26 PRO CB C 13 32.549 0.1 . 1 . . . . 26 PRO CB . 16198 1 229 . 1 1 26 26 PRO CD C 13 51.612 0.1 . 1 . . . . 26 PRO CD . 16198 1 230 . 1 1 26 26 PRO CG C 13 28.181 0.1 . 1 . . . . 26 PRO CG . 16198 1 231 . 1 1 27 27 LYS H H 1 8.430 0.02 . 1 . . . . 27 LYS H . 16198 1 232 . 1 1 27 27 LYS HA H 1 4.197 0.02 . 1 . . . . 27 LYS HA . 16198 1 233 . 1 1 27 27 LYS HB2 H 1 1.840 0.02 . 2 . . . . 27 LYS HB2 . 16198 1 234 . 1 1 27 27 LYS HB3 H 1 1.811 0.02 . 2 . . . . 27 LYS HB3 . 16198 1 235 . 1 1 27 27 LYS HD2 H 1 1.688 0.02 . 2 . . . . 27 LYS HD2 . 16198 1 236 . 1 1 27 27 LYS HD3 H 1 1.671 0.02 . 2 . . . . 27 LYS HD3 . 16198 1 237 . 1 1 27 27 LYS HE2 H 1 2.960 0.02 . 2 . . . . 27 LYS HE2 . 16198 1 238 . 1 1 27 27 LYS HE3 H 1 2.937 0.02 . 2 . . . . 27 LYS HE3 . 16198 1 239 . 1 1 27 27 LYS HG2 H 1 1.408 0.02 . 2 . . . . 27 LYS HG2 . 16198 1 240 . 1 1 27 27 LYS HG3 H 1 1.379 0.02 . 2 . . . . 27 LYS HG3 . 16198 1 241 . 1 1 27 27 LYS C C 13 176.725 0.1 . 1 . . . . 27 LYS C . 16198 1 242 . 1 1 27 27 LYS CA C 13 57.020 0.1 . 1 . . . . 27 LYS CA . 16198 1 243 . 1 1 27 27 LYS CB C 13 33.109 0.1 . 1 . . . . 27 LYS CB . 16198 1 244 . 1 1 27 27 LYS CD C 13 29.455 0.1 . 1 . . . . 27 LYS CD . 16198 1 245 . 1 1 27 27 LYS CE C 13 42.596 0.1 . 1 . . . . 27 LYS CE . 16198 1 246 . 1 1 27 27 LYS CG C 13 25.139 0.1 . 1 . . . . 27 LYS CG . 16198 1 247 . 1 1 27 27 LYS N N 15 121.973 0.2 . 1 . . . . 27 LYS N . 16198 1 248 . 1 1 28 28 GLU H H 1 8.453 0.02 . 1 . . . . 28 GLU H . 16198 1 249 . 1 1 28 28 GLU HA H 1 4.257 0.02 . 1 . . . . 28 GLU HA . 16198 1 250 . 1 1 28 28 GLU HB2 H 1 1.973 0.02 . 2 . . . . 28 GLU HB2 . 16198 1 251 . 1 1 28 28 GLU HB3 H 1 1.957 0.02 . 2 . . . . 28 GLU HB3 . 16198 1 252 . 1 1 28 28 GLU HG2 H 1 2.259 0.02 . 2 . . . . 28 GLU HG2 . 16198 1 253 . 1 1 28 28 GLU HG3 H 1 2.198 0.02 . 2 . . . . 28 GLU HG3 . 16198 1 254 . 1 1 28 28 GLU C C 13 176.366 0.1 . 1 . . . . 28 GLU C . 16198 1 255 . 1 1 28 28 GLU CA C 13 57.124 0.1 . 1 . . . . 28 GLU CA . 16198 1 256 . 1 1 28 28 GLU CB C 13 30.124 0.1 . 1 . . . . 28 GLU CB . 16198 1 257 . 1 1 28 28 GLU CG C 13 36.640 0.1 . 1 . . . . 28 GLU CG . 16198 1 258 . 1 1 28 28 GLU N N 15 121.629 0.2 . 1 . . . . 28 GLU N . 16198 1 259 . 1 1 29 29 LEU H H 1 8.228 0.02 . 1 . . . . 29 LEU H . 16198 1 260 . 1 1 29 29 LEU HA H 1 4.306 0.02 . 1 . . . . 29 LEU HA . 16198 1 261 . 1 1 29 29 LEU HB2 H 1 1.518 0.02 . 2 . . . . 29 LEU HB2 . 16198 1 262 . 1 1 29 29 LEU HB3 H 1 1.557 0.02 . 2 . . . . 29 LEU HB3 . 16198 1 263 . 1 1 29 29 LEU HD11 H 1 0.841 0.02 . 2 . . . . 29 LEU QD1 . 16198 1 264 . 1 1 29 29 LEU HD12 H 1 0.841 0.02 . 2 . . . . 29 LEU QD1 . 16198 1 265 . 1 1 29 29 LEU HD13 H 1 0.841 0.02 . 2 . . . . 29 LEU QD1 . 16198 1 266 . 1 1 29 29 LEU HD21 H 1 0.785 0.02 . 2 . . . . 29 LEU QD2 . 16198 1 267 . 1 1 29 29 LEU HD22 H 1 0.785 0.02 . 2 . . . . 29 LEU QD2 . 16198 1 268 . 1 1 29 29 LEU HD23 H 1 0.785 0.02 . 2 . . . . 29 LEU QD2 . 16198 1 269 . 1 1 29 29 LEU HG H 1 1.608 0.02 . 1 . . . . 29 LEU HG . 16198 1 270 . 1 1 29 29 LEU C C 13 177.310 0.1 . 1 . . . . 29 LEU C . 16198 1 271 . 1 1 29 29 LEU CA C 13 55.704 0.1 . 1 . . . . 29 LEU CA . 16198 1 272 . 1 1 29 29 LEU CB C 13 42.704 0.1 . 1 . . . . 29 LEU CB . 16198 1 273 . 1 1 29 29 LEU CD1 C 13 25.309 0.1 . 1 . . . . 29 LEU CD1 . 16198 1 274 . 1 1 29 29 LEU CD2 C 13 24.050 0.1 . 1 . . . . 29 LEU CD2 . 16198 1 275 . 1 1 29 29 LEU CG C 13 27.513 0.1 . 1 . . . . 29 LEU CG . 16198 1 276 . 1 1 29 29 LEU N N 15 123.122 0.2 . 1 . . . . 29 LEU N . 16198 1 277 . 1 1 30 30 SER H H 1 8.260 0.02 . 1 . . . . 30 SER H . 16198 1 278 . 1 1 30 30 SER HA H 1 4.405 0.02 . 1 . . . . 30 SER HA . 16198 1 279 . 1 1 30 30 SER HB2 H 1 3.819 0.02 . 2 . . . . 30 SER HB2 . 16198 1 280 . 1 1 30 30 SER HB3 H 1 3.766 0.02 . 2 . . . . 30 SER HB3 . 16198 1 281 . 1 1 30 30 SER C C 13 174.445 0.1 . 1 . . . . 30 SER C . 16198 1 282 . 1 1 30 30 SER CA C 13 58.710 0.1 . 1 . . . . 30 SER CA . 16198 1 283 . 1 1 30 30 SER CB C 13 63.905 0.1 . 1 . . . . 30 SER CB . 16198 1 284 . 1 1 30 30 SER N N 15 116.490 0.2 . 1 . . . . 30 SER N . 16198 1 285 . 1 1 31 31 LEU H H 1 8.262 0.02 . 1 . . . . 31 LEU H . 16198 1 286 . 1 1 31 31 LEU HA H 1 4.496 0.02 . 1 . . . . 31 LEU HA . 16198 1 287 . 1 1 31 31 LEU HB2 H 1 1.610 0.02 . 2 . . . . 31 LEU HB2 . 16198 1 288 . 1 1 31 31 LEU HB3 H 1 1.591 0.02 . 2 . . . . 31 LEU HB3 . 16198 1 289 . 1 1 31 31 LEU HD11 H 1 0.867 0.02 . 2 . . . . 31 LEU QD1 . 16198 1 290 . 1 1 31 31 LEU HD12 H 1 0.867 0.02 . 2 . . . . 31 LEU QD1 . 16198 1 291 . 1 1 31 31 LEU HD13 H 1 0.867 0.02 . 2 . . . . 31 LEU QD1 . 16198 1 292 . 1 1 31 31 LEU HD21 H 1 0.836 0.02 . 2 . . . . 31 LEU QD2 . 16198 1 293 . 1 1 31 31 LEU HD22 H 1 0.836 0.02 . 2 . . . . 31 LEU QD2 . 16198 1 294 . 1 1 31 31 LEU HD23 H 1 0.836 0.02 . 2 . . . . 31 LEU QD2 . 16198 1 295 . 1 1 31 31 LEU HG H 1 1.641 0.02 . 1 . . . . 31 LEU HG . 16198 1 296 . 1 1 31 31 LEU C C 13 177.429 0.1 . 1 . . . . 31 LEU C . 16198 1 297 . 1 1 31 31 LEU CA C 13 55.747 0.1 . 1 . . . . 31 LEU CA . 16198 1 298 . 1 1 31 31 LEU CB C 13 42.523 0.1 . 1 . . . . 31 LEU CB . 16198 1 299 . 1 1 31 31 LEU CD1 C 13 25.280 0.1 . 1 . . . . 31 LEU CD1 . 16198 1 300 . 1 1 31 31 LEU CD2 C 13 24.286 0.1 . 1 . . . . 31 LEU CD2 . 16198 1 301 . 1 1 31 31 LEU CG C 13 27.441 0.1 . 1 . . . . 31 LEU CG . 16198 1 302 . 1 1 31 31 LEU N N 15 123.772 0.2 . 1 . . . . 31 LEU N . 16198 1 303 . 1 1 32 32 LYS H H 1 8.196 0.02 . 1 . . . . 32 LYS H . 16198 1 304 . 1 1 32 32 LYS HA H 1 4.212 0.02 . 1 . . . . 32 LYS HA . 16198 1 305 . 1 1 32 32 LYS HB2 H 1 1.666 0.02 . 2 . . . . 32 LYS HB2 . 16198 1 306 . 1 1 32 32 LYS HB3 H 1 1.717 0.02 . 2 . . . . 32 LYS HB3 . 16198 1 307 . 1 1 32 32 LYS HD2 H 1 1.486 0.02 . 2 . . . . 32 LYS HD2 . 16198 1 308 . 1 1 32 32 LYS HD3 H 1 1.428 0.02 . 2 . . . . 32 LYS HD3 . 16198 1 309 . 1 1 32 32 LYS HE2 H 1 2.894 0.02 . 2 . . . . 32 LYS HE2 . 16198 1 310 . 1 1 32 32 LYS HE3 H 1 2.946 0.02 . 2 . . . . 32 LYS HE3 . 16198 1 311 . 1 1 32 32 LYS HG2 H 1 1.177 0.02 . 2 . . . . 32 LYS HG2 . 16198 1 312 . 1 1 32 32 LYS HG3 H 1 1.145 0.02 . 2 . . . . 32 LYS HG3 . 16198 1 313 . 1 1 32 32 LYS C C 13 176.322 0.1 . 1 . . . . 32 LYS C . 16198 1 314 . 1 1 32 32 LYS CA C 13 56.936 0.1 . 1 . . . . 32 LYS CA . 16198 1 315 . 1 1 32 32 LYS CB C 13 33.122 0.1 . 1 . . . . 32 LYS CB . 16198 1 316 . 1 1 32 32 LYS CD C 13 29.392 0.1 . 1 . . . . 32 LYS CD . 16198 1 317 . 1 1 32 32 LYS CE C 13 42.535 0.1 . 1 . . . . 32 LYS CE . 16198 1 318 . 1 1 32 32 LYS CG C 13 25.097 0.1 . 1 . . . . 32 LYS CG . 16198 1 319 . 1 1 32 32 LYS N N 15 121.360 0.2 . 1 . . . . 32 LYS N . 16198 1 320 . 1 1 33 33 GLN H H 1 8.263 0.02 . 1 . . . . 33 GLN H . 16198 1 321 . 1 1 33 33 GLN HA H 1 4.306 0.02 . 1 . . . . 33 GLN HA . 16198 1 322 . 1 1 33 33 GLN HB2 H 1 2.030 0.02 . 2 . . . . 33 GLN HB2 . 16198 1 323 . 1 1 33 33 GLN HB3 H 1 1.993 0.02 . 2 . . . . 33 GLN HB3 . 16198 1 324 . 1 1 33 33 GLN HG2 H 1 2.332 0.02 . 2 . . . . 33 GLN HG2 . 16198 1 325 . 