data_19485 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19485 _Entry.Title ; Chemical Shift Assignments for SVIP (small VCP/p97-interacting protein) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-10 _Entry.Accession_date 2013-09-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'SVIP small VCP/p97-interacting protein (Human)' _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 Jiawen Wu . . . 19485 2 Dungeng Peng . . . 19485 3 Markus Voehler . . . 19485 4 Charles Sanders . R. . 19485 5 Jun Li . . . 19485 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19485 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 19485 '15N chemical shifts' 67 19485 '1H chemical shifts' 477 19485 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-03 2013-09-10 update BMRB 'update entry citation' 19485 1 . . 2013-10-09 2013-09-10 original author 'original release' 19485 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19485 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24055875 _Citation.Full_citation . _Citation.Title 'Structure and expression of a novel compact myelin protein - small VCP-interacting protein (SVIP).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 440 _Citation.Journal_issue 1 _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 173 _Citation.Page_last 178 _Citation.Year 2013 _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 Jiawen Wu . . . 19485 1 2 Dungeng Peng . . . 19485 1 3 Markus Voehler . . . 19485 1 4 Charles Sanders . R. . 19485 1 5 Jun Li . . . 19485 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 19485 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19485 _Assembly.ID 1 _Assembly.Name 'SVIP mutation' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 9476 _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 'SVIP mutation' 1 $SVIPM A . yes 'intrinsically disordered' no no 1 . . 19485 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes GB NM_148893 . . . . . . 19485 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'a Novel Compact Myelin Protein' 19485 1 'Homo sapiens small VCP/p97-interacting protein' 19485 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SVIPM _Entity.Sf_category entity _Entity.Sf_framecode SVIPM _Entity.Entry_ID 19485 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SVIPM _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 ; MGLSFPSPGESAPPTPDLEE KRAKLAEAAERRQKEAASRG ILDVQSVQEKRKKKEKIEKQ IATSGPPPEGGLRWTVSLEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 78-85 represent a non-native affinity His-tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'SVIP mutation (SVIPM)' _Entity.Mutation 'C4S/C7S double mutant form of SVIP' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9475.68 _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 yes GB NM_148893 . "Homo sapiens small VCP/p97-interacting protein (SVIP)" . . . . . . . . . . . . . . 19485 1 2 no EMBL CAH92580 . "hypothetical protein [Pongo abelii]" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 3 no GB AAM88869 . "hypothetical protein [Homo sapiens]" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 4 no GB EAW68312 . "hCG1650756, isoform CRA_a [Homo sapiens]" . . . . . 69.41 79 100.00 100.00 2.20e-30 . . . . 19485 1 5 no GB EAW68313 . "hCG1650756, isoform CRA_b [Homo sapiens]" . . . . . 85.88 79 97.26 97.26 2.50e-40 . . . . 19485 1 6 no GB EAW68314 . "hCG1650756, isoform CRA_c [Homo sapiens]" . . . . . 70.59 60 98.33 100.00 4.98e-31 . . . . 19485 1 7 no GB EAW68315 . "hCG1650756, isoform CRA_d [Homo sapiens]" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 8 no REF NP_001126513 . "small VCP/p97-interacting protein [Pongo abelii]" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 9 no REF NP_001248626 . "small VCP/p97-interacting protein [Macaca mulatta]" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 10 no REF NP_683691 . "small VCP/p97-interacting protein [Homo sapiens]" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 11 no REF XP_001173949 . "PREDICTED: small VCP/p97-interacting protein [Pan troglodytes]" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 12 no REF XP_003254381 . "PREDICTED: small VCP/p97-interacting protein isoform X2 [Nomascus leucogenys]" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 13 no SP Q5R6N0 . "RecName: Full=Small VCP/p97-interacting protein" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 14 no SP Q8NHG7 . "RecName: Full=Small VCP/p97-interacting protein" . . . . . 90.59 77 97.40 97.40 3.08e-44 . . . . 19485 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'a Novel Compact Myelin Protein' 19485 1 'Homo sapiens small VCP/p97-interacting protein' 19485 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 . 19485 1 2 . GLY . 19485 1 3 . LEU . 19485 1 4 . SER . 19485 1 5 . PHE . 19485 1 6 . PRO . 19485 1 7 . SER . 19485 1 8 . PRO . 19485 1 9 . GLY . 19485 1 10 . GLU . 19485 1 11 . SER . 19485 1 12 . ALA . 19485 1 13 . PRO . 19485 1 14 . PRO . 19485 1 15 . THR . 19485 1 16 . PRO . 19485 1 17 . ASP . 19485 1 18 . LEU . 19485 1 19 . GLU . 19485 1 20 . GLU . 19485 1 21 . LYS . 19485 1 22 . ARG . 19485 1 23 . ALA . 19485 1 24 . LYS . 19485 1 25 . LEU . 19485 1 26 . ALA . 19485 1 27 . GLU . 19485 1 28 . ALA . 19485 1 29 . ALA . 19485 1 30 . GLU . 19485 1 31 . ARG . 19485 1 32 . ARG . 19485 1 33 . GLN . 19485 1 34 . LYS . 19485 1 35 . GLU . 19485 1 36 . ALA . 19485 1 37 . ALA . 19485 1 38 . SER . 19485 1 39 . ARG . 19485 1 40 . GLY . 19485 1 41 . ILE . 19485 1 42 . LEU . 19485 1 43 . ASP . 19485 1 44 . VAL . 19485 1 45 . GLN . 19485 1 46 . SER . 19485 1 47 . VAL . 19485 1 48 . GLN . 19485 1 49 . GLU . 19485 1 50 . LYS . 19485 1 51 . ARG . 19485 1 52 . LYS . 19485 1 53 . LYS . 19485 1 54 . LYS . 19485 1 55 . GLU . 19485 1 56 . LYS . 19485 1 57 . ILE . 19485 1 58 . GLU . 19485 1 59 . LYS . 19485 1 60 . GLN . 19485 1 61 . ILE . 19485 1 62 . ALA . 19485 1 63 . THR . 19485 1 64 . SER . 19485 1 65 . GLY . 19485 1 66 . PRO . 19485 1 67 . PRO . 19485 1 68 . PRO . 19485 1 69 . GLU . 19485 1 70 . GLY . 19485 1 71 . GLY . 19485 1 72 . LEU . 19485 1 73 . ARG . 19485 1 74 . TRP . 19485 1 75 . THR . 19485 1 76 . VAL . 19485 1 77 . SER . 19485 1 78 . LEU . 19485 1 79 . GLU . 19485 1 80 . HIS . 19485 1 81 . HIS . 19485 1 82 . HIS . 19485 1 83 . HIS . 19485 1 84 . HIS . 19485 1 85 . HIS . 19485 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 19485 1 . GLY 2 2 19485 1 . LEU 3 3 19485 1 . SER 4 4 19485 1 . PHE 5 5 19485 1 . PRO 6 6 19485 1 . SER 7 7 19485 1 . PRO 8 8 19485 1 . GLY 9 9 19485 1 . GLU 10 10 19485 1 . SER 11 11 19485 1 . ALA 12 12 19485 1 . PRO 13 13 19485 1 . PRO 14 14 19485 1 . THR 15 15 19485 1 . PRO 16 16 19485 1 . ASP 17 17 19485 1 . LEU 18 18 19485 1 . GLU 19 19 19485 1 . GLU 20 20 19485 1 . LYS 21 21 19485 1 . ARG 22 22 19485 1 . ALA 23 23 19485 1 . LYS 24 24 19485 1 . LEU 25 25 19485 1 . ALA 26 26 19485 1 . GLU 27 27 19485 1 . ALA 28 28 19485 1 . ALA 29 29 19485 1 . GLU 30 30 19485 1 . ARG 31 31 19485 1 . ARG 32 32 19485 1 . GLN 33 33 19485 1 . LYS 34 34 19485 1 . GLU 35 35 19485 1 . ALA 36 36 19485 1 . ALA 37 37 19485 1 . SER 38 38 19485 1 . ARG 39 39 19485 1 . GLY 40 40 19485 1 . ILE 41 41 19485 1 . LEU 42 42 19485 1 . ASP 43 43 19485 1 . VAL 44 44 19485 1 . GLN 45 45 19485 1 . SER 46 46 19485 1 . VAL 47 47 19485 1 . GLN 48 48 19485 1 . GLU 49 49 19485 1 . LYS 50 50 19485 1 . ARG 51 51 19485 1 . LYS 52 52 19485 1 . LYS 53 53 19485 1 . LYS 54 54 19485 1 . GLU 55 55 19485 1 . LYS 56 56 19485 1 . ILE 57 57 19485 1 . GLU 58 58 19485 1 . LYS 59 59 19485 1 . GLN 60 60 19485 1 . ILE 61 61 19485 1 . ALA 62 62 19485 1 . THR 63 63 19485 1 . SER 64 64 19485 1 . GLY 65 65 19485 1 . PRO 66 66 19485 1 . PRO 67 67 19485 1 . PRO 68 68 19485 1 . GLU 69 69 19485 1 . GLY 70 70 19485 1 . GLY 71 71 19485 1 . LEU 72 72 19485 1 . ARG 73 73 19485 1 . TRP 74 74 19485 1 . THR 75 75 19485 1 . VAL 76 76 19485 1 . SER 77 77 19485 1 . LEU 78 78 19485 1 . GLU 79 79 19485 1 . HIS 80 80 19485 1 . HIS 81 81 19485 1 . HIS 82 82 19485 1 . HIS 83 83 19485 1 . HIS 84 84 19485 1 . HIS 85 85 19485 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 19485 _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 $SVIPM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'Homo sapiens small VCP/p97-interacting protein (SVIP)' . . . . 