1 1 33 33 GLN HG3 H 1 2.286 0.02 . 2 . . . . 33 GLN HG3 . 16198 1 326 . 1 1 33 33 GLN C C 13 175.994 0.1 . 1 . . . . 33 GLN C . 16198 1 327 . 1 1 33 33 GLN CA C 13 56.623 0.1 . 1 . . . . 33 GLN CA . 16198 1 328 . 1 1 33 33 GLN CB C 13 29.823 0.1 . 1 . . . . 33 GLN CB . 16198 1 329 . 1 1 33 33 GLN CG C 13 34.401 0.1 . 1 . . . . 33 GLN CG . 16198 1 330 . 1 1 33 33 GLN N N 15 121.210 0.2 . 1 . . . . 33 GLN N . 16198 1 331 . 1 1 34 34 SER H H 1 8.313 0.02 . 1 . . . . 34 SER H . 16198 1 332 . 1 1 34 34 SER HA H 1 4.380 0.02 . 1 . . . . 34 SER HA . 16198 1 333 . 1 1 34 34 SER HB2 H 1 3.871 0.02 . 2 . . . . 34 SER HB2 . 16198 1 334 . 1 1 34 34 SER HB3 H 1 3.828 0.02 . 2 . . . . 34 SER HB3 . 16198 1 335 . 1 1 34 34 SER C C 13 174.594 0.1 . 1 . . . . 34 SER C . 16198 1 336 . 1 1 34 34 SER CA C 13 58.804 0.1 . 1 . . . . 34 SER CA . 16198 1 337 . 1 1 34 34 SER CB C 13 63.904 0.1 . 1 . . . . 34 SER CB . 16198 1 338 . 1 1 34 34 SER N N 15 116.969 0.2 . 1 . . . . 34 SER N . 16198 1 339 . 1 1 35 35 LEU H H 1 8.198 0.02 . 1 . . . . 35 LEU H . 16198 1 340 . 1 1 35 35 LEU HA H 1 3.936 0.02 . 1 . . . . 35 LEU HA . 16198 1 341 . 1 1 35 35 LEU HB2 H 1 1.591 0.02 . 2 . . . . 35 LEU HB2 . 16198 1 342 . 1 1 35 35 LEU HB3 H 1 1.529 0.02 . 2 . . . . 35 LEU HB3 . 16198 1 343 . 1 1 35 35 LEU HD11 H 1 0.852 0.02 . 2 . . . . 35 LEU QD1 . 16198 1 344 . 1 1 35 35 LEU HD12 H 1 0.852 0.02 . 2 . . . . 35 LEU QD1 . 16198 1 345 . 1 1 35 35 LEU HD13 H 1 0.852 0.02 . 2 . . . . 35 LEU QD1 . 16198 1 346 . 1 1 35 35 LEU HD21 H 1 0.813 0.02 . 2 . . . . 35 LEU QD2 . 16198 1 347 . 1 1 35 35 LEU HD22 H 1 0.813 0.02 . 2 . . . . 35 LEU QD2 . 16198 1 348 . 1 1 35 35 LEU HD23 H 1 0.813 0.02 . 2 . . . . 35 LEU QD2 . 16198 1 349 . 1 1 35 35 LEU HG H 1 1.496 0.02 . 1 . . . . 35 LEU HG . 16198 1 350 . 1 1 35 35 LEU C C 13 177.595 0.1 . 1 . . . . 35 LEU C . 16198 1 351 . 1 1 35 35 LEU CA C 13 55.823 0.1 . 1 . . . . 35 LEU CA . 16198 1 352 . 1 1 35 35 LEU CB C 13 42.414 0.1 . 1 . . . . 35 LEU CB . 16198 1 353 . 1 1 35 35 LEU CD1 C 13 25.497 0.1 . 1 . . . . 35 LEU CD1 . 16198 1 354 . 1 1 35 35 LEU CD2 C 13 23.868 0.1 . 1 . . . . 35 LEU CD2 . 16198 1 355 . 1 1 35 35 LEU CG C 13 27.419 0.1 . 1 . . . . 35 LEU CG . 16198 1 356 . 1 1 35 35 LEU N N 15 124.142 0.2 . 1 . . . . 35 LEU N . 16198 1 357 . 1 1 36 36 GLY H H 1 8.276 0.02 . 1 . . . . 36 GLY H . 16198 1 358 . 1 1 36 36 GLY HA2 H 1 3.912 0.02 . 2 . . . . 36 GLY HA2 . 16198 1 359 . 1 1 36 36 GLY HA3 H 1 3.775 0.02 . 2 . . . . 36 GLY HA3 . 16198 1 360 . 1 1 36 36 GLY C C 13 173.403 0.1 . 1 . . . . 36 GLY C . 16198 1 361 . 1 1 36 36 GLY CA C 13 45.511 0.1 . 1 . . . . 36 GLY CA . 16198 1 362 . 1 1 36 36 GLY N N 15 108.704 0.2 . 1 . . . . 36 GLY N . 16198 1 363 . 1 1 37 37 PHE H H 1 7.918 0.02 . 1 . . . . 37 PHE H . 16198 1 364 . 1 1 37 37 PHE HA H 1 4.507 0.02 . 1 . . . . 37 PHE HA . 16198 1 365 . 1 1 37 37 PHE HB2 H 1 3.032 0.02 . 2 . . . . 37 PHE HB2 . 16198 1 366 . 1 1 37 37 PHE HB3 H 1 2.983 0.02 . 2 . . . . 37 PHE HB3 . 16198 1 367 . 1 1 37 37 PHE HD1 H 1 7.069 0.02 . 1 . . . . 37 PHE HD1 . 16198 1 368 . 1 1 37 37 PHE HD2 H 1 7.069 0.02 . 1 . . . . 37 PHE HD2 . 16198 1 369 . 1 1 37 37 PHE C C 13 176.450 0.1 . 1 . . . . 37 PHE C . 16198 1 370 . 1 1 37 37 PHE CA C 13 57.631 0.1 . 1 . . . . 37 PHE CA . 16198 1 371 . 1 1 37 37 PHE CB C 13 40.029 0.1 . 1 . . . . 37 PHE CB . 16198 1 372 . 1 1 37 37 PHE N N 15 119.452 0.2 . 1 . . . . 37 PHE N . 16198 1 373 . 1 1 38 38 GLU H H 1 8.289 0.02 . 1 . . . . 38 GLU H . 16198 1 374 . 1 1 38 38 GLU CA C 13 54.300 0.1 . 1 . . . . 38 GLU CA . 16198 1 375 . 1 1 38 38 GLU CB C 13 30.300 0.1 . 1 . . . . 38 GLU CB . 16198 1 376 . 1 1 38 38 GLU N N 15 124.608 0.2 . 1 . . . . 38 GLU N . 16198 1 377 . 1 1 39 39 PRO HA H 1 4.318 0.02 . 1 . . . . 39 PRO HA . 16198 1 378 . 1 1 39 39 PRO HB2 H 1 2.242 0.02 . 2 . . . . 39 PRO HB2 . 16198 1 379 . 1 1 39 39 PRO HB3 H 1 2.209 0.02 . 2 . . . . 39 PRO HB3 . 16198 1 380 . 1 1 39 39 PRO HG2 H 1 1.912 0.02 . 2 . . . . 39 PRO HG2 . 16198 1 381 . 1 1 39 39 PRO HG3 H 1 1.889 0.02 . 2 . . . . 39 PRO HG3 . 16198 1 382 . 1 1 39 39 PRO C C 13 176.436 0.1 . 1 . . . . 39 PRO C . 16198 1 383 . 1 1 39 39 PRO CA C 13 63.623 0.1 . 1 . . . . 39 PRO CA . 16198 1 384 . 1 1 39 39 PRO CB C 13 32.408 0.1 . 1 . . . . 39 PRO CB . 16198 1 385 . 1 1 39 39 PRO CD C 13 51.345 0.1 . 1 . . . . 39 PRO CD . 16198 1 386 . 1 1 39 39 PRO CG C 13 28.059 0.1 . 1 . . . . 39 PRO CG . 16198 1 387 . 1 1 40 40 ASN H H 1 8.532 0.02 . 1 . . . . 40 ASN H . 16198 1 388 . 1 1 40 40 ASN HA H 1 4.648 0.02 . 1 . . . . 40 ASN HA . 16198 1 389 . 1 1 40 40 ASN HB2 H 1 2.786 0.02 . 2 . . . . 40 ASN HB2 . 16198 1 390 . 1 1 40 40 ASN HB3 H 1 2.762 0.02 . 2 . . . . 40 ASN HB3 . 16198 1 391 . 1 1 40 40 ASN C C 13 175.329 0.1 . 1 . . . . 40 ASN C . 16198 1 392 . 1 1 40 40 ASN CA C 13 53.521 0.1 . 1 . . . . 40 ASN CA . 16198 1 393 . 1 1 40 40 ASN CB C 13 39.006 0.1 . 1 . . . . 40 ASN CB . 16198 1 394 . 1 1 40 40 ASN N N 15 118.535 0.2 . 1 . . . . 40 ASN N . 16198 1 395 . 1 1 41 41 ILE H H 1 8.033 0.02 . 1 . . . . 41 ILE H . 16198 1 396 . 1 1 41 41 ILE HA H 1 4.255 0.02 . 1 . . . . 41 ILE HA . 16198 1 397 . 1 1 41 41 ILE HB H 1 1.669 0.02 . 1 . . . . 41 ILE HB . 16198 1 398 . 1 1 41 41 ILE HD11 H 1 0.774 0.02 . 1 . . . . 41 ILE QD1 . 16198 1 399 . 1 1 41 41 ILE HD12 H 1 0.774 0.02 . 1 . . . . 41 ILE QD1 . 16198 1 400 . 1 1 41 41 ILE HD13 H 1 0.774 0.02 . 1 . . . . 41 ILE QD1 . 16198 1 401 . 1 1 41 41 ILE HG12 H 1 1.546 0.02 . 2 . . . . 41 ILE HG12 . 16198 1 402 . 1 1 41 41 ILE HG13 H 1 1.496 0.02 . 2 . . . . 41 ILE HG13 . 16198 1 403 . 1 1 41 41 ILE HG21 H 1 0.841 0.02 . 1 . . . . 41 ILE QG2 . 16198 1 404 . 1 1 41 41 ILE HG22 H 1 0.841 0.02 . 1 . . . . 41 ILE QG2 . 16198 1 405 . 1 1 41 41 ILE HG23 H 1 0.841 0.02 . 1 . . . . 41 ILE QG2 . 16198 1 406 . 1 1 41 41 ILE C C 13 175.772 0.1 . 1 . . . . 41 ILE C . 16198 1 407 . 1 1 41 41 ILE CA C 13 61.945 0.1 . 1 . . . . 41 ILE CA . 16198 1 408 . 1 1 41 41 ILE CB C 13 38.816 0.1 . 1 . . . . 41 ILE CB . 16198 1 409 . 1 1 41 41 ILE CD1 C 13 13.894 0.1 . 1 . . . . 41 ILE CD1 . 16198 1 410 . 1 1 41 41 ILE CG1 C 13 28.238 0.1 . 1 . . . . 41 ILE CG1 . 16198 1 411 . 1 1 41 41 ILE CG2 C 13 18.436 0.1 . 1 . . . . 41 ILE CG2 . 16198 1 412 . 1 1 41 41 ILE N N 15 120.635 0.2 . 1 . . . . 41 ILE N . 16198 1 413 . 1 1 42 42 ASN H H 1 8.393 0.02 . 1 . . . . 42 ASN H . 16198 1 414 . 1 1 42 42 ASN HA H 1 4.639 0.02 . 1 . . . . 42 ASN HA . 16198 1 415 . 1 1 42 42 ASN HB2 H 1 2.760 0.02 . 2 . . . . 42 ASN HB2 . 16198 1 416 . 1 1 42 42 ASN HB3 H 1 2.722 0.02 . 2 . . . . 42 ASN HB3 . 16198 1 417 . 1 1 42 42 ASN C C 13 174.707 0.1 . 1 . . . . 42 ASN C . 16198 1 418 . 1 1 42 42 ASN CA C 13 53.908 0.1 . 1 . . . . 42 ASN CA . 16198 1 419 . 1 1 42 42 ASN CB C 13 39.007 0.1 . 1 . . . . 42 ASN CB . 16198 1 420 . 1 1 42 42 ASN N N 15 121.019 0.2 . 1 . . . . 42 ASN N . 16198 1 421 . 1 1 43 43 ASN H H 1 8.242 0.02 . 1 . . . . 43 ASN H . 16198 1 422 . 1 1 43 43 ASN HA H 1 4.643 0.02 . 1 . . . . 43 ASN HA . 16198 1 423 . 1 1 43 43 ASN HB2 H 1 2.711 0.02 . 2 . . . . 43 ASN HB2 . 16198 1 424 . 1 1 43 43 ASN HB3 H 1 2.680 0.02 . 2 . . . . 43 ASN HB3 . 16198 1 425 . 1 1 43 43 ASN C C 13 174.715 0.1 . 1 . . . . 43 ASN C . 16198 1 426 . 1 1 43 43 ASN CA C 13 53.808 0.1 . 1 . . . . 43 ASN CA . 16198 1 427 . 1 1 43 43 ASN CB C 13 38.982 0.1 . 1 . . . . 43 ASN CB . 16198 1 428 . 1 1 43 43 ASN N N 15 118.926 0.2 . 1 . . . . 43 ASN N . 16198 1 429 . 1 1 44 44 ILE H H 1 7.962 0.02 . 1 . . . . 44 ILE H . 16198 1 430 . 1 1 44 44 ILE HA H 1 4.273 0.02 . 1 . . . . 44 ILE HA . 16198 1 431 . 1 1 44 44 ILE HB H 1 1.772 0.02 . 1 . . . . 44 ILE HB . 16198 1 432 . 1 1 44 44 ILE HD11 H 1 0.759 0.02 . 1 . . . . 44 ILE QD1 . 16198 1 433 . 1 1 44 44 ILE HD12 H 1 0.759 0.02 . 1 . . . . 44 ILE QD1 . 16198 1 434 . 1 1 44 44 ILE HD13 H 1 0.759 0.02 . 1 . . . . 44 ILE QD1 . 16198 1 435 . 1 1 44 44 ILE HG12 H 1 1.605 0.02 . 2 . . . . 44 ILE HG12 . 16198 1 436 . 1 1 44 44 ILE HG13 H 1 1.557 0.02 . 2 . . . . 44 ILE HG13 . 16198 1 437 . 1 1 44 44 ILE HG21 H 1 0.867 0.02 . 1 . . . . 44 ILE QG2 . 16198 1 438 . 1 1 44 44 ILE HG22 H 1 0.867 0.02 . 1 . . . . 44 ILE QG2 . 16198 1 439 . 1 1 44 44 ILE HG23 H 1 0.867 0.02 . 1 . . . . 44 ILE QG2 . 16198 1 440 . 1 1 44 44 ILE C C 13 176.091 0.1 . 1 . . . . 44 ILE C . 16198 1 441 . 1 1 44 44 ILE CA C 13 61.953 0.1 . 1 . . . . 44 ILE CA . 16198 1 442 . 1 1 44 44 ILE CB C 13 38.830 0.1 . 1 . . . . 44 ILE CB . 16198 1 443 . 1 1 44 44 ILE CD1 C 13 13.686 0.1 . 1 . . . . 44 ILE CD1 . 16198 1 444 . 1 1 44 44 ILE CG1 C 13 27.773 0.1 . 1 . . . . 44 ILE CG1 . 16198 1 445 . 1 1 44 44 ILE CG2 C 13 18.322 0.1 . 1 . . . . 44 ILE CG2 . 16198 1 446 . 1 1 44 44 ILE N N 15 120.747 0.2 . 1 . . . . 44 ILE N . 16198 1 447 . 1 1 45 45 ILE H H 1 8.192 0.02 . 1 . . . . 45 ILE H . 16198 1 448 . 1 1 45 45 ILE HA H 1 4.531 0.02 . 1 . . . . 45 ILE HA . 16198 1 449 . 1 1 45 45 ILE HB H 1 1.811 0.02 . 1 . . . . 45 ILE HB . 16198 1 450 . 1 1 45 45 ILE HD11 H 1 0.801 0.02 . 1 . . . . 45 ILE QD1 . 16198 1 451 . 1 1 45 45 ILE HD12 H 1 0.801 0.02 . 1 . . . . 45 ILE QD1 . 16198 1 452 . 1 1 45 45 ILE HD13 H 1 0.801 0.02 . 1 . . . . 45 ILE QD1 . 16198 1 453 . 1 1 45 45 ILE HG21 H 1 0.839 0.02 . 1 . . . . 45 ILE QG2 . 16198 1 454 . 1 1 45 45 ILE HG22 H 1 0.839 0.02 . 1 . . . . 45 ILE QG2 . 16198 1 455 . 1 1 45 45 ILE HG23 H 1 0.839 0.02 . 1 . . . . 45 ILE QG2 . 16198 1 456 . 1 1 45 45 ILE C C 13 175.941 0.1 . 1 . . . . 45 ILE C . 16198 1 457 . 1 1 45 45 ILE CA C 13 61.521 0.1 . 1 . . . . 45 ILE CA . 16198 1 458 . 1 1 45 45 ILE CB C 13 38.809 0.1 . 1 . . . . 45 ILE CB . 16198 1 459 . 1 1 45 45 ILE CD1 C 13 13.042 0.1 . 1 . . . . 45 ILE CD1 . 16198 1 460 . 1 1 45 45 ILE CG2 C 13 17.836 0.1 . 1 . . . . 45 ILE CG2 . 16198 1 461 . 1 1 45 45 ILE N N 15 124.444 0.2 . 1 . . . . 45 ILE N . 16198 1 462 . 1 1 46 46 SER H H 1 8.293 0.02 . 1 . . . . 46 SER H . 16198 1 463 . 1 1 46 46 SER HA H 1 4.465 0.02 . 1 . . . . 46 SER HA . 16198 1 464 . 1 1 46 46 SER HB2 H 1 3.751 0.02 . 2 . . . . 46 SER HB2 . 16198 1 465 . 1 1 46 46 SER HB3 H 1 3.791 0.02 . 2 . . . . 46 SER HB3 . 16198 1 466 . 1 1 46 46 SER C C 13 174.332 0.1 . 1 . . . . 46 SER C . 16198 1 467 . 1 1 46 46 SER CA C 13 58.504 0.1 . 1 . . . . 46 SER CA . 16198 1 468 . 1 1 46 46 SER CB C 13 64.404 0.1 . 1 . . . . 46 SER CB . 16198 1 469 . 1 1 46 46 SER N N 15 119.581 0.2 . 1 . . . . 46 SER N . 16198 1 470 . 1 1 47 47 GLY H H 1 8.171 0.02 . 1 . . . . 47 GLY H . 16198 1 471 . 1 1 47 47 GLY CA C 13 45.000 0.1 . 1 . . . . 47 GLY CA . 16198 1 472 . 1 1 47 47 GLY N N 15 110.717 0.2 . 1 . . . . 47 GLY N . 16198 1 473 . 1 1 48 48 PRO HA H 1 4.408 0.02 . 1 . . . . 48 PRO HA . 16198 1 474 . 1 1 48 48 PRO HB2 H 1 2.235 0.02 . 2 . . . . 48 PRO HB2 . 16198 1 475 . 1 1 48 48 PRO HB3 H 1 2.211 0.02 . 2 . . . . 48 PRO HB3 . 16198 1 476 . 1 1 48 48 PRO HD2 H 1 3.600 0.02 . 2 . . . . 48 PRO HD2 . 16198 1 477 . 1 1 48 48 PRO HD3 H 1 3.568 0.02 . 2 . . . . 48 PRO HD3 . 16198 1 478 . 1 1 48 48 PRO HG2 H 1 1.947 0.02 . 2 . . . . 48 PRO HG2 . 16198 1 479 . 1 1 48 48 PRO HG3 H 1 1.928 0.02 . 2 . . . . 48 PRO HG3 . 16198 1 480 . 1 1 48 48 PRO C C 13 177.787 0.1 . 1 . . . . 48 PRO C . 16198 1 481 . 1 1 48 48 PRO CA C 13 64.029 0.1 . 1 . . . . 48 PRO CA . 16198 1 482 . 1 1 48 48 PRO CB C 13 32.318 0.1 . 1 . . . . 48 PRO CB . 16198 1 483 . 1 1 48 48 PRO CD C 13 49.976 0.1 . 1 . . . . 48 PRO CD . 16198 1 484 . 1 1 48 48 PRO CG C 13 27.208 0.1 . 1 . . . . 48 PRO CG . 16198 1 485 . 1 1 49 49 GLY H H 1 8.577 0.02 . 1 . . . . 49 GLY H . 16198 1 486 . 1 1 49 49 GLY HA2 H 1 3.934 0.02 . 2 . . . . 49 GLY HA2 . 16198 1 487 . 1 1 49 49 GLY HA3 H 1 3.896 0.02 . 2 . . . . 49 GLY HA3 . 16198 1 488 . 1 1 49 49 GLY C C 13 174.638 0.1 . 1 . . . . 49 GLY C . 16198 1 489 . 1 1 49 49 GLY CA C 13 45.705 0.1 . 1 . . . . 49 GLY CA . 16198 1 490 . 1 1 49 49 GLY N N 15 109.412 0.2 . 1 . . . . 49 GLY N . 16198 1 491 . 1 1 50 50 GLY H H 1 8.179 0.02 . 1 . . . . 50 GLY H . 16198 1 492 . 1 1 50 50 GLY HA2 H 1 3.922 0.02 . 2 . . . . 50 GLY HA2 . 16198 1 493 . 1 1 50 50 GLY HA3 H 1 3.879 0.02 . 2 . . . . 50 GLY HA3 . 16198 1 494 . 1 1 50 50 GLY C C 13 173.924 0.1 . 1 . . . . 50 GLY C . 16198 1 495 . 1 1 50 50 GLY CA C 13 45.505 0.1 . 1 . . . . 50 GLY CA . 16198 1 496 . 1 1 50 50 GLY N N 15 108.302 0.2 . 1 . . . . 50 GLY N . 16198 1 497 . 1 1 51 51 MET H H 1 8.112 0.02 . 1 . . . . 51 MET H . 16198 1 498 . 1 1 51 51 MET HA H 1 4.368 0.02 . 1 . . . . 51 MET HA . 16198 1 499 . 1 1 51 51 MET HB2 H 1 2.287 0.02 . 2 . . . . 51 MET HB2 . 16198 1 500 . 1 1 51 51 MET HB3 H 1 2.253 0.02 . 2 . . . . 51 MET HB3 . 16198 1 501 . 1 1 51 51 MET HE1 H 1 1.910 0.02 . 1 . . . . 51 MET QE . 16198 1 502 . 1 1 51 51 MET HE2 H 1 1.910 0.02 . 1 . . . . 51 MET QE . 16198 1 503 . 1 1 51 51 MET HE3 H 1 1.910 0.02 . 1 . . . . 51 MET QE . 16198 1 504 . 1 1 51 51 MET HG2 H 1 2.506 0.02 . 2 . . . . 51 MET HG2 . 16198 1 505 . 1 1 51 51 MET HG3 H 1 2.458 0.02 . 2 . . . . 51 MET HG3 . 16198 1 506 . 1 1 51 51 MET C C 13 175.741 0.1 . 1 . . . . 51 MET C . 16198 1 507 . 1 1 51 51 MET CA C 13 55.804 0.1 . 1 . . . . 51 MET CA . 16198 1 508 . 1 1 51 51 MET CB C 13 33.304 0.1 . 1 . . . . 51 MET CB . 16198 1 509 . 1 1 51 51 MET CG C 13 32.511 0.1 . 1 . . . . 51 MET CG . 16198 1 510 . 1 1 51 51 MET N N 15 119.430 0.2 . 1 . . . . 51 MET N . 16198 1 511 . 1 1 52 52 HIS H H 1 8.472 0.02 . 1 . . . . 52 HIS H . 16198 1 512 . 1 1 52 52 HIS HA H 1 4.634 0.02 . 1 . . . . 52 HIS HA . 16198 1 513 . 1 1 52 52 HIS HB2 H 1 3.107 0.02 . 2 . . . . 52 HIS HB2 . 16198 1 514 . 1 1 52 52 HIS HB3 H 1 3.074 0.02 . 2 . . . . 52 HIS HB3 . 16198 1 515 . 1 1 52 52 HIS C C 13 174.570 0.1 . 1 . . . . 52 HIS C . 16198 1 516 . 1 1 52 52 HIS CA C 13 56.204 0.1 . 1 . . . . 52 HIS CA . 16198 1 517 . 1 1 52 52 HIS CB C 13 30.204 0.1 . 1 . . . . 52 HIS CB . 16198 1 518 . 1 1 52 52 HIS N N 15 121.514 0.2 . 1 . . . . 52 HIS N . 16198 1 519 . 1 1 53 53 VAL H H 1 8.078 0.02 . 