19485 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 19485 _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 $SVIPM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b(+) . . . . . . 19485 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19485 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM phosphate buffer, 25 mM NaCl, 0.1 mM EDTA, pH 5.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SVIPM '[U-99% 13C; U-99% 15N]' . . 1 $SVIPM . . . 0.4 0.6 mM . . . . 19485 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19485 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19485 1 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 19485 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19485 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19485 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 19485 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM phosphate buffer, 25 mM NaCl, 0.1 mM EDTA, pH 5.0' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 19485 1 pH 5.0 . pH 19485 1 pressure 1 . atm 19485 1 temperature 298 . K 19485 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19485 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19485 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19485 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 19485 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Avance 600MHz spectrometer equipped with cryogenic triple resonance probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19485 _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 . 600 'Bruker Avance 600MHz spectrometer equipped with cryogenic triple resonance probes' . . 19485 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 19485 _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 . . . . . . . . . . . . . . . . 19485 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19485 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19485 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19485 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19485 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19485 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19485 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19485 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19485 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19485 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 19485 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19485 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19485 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19485 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 19485 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19485 1 2 '3D CBCA(CO)NH' 1 $sample_1 . 19485 1 3 '3D HNCACB' 1 $sample_1 . 19485 1 4 '3D HBHA(CO)NH' 1 $sample_1 . 19485 1 5 '3D HNCO' 1 $sample_1 . 19485 1 6 '3D HNCA' 1 $sample_1 . 19485 1 7 '3D 1H-15N NOESY' 1 $sample_1 . 19485 1 8 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19485 1 9 '3D HCCH-TOCSY' 1 $sample_1 . 19485 1 10 '3D HCCH-COSY' 1 $sample_1 . 19485 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.493 0.01 . 1 . . . . 1 MET HA . 19485 1 2 . 1 1 1 1 MET HB2 H 1 2.077 0.01 . 2 . . . . 1 MET HB2 . 19485 1 3 . 1 1 1 1 MET HB3 H 1 2.013 0.01 . 2 . . . . 1 MET HB3 . 19485 1 4 . 1 1 1 1 MET HG2 H 1 2.572 0.01 . 1 . . . . 1 MET HG# . 19485 1 5 . 1 1 1 1 MET HG3 H 1 2.572 0.01 . 1 . . . . 1 MET HG# . 19485 1 6 . 1 1 1 1 MET C C 13 173.761 0.10 . 1 . . . . 1 MET CO . 19485 1 7 . 1 1 1 1 MET CA C 13 53.775 0.10 . 1 . . . . 1 MET CA . 19485 1 8 . 1 1 1 1 MET CB C 13 30.872 0.10 . 1 . . . . 1 MET CB . 19485 1 9 . 1 1 1 1 MET CG C 13 29.854 0.10 . 1 . . . . 1 MET CG . 19485 1 10 . 1 1 2 2 GLY H H 1 8.424 0.01 . 1 . . . . 2 GLY NH . 19485 1 11 . 1 1 2 2 GLY HA2 H 1 3.938 0.01 . 2 . . . . 2 GLY HA . 19485 1 12 . 1 1 2 2 GLY HA3 H 1 3.938 0.01 . 2 . . . . 2 GLY HA . 19485 1 13 . 1 1 2 2 GLY C C 13 171.39 0.10 . 1 . . . . 2 GLY CO . 19485 1 14 . 1 1 2 2 GLY CA C 13 43.145 0.10 . 1 . . . . 2 GLY CA . 19485 1 15 . 1 1 2 2 GLY N N 15 110.38 0.10 . 1 . . . . 2 GLY N . 19485 1 16 . 1 1 3 3 LEU H H 1 8.061 0.01 . 1 . . . . 3 LEU NH . 19485 1 17 . 1 1 3 3 LEU HA H 1 4.33 0.01 . 1 . . . . 3 LEU HA . 19485 1 18 . 1 1 3 3 LEU HB2 H 1 1.552 0.01 . 2 . . . . 3 LEU HB2 . 19485 1 19 . 1 1 3 3 LEU HB3 H 1 1.463 0.01 . 2 . . . . 3 LEU HB3 . 19485 1 20 . 1 1 3 3 LEU HD11 H 1 0.827 0.01 . 1 . . . . 3 LEU HD# . 19485 1 21 . 1 1 3 3 LEU HD12 H 1 0.827 0.01 . 1 . . . . 3 LEU HD# . 19485 1 22 . 1 1 3 3 LEU HD13 H 1 0.827 0.01 . 1 . . . . 3 LEU HD# . 19485 1 23 . 1 1 3 3 LEU HD21 H 1 0.827 0.01 . 1 . . . . 3 LEU HD# . 19485 1 24 . 1 1 3 3 LEU HD22 H 1 0.827 0.01 . 1 . . . . 3 LEU HD# . 19485 1 25 . 1 1 3 3 LEU HD23 H 1 0.827 0.01 . 1 . . . . 3 LEU HD# . 19485 1 26 . 1 1 3 3 LEU C C 13 174.927 0.10 . 1 . . . . 3 LEU CO . 19485 1 27 . 1 1 3 3 LEU CA C 13 52.998 0.10 . 1 . . . . 3 LEU CA . 19485 1 28 . 1 1 3 3 LEU CB C 13 40.559 0.10 . 1 . . . . 3 LEU CB . 19485 1 29 . 1 1 3 3 LEU CD1 C 13 21.41 0.10 . 1 . . . . 3 LEU CD# . 19485 1 30 . 1 1 3 3 LEU CD2 C 13 21.41 0.10 . 1 . . . . 3 LEU CD# . 19485 1 31 . 1 1 3 3 LEU N N 15 121.19 0.10 . 1 . . . . 3 LEU N . 19485 1 32 . 1 1 4 4 SER H H 1 8.1 0.01 . 1 . . . . 4 SER NH . 19485 1 33 . 1 1 4 4 SER HA H 1 4.374 0.01 . 1 . . . . 4 SER HA . 19485 1 34 . 1 1 4 4 SER HB2 H 1 3.701 0.01 . 2 . . . . 4 SER HB . 19485 1 35 . 1 1 4 4 SER HB3 H 1 3.701 0.01 . 2 . . . . 4 SER HB . 19485 1 36 . 1 1 4 4 SER C C 13 171.089 0.10 . 1 . . . . 4 SER CO . 19485 1 37 . 1 1 4 4 SER CA C 13 55.931 0.10 . 1 . . . . 4 SER CA . 19485 1 38 . 1 1 4 4 SER CB C 13 61.92 0.10 . 1 . . . . 4 SER CB . 19485 1 39 . 1 1 4 4 SER N N 15 116.075 0.10 . 1 . . . . 4 SER N . 19485 1 40 . 1 1 5 5 PHE H H 1 8.106 0.01 . 1 . . . . 5 PHE NH . 19485 1 41 . 1 1 5 5 PHE HA H 1 4.872 0.01 . 1 . . . . 5 PHE HA . 19485 1 42 . 1 1 5 5 PHE HB2 H 1 3.129 0.01 . 2 . . . . 5 PHE HB2 . 19485 1 43 . 1 1 5 5 PHE HB3 H 1 2.873 0.01 . 2 . . . . 5 PHE HB3 . 19485 1 44 . 1 1 5 5 PHE C C 13 171.38 0.10 . 1 . . . . 5 PHE CO . 19485 1 45 . 1 1 5 5 PHE CA C 13 53.477 0.10 . 1 . . . . 5 PHE CA . 19485 1 46 . 1 1 5 5 PHE CB C 13 37.23 0.10 . 1 . . . . 5 PHE CB . 19485 1 47 . 1 1 5 5 PHE N N 15 122.258 0.10 . 1 . . . . 5 PHE N . 19485 1 48 . 1 1 6 6 PRO HA H 1 4.433 0.01 . 1 . . . . 6 PRO HA . 19485 1 49 . 1 1 6 6 PRO HB2 H 1 2.221 0.01 . 2 . . . . 6 PRO HB2 . 19485 1 50 . 1 1 6 6 PRO HB3 H 1 1.872 0.01 . 2 . . . . 6 PRO HB3 . 19485 1 51 . 1 1 6 6 PRO HG2 H 1 1.954 0.01 . 2 . . . . 6 PRO HG2 . 19485 1 52 . 1 1 6 6 PRO HG3 H 1 1.901 0.01 . 2 . . . . 6 PRO HG3 . 19485 1 53 . 1 1 6 6 PRO HD2 H 1 3.746 0.01 . 2 . . . . 6 PRO HD2 . 19485 1 54 . 1 1 6 6 PRO HD3 H 1 3.543 0.01 . 2 . . . . 6 PRO HD3 . 19485 1 55 . 1 1 6 6 PRO C C 13 174.37 0.10 . 1 . . . . 6 PRO CO . 19485 1 56 . 1 1 6 6 PRO CA C 13 60.962 0.10 . 1 . . . . 6 PRO CA . 19485 1 57 . 1 1 6 6 PRO CB C 13 29.94 0.10 . 1 . . . . 6 PRO CB . 19485 1 58 . 1 1 6 6 PRO CG C 13 25.298 0.10 . 1 . . . . 6 PRO CG . 19485 1 59 . 1 1 6 6 PRO CD C 13 48.506 0.10 . 1 . . . . 6 PRO CD . 19485 1 60 . 1 1 7 7 SER H H 1 8.381 0.01 . 1 . . . . 7 SER NH . 19485 1 61 . 1 1 7 7 SER HA H 1 4.725 0.01 . 1 . . . . 7 SER HA . 19485 1 62 . 1 1 7 7 SER HB2 H 1 3.861 0.01 . 2 . . . . 7 SER HB2 . 19485 1 63 . 1 1 7 7 SER HB3 H 1 3.837 0.01 . 2 . . . . 7 SER HB3 . 19485 1 64 . 1 1 7 7 SER C C 13 170.863 0.10 . 1 . . . . 7 SER CO . 19485 1 65 . 1 1 7 7 SER CA C 13 54.519 0.10 . 1 . . . . 7 SER CA . 19485 1 66 . 1 1 7 7 SER CB C 13 61.397 0.10 . 1 . . . . 7 SER CB . 19485 1 67 . 1 1 7 7 SER N N 15 117.598 0.10 . 1 . . . . 7 SER N . 19485 1 68 . 1 1 8 8 PRO HA H 1 4.397 0.01 . 1 . . . . 