1 . . . . 53 VAL H . 16198 1 520 . 1 1 53 53 VAL HA H 1 4.070 0.02 . 1 . . . . 53 VAL HA . 16198 1 521 . 1 1 53 53 VAL HG11 H 1 0.851 0.02 . 2 . . . . 53 VAL QG1 . 16198 1 522 . 1 1 53 53 VAL HG12 H 1 0.851 0.02 . 2 . . . . 53 VAL QG1 . 16198 1 523 . 1 1 53 53 VAL HG13 H 1 0.851 0.02 . 2 . . . . 53 VAL QG1 . 16198 1 524 . 1 1 53 53 VAL HG21 H 1 0.815 0.02 . 2 . . . . 53 VAL QG2 . 16198 1 525 . 1 1 53 53 VAL HG22 H 1 0.815 0.02 . 2 . . . . 53 VAL QG2 . 16198 1 526 . 1 1 53 53 VAL HG23 H 1 0.815 0.02 . 2 . . . . 53 VAL QG2 . 16198 1 527 . 1 1 53 53 VAL C C 13 175.350 0.1 . 1 . . . . 53 VAL C . 16198 1 528 . 1 1 53 53 VAL CA C 13 62.420 0.1 . 1 . . . . 53 VAL CA . 16198 1 529 . 1 1 53 53 VAL CB C 13 33.208 0.1 . 1 . . . . 53 VAL CB . 16198 1 530 . 1 1 53 53 VAL CG1 C 13 21.011 0.1 . 1 . . . . 53 VAL CG1 . 16198 1 531 . 1 1 53 53 VAL CG2 C 13 20.242 0.1 . 1 . . . . 53 VAL CG2 . 16198 1 532 . 1 1 53 53 VAL N N 15 121.899 0.2 . 1 . . . . 53 VAL N . 16198 1 533 . 1 1 54 54 ASP H H 1 8.505 0.02 . 1 . . . . 54 ASP H . 16198 1 534 . 1 1 54 54 ASP HA H 1 4.633 0.02 . 1 . . . . 54 ASP HA . 16198 1 535 . 1 1 54 54 ASP HB2 H 1 2.676 0.02 . 2 . . . . 54 ASP HB2 . 16198 1 536 . 1 1 54 54 ASP HB3 H 1 2.643 0.02 . 2 . . . . 54 ASP HB3 . 16198 1 537 . 1 1 54 54 ASP C C 13 176.652 0.1 . 1 . . . . 54 ASP C . 16198 1 538 . 1 1 54 54 ASP CA C 13 54.407 0.1 . 1 . . . . 54 ASP CA . 16198 1 539 . 1 1 54 54 ASP CB C 13 41.419 0.1 . 1 . . . . 54 ASP CB . 16198 1 540 . 1 1 54 54 ASP N N 15 124.470 0.2 . 1 . . . . 54 ASP N . 16198 1 541 . 1 1 55 55 THR H H 1 8.139 0.02 . 1 . . . . 55 THR H . 16198 1 542 . 1 1 55 55 THR HA H 1 4.197 0.02 . 1 . . . . 55 THR HA . 16198 1 543 . 1 1 55 55 THR HB H 1 4.179 0.02 . 1 . . . . 55 THR HB . 16198 1 544 . 1 1 55 55 THR HG21 H 1 1.148 0.02 . 1 . . . . 55 THR QG2 . 16198 1 545 . 1 1 55 55 THR HG22 H 1 1.148 0.02 . 1 . . . . 55 THR QG2 . 16198 1 546 . 1 1 55 55 THR HG23 H 1 1.148 0.02 . 1 . . . . 55 THR QG2 . 16198 1 547 . 1 1 55 55 THR C C 13 174.748 0.1 . 1 . . . . 55 THR C . 16198 1 548 . 1 1 55 55 THR CA C 13 62.913 0.1 . 1 . . . . 55 THR CA . 16198 1 549 . 1 1 55 55 THR CB C 13 69.604 0.1 . 1 . . . . 55 THR CB . 16198 1 550 . 1 1 55 55 THR CG2 C 13 22.259 0.1 . 1 . . . . 55 THR CG2 . 16198 1 551 . 1 1 55 55 THR N N 15 115.346 0.2 . 1 . . . . 55 THR N . 16198 1 552 . 1 1 56 56 ALA H H 1 8.275 0.02 . 1 . . . . 56 ALA H . 16198 1 553 . 1 1 56 56 ALA HA H 1 4.205 0.02 . 1 . . . . 56 ALA HA . 16198 1 554 . 1 1 56 56 ALA HB1 H 1 1.330 0.02 . 1 . . . . 56 ALA QB . 16198 1 555 . 1 1 56 56 ALA HB2 H 1 1.330 0.02 . 1 . . . . 56 ALA QB . 16198 1 556 . 1 1 56 56 ALA HB3 H 1 1.330 0.02 . 1 . . . . 56 ALA QB . 16198 1 557 . 1 1 56 56 ALA C C 13 177.819 0.1 . 1 . . . . 56 ALA C . 16198 1 558 . 1 1 56 56 ALA CA C 13 53.541 0.1 . 1 . . . . 56 ALA CA . 16198 1 559 . 1 1 56 56 ALA CB C 13 19.331 0.1 . 1 . . . . 56 ALA CB . 16198 1 560 . 1 1 56 56 ALA N N 15 125.570 0.2 . 1 . . . . 56 ALA N . 16198 1 561 . 1 1 57 57 ARG H H 1 7.976 0.02 . 1 . . . . 57 ARG H . 16198 1 562 . 1 1 57 57 ARG HA H 1 4.211 0.02 . 1 . . . . 57 ARG HA . 16198 1 563 . 1 1 57 57 ARG HB2 H 1 1.746 0.02 . 2 . . . . 57 ARG HB2 . 16198 1 564 . 1 1 57 57 ARG HB3 H 1 1.691 0.02 . 2 . . . . 57 ARG HB3 . 16198 1 565 . 1 1 57 57 ARG HD2 H 1 3.126 0.02 . 2 . . . . 57 ARG HD2 . 16198 1 566 . 1 1 57 57 ARG HD3 H 1 3.093 0.02 . 2 . . . . 57 ARG HD3 . 16198 1 567 . 1 1 57 57 ARG HG2 H 1 1.598 0.02 . 2 . . . . 57 ARG HG2 . 16198 1 568 . 1 1 57 57 ARG HG3 H 1 1.581 0.02 . 2 . . . . 57 ARG HG3 . 16198 1 569 . 1 1 57 57 ARG C C 13 175.968 0.1 . 1 . . . . 57 ARG C . 16198 1 570 . 1 1 57 57 ARG CA C 13 56.338 0.1 . 1 . . . . 57 ARG CA . 16198 1 571 . 1 1 57 57 ARG CB C 13 30.787 0.1 . 1 . . . . 57 ARG CB . 16198 1 572 . 1 1 57 57 ARG CD C 13 43.851 0.1 . 1 . . . . 57 ARG CD . 16198 1 573 . 1 1 57 57 ARG CG C 13 27.981 0.1 . 1 . . . . 57 ARG CG . 16198 1 574 . 1 1 57 57 ARG N N 15 118.509 0.2 . 1 . . . . 57 ARG N . 16198 1 575 . 1 1 58 58 LEU H H 1 8.012 0.02 . 1 . . . . 58 LEU H . 16198 1 576 . 1 1 58 58 LEU HA H 1 4.192 0.02 . 1 . . . . 58 LEU HA . 16198 1 577 . 1 1 58 58 LEU HB2 H 1 1.471 0.02 . 2 . . . . 58 LEU HB2 . 16198 1 578 . 1 1 58 58 LEU HB3 H 1 1.435 0.02 . 2 . . . . 58 LEU HB3 . 16198 1 579 . 1 1 58 58 LEU HD11 H 1 0.821 0.02 . 2 . . . . 58 LEU QD1 . 16198 1 580 . 1 1 58 58 LEU HD12 H 1 0.821 0.02 . 2 . . . . 58 LEU QD1 . 16198 1 581 . 1 1 58 58 LEU HD13 H 1 0.821 0.02 . 2 . . . . 58 LEU QD1 . 16198 1 582 . 1 1 58 58 LEU HD21 H 1 0.760 0.02 . 2 . . . . 58 LEU QD2 . 16198 1 583 . 1 1 58 58 LEU HD22 H 1 0.760 0.02 . 2 . . . . 58 LEU QD2 . 16198 1 584 . 1 1 58 58 LEU HD23 H 1 0.760 0.02 . 2 . . . . 58 LEU QD2 . 16198 1 585 . 1 1 58 58 LEU HG H 1 1.410 0.02 . 1 . . . . 58 LEU HG . 16198 1 586 . 1 1 58 58 LEU C C 13 176.536 0.1 . 1 . . . . 58 LEU C . 16198 1 587 . 1 1 58 58 LEU CA C 13 55.526 0.1 . 1 . . . . 58 LEU CA . 16198 1 588 . 1 1 58 58 LEU CB C 13 42.618 0.1 . 1 . . . . 58 LEU CB . 16198 1 589 . 1 1 58 58 LEU CD1 C 13 25.356 0.1 . 1 . . . . 58 LEU CD1 . 16198 1 590 . 1 1 58 58 LEU CD2 C 13 23.801 0.1 . 1 . . . . 58 LEU CD2 . 16198 1 591 . 1 1 58 58 LEU CG C 13 27.339 0.1 . 1 . . . . 58 LEU CG . 16198 1 592 . 1 1 58 58 LEU N N 15 121.321 0.2 . 1 . . . . 58 LEU N . 16198 1 593 . 1 1 59 59 HIS H H 1 8.219 0.02 . 1 . . . . 59 HIS H . 16198 1 594 . 1 1 59 59 HIS CA C 13 54.000 0.1 . 1 . . . . 59 HIS CA . 16198 1 595 . 1 1 59 59 HIS CB C 13 29.900 0.1 . 1 . . . . 59 HIS CB . 16198 1 596 . 1 1 59 59 HIS N N 15 119.793 0.2 . 1 . . . . 59 HIS N . 16198 1 597 . 1 1 60 60 PRO HA H 1 4.323 0.02 . 1 . . . . 60 PRO HA . 16198 1 598 . 1 1 60 60 PRO HB2 H 1 2.246 0.02 . 2 . . . . 60 PRO HB2 . 16198 1 599 . 1 1 60 60 PRO HB3 H 1 2.232 0.02 . 2 . . . . 60 PRO HB3 . 16198 1 600 . 1 1 60 60 PRO HD2 H 1 3.565 0.02 . 2 . . . . 60 PRO HD2 . 16198 1 601 . 1 1 60 60 PRO HD3 H 1 3.514 0.02 . 2 . . . . 60 PRO HD3 . 16198 1 602 . 1 1 60 60 PRO HG2 H 1 1.898 0.02 . 2 . . . . 60 PRO HG2 . 16198 1 603 . 1 1 60 60 PRO HG3 H 1 1.870 0.02 . 2 . . . . 60 PRO HG3 . 16198 1 604 . 1 1 60 60 PRO C C 13 176.924 0.1 . 1 . . . . 60 PRO C . 16198 1 605 . 1 1 60 60 PRO CA C 13 63.804 0.1 . 1 . . . . 60 PRO CA . 16198 1 606 . 1 1 60 60 PRO CB C 13 32.504 0.1 . 1 . . . . 60 PRO CB . 16198 1 607 . 1 1 60 60 PRO CD C 13 50.818 0.1 . 1 . . . . 60 PRO CD . 16198 1 608 . 1 1 60 60 PRO CG C 13 27.371 0.1 . 1 . . . . 60 PRO CG . 16198 1 609 . 1 1 61 61 LEU H H 1 8.563 0.02 . 1 . . . . 61 LEU H . 16198 1 610 . 1 1 61 61 LEU HA H 1 4.332 0.02 . 1 . . . . 61 LEU HA . 16198 1 611 . 1 1 61 61 LEU HB2 H 1 1.801 0.02 . 2 . . . . 61 LEU HB2 . 16198 1 612 . 1 1 61 61 LEU HB3 H 1 1.623 0.02 . 2 . . . . 61 LEU HB3 . 16198 1 613 . 1 1 61 61 LEU HD11 H 1 0.855 0.02 . 2 . . . . 61 LEU QD1 . 16198 1 614 . 1 1 61 61 LEU HD12 H 1 0.855 0.02 . 2 . . . . 61 LEU QD1 . 16198 1 615 . 1 1 61 61 LEU HD13 H 1 0.855 0.02 . 2 . . . . 61 LEU QD1 . 16198 1 616 . 1 1 61 61 LEU HD21 H 1 0.813 0.02 . 2 . . . . 61 LEU QD2 . 16198 1 617 . 1 1 61 61 LEU HD22 H 1 0.813 0.02 . 2 . . . . 61 LEU QD2 . 16198 1 618 . 1 1 61 61 LEU HD23 H 1 0.813 0.02 . 2 . . . . 61 LEU QD2 . 16198 1 619 . 1 1 61 61 LEU HG H 1 1.593 0.02 . 1 . . . . 61 LEU HG . 16198 1 620 . 1 1 61 61 LEU C C 13 177.060 0.1 . 1 . . . . 61 LEU C . 16198 1 621 . 1 1 61 61 LEU CA C 13 55.419 0.1 . 1 . . . . 61 LEU CA . 16198 1 622 . 1 1 61 61 LEU CB C 13 42.430 0.1 . 1 . . . . 61 LEU CB . 16198 1 623 . 1 1 61 61 LEU CD1 C 13 25.466 0.1 . 1 . . . . 61 LEU CD1 . 16198 1 624 . 1 1 61 61 LEU CD2 C 13 23.852 0.1 . 1 . . . . 61 LEU CD2 . 16198 1 625 . 1 1 61 61 LEU CG C 13 27.512 0.1 . 1 . . . . 61 LEU CG . 16198 1 626 . 1 1 61 61 LEU N N 15 121.820 0.2 . 1 . . . . 61 LEU N . 16198 1 627 . 1 1 62 62 ALA H H 1 8.192 0.02 . 1 . . . . 62 ALA H . 16198 1 628 . 1 1 62 62 ALA HA H 1 4.239 0.02 . 1 . . . . 62 ALA HA . 16198 1 629 . 1 1 62 62 ALA HB1 H 1 1.340 0.02 . 1 . . . . 62 ALA QB . 16198 1 630 . 1 1 62 62 ALA HB2 H 1 1.340 0.02 . 1 . . . . 62 ALA QB . 16198 1 631 . 1 1 62 62 ALA HB3 H 1 1.340 0.02 . 1 . . . . 62 ALA QB . 16198 1 632 . 1 1 62 62 ALA C C 13 177.914 0.1 . 1 . . . . 62 ALA C . 16198 1 633 . 1 1 62 62 ALA CA C 13 52.928 0.1 . 1 . . . . 62 ALA CA . 16198 1 634 . 1 1 62 62 ALA CB C 13 19.622 0.1 . 1 . . . . 62 ALA CB . 16198 1 635 . 1 1 62 62 ALA N N 15 124.498 0.2 . 1 . . . . 62 ALA N . 16198 1 636 . 1 1 63 63 GLY H H 1 8.329 0.02 . 1 . . . . 63 GLY H . 16198 1 637 . 1 1 63 63 GLY HA2 H 1 3.912 0.02 . 2 . . . . 63 GLY HA2 . 16198 1 638 . 1 1 63 63 GLY HA3 H 1 3.851 0.02 . 2 . . . . 63 GLY HA3 . 16198 1 639 . 1 1 63 63 GLY C C 13 173.554 0.1 . 1 . . . . 63 GLY C . 16198 1 640 . 1 1 63 63 GLY CA C 13 45.607 0.1 . 1 . . . . 63 GLY CA . 16198 1 641 . 1 1 63 63 GLY N N 15 107.901 0.2 . 1 . . . . 63 GLY N . 16198 1 642 . 1 1 64 64 LEU H H 1 8.015 0.02 . 1 . . . . 64 LEU H . 16198 1 643 . 1 1 64 64 LEU HA H 1 4.289 0.02 . 1 . . . . 64 LEU HA . 16198 1 644 . 1 1 64 64 LEU HB2 H 1 1.575 0.02 . 2 . . . . 64 LEU HB2 . 16198 1 645 . 1 1 64 64 LEU HB3 H 1 1.535 0.02 . 2 . . . . 64 LEU HB3 . 16198 1 646 . 1 1 64 64 LEU HD11 H 1 0.834 0.02 . 2 . . . . 64 LEU QD1 . 16198 1 647 . 1 1 64 64 LEU HD12 H 1 0.834 0.02 . 2 . . . . 64 LEU QD1 . 16198 1 648 . 1 1 64 64 LEU HD13 H 1 0.834 0.02 . 2 . . . . 64 LEU QD1 . 16198 1 649 . 1 1 64 64 LEU HD21 H 1 0.794 0.02 . 2 . . . . 64 LEU QD2 . 16198 1 650 . 1 1 64 64 LEU HD22 H 1 0.794 0.02 . 2 . . . . 64 LEU QD2 . 16198 1 651 . 1 1 64 64 LEU HD23 H 1 0.794 0.02 . 2 . . . . 64 LEU QD2 . 16198 1 652 . 1 1 64 64 LEU HG H 1 1.508 0.02 . 1 . . . . 64 LEU HG . 16198 1 653 . 1 1 64 64 LEU C C 13 177.014 0.1 . 1 . . . . 64 LEU C . 16198 1 654 . 1 1 64 64 LEU CA C 13 55.623 0.1 . 1 . . . . 64 LEU CA . 16198 1 655 . 1 1 64 64 LEU CB C 13 42.535 0.1 . 1 . . . . 64 LEU CB . 16198 1 656 . 1 1 64 64 LEU CD1 C 13 25.524 0.1 . 1 . . . . 64 LEU CD1 . 16198 1 657 . 1 1 64 64 LEU CD2 C 13 23.955 0.1 . 1 . . . . 64 LEU CD2 . 16198 1 658 . 1 1 64 64 LEU CG C 13 27.464 0.1 . 1 . . . . 64 LEU CG . 16198 1 659 . 1 1 64 64 LEU N N 15 120.914 0.2 . 1 . . . . 64 LEU N . 16198 1 660 . 1 1 65 65 ASP H H 1 8.356 0.02 . 1 . . . . 65 ASP H . 16198 1 661 . 1 1 65 65 ASP HA H 1 4.604 0.02 . 1 . . . . 65 ASP HA . 16198 1 662 . 1 1 65 65 ASP HB2 H 1 2.599 0.02 . 2 . . . . 65 ASP HB2 . 16198 1 663 . 1 1 65 65 ASP HB3 H 1 2.565 0.02 . 2 . . . . 65 ASP HB3 . 16198 1 664 . 1 1 65 65 ASP C C 13 176.022 0.1 . 1 . . . . 65 ASP C . 16198 1 665 . 1 1 65 65 ASP CA C 13 54.521 0.1 . 1 . . . . 65 ASP CA . 16198 1 666 . 1 1 65 65 ASP CB C 13 41.319 0.1 . 1 . . . . 65 ASP CB . 16198 1 667 . 1 1 65 65 ASP N N 15 120.595 0.2 . 1 . . . . 65 ASP N . 16198 1 668 . 1 1 66 66 LYS H H 1 8.260 0.02 . 1 . . . . 66 LYS H . 16198 1 669 . 1 1 66 66 LYS HA H 1 4.209 0.02 . 1 . . . . 66 LYS HA . 16198 1 670 . 1 1 66 66 LYS HB2 H 1 1.803 0.02 . 2 . . . . 66 LYS HB2 . 16198 1 671 . 1 1 66 66 LYS HB3 H 1 1.778 0.02 . 2 . . . . 66 LYS HB3 . 16198 1 672 . 1 1 66 66 LYS HD2 H 1 1.658 0.02 . 2 . . . . 66 LYS HD2 . 16198 1 673 . 1 1 66 66 LYS HD3 H 1 1.623 0.02 . 2 . . . . 66 LYS HD3 . 16198 1 674 . 1 1 66 66 LYS HE2 H 1 2.903 0.02 . 2 . . . . 66 LYS HE2 . 16198 1 675 . 1 1 66 66 LYS HE3 H 1 2.888 0.02 . 2 . . . . 66 LYS HE3 . 16198 1 676 . 1 1 66 66 LYS HG2 H 1 1.387 0.02 . 2 . . . . 66 LYS HG2 . 16198 1 677 . 1 1 66 66 LYS HG3 H 1 1.362 0.02 . 2 . . . . 66 LYS HG3 . 16198 1 678 . 1 1 66 66 LYS C C 13 176.872 0.1 . 1 . . . . 66 LYS C . 16198 1 679 . 1 1 66 66 LYS CA C 13 56.220 0.1 . 1 . . . . 66 LYS CA . 16198 1 680 . 1 1 66 66 LYS CB C 13 33.222 0.1 . 1 . . . . 66 LYS CB . 16198 1 681 . 1 1 66 66 LYS CD C 13 29.134 0.1 . 1 . . . . 66 LYS CD . 16198 1 682 . 1 1 66 66 LYS CE C 13 42.553 0.1 . 1 . . . . 66 LYS CE . 16198 1 683 . 1 1 66 66 LYS CG C 13 24.923 0.1 . 1 . . . . 66 LYS CG . 16198 1 684 . 1 1 66 66 LYS N N 15 120.867 0.2 . 1 . . . . 66 LYS N . 16198 1 685 . 1 1 67 67 GLY H H 1 8.429 0.02 . 1 . . . . 67 GLY H . 16198 1 686 . 1 1 67 67 GLY HA2 H 1 3.941 0.02 . 2 . . . . 67 GLY HA2 . 16198 1 687 . 1 1 67 67 GLY HA3 H 1 3.904 0.02 . 2 . . . . 67 GLY HA3 . 16198 1 688 . 1 1 67 67 GLY C C 13 174.058 0.1 . 1 . . . . 67 GLY C . 16198 1 689 . 1 1 67 67 GLY CA C 13 45.607 0.1 . 1 . . . . 67 GLY CA . 16198 1 690 . 1 1 67 67 GLY N N 15 109.489 0.2 . 1 . . . . 67 GLY N . 16198 1 691 . 1 1 68 68 VAL H H 1 7.879 0.02 . 1 . . . . 68 VAL H . 16198 1 692 . 1 1 68 68 VAL HA H 1 4.037 0.02 . 1 . . . . 68 VAL HA . 16198 1 693 . 1 1 68 68 VAL HB H 1 2.006 0.02 . 1 . . . . 68 VAL HB . 16198 1 694 . 1 1 68 68 VAL HG11 H 1 0.822 0.02 . 2 . . . . 68 VAL QG1 . 16198 1 695 . 1 1 68 68 VAL HG12 H 1 0.822 0.02 . 2 . . . . 68 VAL QG1 . 16198 1 696 . 1 1 68 68 VAL HG13 H 1 0.822 0.02 . 2 . . . . 68 VAL QG1 . 16198 1 697 . 1 1 68 68 VAL HG21 H 1 0.806 0.02 . 2 . . . . 68 VAL QG2 . 16198 1 698 . 1 1 68 68 VAL HG22 H 1 0.806 0.02 . 2 . . . . 68 VAL QG2 . 16198 1 699 . 1 1 68 68 VAL HG23 H 1 0.806 0.02 . 2 . . . . 68 VAL QG2 . 16198 1 700 . 1 1 68 68 VAL C C 13 175.852 0.1 . 1 . . . . 68 VAL C . 16198 1 701 . 1 1 68 68 VAL CA C 13 62.647 0.1 . 1 . . . . 68 VAL CA . 16198 1 702 . 1 1 68 68 VAL CB C 13 32.955 0.1 . 1 . . . . 68 VAL CB . 16198 1 703 . 1 1 68 68 VAL CG1 C 13 20.704 0.1 . 1 . . . . 68 VAL CG1 . 16198 1 704 . 1 1 68 68 VAL CG2 C 13 20.223 0.1 . 1 . . . . 68 VAL CG2 . 16198 1 705 . 1 1 68 68 VAL N N 15 118.513 0.2 . 1 . . . . 68 VAL N . 16198 1 706 . 1 1 69 69 GLU H H 1 8.495 0.02 . 1 . . . . 69 GLU H . 16198 1 707 . 1 1 69 69 GLU HA H 1 4.207 0.02 . 1 . . . . 69 GLU HA . 16198 1 708 . 1 1 69 69 GLU HB2 H 1 1.947 0.02 . 2 . . . . 69 GLU HB2 . 16198 1 709 . 1 1 69 69 GLU HB3 H 1 1.894 0.02 . 2 . . . . 69 GLU HB3 . 16198 1 710 . 1 1 69 69 GLU HG2 H 1 2.094 0.02 . 2 . . . . 69 GLU HG2 . 16198 1 711 . 1 1 69 69 GLU HG3 H 1 2.062 0.02 . 2 . . . . 69 GLU HG3 . 16198 1 712 . 1 1 69 69 GLU C C 13 175.810 0.1 . 1 . . . . 69 GLU C . 16198 1 713 . 1 1 69 69 GLU CA C 13 57.026 0.1 . 1 . . . . 