8 PRO HA . 19485 1 69 . 1 1 8 8 PRO HB2 H 1 2.284 0.01 . 2 . . . . 8 PRO HB2 . 19485 1 70 . 1 1 8 8 PRO HB3 H 1 1.936 0.01 . 2 . . . . 8 PRO HB3 . 19485 1 71 . 1 1 8 8 PRO HG2 H 1 2.051 0.01 . 2 . . . . 8 PRO HG2 . 19485 1 72 . 1 1 8 8 PRO HG3 H 1 1.952 0.01 . 2 . . . . 8 PRO HG3 . 19485 1 73 . 1 1 8 8 PRO HD2 H 1 3.842 0.01 . 2 . . . . 8 PRO HD2 . 19485 1 74 . 1 1 8 8 PRO HD3 H 1 3.737 0.01 . 2 . . . . 8 PRO HD3 . 19485 1 75 . 1 1 8 8 PRO C C 13 175.375 0.10 . 1 . . . . 8 PRO CO . 19485 1 76 . 1 1 8 8 PRO CA C 13 61.775 0.10 . 1 . . . . 8 PRO CA . 19485 1 77 . 1 1 8 8 PRO CB C 13 29.931 0.10 . 1 . . . . 8 PRO CB . 19485 1 78 . 1 1 8 8 PRO CG C 13 25.341 0.10 . 1 . . . . 8 PRO CG . 19485 1 79 . 1 1 8 8 PRO CD C 13 48.82 0.10 . 1 . . . . 8 PRO CD . 19485 1 80 . 1 1 9 9 GLY H H 1 8.362 0.01 . 1 . . . . 9 GLY NH . 19485 1 81 . 1 1 9 9 GLY HA2 H 1 3.921 0.01 . 2 . . . . 9 GLY HA . 19485 1 82 . 1 1 9 9 GLY HA3 H 1 3.921 0.01 . 2 . . . . 9 GLY HA . 19485 1 83 . 1 1 9 9 GLY C C 13 171.952 0.10 . 1 . . . . 9 GLY CO . 19485 1 84 . 1 1 9 9 GLY CA C 13 43.191 0.10 . 1 . . . . 9 GLY CA . 19485 1 85 . 1 1 9 9 GLY N N 15 108.774 0.10 . 1 . . . . 9 GLY N . 19485 1 86 . 1 1 10 10 GLU H H 1 8.062 0.01 . 1 . . . . 10 GLU NH . 19485 1 87 . 1 1 10 10 GLU HA H 1 4.327 0.01 . 1 . . . . 10 GLU HA . 19485 1 88 . 1 1 10 10 GLU HB2 H 1 2.063 0.01 . 2 . . . . 10 GLU HB2 . 19485 1 89 . 1 1 10 10 GLU HB3 H 1 1.934 0.01 . 2 . . . . 10 GLU HB3 . 19485 1 90 . 1 1 10 10 GLU HG2 H 1 2.235 0.01 . 1 . . . . 10 GLU HG# . 19485 1 91 . 1 1 10 10 GLU HG3 H 1 2.235 0.01 . 1 . . . . 10 GLU HG# . 19485 1 92 . 1 1 10 10 GLU C C 13 174.24 0.10 . 1 . . . . 10 GLU CO . 19485 1 93 . 1 1 10 10 GLU CA C 13 54.401 0.10 . 1 . . . . 10 GLU CA . 19485 1 94 . 1 1 10 10 GLU CB C 13 28.373 0.10 . 1 . . . . 10 GLU CB . 19485 1 95 . 1 1 10 10 GLU CG C 13 33.95 0.10 . 1 . . . . 10 GLU CG . 19485 1 96 . 1 1 10 10 GLU N N 15 120.085 0.10 . 1 . . . . 10 GLU N . 19485 1 97 . 1 1 11 11 SER H H 1 8.273 0.01 . 1 . . . . 11 SER NH . 19485 1 98 . 1 1 11 11 SER HA H 1 4.413 0.01 . 1 . . . . 11 SER HA . 19485 1 99 . 1 1 11 11 SER HB2 H 1 3.811 0.01 . 1 . . . . 11 SER HB# . 19485 1 100 . 1 1 11 11 SER HB3 H 1 3.811 0.01 . 1 . . . . 11 SER HB# . 19485 1 101 . 1 1 11 11 SER C C 13 171.409 0.10 . 1 . . . . 11 SER CO . 19485 1 102 . 1 1 11 11 SER CA C 13 56.152 0.10 . 1 . . . . 11 SER CA . 19485 1 103 . 1 1 11 11 SER CB C 13 61.913 0.10 . 1 . . . . 11 SER CB . 19485 1 104 . 1 1 11 11 SER N N 15 116.616 0.10 . 1 . . . . 11 SER N . 19485 1 105 . 1 1 12 12 ALA H H 1 8.191 0.01 . 1 . . . . 12 ALA NH . 19485 1 106 . 1 1 12 12 ALA HA H 1 4.583 0.01 . 1 . . . . 12 ALA HA . 19485 1 107 . 1 1 12 12 ALA HB1 H 1 1.314 0.01 . 1 . . . . 12 ALA HB . 19485 1 108 . 1 1 12 12 ALA HB2 H 1 1.314 0.01 . 1 . . . . 12 ALA HB . 19485 1 109 . 1 1 12 12 ALA HB3 H 1 1.314 0.01 . 1 . . . . 12 ALA HB . 19485 1 110 . 1 1 12 12 ALA C C 13 172.672 0.10 . 1 . . . . 12 ALA CO . 19485 1 111 . 1 1 12 12 ALA CA C 13 48.408 0.10 . 1 . . . . 12 ALA CA . 19485 1 112 . 1 1 12 12 ALA CB C 13 16.19 0.10 . 1 . . . . 12 ALA CB . 19485 1 113 . 1 1 12 12 ALA N N 15 126.678 0.10 . 1 . . . . 12 ALA N . 19485 1 114 . 1 1 14 14 PRO HA H 1 4.463 0.01 . 1 . . . . 14 PRO HA . 19485 1 115 . 1 1 14 14 PRO HB2 H 1 2.25 0.01 . 2 . . . . 14 PRO HB2 . 19485 1 116 . 1 1 14 14 PRO HB3 H 1 1.884 0.01 . 2 . . . . 14 PRO HB3 . 19485 1 117 . 1 1 14 14 PRO HG2 H 1 2.004 0.01 . 1 . . . . 14 PRO HG# . 19485 1 118 . 1 1 14 14 PRO HG3 H 1 2.004 0.01 . 1 . . . . 14 PRO HG# . 19485 1 119 . 1 1 14 14 PRO HD2 H 1 3.78 0.01 . 2 . . . . 14 PRO HD2 . 19485 1 120 . 1 1 14 14 PRO HD3 H 1 3.614 0.01 . 2 . . . . 14 PRO HD3 . 19485 1 121 . 1 1 14 14 PRO C C 13 174.582 0.10 . 1 . . . . 14 PRO CO . 19485 1 122 . 1 1 14 14 PRO CA C 13 60.858 0.10 . 1 . . . . 14 PRO CA . 19485 1 123 . 1 1 14 14 PRO CB C 13 29.923 0.10 . 1 . . . . 14 PRO CB . 19485 1 124 . 1 1 14 14 PRO CG C 13 25.288 0.10 . 1 . . . . 14 PRO CG . 19485 1 125 . 1 1 14 14 PRO CD C 13 48.389 0.10 . 1 . . . . 14 PRO CD . 19485 1 126 . 1 1 15 15 THR H H 1 8.073 0.01 . 1 . . . . 15 THR NH . 19485 1 127 . 1 1 15 15 THR HA H 1 4.57 0.01 . 1 . . . . 15 THR HA . 19485 1 128 . 1 1 15 15 THR HB H 1 4.216 0.01 . 1 . . . . 15 THR HB . 19485 1 129 . 1 1 15 15 THR HG21 H 1 1.244 0.01 . 1 . . . . 15 THR HG2 . 19485 1 130 . 1 1 15 15 THR HG22 H 1 1.244 0.01 . 1 . . . . 15 THR HG2 . 19485 1 131 . 1 1 15 15 THR HG23 H 1 1.244 0.01 . 1 . . . . 15 THR HG2 . 19485 1 132 . 1 1 15 15 THR C C 13 171.147 0.10 . 1 . . . . 15 THR CO . 19485 1 133 . 1 1 15 15 THR CA C 13 57.777 0.10 . 1 . . . . 15 THR CA . 19485 1 134 . 1 1 15 15 THR CB C 13 67.568 0.10 . 1 . . . . 15 THR CB . 19485 1 135 . 1 1 15 15 THR CG2 C 13 19.606 0.10 . 1 . . . . 15 THR CG2 . 19485 1 136 . 1 1 15 15 THR N N 15 115.514 0.10 . 1 . . . . 15 THR N . 19485 1 137 . 1 1 16 16 PRO HA H 1 4.382 0.01 . 1 . . . . 16 PRO HA . 19485 1 138 . 1 1 16 16 PRO HB2 H 1 2.275 0.01 . 2 . . . . 16 PRO HB2 . 19485 1 139 . 1 1 16 16 PRO HB3 H 1 1.894 0.01 . 2 . . . . 16 PRO HB3 . 19485 1 140 . 1 1 16 16 PRO HG2 H 1 2.015 0.01 . 1 . . . . 16 PRO HG# . 19485 1 141 . 1 1 16 16 PRO HG3 H 1 2.015 0.01 . 1 . . . . 16 PRO HG# . 19485 1 142 . 1 1 16 16 PRO HD2 H 1 3.807 0.01 . 2 . . . . 16 PRO HD2 . 19485 1 143 . 1 1 16 16 PRO HD3 H 1 3.722 0.01 . 2 . . . . 16 PRO HD3 . 19485 1 144 . 1 1 16 16 PRO C C 13 174.666 0.10 . 1 . . . . 16 PRO CO . 19485 1 145 . 1 1 16 16 PRO CA C 13 61.802 0.10 . 1 . . . . 16 PRO CA . 19485 1 146 . 1 1 16 16 PRO CB C 13 29.909 0.10 . 1 . . . . 16 PRO CB . 19485 1 147 . 1 1 16 16 PRO CD C 13 48.935 0.10 . 1 . . . . 16 PRO CD . 19485 1 148 . 1 1 17 17 ASP H H 1 8.374 0.01 . 1 . . . . 17 ASP NH . 19485 1 149 . 1 1 17 17 ASP HA H 1 4.528 0.01 . 1 . . . . 17 ASP HA . 19485 1 150 . 1 1 17 17 ASP HB2 H 1 2.688 0.01 . 2 . . . . 17 ASP HB2 . 19485 1 151 . 1 1 17 17 ASP HB3 H 1 2.652 0.01 . 2 . . . . 17 ASP HB3 . 19485 1 152 . 1 1 17 17 ASP C C 13 174.597 0.10 . 1 . . . . 17 ASP CO . 19485 1 153 . 1 1 17 17 ASP CA C 13 52.639 0.10 . 1 . . . . 17 ASP CA . 19485 1 154 . 1 1 17 17 ASP CB C 13 38.726 0.10 . 1 . . . . 17 ASP CB . 19485 1 155 . 1 1 17 17 ASP N N 15 119.108 0.10 . 1 . . . . 17 ASP N . 19485 1 156 . 1 1 18 18 LEU H H 1 7.999 0.01 . 1 . . . . 18 LEU NH . 19485 1 157 . 1 1 18 18 LEU HA H 1 4.179 0.01 . 1 . . . . 18 LEU HA . 19485 1 158 . 1 1 18 18 LEU HB2 H 1 1.705 0.01 . 2 . . . . 18 LEU HB2 . 19485 1 159 . 1 1 18 18 LEU HB3 H 1 1.618 0.01 . 2 . . . . 18 LEU HB3 . 19485 1 160 . 1 1 18 18 LEU HG H 1 0.927 0.01 . 1 . . . . 18 LEU HG . 19485 1 161 . 1 1 18 18 LEU HD11 H 1 0.906 0.01 . 2 . . . . 18 LEU HD1 . 19485 1 162 . 1 1 18 18 LEU HD12 H 1 0.906 0.01 . 2 . . . . 18 LEU HD1 . 19485 1 163 . 1 1 18 18 LEU HD13 H 1 0.906 0.01 . 2 . . . . 18 LEU HD1 . 19485 1 164 . 1 1 18 18 LEU HD21 H 1 0.859 0.01 . 2 . . . . 18 LEU HD2 . 19485 1 165 . 1 1 18 18 LEU HD22 H 1 0.859 0.01 . 2 . . . . 18 LEU HD2 . 19485 1 166 . 1 1 18 18 LEU HD23 H 1 0.859 0.01 . 2 . . . . 18 LEU HD2 . 19485 1 167 . 1 1 18 18 LEU C C 13 176.256 0.10 . 1 . . . . 18 LEU CO . 19485 1 168 . 1 1 18 18 LEU CA C 13 54.577 0.10 . 1 . . . . 18 LEU CA . 19485 1 169 . 1 1 18 18 LEU CB C 13 40.017 0.10 . 1 . . . . 18 LEU CB . 19485 1 170 . 1 1 18 18 LEU CG C 13 24.978 0.10 . 1 . . . . 18 LEU CG . 19485 1 171 . 1 1 18 18 LEU CD1 C 13 21.416 0.10 . 1 . . . . 18 LEU CD# . 19485 1 172 . 1 1 18 18 LEU CD2 C 13 21.416 0.10 . 1 . . . . 18 LEU CD# . 19485 1 173 . 1 1 18 18 LEU N N 15 121.882 0.10 . 1 . . . . 18 LEU N . 19485 1 174 . 1 1 19 19 GLU H H 1 8.227 0.01 . 1 . . . . 19 GLU NH . 19485 1 175 . 1 1 19 19 GLU HA H 1 4.131 0.01 . 1 . . . . 19 GLU HA . 19485 1 176 . 1 1 19 19 GLU HB2 H 1 2.029 0.01 . 1 . . . . 19 GLU HB# . 19485 1 177 . 1 1 19 19 GLU HB3 H 1 2.029 0.01 . 1 . . . . 19 GLU HB# . 19485 1 178 . 1 1 19 19 GLU HG2 H 1 2.278 0.01 . 1 . . . . 19 GLU HG# . 19485 1 179 . 1 1 19 19 GLU HG3 H 1 2.278 0.01 . 1 . . . . 19 GLU HG# . 19485 1 180 . 1 1 19 19 GLU C C 13 175.786 0.10 . 1 . . . . 19 GLU CO . 19485 1 181 . 1 1 19 19 GLU CA C 13 56.034 0.10 . 