69 GLU CA . 16198 1 714 . 1 1 69 69 GLU CB C 13 30.521 0.1 . 1 . . . . 69 GLU CB . 16198 1 715 . 1 1 69 69 GLU CG C 13 36.640 0.1 . 1 . . . . 69 GLU CG . 16198 1 716 . 1 1 69 69 GLU N N 15 123.670 0.2 . 1 . . . . 69 GLU N . 16198 1 717 . 1 1 70 70 TYR H H 1 8.096 0.02 . 1 . . . . 70 TYR H . 16198 1 718 . 1 1 70 70 TYR HA H 1 4.505 0.02 . 1 . . . . 70 TYR HA . 16198 1 719 . 1 1 70 70 TYR HB2 H 1 2.988 0.02 . 2 . . . . 70 TYR HB2 . 16198 1 720 . 1 1 70 70 TYR HB3 H 1 2.894 0.02 . 2 . . . . 70 TYR HB3 . 16198 1 721 . 1 1 70 70 TYR HD1 H 1 6.954 0.02 . 1 . . . . 70 TYR HD1 . 16198 1 722 . 1 1 70 70 TYR HD2 H 1 6.954 0.02 . 1 . . . . 70 TYR HD2 . 16198 1 723 . 1 1 70 70 TYR C C 13 175.233 0.1 . 1 . . . . 70 TYR C . 16198 1 724 . 1 1 70 70 TYR CA C 13 58.207 0.1 . 1 . . . . 70 TYR CA . 16198 1 725 . 1 1 70 70 TYR CB C 13 39.005 0.1 . 1 . . . . 70 TYR CB . 16198 1 726 . 1 1 70 70 TYR N N 15 120.788 0.2 . 1 . . . . 70 TYR N . 16198 1 727 . 1 1 71 71 LEU H H 1 8.012 0.02 . 1 . . . . 71 LEU H . 16198 1 728 . 1 1 71 71 LEU HA H 1 4.276 0.02 . 1 . . . . 71 LEU HA . 16198 1 729 . 1 1 71 71 LEU HB2 H 1 1.715 0.02 . 2 . . . . 71 LEU HB2 . 16198 1 730 . 1 1 71 71 LEU HB3 H 1 1.657 0.02 . 2 . . . . 71 LEU HB3 . 16198 1 731 . 1 1 71 71 LEU HD11 H 1 0.814 0.02 . 2 . . . . 71 LEU QD1 . 16198 1 732 . 1 1 71 71 LEU HD12 H 1 0.814 0.02 . 2 . . . . 71 LEU QD1 . 16198 1 733 . 1 1 71 71 LEU HD13 H 1 0.814 0.02 . 2 . . . . 71 LEU QD1 . 16198 1 734 . 1 1 71 71 LEU HD21 H 1 0.781 0.02 . 2 . . . . 71 LEU QD2 . 16198 1 735 . 1 1 71 71 LEU HD22 H 1 0.781 0.02 . 2 . . . . 71 LEU QD2 . 16198 1 736 . 1 1 71 71 LEU HD23 H 1 0.781 0.02 . 2 . . . . 71 LEU QD2 . 16198 1 737 . 1 1 71 71 LEU HG H 1 1.648 0.02 . 1 . . . . 71 LEU HG . 16198 1 738 . 1 1 71 71 LEU C C 13 176.633 0.1 . 1 . . . . 71 LEU C . 16198 1 739 . 1 1 71 71 LEU CA C 13 55.445 0.1 . 1 . . . . 71 LEU CA . 16198 1 740 . 1 1 71 71 LEU CB C 13 43.128 0.1 . 1 . . . . 71 LEU CB . 16198 1 741 . 1 1 71 71 LEU CD1 C 13 25.193 0.1 . 1 . . . . 71 LEU CD1 . 16198 1 742 . 1 1 71 71 LEU CD2 C 13 24.113 0.1 . 1 . . . . 71 LEU CD2 . 16198 1 743 . 1 1 71 71 LEU CG C 13 27.311 0.1 . 1 . . . . 71 LEU CG . 16198 1 744 . 1 1 71 71 LEU N N 15 123.730 0.2 . 1 . . . . 71 LEU N . 16198 1 745 . 1 1 72 72 ASP H H 1 8.229 0.02 . 1 . . . . 72 ASP H . 16198 1 746 . 1 1 72 72 ASP HA H 1 4.516 0.02 . 1 . . . . 72 ASP HA . 16198 1 747 . 1 1 72 72 ASP HB2 H 1 2.635 0.02 . 2 . . . . 72 ASP HB2 . 16198 1 748 . 1 1 72 72 ASP HB3 H 1 2.565 0.02 . 2 . . . . 72 ASP HB3 . 16198 1 749 . 1 1 72 72 ASP C C 13 175.891 0.1 . 1 . . . . 72 ASP C . 16198 1 750 . 1 1 72 72 ASP CA C 13 54.212 0.1 . 1 . . . . 72 ASP CA . 16198 1 751 . 1 1 72 72 ASP CB C 13 41.318 0.1 . 1 . . . . 72 ASP CB . 16198 1 752 . 1 1 72 72 ASP N N 15 121.001 0.2 . 1 . . . . 72 ASP N . 16198 1 753 . 1 1 73 73 LEU H H 1 8.056 0.02 . 1 . . . . 73 LEU H . 16198 1 754 . 1 1 73 73 LEU HA H 1 4.262 0.02 . 1 . . . . 73 LEU HA . 16198 1 755 . 1 1 73 73 LEU HB2 H 1 1.574 0.02 . 2 . . . . 73 LEU HB2 . 16198 1 756 . 1 1 73 73 LEU HB3 H 1 1.529 0.02 . 2 . . . . 73 LEU HB3 . 16198 1 757 . 1 1 73 73 LEU HD21 H 1 0.812 0.02 . 1 . . . . 73 LEU QD2 . 16198 1 758 . 1 1 73 73 LEU HD22 H 1 0.812 0.02 . 1 . . . . 73 LEU QD2 . 16198 1 759 . 1 1 73 73 LEU HD23 H 1 0.812 0.02 . 1 . . . . 73 LEU QD2 . 16198 1 760 . 1 1 73 73 LEU HG H 1 1.500 0.02 . 1 . . . . 73 LEU HG . 16198 1 761 . 1 1 73 73 LEU C C 13 177.436 0.1 . 1 . . . . 73 LEU C . 16198 1 762 . 1 1 73 73 LEU CA C 13 55.737 0.1 . 1 . . . . 73 LEU CA . 16198 1 763 . 1 1 73 73 LEU CB C 13 42.816 0.1 . 1 . . . . 73 LEU CB . 16198 1 764 . 1 1 73 73 LEU CD1 C 13 25.575 0.1 . 1 . . . . 73 LEU CD1 . 16198 1 765 . 1 1 73 73 LEU CD2 C 13 23.935 0.1 . 1 . . . . 73 LEU CD2 . 16198 1 766 . 1 1 73 73 LEU CG C 13 27.455 0.1 . 1 . . . . 73 LEU CG . 16198 1 767 . 1 1 73 73 LEU N N 15 122.407 0.2 . 1 . . . . 73 LEU N . 16198 1 768 . 1 1 74 74 GLU H H 1 8.371 0.02 . 1 . . . . 74 GLU H . 16198 1 769 . 1 1 74 74 GLU HA H 1 4.195 0.02 . 1 . . . . 74 GLU HA . 16198 1 770 . 1 1 74 74 GLU HB2 H 1 1.933 0.02 . 2 . . . . 74 GLU HB2 . 16198 1 771 . 1 1 74 74 GLU HB3 H 1 1.898 0.02 . 2 . . . . 74 GLU HB3 . 16198 1 772 . 1 1 74 74 GLU HG2 H 1 2.288 0.02 . 2 . . . . 74 GLU HG2 . 16198 1 773 . 1 1 74 74 GLU HG3 H 1 2.256 0.02 . 2 . . . . 74 GLU HG3 . 16198 1 774 . 1 1 74 74 GLU C C 13 176.827 0.1 . 1 . . . . 74 GLU C . 16198 1 775 . 1 1 74 74 GLU CA C 13 57.322 0.1 . 1 . . . . 74 GLU CA . 16198 1 776 . 1 1 74 74 GLU CB C 13 30.332 0.1 . 1 . . . . 74 GLU CB . 16198 1 777 . 1 1 74 74 GLU CG C 13 36.911 0.1 . 1 . . . . 74 GLU CG . 16198 1 778 . 1 1 74 74 GLU N N 15 121.129 0.2 . 1 . . . . 74 GLU N . 16198 1 779 . 1 1 75 75 GLU H H 1 8.342 0.02 . 1 . . . . 75 GLU H . 16198 1 780 . 1 1 75 75 GLU HA H 1 4.405 0.02 . 1 . . . . 75 GLU HA . 16198 1 781 . 1 1 75 75 GLU HB2 H 1 1.940 0.02 . 2 . . . . 75 GLU HB2 . 16198 1 782 . 1 1 75 75 GLU HB3 H 1 1.901 0.02 . 2 . . . . 75 GLU HB3 . 16198 1 783 . 1 1 75 75 GLU HG2 H 1 2.284 0.02 . 2 . . . . 75 GLU HG2 . 16198 1 784 . 1 1 75 75 GLU HG3 H 1 2.256 0.02 . 2 . . . . 75 GLU HG3 . 16198 1 785 . 1 1 75 75 GLU C C 13 176.949 0.1 . 1 . . . . 75 GLU C . 16198 1 786 . 1 1 75 75 GLU CA C 13 57.439 0.1 . 1 . . . . 75 GLU CA . 16198 1 787 . 1 1 75 75 GLU CB C 13 30.471 0.1 . 1 . . . . 75 GLU CB . 16198 1 788 . 1 1 75 75 GLU CG C 13 36.962 0.1 . 1 . . . . 75 GLU CG . 16198 1 789 . 1 1 75 75 GLU N N 15 121.401 0.2 . 1 . . . . 75 GLU N . 16198 1 790 . 1 1 76 76 GLU H H 1 8.425 0.02 . 1 . . . . 76 GLU H . 16198 1 791 . 1 1 76 76 GLU HA H 1 4.107 0.02 . 1 . . . . 76 GLU HA . 16198 1 792 . 1 1 76 76 GLU HB2 H 1 1.952 0.02 . 2 . . . . 76 GLU HB2 . 16198 1 793 . 1 1 76 76 GLU HB3 H 1 1.892 0.02 . 2 . . . . 76 GLU HB3 . 16198 1 794 . 1 1 76 76 GLU HG2 H 1 2.246 0.02 . 2 . . . . 76 GLU HG2 . 16198 1 795 . 1 1 76 76 GLU HG3 H 1 2.179 0.02 . 2 . . . . 76 GLU HG3 . 16198 1 796 . 1 1 76 76 GLU C C 13 176.812 0.1 . 1 . . . . 76 GLU C . 16198 1 797 . 1 1 76 76 GLU CA C 13 57.509 0.1 . 1 . . . . 76 GLU CA . 16198 1 798 . 1 1 76 76 GLU CB C 13 30.330 0.1 . 1 . . . . 76 GLU CB . 16198 1 799 . 1 1 76 76 GLU N N 15 121.473 0.2 . 1 . . . . 76 GLU N . 16198 1 800 . 1 1 77 77 GLN H H 1 8.303 0.02 . 1 . . . . 77 GLN H . 16198 1 801 . 1 1 77 77 GLN HA H 1 4.211 0.02 . 1 . . . . 77 GLN HA . 16198 1 802 . 1 1 77 77 GLN HB2 H 1 2.053 0.02 . 2 . . . . 77 GLN HB2 . 16198 1 803 . 1 1 77 77 GLN HB3 H 1 1.989 0.02 . 2 . . . . 77 GLN HB3 . 16198 1 804 . 1 1 77 77 GLN HG2 H 1 2.338 0.02 . 2 . . . . 77 GLN HG2 . 16198 1 805 . 1 1 77 77 GLN HG3 H 1 2.279 0.02 . 2 . . . . 77 GLN HG3 . 16198 1 806 . 1 1 77 77 GLN C C 13 176.332 0.1 . 1 . . . . 77 GLN C . 16198 1 807 . 1 1 77 77 GLN CA C 13 56.336 0.1 . 1 . . . . 77 GLN CA . 16198 1 808 . 1 1 77 77 GLN CB C 13 29.421 0.1 . 1 . . . . 77 GLN CB . 16198 1 809 . 1 1 77 77 GLN CG C 13 34.346 0.1 . 1 . . . . 77 GLN CG . 16198 1 810 . 1 1 77 77 GLN N N 15 120.701 0.2 . 1 . . . . 77 GLN N . 