1 . . . . 19 GLU CA . 19485 1 182 . 1 1 19 19 GLU CB C 13 27.304 0.10 . 1 . . . . 19 GLU CB . 19485 1 183 . 1 1 19 19 GLU N N 15 119.999 0.10 . 1 . . . . 19 GLU N . 19485 1 184 . 1 1 20 20 GLU H H 1 8.23 0.01 . 1 . . . . 20 GLU NH . 19485 1 185 . 1 1 20 20 GLU HA H 1 4.126 0.01 . 1 . . . . 20 GLU HA . 19485 1 186 . 1 1 20 20 GLU HB2 H 1 2.061 0.01 . 1 . . . . 20 GLU HB# . 19485 1 187 . 1 1 20 20 GLU HB3 H 1 2.061 0.01 . 1 . . . . 20 GLU HB# . 19485 1 188 . 1 1 20 20 GLU HG2 H 1 2.237 0.01 . 1 . . . . 20 GLU HG# . 19485 1 189 . 1 1 20 20 GLU HG3 H 1 2.237 0.01 . 1 . . . . 20 GLU HG# . 19485 1 190 . 1 1 20 20 GLU C C 13 175.662 0.10 . 1 . . . . 20 GLU CO . 19485 1 191 . 1 1 20 20 GLU CA C 13 56.223 0.10 . 1 . . . . 20 GLU CA . 19485 1 192 . 1 1 20 20 GLU CB C 13 27.426 0.10 . 1 . . . . 20 GLU CB . 19485 1 193 . 1 1 20 20 GLU N N 15 121.052 0.10 . 1 . . . . 20 GLU N . 19485 1 194 . 1 1 21 21 LYS H H 1 8.029 0.01 . 1 . . . . 21 LYS NH . 19485 1 195 . 1 1 21 21 LYS HA H 1 4.089 0.01 . 1 . . . . 21 LYS HA . 19485 1 196 . 1 1 21 21 LYS HB2 H 1 1.855 0.01 . 1 . . . . 21 LYS HB# . 19485 1 197 . 1 1 21 21 LYS HB3 H 1 1.855 0.01 . 1 . . . . 21 LYS HB# . 19485 1 198 . 1 1 21 21 LYS HG2 H 1 1.554 0.01 . 2 . . . . 21 LYS HG2 . 19485 1 199 . 1 1 21 21 LYS HG3 H 1 1.391 0.01 . 2 . . . . 21 LYS HG3 . 19485 1 200 . 1 1 21 21 LYS HD2 H 1 1.648 0.01 . 2 . . . . 21 LYS HD2 . 19485 1 201 . 1 1 21 21 LYS HD3 H 1 1.506 0.01 . 2 . . . . 21 LYS HD3 . 19485 1 202 . 1 1 21 21 LYS HE2 H 1 2.956 0.01 . 1 . . . . 21 LYS HE# . 19485 1 203 . 1 1 21 21 LYS HE3 H 1 2.956 0.01 . 1 . . . . 21 LYS HE# . 19485 1 204 . 1 1 21 21 LYS C C 13 176.029 0.10 . 1 . . . . 21 LYS CO . 19485 1 205 . 1 1 21 21 LYS CA C 13 56.241 0.10 . 1 . . . . 21 LYS CA . 19485 1 206 . 1 1 21 21 LYS CB C 13 30.444 0.10 . 1 . . . . 21 LYS CB . 19485 1 207 . 1 1 21 21 LYS CG C 13 23.024 0.10 . 1 . . . . 21 LYS CG . 19485 1 208 . 1 1 21 21 LYS CD C 13 27.042 0.10 . 1 . . . . 21 LYS CD . 19485 1 209 . 1 1 21 21 LYS CE C 13 40.133 0.10 . 1 . . . . 21 LYS CE . 19485 1 210 . 1 1 21 21 LYS N N 15 119.979 0.10 . 1 . . . . 21 LYS N . 19485 1 211 . 1 1 22 22 ARG H H 1 8.1 0.01 . 1 . . . . 22 ARG NH . 19485 1 212 . 1 1 22 22 ARG HA H 1 4.073 0.01 . 1 . . . . 22 ARG HA . 19485 1 213 . 1 1 22 22 ARG HB2 H 1 1.865 0.01 . 2 . . . . 22 ARG HB . 19485 1 214 . 1 1 22 22 ARG HB3 H 1 1.865 0.01 . 2 . . . . 22 ARG HB . 19485 1 215 . 1 1 22 22 ARG HG2 H 1 1.728 0.01 . 2 . . . . 22 ARG HG2 . 19485 1 216 . 1 1 22 22 ARG HG3 H 1 1.604 0.01 . 2 . . . . 22 ARG HG3 . 19485 1 217 . 1 1 22 22 ARG HD2 H 1 3.168 0.01 . 1 . . . . 22 ARG HD# . 19485 1 218 . 1 1 22 22 ARG HD3 H 1 3.168 0.01 . 1 . . . . 22 ARG HD# . 19485 1 219 . 1 1 22 22 ARG C C 13 175.811 0.10 . 1 . . . . 22 ARG CO . 19485 1 220 . 1 1 22 22 ARG CA C 13 56.34 0.10 . 1 . . . . 22 ARG CA . 19485 1 221 . 1 1 22 22 ARG CB C 13 28.251 0.10 . 1 . . . . 22 ARG CB . 19485 1 222 . 1 1 22 22 ARG CG C 13 25.151 0.10 . 1 . . . . 22 ARG CG . 19485 1 223 . 1 1 22 22 ARG CD C 13 41.39 0.10 . 1 . . . . 22 ARG CD . 19485 1 224 . 1 1 22 22 ARG N N 15 119.623 0.10 . 1 . . . . 22 ARG N . 19485 1 225 . 1 1 23 23 ALA H H 1 8.161 0.01 . 1 . . . . 23 ALA NH . 19485 1 226 . 1 1 23 23 ALA HA H 1 4.192 0.01 . 1 . . . . 23 ALA HA . 19485 1 227 . 1 1 23 23 ALA HB1 H 1 1.453 0.01 . 1 . . . . 23 ALA HB . 19485 1 228 . 1 1 23 23 ALA HB2 H 1 1.453 0.01 . 1 . . . . 23 ALA HB . 19485 1 229 . 1 1 23 23 ALA HB3 H 1 1.453 0.01 . 1 . . . . 23 ALA HB . 19485 1 230 . 1 1 23 23 ALA C C 13 177.268 0.10 . 1 . . . . 23 ALA CO . 19485 1 231 . 1 1 23 23 ALA CA C 13 52.147 0.10 . 1 . . . . 23 ALA CA . 19485 1 232 . 1 1 23 23 ALA CB C 13 16.39 0.10 . 1 . . . . 23 ALA CB . 19485 1 233 . 1 1 23 23 ALA N N 15 123.248 0.10 . 1 . . . . 23 ALA N . 19485 1 234 . 1 1 24 24 LYS H H 1 8.056 0.01 . 1 . . . . 24 LYS NH . 19485 1 235 . 1 1 24 24 LYS HA H 1 4.168 0.01 . 1 . . . . 24 LYS HA . 19485 1 236 . 1 1 24 24 LYS HB2 H 1 1.862 0.01 . 1 . . . . 24 LYS HB# . 19485 1 237 . 1 1 24 24 LYS HB3 H 1 1.862 0.01 . 1 . . . . 24 LYS HB# . 19485 1 238 . 1 1 24 24 LYS HE2 H 1 2.962 0.01 . 1 . . . . 24 LYS HE# . 19485 1 239 . 1 1 24 24 LYS HE3 H 1 2.962 0.01 . 1 . . . . 24 LYS HE# . 19485 1 240 . 1 1 24 24 LYS C C 13 176.596 0.10 . 1 . . . . 24 LYS CO . 19485 1 241 . 1 1 24 24 LYS CA C 13 55.847 0.10 . 1 . . . . 24 LYS CA . 19485 1 242 . 1 1 24 24 LYS CB C 13 30.385 0.10 . 1 . . . . 24 LYS CB . 19485 1 243 . 1 1 24 24 LYS N N 15 119.013 0.10 . 1 . . . . 24 LYS N . 19485 1 244 . 1 1 25 25 LEU H H 1 7.997 0.01 . 1 . . . . 25 LEU NH . 19485 1 245 . 1 1 25 25 LEU HA H 1 4.192 0.01 . 1 . . . . 25 LEU HA . 19485 1 246 . 1 1 25 25 LEU HB2 H 1 1.776 0.01 . 2 . . . . 25 LEU HB2 . 19485 1 247 . 1 1 25 25 LEU HB3 H 1 1.569 0.01 . 2 . . . . 25 LEU HB3 . 19485 1 248 . 1 1 25 25 LEU HD11 H 1 0.891 0.01 . 2 . . . . 25 LEU HD1 . 19485 1 249 . 1 1 25 25 LEU HD12 H 1 0.891 0.01 . 2 . . . . 25 LEU HD1 . 19485 1 250 . 1 1 25 25 LEU HD13 H 1 0.891 0.01 . 2 . . . . 25 LEU HD1 . 19485 1 251 . 1 1 25 25 LEU HD21 H 1 0.86 0.01 . 2 . . . . 25 LEU HD2 . 19485 1 252 . 1 1 25 25 LEU HD22 H 1 0.86 0.01 . 2 . . . . 25 LEU HD2 . 19485 1 253 . 1 1 25 25 LEU HD23 H 1 0.86 0.01 . 2 . . . . 25 LEU HD2 . 19485 1 254 . 1 1 25 25 LEU C C 13 176.621 0.10 . 1 . . . . 25 LEU CO . 19485 1 255 . 1 1 25 25 LEU CA C 13 54.738 0.10 . 1 . . . . 25 LEU CA . 19485 1 256 . 1 1 25 25 LEU CB C 13 39.951 0.10 . 1 . . . . 25 LEU CB . 19485 1 257 . 1 1 25 25 LEU CD1 C 13 21.363 0.10 . 1 . . . . 25 LEU CD# . 19485 1 258 . 1 1 25 25 LEU CD2 C 13 21.363 0.10 . 1 . . . . 25 LEU CD# . 19485 1 259 . 1 1 25 25 LEU N N 15 121.673 0.10 . 1 . . . . 25 LEU N . 19485 1 260 . 1 1 26 26 ALA H H 1 8.054 0.01 . 1 . . . . 26 ALA NH . 19485 1 261 . 1 1 26 26 ALA HA H 1 4.208 0.01 . 1 . . . . 26 ALA HA . 19485 1 262 . 1 1 26 26 ALA HB1 H 1 1.451 0.01 . 1 . . . . 26 ALA HB . 19485 1 263 . 1 1 26 26 ALA HB2 H 1 1.451 0.01 . 1 . . . . 26 ALA HB . 19485 1 264 . 1 1 26 26 ALA HB3 H 1 1.451 0.01 . 1 . . . . 26 ALA HB . 19485 1 265 . 1 1 26 26 ALA C C 13 177.181 0.10 . 1 . . . . 26 ALA CO . 19485 1 266 . 1 1 26 26 ALA CA C 13 52.078 0.10 . 1 . . . . 26 ALA CA . 19485 1 267 . 1 1 26 26 ALA CB C 13 16.352 0.10 . 1 . . . . 26 ALA CB . 19485 1 268 . 1 1 26 26 ALA N N 15 123.283 0.10 . 1 . . . . 26 ALA N . 19485 1 269 . 1 1 27 27 GLU H H 1 8.128 0.01 . 1 . . . . 27 GLU NH . 19485 1 270 . 1 1 27 27 GLU HA H 1 4.126 0.01 . 1 . . . . 27 GLU HA . 19485 1 271 . 1 1 27 27 GLU HB2 H 1 2.072 0.01 . 1 . . . . 27 GLU HB# . 19485 1 272 . 1 1 27 27 GLU HB3 H 1 2.072 0.01 . 1 . . . . 27 GLU HB# . 19485 1 273 . 1 1 27 27 GLU HG2 H 1 2.355 0.01 . 2 . . . . 27 GLU HG2 . 19485 1 274 . 1 1 27 27 GLU HG3 H 1 2.252 0.01 . 2 . . . . 27 GLU HG3 . 19485 1 275 . 1 1 27 27 GLU C C 13 175.811 0.10 . 1 . . . . 27 GLU CO . 19485 1 276 . 1 1 27 27 GLU CA C 13 56.201 0.10 . 1 . . . . 27 GLU CA . 19485 1 277 . 1 1 27 27 GLU CB C 13 27.639 0.10 . 1 . . . . 27 GLU CB . 19485 1 278 . 1 1 27 27 GLU CG C 13 34.051 0.10 . 1 . . . . 27 GLU CG . 19485 1 279 . 1 1 27 27 GLU N N 15 119.383 0.10 . 1 . . . . 27 GLU N . 19485 1 280 . 1 1 28 28 ALA H H 1 7.968 0.01 . 1 . . . . 28 ALA NH . 19485 1 281 . 1 1 28 28 ALA HA H 1 4.153 0.01 . 1 . . . . 28 ALA HA . 19485 1 282 . 1 1 28 28 ALA HB1 H 1 1.458 0.01 . 1 . . . . 28 ALA HB . 19485 1 283 . 1 1 28 28 ALA HB2 H 1 1.458 0.01 . 1 . . . . 28 ALA HB . 19485 1 284 . 1 1 28 28 ALA HB3 H 1 1.458 0.01 . 1 . . . . 28 ALA HB . 19485 1 285 . 1 1 28 28 ALA C C 13 177.088 0.10 . 1 . . . . 28 ALA CO . 19485 1 286 . 1 1 28 28 ALA CA C 13 52.133 0.10 . 1 . . . . 28 ALA CA . 19485 1 287 . 1 1 28 28 ALA CB C 13 16.359 0.10 . 1 . . . . 28 ALA CB . 19485 1 288 . 1 1 28 28 ALA N N 15 122.302 0.10 . 1 . . . . 28 ALA N . 19485 1 289 . 1 1 29 29 ALA H H 1 7.976 0.01 . 1 . . . . 29 ALA NH . 19485 1 290 . 1 1 29 29 ALA HA H 1 4.138 0.01 . 1 . . . . 29 ALA HA . 19485 1 291 . 1 1 29 29 ALA HB1 H 1 1.463 0.01 . 1 . . . . 29 ALA HB . 19485 1 292 . 1 1 29 29 ALA HB2 H 1 1.463 0.01 . 1 . . . . 29 ALA HB . 19485 1 293 . 1 1 29 29 ALA HB3 H 1 1.463 0.01 . 1 . . . . 29 ALA HB . 19485 1 294 . 1 1 29 29 ALA C C 13 177.323 0.10 . 1 . . . . 29 ALA CO . 19485 1 295 . 1 1 29 29 ALA CA C 13 52.291 0.10 . 1 . . . . 29 ALA CA . 19485 1 296 . 1 1 29 29 ALA CB C 13 16.363 0.10 . 1 . . . . 29 ALA CB . 19485 1 297 . 1 1 29 29 ALA N N 15 121.367 0.10 . 1 . . . . 29 ALA N . 19485 1 298 . 1 1 30 30 GLU H H 1 8.091 0.01 . 1 . . . . 30 GLU NH . 19485 1 299 . 1 1 30 30 GLU HA H 1 4.122 0.01 . 1 . . . . 30 GLU HA . 19485 1 300 . 1 1 30 30 GLU HB2 H 1 2.066 0.01 . 1 . . . . 30 GLU HB# . 19485 1 301 . 1 1 30 30 GLU HB3 H 1 2.066 0.01 . 1 . . . . 30 GLU HB# . 19485 1 302 . 1 1 30 30 GLU C C 13 175.82 0.10 . 1 . . . . 30 GLU CO . 19485 1 303 . 1 1 30 30 GLU CA C 13 56.253 0.10 . 1 . . . . 30 GLU CA . 19485 1 304 . 1 1 30 30 GLU CB C 13 27.426 0.10 . 1 . . . . 30 GLU CB . 19485 1 305 . 1 1 30 30 GLU N N 15 119.072 0.10 . 1 . . . . 30 GLU N . 19485 1 306 . 1 1 31 31 ARG H H 1 8.034 0.01 . 1 . . . . 31 ARG NH . 19485 1 307 . 1 1 31 31 ARG HA H 1 4.119 0.01 . 1 . . . . 31 ARG HA . 19485 1 308 . 1 1 31 31 ARG HB2 H 1 1.872 0.01 . 2 . . . . 31 ARG HB . 19485 1 309 . 1 1 31 31 ARG HB3 H 1 1.872 0.01 . 2 . . . . 31 ARG HB . 19485 1 310 . 1 1 31 31 ARG HG2 H 1 1.721 0.01 . 2 . . . . 31 ARG HG2 . 19485 1 311 . 1 1 31 31 ARG HG3 H 1 1.599 0.01 . 2 . . . . 31 ARG HG3 . 19485 1 312 . 1 1 31 31 ARG HD2 H 1 3.187 0.01 . 1 . . . . 31 ARG HD# . 19485 1 313 . 1 1 31 31 ARG HD3 H 1 3.187 0.01 . 1 . . . . 31 ARG HD# . 19485 1 314 . 1 1 31 31 ARG C C 13 175.633 0.10 . 1 . . . . 31 ARG CO . 19485 1 315 . 1 1 31 31 ARG CA C 13 56.137 0.10 . 1 . . . . 31 ARG CA . 19485 1 316 . 1 1 31 31 ARG CB C 13 28.227 0.10 . 1 . . . . 31 ARG CB . 19485 1 317 . 1 1 31 31 ARG CG C 13 25.283 0.10 . 1 . . . . 31 ARG CG . 19485 1 318 . 1 1 31 31 ARG CD C 13 41.408 0.10 . 1 . . . . 31 ARG CD . 19485 1 319 . 1 1 31 31 ARG N N 15 119.99 0.10 . 1 . . . . 31 ARG N . 19485 1 320 . 1 1 32 32 ARG H H 1 7.995 0.01 . 1 . . . . 32 ARG NH . 19485 1 321 . 1 1 32 32 ARG HA H 1 4.178 0.01 . 1 . . . . 32 ARG HA . 19485 1 322 . 1 1 32 32 ARG HB2 H 1 1.872 0.01 . 2 . . . . 32 ARG HB . 19485 1 323 . 1 1 32 32 ARG HB3 H 1 1.872 0.01 . 2 . . . . 32 ARG HB . 19485 1 324 . 1 1 32 32 ARG HG2 H 1 1.731 0.01 . 2 . . . . 32 ARG HG2 . 19485 1 325 . 1 1 32 32 ARG HG3 H 1 1.62 0.01 . 2 . . . . 32 ARG HG3 . 19485 1 326 . 1 1 32 32 ARG HD2 H 1 3.202 0.01 . 1 . . . . 32 ARG HD# . 19485 1 327 . 1 1 32 32 ARG HD3 H 1 3.202 0.01 . 1 . . . . 32 ARG HD# . 19485 1 328 . 1 1 32 32 ARG C C 13 175.814 0.10 . 1 . . . . 32 ARG CO . 19485 1 329 . 1 1 32 32 ARG CA C 13 55.992 0.10 . 1 . . . . 32 ARG CA . 19485 1 330 . 1 1 32 32 ARG CB C 13 28.274 0.10 . 1 . . . . 32 ARG CB . 19485 1 331 . 1 1 32 32 ARG CG C 13 25.327 0.10 . 1 . . . . 32 ARG CG . 19485 1 332 . 1 1 32 32 ARG CD C 13 41.251 0.10 . 1 . . . . 32 ARG CD . 19485 1 333 . 1 1 32 32 ARG N N 15 119.385 0.10 . 1 . . . . 32 ARG N . 19485 1 334 . 1 1 33 33 GLN H H 1 8.058 0.01 . 1 . . . . 33 GLN NH . 19485 1 335 . 1 1 33 33 GLN HA H 1 4.176 0.01 . 1 . . . . 33 GLN HA . 19485 1 336 . 1 1 33 33 GLN HB2 H 1 2.127 0.01 . 2 . . . . 33 GLN HB2 . 19485 1 337 . 1 1 33 33 GLN HB3 H 1 2.055 0.01 . 2 . . . . 33 GLN HB3 . 19485 1 338 . 1 1 33 33 GLN HG2 H 1 2.425 0.01 . 1 . . . . 33 GLN HG# . 19485 1 339 . 1 1 33 33 GLN HG3 H 1 2.425 0.01 . 1 . . . . 33 GLN HG# . 19485 1 340 . 1 1 33 33 GLN C C 13 175.259 0.10 . 1 . . . . 33 GLN CO . 19485 1 341 . 1 1 33 33 GLN CA C 13 55.548 0.10 . 1 . . . . 33 GLN CA . 19485 1 342 . 1 1 33 33 GLN CB C 13 26.789 0.10 . 1 . . . . 33 GLN CB . 19485 1 343 . 1 1 33 33 GLN N N 15 119.781 0.10 . 1 . . . . 33 GLN N . 19485 1 344 . 1 1 34 34 LYS H H 1 8.137 0.01 . 1 . . . . 34 LYS NH . 19485 1 345 . 1 1 34 34 LYS HA H 1 4.154 0.01 . 1 . . . . 34 LYS HA . 19485 1 346 . 1 1 34 34 LYS HB2 H 1 1.858 0.01 . 1 . . . . 34 LYS HB# . 19485 1 347 . 1 1 34 34 LYS HB3 H 1 1.858 0.01 . 1 . . . . 34 LYS HB# . 19485 1 348 . 1 1 34 34 LYS HG2 H 1 1.429 0.01 . 1 . . . . 34 LYS HG# . 19485 1 349 . 1 1 34 34 LYS HG3 H 1 1.429 0.01 . 1 . . . . 34 LYS HG# . 19485 1 350 . 1 1 34 34 LYS HD2 H 1 1.53 0.01 . 1 . . . . 34 LYS HD# . 19485 1 351 . 1 1 34 34 LYS HD3 H 1 1.53 0.01 . 1 . . . . 34 LYS HD# . 19485 1 352 . 1 1 34 34 LYS HE2 H 1 2.961 0.01 . 1 . . . . 34 LYS HE# . 19485 1 353 . 1 1 34 34 LYS HE3 H 1 2.961 0.01 . 1 . . . . 34 LYS HE# . 19485 1 354 . 1 1 34 34 LYS C C 13 175.949 0.10 . 1 . . . . 34 LYS CO . 19485 1 355 . 1 1 34 34 LYS CA C 13 55.877 0.10 . 1 . . . . 34 LYS CA . 19485 1 356 . 1 1 34 34 LYS CB C 13 30.615 0.10 . 1 . . . . 34 LYS CB . 19485 1 357 . 1 1 34 34 LYS N N 15 120.902 0.10 . 1 . . . . 34 LYS N . 19485 1 358 . 1 1 35 35 GLU H H 1 8.215 0.01 . 1 . . . . 35 GLU NH . 19485 1 359 . 1 1 35 35 GLU HA H 1 4.139 0.01 . 1 . . . . 35 GLU HA . 19485 1 360 . 1 1 35 35 GLU HB2 H 1 2.03 0.01 . 1 . . . . 35 GLU HB# . 19485 1 361 . 1 1 35 35 GLU HB3 H 1 2.03 0.01 . 1 . . . . 35 GLU HB# . 19485 1 362 . 1 1 35 35 GLU HG2 H 1 2.349 0.01 . 2 . . . . 35 GLU HG2 . 19485 1 363 . 1 1 35 35 GLU HG3 H 1 2.256 0.01 . 2 . . . . 35 GLU HG3 . 19485 1 364 . 1 1 35 35 GLU C C 13 175.343 0.10 . 1 . . . . 35 GLU CO . 19485 1 365 . 1 1 35 35 GLU CA C 13 55.724 0.10 . 1 . . . . 35 GLU CA . 19485 1 366 . 1 1 35 35 GLU CB C 13 27.635 0.10 . 1 . . . . 35 GLU CB . 19485 1 367 . 1 1 35 35 GLU CG C 13 34.174 0.10 . 1 . . . . 35 GLU CG . 19485 1 368 . 1 1 35 35 GLU N N 15 120.354 0.10 . 1 . . . . 35 GLU N . 19485 1 369 . 1 1 36 36 ALA H H 1 8.048 0.01 . 1 . . . . 36 ALA NH . 19485 1 370 . 1 1 36 36 ALA HA H 1 4.176 0.01 . 1 . . . . 36 ALA HA . 19485 1 371 . 1 1 36 36 ALA HB1 H 1 1.428 0.01 . 1 . . . . 36 ALA HB . 19485 1 372 . 1 1 36 36 ALA HB2 H 1 1.428 0.01 . 1 . . . . 36 ALA HB . 19485 1 373 . 1 1 36 36 ALA HB3 H 1 1.428 0.01 . 1 . . . . 36 ALA HB . 19485 1 374 . 1 1 36 36 ALA C C 13 176.404 0.10 . 1 . . . . 36 ALA CO . 19485 1 375 . 1 1 36 36 ALA CA C 13 51.54 0.10 . 1 . . . . 36 ALA CA . 19485 1 376 . 1 1 36 36 ALA CB C 13 16.558 0.10 . 1 . . . . 36 ALA CB . 19485 1 377 . 1 1 36 36 ALA N N 15 123.13 0.10 . 1 . . . . 36 ALA N . 19485 1 378 . 1 1 37 37 ALA H H 1 8.024 0.01 . 1 . . . . 37 ALA NH . 19485 1 379 . 1 1 37 37 ALA HA H 1 4.258 0.01 . 1 . . . . 37 ALA HA . 19485 1 380 . 1 1 37 37 ALA HB1 H 1 1.433 0.01 . 1 . . . . 37 ALA HB . 19485 1 381 . 1 1 37 37 ALA HB2 H 1 1.433 0.01 . 1 . . . . 37 ALA HB . 19485 1 382 . 1 1 37 37 ALA HB3 H 1 1.433 0.01 . 1 . . . . 37 ALA HB . 19485 1 383 . 1 1 37 37 ALA C C 13 176.461 0.10 . 1 . . . . 37 ALA CO . 19485 1 384 . 1 1 37 37 ALA CA C 13 51.274 0.10 . 1 . . . . 37 ALA CA . 19485 1 385 . 1 1 37 37 ALA CB C 13 16.714 0.10 . 1 . . . . 37 ALA CB . 19485 1 386 . 1 1 37 37 ALA N N 15 121.237 0.10 . 1 . . . . 37 ALA N . 19485 1 387 . 1 1 38 38 SER H H 1 7.984 0.01 . 1 . . . . 38 SER NH . 19485 1 388 . 1 1 38 38 SER HA H 1 4.379 0.01 . 1 . . . . 38 SER HA . 19485 1 389 . 1 1 38 38 SER HB2 H 1 3.917 0.01 . 1 . . . . 38 SER HB# . 19485 1 390 . 1 1 38 38 SER HB3 H 1 3.917 0.01 . 1 . . . . 38 SER HB# . 19485 1 391 . 1 1 38 38 SER C C 13 172.715 0.10 . 1 . . . . 38 SER CO . 19485 1 392 . 1 1 38 38 SER CA C 13 57.036 0.10 . 1 . . . . 38 SER CA . 19485 1 393 . 1 1 38 38 SER CB C 13 61.685 0.10 . 1 . . . . 38 SER CB . 19485 1 394 . 1 1 38 38 SER N N 15 113.783 0.10 . 1 . . . . 38 SER N . 19485 1 395 . 1 1 39 39 ARG H H 1 8.043 0.01 . 1 . . . . 39 ARG NH . 19485 1 396 . 1 1 39 39 ARG HA H 1 4.317 0.01 . 1 . . . . 39 ARG HA . 19485 1 397 . 1 1 39 39 ARG HB2 H 1 1.917 0.01 . 2 . . . . 39 ARG HB2 . 19485 1 398 . 1 1 39 39 ARG HB3 H 1 1.797 0.01 . 2 . . . . 39 ARG HB3 . 19485 1 399 . 1 1 39 39 ARG HG2 H 1 1.774 0.01 . 2 . . . . 39 ARG HG2 . 19485 1 400 . 1 1 39 39 ARG HG3 H 1 1.683 0.01 . 2 . . . . 39 ARG HG3 . 19485 1 401 . 1 1 39 39 ARG HD2 H 1 3.18 0.01 . 1 . . . . 39 ARG HD# . 19485 1 402 . 1 1 39 39 ARG HD3 H 1 3.18 0.01 . 1 . . . . 39 ARG HD# . 19485 1 403 . 1 1 39 39 ARG C C 13 174.624 0.10 . 1 . . . . 39 ARG CO . 19485 1 404 . 1 1 39 39 ARG CA C 13 54.543 0.10 . 1 . . . . 39 ARG CA . 19485 1 405 . 