16198 1 811 . 1 1 78 78 LEU H H 1 8.208 0.02 . 1 . . . . 78 LEU H . 16198 1 812 . 1 1 78 78 LEU HA H 1 4.292 0.02 . 1 . . . . 78 LEU HA . 16198 1 813 . 1 1 78 78 LEU HB2 H 1 1.580 0.02 . 2 . . . . 78 LEU HB2 . 16198 1 814 . 1 1 78 78 LEU HB3 H 1 1.386 0.02 . 2 . . . . 78 LEU HB3 . 16198 1 815 . 1 1 78 78 LEU HD11 H 1 0.836 0.02 . 2 . . . . 78 LEU QD1 . 16198 1 816 . 1 1 78 78 LEU HD12 H 1 0.836 0.02 . 2 . . . . 78 LEU QD1 . 16198 1 817 . 1 1 78 78 LEU HD13 H 1 0.836 0.02 . 2 . . . . 78 LEU QD1 . 16198 1 818 . 1 1 78 78 LEU HD21 H 1 0.799 0.02 . 2 . . . . 78 LEU QD2 . 16198 1 819 . 1 1 78 78 LEU HD22 H 1 0.799 0.02 . 2 . . . . 78 LEU QD2 . 16198 1 820 . 1 1 78 78 LEU HD23 H 1 0.799 0.02 . 2 . . . . 78 LEU QD2 . 16198 1 821 . 1 1 78 78 LEU HG H 1 1.346 0.02 . 1 . . . . 78 LEU HG . 16198 1 822 . 1 1 78 78 LEU C C 13 177.731 0.1 . 1 . . . . 78 LEU C . 16198 1 823 . 1 1 78 78 LEU CA C 13 56.108 0.1 . 1 . . . . 78 LEU CA . 16198 1 824 . 1 1 78 78 LEU CB C 13 42.387 0.1 . 1 . . . . 78 LEU CB . 16198 1 825 . 1 1 78 78 LEU CD1 C 13 25.626 0.1 . 1 . . . . 78 LEU CD1 . 16198 1 826 . 1 1 78 78 LEU CD2 C 13 24.066 0.1 . 1 . . . . 78 LEU CD2 . 16198 1 827 . 1 1 78 78 LEU CG C 13 27.466 0.1 . 1 . . . . 78 LEU CG . 16198 1 828 . 1 1 78 78 LEU N N 15 122.744 0.2 . 1 . . . . 78 LEU N . 16198 1 829 . 1 1 79 79 SER H H 1 8.278 0.02 . 1 . . . . 79 SER H . 16198 1 830 . 1 1 79 79 SER HA H 1 4.408 0.02 . 1 . . . . 79 SER HA . 16198 1 831 . 1 1 79 79 SER HB2 H 1 3.869 0.02 . 2 . . . . 79 SER HB2 . 16198 1 832 . 1 1 79 79 SER HB3 H 1 3.844 0.02 . 2 . . . . 79 SER HB3 . 16198 1 833 . 1 1 79 79 SER C C 13 174.805 0.1 . 1 . . . . 79 SER C . 16198 1 834 . 1 1 79 79 SER CA C 13 59.014 0.1 . 1 . . . . 79 SER CA . 16198 1 835 . 1 1 79 79 SER CB C 13 63.912 0.1 . 1 . . . . 79 SER CB . 16198 1 836 . 1 1 79 79 SER N N 15 115.856 0.2 . 1 . . . . 79 SER N . 16198 1 837 . 1 1 80 80 SER H H 1 8.181 0.02 . 1 . . . . 80 SER H . 16198 1 838 . 1 1 80 80 SER HA H 1 4.422 0.02 . 1 . . . . 80 SER HA . 16198 1 839 . 1 1 80 80 SER HB2 H 1 3.881 0.02 . 2 . . . . 80 SER HB2 . 16198 1 840 . 1 1 80 80 SER HB3 H 1 3.860 0.02 . 2 . . . . 80 SER HB3 . 16198 1 841 . 1 1 80 80 SER C C 13 174.679 0.1 . 1 . . . . 80 SER C . 16198 1 842 . 1 1 80 80 SER CA C 13 58.904 0.1 . 1 . . . . 80 SER CA . 16198 1 843 . 1 1 80 80 SER CB C 13 64.004 0.1 . 1 . . . . 80 SER CB . 16198 1 844 . 1 1 80 80 SER N N 15 117.309 0.2 . 1 . . . . 80 SER N . 16198 1 845 . 1 1 81 81 LEU H H 1 8.158 0.02 . 1 . . . . 81 LEU H . 16198 1 846 . 1 1 81 81 LEU HA H 1 4.192 0.02 . 1 . . . . 81 LEU HA . 16198 1 847 . 1 1 81 81 LEU HB2 H 1 1.915 0.02 . 2 . . . . 81 LEU HB2 . 16198 1 848 . 1 1 81 81 LEU HB3 H 1 1.629 0.02 . 2 . . . . 81 LEU HB3 . 16198 1 849 . 1 1 81 81 LEU HD11 H 1 0.863 0.02 . 2 . . . . 81 LEU QD1 . 16198 1 850 . 1 1 81 81 LEU HD12 H 1 0.863 0.02 . 2 . . . . 81 LEU QD1 . 16198 1 851 . 1 1 81 81 LEU HD13 H 1 0.863 0.02 . 2 . . . . 81 LEU QD1 . 16198 1 852 . 1 1 81 81 LEU HD21 H 1 0.815 0.02 . 2 . . . . 81 LEU QD2 . 16198 1 853 . 1 1 81 81 LEU HD22 H 1 0.815 0.02 . 2 . . . . 81 LEU QD2 . 16198 1 854 . 1 1 81 81 LEU HD23 H 1 0.815 0.02 . 2 . . . . 81 LEU QD2 . 16198 1 855 . 1 1 81 81 LEU HG H 1 1.568 0.02 . 1 . . . . 81 LEU HG . 16198 1 856 . 1 1 81 81 LEU C C 13 177.635 0.1 . 1 . . . . 81 LEU C . 16198 1 857 . 1 1 81 81 LEU CA C 13 55.940 0.1 . 1 . . . . 81 LEU CA . 16198 1 858 . 1 1 81 81 LEU CB C 13 42.521 0.1 . 1 . . . . 81 LEU CB . 16198 1 859 . 1 1 81 81 LEU CD1 C 13 25.598 0.1 . 1 . . . . 81 LEU CD1 . 16198 1 860 . 1 1 81 81 LEU CD2 C 13 23.974 0.1 . 1 . . . . 81 LEU CD2 . 16198 1 861 . 1 1 81 81 LEU CG C 13 27.393 0.1 . 1 . . . . 81 LEU CG . 16198 1 862 . 1 1 81 81 LEU N N 15 123.676 0.2 . 1 . . . . 81 LEU N . 16198 1 863 . 1 1 82 82 GLU H H 1 8.315 0.02 . 1 . . . . 82 GLU H . 16198 1 864 . 1 1 82 82 GLU HA H 1 4.193 0.02 . 1 . . . . 82 GLU HA . 16198 1 865 . 1 1 82 82 GLU HB2 H 1 1.935 0.02 . 2 . . . . 82 GLU HB2 . 16198 1 866 . 1 1 82 82 GLU HB3 H 1 1.892 0.02 . 2 . . . . 82 GLU HB3 . 16198 1 867 . 1 1 82 82 GLU HG2 H 1 2.240 0.02 . 2 . . . . 82 GLU HG2 . 16198 1 868 . 1 1 82 82 GLU HG3 H 1 2.206 0.02 . 2 . . . . 82 GLU HG3 . 16198 1 869 . 1 1 82 82 GLU C C 13 177.160 0.1 . 1 . . . . 82 GLU C . 16198 1 870 . 1 1 82 82 GLU CA C 13 57.531 0.1 . 1 . . . . 82 GLU CA . 16198 1 871 . 1 1 82 82 GLU CB C 13 30.312 0.1 . 1 . . . . 82 GLU CB . 16198 1 872 . 1 1 82 82 GLU CG C 13 36.910 0.1 . 1 . . . . 82 GLU CG . 16198 1 873 . 1 1 82 82 GLU N N 15 121.070 0.2 . 1 . . . . 82 GLU N . 16198 1 874 . 1 1 83 83 GLY H H 1 8.369 0.02 . 1 . . . . 83 GLY H . 16198 1 875 . 1 1 83 83 GLY HA2 H 1 3.972 0.02 . 2 . . . . 83 GLY HA2 . 16198 1 876 . 1 1 83 83 GLY HA3 H 1 3.922 0.02 . 2 . . . . 83 GLY HA3 . 16198 1 877 . 1 1 83 83 GLY C C 13 174.519 0.1 . 1 . . . . 83 GLY C . 16198 1 878 . 1 1 83 83 GLY CA C 13 45.808 0.1 . 1 . . . . 83 GLY CA . 16198 1 879 . 1 1 83 83 GLY N N 15 109.714 0.2 . 1 . . . . 83 GLY N . 16198 1 880 . 1 1 84 84 SER H H 1 8.186 0.02 . 1 . . . . 84 SER H . 16198 1 881 . 1 1 84 84 SER HA H 1 4.425 0.02 . 1 . . . . 84 SER HA . 16198 1 882 . 1 1 84 84 SER HB2 H 1 4.134 0.02 . 2 . . . . 84 SER HB2 . 16198 1 883 . 1 1 84 84 SER HB3 H 1 4.084 0.02 . 2 . . . . 84 SER HB3 . 16198 1 884 . 1 1 84 84 SER C C 13 174.831 0.1 . 1 . . . . 84 SER C . 16198 1 885 . 1 1 84 84 SER CA C 13 59.002 0.1 . 1 . . . . 84 SER CA . 16198 1 886 . 1 1 84 84 SER CB C 13 64.116 0.1 . 1 . . . . 84 SER CB . 16198 1 887 . 1 1 84 84 SER N N 15 115.573 0.2 . 1 . . . . 84 SER N . 16198 1 888 . 1 1 85 85 GLN H H 1 8.414 0.02 . 1 . . . . 85 GLN H . 16198 1 889 . 1 1 85 85 GLN HA H 1 4.296 0.02 . 1 . . . . 85 GLN HA . 16198 1 890 . 1 1 85 85 GLN HB2 H 1 2.013 0.02 . 2 . . . . 85 GLN HB2 . 16198 1 891 . 1 1 85 85 GLN HB3 H 1 1.971 0.02 . 2 . . . . 85 GLN HB3 . 16198 1 892 . 1 1 85 85 GLN HG2 H 1 2.340 0.02 . 2 . . . . 85 GLN HG2 . 16198 1 893 . 1 1 85 85 GLN HG3 H 1 2.265 0.02 . 2 . . . . 85 GLN HG3 . 16198 1 894 . 1 1 85 85 GLN C C 13 176.269 0.1 . 1 . . . . 85 GLN C . 16198 1 895 . 1 1 85 85 GLN CA C 13 56.829 0.1 . 1 . . . . 85 GLN CA . 16198 1 896 . 1 1 85 85 GLN CB C 13 29.616 0.1 . 1 . . . . 85 GLN CB . 16198 1 897 . 1 1 85 85 GLN CG C 13 34.452 0.1 . 1 . . . . 85 GLN CG . 16198 1 898 . 1 1 85 85 GLN N N 15 120.889 0.2 . 1 . . . . 85 GLN N . 16198 1 899 . 1 1 86 86 GLY H H 1 8.301 0.02 . 1 . . . . 86 GLY H . 16198 1 900 . 1 1 86 86 GLY C C 13 173.567 0.1 . 1 . . . . 86 GLY C . 16198 1 901 . 1 1 86 86 GLY CA C 13 45.599 0.1 . 1 . . . . 86 GLY CA . 16198 1 902 . 1 1 86 86 GLY N N 15 109.082 0.2 . 1 . . . . 86 GLY N . 16198 1 903 . 1 1 87 87 LEU H H 1 7.905 0.02 . 1 . . . . 87 LEU H . 16198 1 904 . 1 1 87 87 LEU HA H 1 4.307 0.02 . 1 . . . . 87 LEU HA . 16198 1 905 . 1 1 87 87 LEU HB2 H 1 1.587 0.02 . 2 . . . . 87 LEU HB2 . 16198 1 906 . 1 1 87 87 LEU HB3 H 1 1.498 0.02 . 2 . . . . 87 LEU HB3 . 16198 1 907 . 1 1 87 87 LEU HD11 H 1 0.817 0.02 . 2 . . . . 87 LEU QD1 . 16198 1 908 . 