1 1 39 39 ARG CB C 13 28.597 0.10 . 1 . . . . 39 ARG CB . 19485 1 406 . 1 1 39 39 ARG CG C 13 24.99 0.10 . 1 . . . . 39 ARG CG . 19485 1 407 . 1 1 39 39 ARG CD C 13 41.328 0.10 . 1 . . . . 39 ARG CD . 19485 1 408 . 1 1 39 39 ARG N N 15 121.628 0.10 . 1 . . . . 39 ARG N . 19485 1 409 . 1 1 40 40 GLY H H 1 8.225 0.01 . 1 . . . . 40 GLY NH . 19485 1 410 . 1 1 40 40 GLY HA2 H 1 3.928 0.01 . 2 . . . . 40 GLY HA . 19485 1 411 . 1 1 40 40 GLY HA3 H 1 3.928 0.01 . 2 . . . . 40 GLY HA . 19485 1 412 . 1 1 40 40 GLY C C 13 172.005 0.10 . 1 . . . . 40 GLY CO . 19485 1 413 . 1 1 40 40 GLY CA C 13 43.471 0.10 . 1 . . . . 40 GLY CA . 19485 1 414 . 1 1 40 40 GLY N N 15 108.702 0.10 . 1 . . . . 40 GLY N . 19485 1 415 . 1 1 41 41 ILE H H 1 7.859 0.01 . 1 . . . . 41 ILE NH . 19485 1 416 . 1 1 41 41 ILE HA H 1 4.121 0.01 . 1 . . . . 41 ILE HA . 19485 1 417 . 1 1 41 41 ILE HB H 1 1.846 0.01 . 1 . . . . 41 ILE HB . 19485 1 418 . 1 1 41 41 ILE HG12 H 1 1.435 0.01 . 2 . . . . 41 ILE HG12 . 19485 1 419 . 1 1 41 41 ILE HG13 H 1 1.153 0.01 . 2 . . . . 41 ILE HG13 . 19485 1 420 . 1 1 41 41 ILE HG21 H 1 0.965 0.01 . 1 . . . . 41 ILE HG2 . 19485 1 421 . 1 1 41 41 ILE HG22 H 1 0.965 0.01 . 1 . . . . 41 ILE HG2 . 19485 1 422 . 1 1 41 41 ILE HG23 H 1 0.965 0.01 . 1 . . . . 41 ILE HG2 . 19485 1 423 . 1 1 41 41 ILE HD11 H 1 0.858 0.01 . 1 . . . . 41 ILE HD1 . 19485 1 424 . 1 1 41 41 ILE HD12 H 1 0.858 0.01 . 1 . . . . 41 ILE HD1 . 19485 1 425 . 1 1 41 41 ILE HD13 H 1 0.858 0.01 . 1 . . . . 41 ILE HD1 . 19485 1 426 . 1 1 41 41 ILE C C 13 174.08 0.10 . 1 . . . . 41 ILE CO . 19485 1 427 . 1 1 41 41 ILE CA C 13 59.397 0.10 . 1 . . . . 41 ILE CA . 19485 1 428 . 1 1 41 41 ILE CB C 13 36.526 0.10 . 1 . . . . 41 ILE CB . 19485 1 429 . 1 1 41 41 ILE CG1 C 13 25.333 0.10 . 1 . . . . 41 ILE CG1 . 19485 1 430 . 1 1 41 41 ILE CG2 C 13 15.456 0.10 . 1 . . . . 41 ILE CG2 . 19485 1 431 . 1 1 41 41 ILE N N 15 119.524 0.10 . 1 . . . . 41 ILE N . 19485 1 432 . 1 1 42 42 LEU H H 1 8.148 0.01 . 1 . . . . 42 LEU NH . 19485 1 433 . 1 1 42 42 LEU HA H 1 4.321 0.01 . 1 . . . . 42 LEU HA . 19485 1 434 . 1 1 42 42 LEU HB2 H 1 1.607 0.01 . 2 . . . . 42 LEU HB2 . 19485 1 435 . 1 1 42 42 LEU HB3 H 1 1.56 0.01 . 2 . . . . 42 LEU HB3 . 19485 1 436 . 1 1 42 42 LEU HD11 H 1 0.887 0.01 . 2 . . . . 42 LEU HD1 . 19485 1 437 . 1 1 42 42 LEU HD12 H 1 0.887 0.01 . 2 . . . . 42 LEU HD1 . 19485 1 438 . 1 1 42 42 LEU HD13 H 1 0.887 0.01 . 2 . . . . 42 LEU HD1 . 19485 1 439 . 1 1 42 42 LEU HD21 H 1 0.833 0.01 . 2 . . . . 42 LEU HD2 . 19485 1 440 . 1 1 42 42 LEU HD22 H 1 0.833 0.01 . 2 . . . . 42 LEU HD2 . 19485 1 441 . 1 1 42 42 LEU HD23 H 1 0.833 0.01 . 2 . . . . 42 LEU HD2 . 19485 1 442 . 1 1 42 42 LEU C C 13 174.788 0.10 . 1 . . . . 42 LEU CO . 19485 1 443 . 1 1 42 42 LEU CA C 13 53.197 0.10 . 1 . . . . 42 LEU CA . 19485 1 444 . 1 1 42 42 LEU CB C 13 40.383 0.10 . 1 . . . . 42 LEU CB . 19485 1 445 . 1 1 42 42 LEU CG C 13 24.947 0.10 . 1 . . . . 42 LEU CG . 19485 1 446 . 1 1 42 42 LEU N N 15 124.717 0.10 . 1 . . . . 42 LEU N . 19485 1 447 . 1 1 43 43 ASP H H 1 8.184 0.01 . 1 . . . . 43 ASP NH . 19485 1 448 . 1 1 43 43 ASP HA H 1 4.608 0.01 . 1 . . . . 43 ASP HA . 19485 1 449 . 1 1 43 43 ASP HB2 H 1 2.71 0.01 . 2 . . . . 43 ASP HB2 . 19485 1 450 . 1 1 43 43 ASP HB3 H 1 2.597 0.01 . 2 . . . . 43 ASP HB3 . 19485 1 451 . 1 1 43 43 ASP C C 13 174.202 0.10 . 1 . . . . 43 ASP CO . 19485 1 452 . 1 1 43 43 ASP CA C 13 52.196 0.10 . 1 . . . . 43 ASP CA . 19485 1 453 . 1 1 43 43 ASP CB C 13 38.956 0.10 . 1 . . . . 43 ASP CB . 19485 1 454 . 1 1 43 43 ASP N N 15 121.348 0.10 . 1 . . . . 43 ASP N . 19485 1 455 . 1 1 44 44 VAL H H 1 7.976 0.01 . 1 . . . . 44 VAL NH . 19485 1 456 . 1 1 44 44 VAL HA H 1 4.02 0.01 . 1 . . . . 44 VAL HA . 19485 1 457 . 1 1 44 44 VAL HB H 1 2.109 0.01 . 1 . . . . 44 VAL HB . 19485 1 458 . 1 1 44 44 VAL HG11 H 1 0.923 0.01 . 1 . . . . 44 VAL HG# . 19485 1 459 . 1 1 44 44 VAL HG12 H 1 0.923 0.01 . 1 . . . . 44 VAL HG# . 19485 1 460 . 1 1 44 44 VAL HG13 H 1 0.923 0.01 . 1 . . . . 44 VAL HG# . 19485 1 461 . 1 1 44 44 VAL HG21 H 1 0.923 0.01 . 1 . . . . 44 VAL HG# . 19485 1 462 . 1 1 44 44 VAL HG22 H 1 0.923 0.01 . 1 . . . . 44 VAL HG# . 19485 1 463 . 1 1 44 44 VAL HG23 H 1 0.923 0.01 . 1 . . . . 44 VAL HG# . 19485 1 464 . 1 1 44 44 VAL C C 13 174.443 0.10 . 1 . . . . 44 VAL CO . 19485 1 465 . 1 1 44 44 VAL CA C 13 61.001 0.10 . 1 . . . . 44 VAL CA . 19485 1 466 . 1 1 44 44 VAL CB C 13 30.369 0.10 . 1 . . . . 44 VAL CB . 19485 1 467 . 1 1 44 44 VAL CG1 C 13 18.914 0.10 . 2 . . . . 44 VAL CG1 . 19485 1 468 . 1 1 44 44 VAL N N 15 119.781 0.10 . 1 . . . . 44 VAL N . 19485 1 469 . 1 1 45 45 GLN H H 1 8.334 0.01 . 1 . . . . 45 GLN NH . 19485 1 470 . 1 1 45 45 GLN HA H 1 4.271 0.01 . 1 . . . . 45 GLN HA . 19485 1 471 . 1 1 45 45 GLN HB2 H 1 2.087 0.01 . 2 . . . . 45 GLN HB2 . 19485 1 472 . 1 1 45 45 GLN HB3 H 1 2.009 0.01 . 2 . . . . 45 GLN HB3 . 19485 1 473 . 1 1 45 45 GLN HG2 H 1 2.366 0.01 . 1 . . . . 45 GLN HG# . 19485 1 474 . 1 1 45 45 GLN HG3 H 1 2.366 0.01 . 1 . . . . 45 GLN HG# . 19485 1 475 . 1 1 45 45 GLN C C 13 174.415 0.10 . 1 . . . . 45 GLN CO . 19485 1 476 . 1 1 45 45 GLN CA C 13 54.607 0.10 . 1 . . . . 45 GLN CA . 19485 1 477 . 1 1 45 45 GLN CB C 13 27.184 0.10 . 1 . . . . 45 GLN CB . 19485 1 478 . 1 1 45 45 GLN CG C 13 31.861 0.10 . 1 . . . . 45 GLN CG . 19485 1 479 . 1 1 45 45 GLN N N 15 122.018 0.10 . 1 . . . . 45 GLN N . 19485 1 480 . 1 1 46 46 SER H H 1 8.206 0.01 . 1 . . . . 46 SER NH . 19485 1 481 . 1 1 46 46 SER HA H 1 4.382 0.01 . 1 . . . . 46 SER HA . 19485 1 482 . 1 1 46 46 SER HB2 H 1 3.928 0.01 . 2 . . . . 46 SER HB2 . 19485 1 483 . 1 1 46 46 SER HB3 H 1 3.89 0.01 . 2 . . . . 46 SER HB3 . 19485 1 484 . 1 1 46 46 SER C C 13 173.018 0.10 . 1 . . . . 46 SER CO . 19485 1 485 . 1 1 46 46 SER CA C 13 56.962 0.10 . 1 . . . . 46 SER CA . 19485 1 486 . 1 1 46 46 SER CB C 13 61.642 0.10 . 1 . . . . 46 SER CB . 19485 1 487 . 1 1 46 46 SER N N 15 116.297 0.10 . 1 . . . . 46 SER N . 19485 1 488 . 1 1 47 47 VAL H H 1 8.024 0.01 . 1 . . . . 47 VAL NH . 19485 1 489 . 1 1 47 47 VAL HA H 1 3.955 0.01 . 1 . . . . 47 VAL HA . 19485 1 490 . 1 1 47 47 VAL HB H 1 2.099 0.01 . 1 . . . . 47 VAL HB . 19485 1 491 . 1 1 47 47 VAL HG11 H 1 0.958 0.01 . 2 . . . . 47 VAL HG1 . 19485 1 492 . 1 1 47 47 VAL HG12 H 1 0.958 0.01 . 2 . . . . 47 VAL HG1 . 19485 1 493 . 1 1 47 47 VAL HG13 H 1 0.958 0.01 . 2 . . . . 47 VAL HG1 . 19485 1 494 . 1 1 47 47 VAL HG21 H 1 0.916 0.01 . 2 . . . . 47 VAL HG2 . 19485 1 495 . 1 1 47 47 VAL HG22 H 1 0.916 0.01 . 2 . . . . 47 VAL HG2 . 19485 1 496 . 1 1 47 47 VAL HG23 H 1 0.916 0.01 . 2 . . . . 47 VAL HG2 . 19485 1 497 . 1 1 47 47 VAL C C 13 174.816 0.10 . 1 . . . . 47 VAL CO . 19485 1 498 . 1 1 47 47 VAL CA C 13 61.778 0.10 . 1 . . . . 47 VAL CA . 19485 1 499 . 1 1 47 47 VAL CB C 13 30.278 0.10 . 1 . . . . 47 VAL CB . 19485 1 500 . 1 1 47 47 VAL CG1 C 13 19 0.10 . 2 . . . . 47 VAL CG1 . 19485 1 501 . 1 1 47 47 VAL N N 15 121.214 0.10 . 1 . . . . 47 VAL N . 19485 1 502 . 1 1 48 48 GLN H H 1 8.235 0.01 . 1 . . . . 48 GLN NH . 19485 1 503 . 1 1 48 48 GLN HA H 1 4.181 0.01 . 1 . . . . 48 GLN HA . 19485 1 504 . 1 1 48 48 GLN HB2 H 1 2.023 0.01 . 1 . . . . 48 GLN HB# . 19485 1 505 . 1 1 48 48 GLN HB3 H 1 2.023 0.01 . 1 . . . . 48 GLN HB# . 19485 1 506 . 1 1 48 48 GLN HG2 H 1 2.375 0.01 . 1 . . . . 48 GLN HG# . 19485 1 507 . 1 1 48 48 GLN HG3 H 1 2.375 0.01 . 1 . . . . 48 GLN HG# . 19485 1 508 . 1 1 48 48 GLN C C 13 174.72 0.10 . 1 . . . . 48 GLN CO . 19485 1 509 . 1 1 48 48 GLN CA C 13 54.965 0.10 . 1 . . . . 48 GLN CA . 19485 1 510 . 1 1 48 48 GLN CB C 13 26.942 0.10 . 1 . . . . 48 GLN CB . 19485 1 511 . 1 1 48 48 GLN CG C 13 31.754 0.10 . 1 . . . . 48 GLN CG . 19485 1 512 . 1 1 48 48 GLN N N 15 121.592 0.10 . 1 . . . . 48 GLN N . 19485 1 513 . 1 1 49 49 GLU H H 1 8.203 0.01 . 1 . . . . 49 GLU NH . 19485 1 514 . 1 1 49 49 GLU HA H 1 4.147 0.01 . 1 . . . . 49 GLU HA . 19485 1 515 . 1 1 49 49 GLU HB2 H 1 2.011 0.01 . 2 . . . . 49 GLU HB2 . 19485 1 516 . 1 1 49 49 GLU HB3 H 1 1.995 0.01 . 2 . . . . 49 GLU HB3 . 19485 1 517 . 1 1 49 49 GLU HG2 H 1 2.259 0.01 . 1 . . . . 49 GLU HG# . 19485 1 518 . 1 1 49 49 GLU HG3 H 1 2.259 0.01 . 1 . . . . 49 GLU HG# . 19485 1 519 . 1 1 49 49 GLU C C 13 175.064 0.10 . 1 . . . . 49 GLU CO . 19485 1 520 . 1 1 49 49 GLU CA C 13 55.367 0.10 . 1 . . . . 49 GLU CA . 19485 1 521 . 1 1 49 49 GLU CB C 13 27.921 0.10 . 1 . . . . 49 GLU CB . 19485 1 522 . 1 1 49 49 GLU CG C 13 34.07 0.10 . 1 . . . . 49 GLU CG . 19485 1 523 . 1 1 49 49 GLU N N 15 121.075 0.10 . 1 . . . . 49 GLU N . 19485 1 524 . 1 1 50 50 LYS H H 1 8.146 0.01 . 1 . . . . 50 LYS NH . 19485 1 525 . 1 1 50 50 LYS HA H 1 4.163 0.01 . 1 . . . . 50 LYS HA . 19485 1 526 . 1 1 50 50 LYS HB2 H 1 1.809 0.01 . 1 . . . . 50 LYS HB# . 19485 1 527 . 1 1 50 50 LYS HB3 H 1 1.809 0.01 . 1 . . . . 50 LYS HB# . 19485 1 528 . 1 1 50 50 LYS HG2 H 1 1.411 0.01 . 1 . . . . 50 LYS HG# . 19485 1 529 . 1 1 50 50 LYS HG3 H 1 1.411 0.01 . 1 . . . . 50 LYS HG# . 19485 1 530 . 1 1 50 50 LYS HD2 H 1 1.653 0.01 . 2 . . . . 50 LYS HD2 . 19485 1 531 . 1 1 50 50 LYS HD3 H 1 1.512 0.01 . 2 . . . . 50 LYS HD3 . 19485 1 532 . 1 1 50 50 LYS HE2 H 1 2.96 0.01 . 1 . . . . 50 LYS HE# . 19485 1 533 . 1 1 50 50 LYS HE3 H 1 2.96 0.01 . 1 . . . . 50 LYS HE# . 19485 1 534 . 1 1 50 50 LYS C C 13 175.077 0.10 . 1 . . . . 50 LYS CO . 19485 1 535 . 1 1 50 50 LYS CA C 13 55.485 0.10 . 1 . . . . 50 LYS CA . 19485 1 536 . 1 1 50 50 LYS CB C 13 30.572 0.10 . 1 . . . . 50 LYS CB . 19485 1 537 . 1 1 50 50 LYS CG C 13 23.088 0.10 . 1 . . . . 50 LYS CG . 19485 1 538 . 1 1 50 50 LYS CD C 13 27.095 0.10 . 1 . . . . 50 LYS CD . 19485 1 539 . 1 1 50 50 LYS CE C 13 40.107 0.10 . 1 . . . . 50 LYS CE . 19485 1 540 . 1 1 50 50 LYS N N 15 121.059 0.10 . 1 . . . . 50 LYS N . 19485 1 541 . 1 1 51 51 ARG H H 1 8.048 0.01 . 1 . . . . 51 ARG NH . 19485 1 542 . 1 1 51 51 ARG HA H 1 4.224 0.01 . 1 . . . . 51 ARG HA . 19485 1 543 . 1 1 51 51 ARG HB2 H 1 1.843 0.01 . 2 . . . . 51 ARG HB2 . 19485 1 544 . 1 1 51 51 ARG HB3 H 1 1.775 0.01 . 2 . . . . 51 ARG HB3 . 19485 1 545 . 1 1 51 51 ARG HG2 H 1 1.632 0.01 . 1 . . . . 51 ARG HG# . 19485 1 546 . 1 1 51 51 ARG HG3 H 1 1.632 0.01 . 1 . . . . 51 ARG HG# . 19485 1 547 . 1 1 51 51 ARG HD2 H 1 3.162 0.01 . 1 . . . . 51 ARG HD# . 19485 1 548 . 1 1 51 51 ARG HD3 H 1 3.162 0.01 . 1 . . . . 51 ARG HD# . 19485 1 549 . 1 1 51 51 ARG C C 13 174.474 0.10 . 1 . . . . 51 ARG CO . 19485 1 550 . 1 1 51 51 ARG CA C 13 54.715 0.10 . 1 . . . . 51 ARG CA . 19485 1 551 . 1 1 51 51 ARG CB C 13 28.526 0.10 . 1 . . . . 51 ARG CB . 19485 1 552 . 1 1 51 51 ARG CG C 13 25.198 0.10 . 1 . . . . 51 ARG CG . 19485 1 553 . 1 1 51 51 ARG CD C 13 41.356 0.10 . 1 . . . . 51 ARG CD . 19485 1 554 . 1 1 51 51 ARG N N 15 120.258 0.10 . 1 . . . . 51 ARG N . 19485 1 555 . 1 1 52 52 LYS H H 1 8.077 0.01 . 1 . . . . 52 LYS NH . 19485 1 556 . 1 1 52 52 LYS HA H 1 4.212 0.01 . 1 . . . . 52 LYS HA . 19485 1 557 . 1 1 52 52 LYS HB2 H 1 1.8 0.01 . 2 . . . . 52 LYS HB2 . 19485 1 558 . 1 1 52 52 LYS HB3 H 1 1.761 0.01 . 2 . . . . 52 LYS HB3 . 19485 1 559 . 1 1 52 52 LYS HG2 H 1 1.432 0.01 . 1 . . . . 52 LYS HG# . 19485 1 560 . 1 1 52 52 LYS HG3 H 1 1.432 0.01 . 1 . . . . 52 LYS HG# . 19485 1 561 . 1 1 52 52 LYS HD2 H 1 1.655 0.01 . 1 . . . . 52 LYS HD# . 19485 1 562 . 1 1 52 52 LYS HD3 H 1 1.655 0.01 . 1 . . . . 52 LYS HD# . 19485 1 563 . 1 1 52 52 LYS HE2 H 1 2.954 0.01 . 1 . . . . 52 LYS HE# . 19485 1 564 . 1 1 52 52 LYS HE3 H 1 2.954 0.01 . 1 . . . . 52 LYS HE# . 19485 1 565 . 1 1 52 52 LYS C C 13 174.664 0.10 . 1 . . . . 52 LYS CO . 19485 1 566 . 1 1 52 52 LYS CA C 13 54.745 0.10 . 1 . . . . 52 LYS CA . 19485 1 567 . 1 1 52 52 LYS CB C 13 30.927 0.10 . 1 . . . . 52 LYS CB . 19485 1 568 . 1 1 52 52 LYS CG C 13 22.741 0.10 . 1 . . . . 52 LYS CG . 19485 1 569 . 1 1 52 52 LYS CE C 13 40.155 0.10 . 1 . . . . 52 LYS CE . 19485 1 570 . 1 1 52 52 LYS N N 15 121.483 0.10 . 1 . . . . 52 LYS N . 19485 1 571 . 1 1 53 53 LYS H H 1 8.141 0.01 . 1 . . . . 53 LYS NH . 19485 1 572 . 1 1 53 53 LYS HA H 1 4.215 0.01 . 1 . . . . 53 LYS HA . 19485 1 573 . 1 1 53 53 LYS HB2 H 1 1.781 0.01 . 1 . . . . 53 LYS HB# . 19485 1 574 . 1 1 53 53 LYS HB3 H 1 1.781 0.01 . 1 . . . . 53 LYS HB# . 19485 1 575 . 1 1 53 53 LYS HG2 H 1 1.407 0.01 . 1 . . . . 53 LYS HG# . 19485 1 576 . 1 1 53 53 LYS HG3 H 1 1.407 0.01 . 1 . . . . 53 LYS HG# . 19485 1 577 . 1 1 53 53 LYS HD2 H 1 1.665 0.01 . 1 . . . . 53 LYS HD# . 19485 1 578 . 1 1 53 53 LYS HD3 H 1 1.665 0.01 . 1 . . . . 53 LYS HD# . 19485 1 579 . 1 1 53 53 LYS HE2 H 1 2.963 0.01 . 1 . . . . 53 LYS HE# . 19485 1 580 . 1 1 53 53 LYS HE3 H 1 2.963 0.01 . 1 . . . . 53 LYS HE# . 19485 1 581 . 1 1 53 53 LYS C C 13 174.405 0.10 . 1 . . . . 53 LYS CO . 19485 1 582 . 1 1 53 53 LYS CA C 13 54.624 0.10 . 1 . . . . 53 LYS CA . 19485 1 583 . 1 1 53 53 LYS CB C 13 30.953 0.10 . 1 . . . . 53 LYS CB . 19485 1 584 . 1 1 53 53 LYS CE C 13 40.136 0.10 . 1 . . . . 53 LYS CE . 19485 1 585 . 1 1 53 53 LYS N N 15 121.984 0.10 . 1 . . . . 53 LYS N . 19485 1 586 . 1 1 54 54 LYS H H 1 8.208 0.01 . 1 . . . . 54 LYS NH . 19485 1 587 . 1 1 54 54 LYS HA H 1 4.229 0.01 . 1 . . . . 54 LYS HA . 19485 1 588 . 1 1 54 54 LYS HB2 H 1 1.795 0.01 . 2 . . . . 54 LYS HB2 . 19485 1 589 . 1 1 54 54 LYS HB3 H 1 1.748 0.01 . 2 . . . . 54 LYS HB3 . 19485 1 590 . 1 1 54 54 LYS HG2 H 1 1.403 0.01 . 1 . . . . 54 LYS HG# . 19485 1 591 . 1 1 54 54 LYS HG3 H 1 1.403 0.01 . 1 . . . . 54 LYS HG# . 19485 1 592 . 1 1 54 54 LYS CA C 13 54.612 0.10 . 1 . . . . 54 LYS CA . 19485 1 593 . 1 1 54 54 LYS CB C 13 30.878 0.10 . 1 . . . . 54 LYS CB . 19485 1 594 . 1 1 54 54 LYS CG C 13 22.811 0.10 . 1 . . . . 54 LYS CG . 19485 1 595 . 1 1 54 54 LYS N N 15 122.369 0.10 . 1 . . . . 54 LYS N . 19485 1 596 . 1 1 56 56 LYS HA H 1 4.25 0.01 . 1 . . . . 56 LYS HA . 19485 1 597 . 1 1 56 56 LYS HB2 H 1 1.805 0.01 . 2 . . . . 56 LYS HB2 . 19485 1 598 . 1 1 56 56 LYS HB3 H 1 1.745 0.01 . 2 . . . . 56 LYS HB3 . 19485 1 599 . 1 1 56 56 LYS HG2 H 1 1.366 0.01 . 1 . . . . 56 LYS HG# . 19485 1 600 . 1 1 56 56 LYS HG3 H 1 1.366 0.01 . 1 . . . . 56 LYS HG# . 19485 1 601 . 1 1 56 56 LYS HD2 H 1 1.689 0.01 . 1 . . . . 56 LYS HD# . 19485 1 602 . 1 1 56 56 LYS HD3 H 1 1.689 0.01 . 1 . . . . 56 LYS HD# . 19485 1 603 . 1 1 56 56 LYS HE2 H 1 2.96 0.01 . 1 . . . . 56 LYS HE# . 19485 1 604 . 1 1 56 56 LYS HE3 H 1 2.96 0.01 . 1 . . . . 56 LYS HE# . 19485 1 605 . 1 1 56 56 LYS C C 13 174.148 0.10 . 1 . . . . 56 LYS CO . 19485 1 606 . 1 1 56 56 LYS CA C 13 54.531 0.10 . 1 . . . . 56 LYS CA . 19485 1 607 . 1 1 56 56 LYS CB C 13 30.915 0.10 . 1 . . . . 56 LYS CB . 19485 1 608 . 1 1 56 56 LYS CD C 13 27.123 0.10 . 1 . . . . 56 LYS CD . 19485 1 609 . 1 1 56 56 LYS CE C 13 40.111 0.10 . 1 . . . . 56 LYS CE . 19485 1 610 . 1 1 57 57 ILE H H 1 8.093 0.01 . 1 . . . . 57 ILE NH . 19485 1 611 . 1 1 57 57 ILE HA H 1 4.11 0.01 . 1 . . . . 57 ILE HA . 19485 1 612 . 1 1 57 57 ILE HB H 1 1.821 0.01 . 1 . . . . 57 ILE HB . 19485 1 613 . 1 1 57 57 ILE HG12 H 1 1.452 0.01 . 2 . . . . 57 ILE HG12 . 19485 1 614 . 1 1 57 57 ILE HG13 H 1 1.161 0.01 . 2 . . . . 57 ILE HG13 . 19485 1 615 . 1 1 57 57 ILE HG21 H 1 1.155 0.01 . 1 . . . . 57 ILE HG2 . 19485 1 616 . 1 1 57 57 ILE HG22 H 1 1.155 0.01 . 1 . . . . 57 ILE HG2 . 19485 1 617 . 1 1 57 57 ILE HG23 H 1 1.155 0.01 . 1 . . . . 57 ILE HG2 . 19485 1 618 . 1 1 57 57 ILE HD11 H 1 0.85 0.01 . 1 . . . . 57 ILE HD1 . 19485 1 619 . 1 1 57 57 ILE HD12 H 1 0.85 0.01 . 1 . . . . 57 ILE HD1 . 19485 1 620 . 1 1 57 57 ILE HD13 H 1 0.85 0.01 . 1 . . . . 57 ILE HD1 . 19485 1 621 . 1 1 57 57 ILE C C 13 174.078 0.10 . 1 . . . . 57 ILE CO . 19485 1 622 . 1 1 57 57 ILE CA C 13 59.106 0.10 . 1 . . . . 57 ILE CA . 19485 1 623 . 1 1 57 57 ILE CB C 13 36.544 0.10 . 1 . . . . 57 ILE CB . 19485 1 624 . 1 1 57 57 ILE CG1 C 13 25.289 0.10 . 1 . . . . 57 ILE CG1 . 19485 1 625 . 1 1 57 57 ILE N N 15 122.349 0.10 . 1 . . . . 57 ILE N . 19485 1 626 . 1 1 58 58 GLU H H 1 8.436 0.01 . 1 . . . . 58 GLU NH . 19485 1 627 . 1 1 58 58 GLU HA H 1 4.262 0.01 . 1 . . . . 58 GLU HA . 