1 1 87 87 LEU HD12 H 1 0.817 0.02 . 2 . . . . 87 LEU QD1 . 16198 1 909 . 1 1 87 87 LEU HD13 H 1 0.817 0.02 . 2 . . . . 87 LEU QD1 . 16198 1 910 . 1 1 87 87 LEU HD21 H 1 0.779 0.02 . 2 . . . . 87 LEU QD2 . 16198 1 911 . 1 1 87 87 LEU HD22 H 1 0.779 0.02 . 2 . . . . 87 LEU QD2 . 16198 1 912 . 1 1 87 87 LEU HD23 H 1 0.779 0.02 . 2 . . . . 87 LEU QD2 . 16198 1 913 . 1 1 87 87 LEU HG H 1 1.479 0.02 . 1 . . . . 87 LEU HG . 16198 1 914 . 1 1 87 87 LEU C C 13 176.852 0.1 . 1 . . . . 87 LEU C . 16198 1 915 . 1 1 87 87 LEU CA C 13 55.604 0.1 . 1 . . . . 87 LEU CA . 16198 1 916 . 1 1 87 87 LEU CB C 13 42.704 0.1 . 1 . . . . 87 LEU CB . 16198 1 917 . 1 1 87 87 LEU CD1 C 13 25.281 0.1 . 1 . . . . 87 LEU CD1 . 16198 1 918 . 1 1 87 87 LEU CD2 C 13 23.998 0.1 . 1 . . . . 87 LEU CD2 . 16198 1 919 . 1 1 87 87 LEU CG C 13 27.419 0.1 . 1 . . . . 87 LEU CG . 16198 1 920 . 1 1 87 87 LEU N N 15 121.470 0.2 . 1 . . . . 87 LEU N . 16198 1 921 . 1 1 88 88 ILE H H 1 8.100 0.02 . 1 . . . . 88 ILE H . 16198 1 922 . 1 1 88 88 ILE CA C 13 58.100 0.1 . 1 . . . . 88 ILE CA . 16198 1 923 . 1 1 88 88 ILE CB C 13 40.900 0.1 . 1 . . . . 88 ILE CB . 16198 1 924 . 1 1 88 88 ILE N N 15 123.084 0.2 . 1 . . . . 88 ILE N . 16198 1 925 . 1 1 89 89 PRO HA H 1 4.347 0.02 . 1 . . . . 89 PRO HA . 16198 1 926 . 1 1 89 89 PRO HB2 H 1 2.192 0.02 . 2 . . . . 89 PRO HB2 . 16198 1 927 . 1 1 89 89 PRO HB3 H 1 2.140 0.02 . 2 . . . . 89 PRO HB3 . 16198 1 928 . 1 1 89 89 PRO HG2 H 1 1.906 0.02 . 2 . . . . 89 PRO HG2 . 16198 1 929 . 1 1 89 89 PRO HG3 H 1 1.854 0.02 . 2 . . . . 89 PRO HG3 . 16198 1 930 . 1 1 89 89 PRO C C 13 176.774 0.1 . 1 . . . . 89 PRO C . 16198 1 931 . 1 1 89 89 PRO CA C 13 63.847 0.1 . 1 . . . . 89 PRO CA . 16198 1 932 . 1 1 89 89 PRO CB C 13 32.429 0.1 . 1 . . . . 89 PRO CB . 16198 1 933 . 1 1 90 90 SER H H 1 8.275 0.02 . 1 . . . . 90 SER H . 16198 1 934 . 1 1 90 90 SER HA H 1 4.305 0.02 . 1 . . . . 90 SER HA . 16198 1 935 . 1 1 90 90 SER HB2 H 1 3.791 0.02 . 2 . . . . 90 SER HB2 . 16198 1 936 . 1 1 90 90 SER HB3 H 1 3.765 0.02 . 2 . . . . 90 SER HB3 . 16198 1 937 . 1 1 90 90 SER C C 13 174.659 0.1 . 1 . . . . 90 SER C . 16198 1 938 . 1 1 90 90 SER CA C 13 59.015 0.1 . 1 . . . . 90 SER CA . 16198 1 939 . 1 1 90 90 SER CB C 13 64.016 0.1 . 1 . . . . 90 SER CB . 16198 1 940 . 1 1 90 90 SER N N 15 115.570 0.2 . 1 . . . . 90 SER N . 16198 1 941 . 1 1 91 91 ARG H H 1 8.315 0.02 . 1 . . . . 91 ARG H . 16198 1 942 . 1 1 91 91 ARG HA H 1 4.311 0.02 . 1 . . . . 91 ARG HA . 16198 1 943 . 1 1 91 91 ARG HB2 H 1 1.730 0.02 . 2 . . . . 91 ARG HB2 . 16198 1 944 . 1 1 91 91 ARG HB3 H 1 1.690 0.02 . 2 . . . . 91 ARG HB3 . 16198 1 945 . 1 1 91 91 ARG HD2 H 1 3.091 0.02 . 2 . . . . 91 ARG HD2 . 16198 1 946 . 1 1 91 91 ARG HD3 H 1 3.016 0.02 . 2 . . . . 91 ARG HD3 . 16198 1 947 . 1 1 91 91 ARG HG2 H 1 1.605 0.02 . 2 . . . . 91 ARG HG2 . 16198 1 948 . 1 1 91 91 ARG HG3 H 1 1.575 0.02 . 2 . . . . 91 ARG HG3 . 16198 1 949 . 1 1 91 91 ARG C C 13 176.461 0.1 . 1 . . . . 91 ARG C . 16198 1 950 . 1 1 91 91 ARG CA C 13 56.588 0.1 . 1 . . . . 91 ARG CA . 16198 1 951 . 1 1 91 91 ARG CB C 13 30.840 0.1 . 1 . . . . 91 ARG CB . 16198 1 952 . 1 1 91 91 ARG CD C 13 43.733 0.1 . 1 . . . . 91 ARG CD . 16198 1 953 . 1 1 91 91 ARG CG C 13 27.394 0.1 . 1 . . . . 91 ARG CG . 16198 1 954 . 1 1 91 91 ARG N N 15 122.470 0.2 . 1 . . . . 91 ARG N . 16198 1 955 . 1 1 92 92 GLY H H 1 8.327 0.02 . 1 . . . . 92 GLY H . 16198 1 956 . 1 1 92 92 GLY HA2 H 1 3.896 0.02 . 2 . . . . 92 GLY HA2 . 16198 1 957 . 1 1 92 92 GLY HA3 H 1 3.844 0.02 . 2 . . . . 92 GLY HA3 . 16198 1 958 . 1 1 92 92 GLY C C 13 173.657 0.1 . 1 . . . . 92 GLY C . 16198 1 959 . 1 1 92 92 GLY CA C 13 45.504 0.1 . 1 . . . . 92 GLY CA . 16198 1 960 . 1 1 92 92 GLY N N 15 109.377 0.2 . 1 . . . . 92 GLY N . 16198 1 961 . 1 1 93 93 TRP H H 1 7.979 0.02 . 1 . . . . 93 TRP H . 16198 1 962 . 1 1 93 93 TRP HA H 1 4.643 0.02 . 1 . . . . 93 TRP HA . 16198 1 963 . 1 1 93 93 TRP HB2 H 1 3.232 0.02 . 2 . . . . 93 TRP HB2 . 16198 1 964 . 1 1 93 93 TRP HB3 H 1 3.166 0.02 . 2 . . . . 93 TRP HB3 . 16198 1 965 . 1 1 93 93 TRP HE1 H 1 10.098 0.02 . 1 . . . . 93 TRP HE1 . 16198 1 966 . 1 1 93 93 TRP HE3 H 1 7.054 0.02 . 1 . . . . 93 TRP HE3 . 16198 1 967 . 1 1 93 93 TRP C C 13 176.270 0.1 . 1 . . . . 93 TRP C . 16198 1 968 . 1 1 93 93 TRP CA C 13 57.704 0.1 . 1 . . . . 93 TRP CA . 16198 1 969 . 1 1 93 93 TRP CB C 13 30.104 0.1 . 1 . . . . 93 TRP CB . 16198 1 970 . 1 1 93 93 TRP N N 15 121.024 0.2 . 1 . . . . 93 TRP N . 16198 1 971 . 1 1 93 93 TRP NE1 N 15 129.494 0.2 . 1 . . . . 93 TRP NE1 . 16198 1 972 . 1 1 94 94 THR H H 1 7.976 0.02 . 1 . . . . 94 THR H . 16198 1 973 . 1 1 94 94 THR HA H 1 4.193 0.02 . 1 . . . . 94 THR HA . 16198 1 974 . 1 1 94 94 THR HB H 1 4.147 0.02 . 1 . . . . 94 THR HB . 16198 1 975 . 1 1 94 94 THR HG21 H 1 1.026 0.02 . 1 . . . . 94 THR QG2 . 16198 1 976 . 1 1 94 94 THR HG22 H 1 1.026 0.02 . 1 . . . . 94 THR QG2 . 16198 1 977 . 1 1 94 94 THR HG23 H 1 1.026 0.02 . 1 . . . . 94 THR QG2 . 16198 1 978 . 1 1 94 94 THR C C 13 173.612 0.1 . 1 . . . . 94 THR C . 16198 1 979 . 1 1 94 94 THR CA C 13 61.940 0.1 . 1 . . . . 94 THR CA . 16198 1 980 . 1 1 94 94 THR CB C 13 70.350 0.1 . 1 . . . . 94 THR CB . 16198 1 981 . 1 1 94 94 THR CG2 C 13 22.075 0.1 . 1 . . . . 94 THR CG2 . 16198 1 982 . 1 1 94 94 THR N N 15 115.393 0.2 . 1 . . . . 94 THR N . 16198 1 983 . 1 1 95 95 ASP H H 1 8.152 0.02 . 1 . . . . 95 ASP H . 16198 1 984 . 1 1 95 95 ASP HA H 1 4.442 0.02 . 1 . . . . 95 ASP HA . 16198 1 985 . 1 1 95 95 ASP HB2 H 1 2.593 0.02 . 2 . . . . 95 ASP HB2 . 16198 1 986 . 1 1 95 95 ASP HB3 H 1 2.557 0.02 . 2 . . . . 95 ASP HB3 . 16198 1 987 . 1 1 95 95 ASP C C 13 175.710 0.1 . 1 . . . . 95 ASP C . 16198 1 988 . 1 1 95 95 ASP CA C 13 54.523 0.1 . 1 . . . . 95 ASP CA . 16198 1 989 . 1 1 95 95 ASP CB C 13 41.520 0.1 . 1 . . . . 95 ASP CB . 16198 1 990 . 1 1 95 95 ASP N N 15 122.167 0.2 . 1 . . . . 95 ASP N . 16198 1 991 . 1 1 96 96 ASP H H 1 8.193 0.02 . 1 . . . . 96 ASP H . 16198 1 992 . 1 1 96 96 ASP CA C 13 54.600 0.1 . 1 . . . . 96 ASP CA . 16198 1 993 . 1 1 96 96 ASP CB C 13 41.400 0.1 . 1 . . . . 96 ASP CB . 16198 1 994 . 1 1 96 96 ASP N N 15 120.471 0.2 . 1 . . . . 96 ASP N . 16198 1 995 . 1 1 100 100 HIS HA H 1 4.570 0.02 . 1 . . . . 100 HIS HA . 16198 1 996 . 1 1 100 100 HIS HB2 H 1 3.089 0.02 . 2 . . . . 100 HIS HB2 . 16198 1 997 . 1 1 100 100 HIS HB3 H 1 3.038 0.02 . 2 . . . . 100 HIS HB3 . 16198 1 998 . 1 1 100 100 HIS C C 13 173.719 0.1 . 1 . . . . 100 HIS C . 16198 1 999 . 1 1 100 100 HIS CA C 13 57.500 0.1 . 1 . . . . 100 HIS CA . 16198 1 1000 . 1 1 100 100 HIS CB C 13 30.300 0.1 . 1 . . . . 100 HIS CB . 16198 1 1001 . 1 1 101 101 HIS H H 1 8.163 0.02 . 1 . . . . 101 HIS H . 16198 1 1002 . 1 1 101 101 HIS CA C 13 57.500 0.1 . 1 . . . . 101 HIS CA . 16198 1 1003 . 1 1 101 101 HIS CB C 13 30.300 0.1 . 1 . . . . 101 HIS CB . 16198 1 1004 . 1 1 101 101 HIS N N 15 125.288 0.2 . 1 . . . . 101 HIS N . 16198 1 stop_ save_