19485 1 628 . 1 1 58 58 GLU HB2 H 1 2.003 0.01 . 2 . . . . 58 GLU HB2 . 19485 1 629 . 1 1 58 58 GLU HB3 H 1 1.899 0.01 . 2 . . . . 58 GLU HB3 . 19485 1 630 . 1 1 58 58 GLU HG2 H 1 2.261 0.01 . 2 . . . . 58 GLU HG2 . 19485 1 631 . 1 1 58 58 GLU HG3 H 1 2.212 0.01 . 2 . . . . 58 GLU HG3 . 19485 1 632 . 1 1 58 58 GLU C C 13 174.106 0.10 . 1 . . . . 58 GLU CO . 19485 1 633 . 1 1 58 58 GLU CA C 13 54.489 0.10 . 1 . . . . 58 GLU CA . 19485 1 634 . 1 1 58 58 GLU CB C 13 28.292 0.10 . 1 . . . . 58 GLU CB . 19485 1 635 . 1 1 58 58 GLU CG C 13 34.064 0.10 . 1 . . . . 58 GLU CG . 19485 1 636 . 1 1 58 58 GLU N N 15 125.064 0.10 . 1 . . . . 58 GLU N . 19485 1 637 . 1 1 59 59 LYS H H 1 8.244 0.01 . 1 . . . . 59 LYS NH . 19485 1 638 . 1 1 59 59 LYS HA H 1 4.24 0.01 . 1 . . . . 59 LYS HA . 19485 1 639 . 1 1 59 59 LYS HB2 H 1 1.788 0.01 . 2 . . . . 59 LYS HB2 . 19485 1 640 . 1 1 59 59 LYS HB3 H 1 1.74 0.01 . 2 . . . . 59 LYS HB3 . 19485 1 641 . 1 1 59 59 LYS HG2 H 1 1.402 0.01 . 2 . . . . 59 LYS HG# . 19485 1 642 . 1 1 59 59 LYS HG3 H 1 1.402 0.01 . 2 . . . . 59 LYS HG# . 19485 1 643 . 1 1 59 59 LYS HE2 H 1 2.965 0.01 . 1 . . . . 59 LYS HE# . 19485 1 644 . 1 1 59 59 LYS HE3 H 1 2.965 0.01 . 1 . . . . 59 LYS HE# . 19485 1 645 . 1 1 59 59 LYS C C 13 174.122 0.10 . 1 . . . . 59 LYS CO . 19485 1 646 . 1 1 59 59 LYS CA C 13 54.413 0.10 . 1 . . . . 59 LYS CA . 19485 1 647 . 1 1 59 59 LYS CB C 13 30.948 0.10 . 1 . . . . 59 LYS CB . 19485 1 648 . 1 1 59 59 LYS CG C 13 22.654 0.10 . 1 . . . . 59 LYS CG . 19485 1 649 . 1 1 59 59 LYS CE C 13 40.132 0.10 . 1 . . . . 59 LYS CE . 19485 1 650 . 1 1 59 59 LYS N N 15 121.972 0.10 . 1 . . . . 59 LYS N . 19485 1 651 . 1 1 60 60 GLN H H 1 8.329 0.01 . 1 . . . . 60 GLN NH . 19485 1 652 . 1 1 60 60 GLN HA H 1 4.307 0.01 . 1 . . . . 60 GLN HA . 19485 1 653 . 1 1 60 60 GLN HB2 H 1 2.044 0.01 . 2 . . . . 60 GLN HB2 . 19485 1 654 . 1 1 60 60 GLN HB3 H 1 1.959 0.01 . 2 . . . . 60 GLN HB3 . 19485 1 655 . 1 1 60 60 GLN HG2 H 1 2.322 0.01 . 1 . . . . 60 GLN HG# . 19485 1 656 . 1 1 60 60 GLN HG3 H 1 2.322 0.01 . 1 . . . . 60 GLN HG# . 19485 1 657 . 1 1 60 60 GLN C C 13 173.673 0.10 . 1 . . . . 60 GLN CO . 19485 1 658 . 1 1 60 60 GLN CA C 13 53.877 0.10 . 1 . . . . 60 GLN CA . 19485 1 659 . 1 1 60 60 GLN CB C 13 27.397 0.10 . 1 . . . . 60 GLN CB . 19485 1 660 . 1 1 60 60 GLN CG C 13 31.776 0.10 . 1 . . . . 60 GLN CG . 19485 1 661 . 1 1 60 60 GLN N N 15 121.817 0.10 . 1 . . . . 60 GLN N . 19485 1 662 . 1 1 61 61 ILE H H 1 8.166 0.01 . 1 . . . . 61 ILE NH . 19485 1 663 . 1 1 61 61 ILE HA H 1 4.117 0.01 . 1 . . . . 61 ILE HA . 19485 1 664 . 1 1 61 61 ILE HB H 1 1.827 0.01 . 1 . . . . 61 ILE HB . 19485 1 665 . 1 1 61 61 ILE HG12 H 1 1.44 0.01 . 2 . . . . 61 ILE HG12 . 19485 1 666 . 1 1 61 61 ILE HG13 H 1 1.154 0.01 . 2 . . . . 61 ILE HG13 . 19485 1 667 . 1 1 61 61 ILE HG21 H 1 0.873 0.01 . 1 . . . . 61 ILE HG2 . 19485 1 668 . 1 1 61 61 ILE HG22 H 1 0.873 0.01 . 1 . . . . 61 ILE HG2 . 19485 1 669 . 1 1 61 61 ILE HG23 H 1 0.873 0.01 . 1 . . . . 61 ILE HG2 . 19485 1 670 . 1 1 61 61 ILE HD11 H 1 0.825 0.01 . 1 . . . . 61 ILE HD1 . 19485 1 671 . 1 1 61 61 ILE HD12 H 1 0.825 0.01 . 1 . . . . 61 ILE HD1 . 19485 1 672 . 1 1 61 61 ILE HD13 H 1 0.825 0.01 . 1 . . . . 61 ILE HD1 . 19485 1 673 . 1 1 61 61 ILE C C 13 173.739 0.10 . 1 . . . . 61 ILE CO . 19485 1 674 . 1 1 61 61 ILE CA C 13 59.165 0.10 . 1 . . . . 61 ILE CA . 19485 1 675 . 1 1 61 61 ILE CB C 13 36.677 0.10 . 1 . . . . 61 ILE CB . 19485 1 676 . 1 1 61 61 ILE CG1 C 13 25.257 0.10 . 1 . . . . 61 ILE CG1 . 19485 1 677 . 1 1 61 61 ILE CG2 C 13 15.444 0.10 . 1 . . . . 61 ILE CG2 . 19485 1 678 . 1 1 61 61 ILE CD1 C 13 10.804 0.10 . 1 . . . . 61 ILE CD1 . 19485 1 679 . 1 1 61 61 ILE N N 15 122.315 0.10 . 1 . . . . 61 ILE N . 19485 1 680 . 1 1 62 62 ALA H H 1 8.337 0.01 . 1 . . . . 62 ALA NH . 19485 1 681 . 1 1 62 62 ALA HA H 1 4.388 0.01 . 1 . . . . 62 ALA HA . 19485 1 682 . 1 1 62 62 ALA HB1 H 1 1.382 0.01 . 1 . . . . 62 ALA HB . 19485 1 683 . 1 1 62 62 ALA HB2 H 1 1.382 0.01 . 1 . . . . 62 ALA HB . 19485 1 684 . 1 1 62 62 ALA HB3 H 1 1.382 0.01 . 1 . . . . 62 ALA HB . 19485 1 685 . 1 1 62 62 ALA C C 13 175.583 0.10 . 1 . . . . 62 ALA CO . 19485 1 686 . 1 1 62 62 ALA CA C 13 50.492 0.10 . 1 . . . . 62 ALA CA . 19485 1 687 . 1 1 62 62 ALA CB C 13 17.295 0.10 . 1 . . . . 62 ALA CB . 19485 1 688 . 1 1 62 62 ALA N N 15 127.723 0.10 . 1 . . . . 62 ALA N . 19485 1 689 . 1 1 63 63 THR H H 1 8.072 0.01 . 1 . . . . 63 THR NH . 19485 1 690 . 1 1 63 63 THR HA H 1 4.352 0.01 . 1 . . . . 63 THR HA . 19485 1 691 . 1 1 63 63 THR HB H 1 4.244 0.01 . 1 . . . . 63 THR HB . 19485 1 692 . 1 1 63 63 THR HG21 H 1 1.177 0.01 . 1 . . . . 63 THR HG2 . 19485 1 693 . 1 1 63 63 THR HG22 H 1 1.177 0.01 . 1 . . . . 63 THR HG2 . 19485 1 694 . 1 1 63 63 THR HG23 H 1 1.177 0.01 . 1 . . . . 63 THR HG2 . 19485 1 695 . 1 1 63 63 THR C C 13 172.323 0.10 . 1 . . . . 63 THR CO . 19485 1 696 . 1 1 63 63 THR CA C 13 59.699 0.10 . 1 . . . . 63 THR CA . 19485 1 697 . 1 1 63 63 THR CB C 13 67.878 0.10 . 1 . . . . 63 THR CB . 19485 1 698 . 1 1 63 63 THR CG2 C 13 19.461 0.10 . 1 . . . . 63 THR CG2 . 19485 1 699 . 1 1 63 63 THR N N 15 112.976 0.10 . 1 . . . . 63 THR N . 19485 1 700 . 1 1 64 64 SER H H 1 8.219 0.01 . 1 . . . . 64 SER NH . 19485 1 701 . 1 1 64 64 SER HA H 1 4.501 0.01 . 1 . . . . 64 SER HA . 19485 1 702 . 1 1 64 64 SER HB2 H 1 3.858 0.01 . 1 . . . . 64 SER HB# . 19485 1 703 . 1 1 64 64 SER HB3 H 1 3.858 0.01 . 1 . . . . 64 SER HB# . 19485 1 704 . 1 1 64 64 SER C C 13 172.201 0.10 . 1 . . . . 64 SER CO . 19485 1 705 . 1 1 64 64 SER CA C 13 56.222 0.10 . 1 . . . . 64 SER CA . 19485 1 706 . 1 1 64 64 SER CB C 13 62.339 0.10 . 1 . . . . 64 SER CB . 19485 1 707 . 1 1 64 64 SER N N 15 117.384 0.10 . 1 . . . . 64 SER N . 19485 1 708 . 1 1 65 65 GLY H H 1 8.154 0.01 . 1 . . . . 65 GLY NH . 19485 1 709 . 1 1 65 65 GLY HA2 H 1 4.117 0.01 . 2 . . . . 65 GLY HA2 . 19485 1 710 . 1 1 65 65 GLY HA3 H 1 4.035 0.01 . 2 . . . . 65 GLY HA3 . 19485 1 711 . 1 1 65 65 GLY CA C 13 42.45 0.10 . 1 . . . . 65 GLY CA . 19485 1 712 . 1 1 65 65 GLY N N 15 110.401 0.10 . 1 . . . . 65 GLY N . 19485 1 713 . 1 1 68 68 PRO HA H 1 4.361 0.01 . 1 . . . . 68 PRO HA . 19485 1 714 . 1 1 68 68 PRO HB2 H 1 2.229 0.01 . 2 . . . . 68 PRO HB2 . 19485 1 715 . 1 1 68 68 PRO HB3 H 1 1.865 0.01 . 2 . . . . 68 PRO HB3 . 19485 1 716 . 1 1 68 68 PRO HG2 H 1 1.972 0.01 . 1 . . . . 68 PRO HG# . 19485 1 717 . 1 1 68 68 PRO HG3 H 1 1.972 0.01 . 1 . . . . 68 PRO HG# . 19485 1 718 . 1 1 68 68 PRO HD2 H 1 3.745 0.01 . 2 . . . . 68 PRO HD2 . 19485 1 719 . 1 1 68 68 PRO HD3 H 1 3.573 0.01 . 2 . . . . 68 PRO HD3 . 19485 1 720 . 1 1 68 68 PRO C C 13 174.956 0.10 . 1 . . . . 68 PRO CO . 19485 1 721 . 1 1 68 68 PRO CA C 13 61.067 0.10 . 1 . . . . 68 PRO CA . 19485 1 722 . 1 1 68 68 PRO CB C 13 29.892 0.10 . 1 . . . . 68 PRO CB . 19485 1 723 . 1 1 68 68 PRO CG C 13 25.253 0.10 . 1 . . . . 68 PRO CG . 19485 1 724 . 1 1 68 68 PRO CD C 13 48.09 0.10 . 1 . . . . 68 PRO CD . 19485 1 725 . 1 1 69 69 GLU H H 1 8.497 0.01 . 1 . . . . 69 GLU NH . 19485 1 726 . 1 1 69 69 GLU HA H 1 4.179 0.01 . 1 . . . . 69 GLU HA . 19485 1 727 . 1 1 69 69 GLU HB2 H 1 1.999 0.01 . 2 . . . . 69 GLU HB2 . 19485 1 728 . 1 1 69 69 GLU HB3 H 1 1.922 0.01 . 2 . . . . 69 GLU HB3 . 19485 1 729 . 1 1 69 69 GLU HG2 H 1 2.242 0.01 . 1 . . . . 69 GLU HG# . 19485 1 730 . 1 1 69 69 GLU HG3 H 1 2.242 0.01 . 1 . . . . 69 GLU HG# . 19485 1 731 . 1 1 69 69 GLU C C 13 174.93 0.10 . 1 . . . . 69 GLU CO . 19485 1 732 . 1 1 69 69 GLU CA C 13 54.825 0.10 . 1 . . . . 69 GLU CA . 19485 1 733 . 1 1 69 69 GLU CB C 13 27.867 0.10 . 1 . . . . 69 GLU CB . 19485 1 734 . 1 1 69 69 GLU CG C 13 33.991 0.10 . 1 . . . . 69 GLU CG . 19485 1 735 . 1 1 69 69 GLU N N 15 120.554 0.10 . 1 . . . . 69 GLU N . 19485 1 736 . 1 1 70 70 GLY H H 1 8.319 0.01 . 1 . . . . 70 GLY NH . 19485 1 737 . 1 1 70 70 GLY HA2 H 1 3.924 0.01 . 2 . . . . 70 GLY HA2 . 19485 1 738 . 1 1 70 70 GLY HA3 H 1 3.879 0.01 . 2 . . . . 70 GLY HA3 . 19485 1 739 . 1 1 70 70 GLY C C 13 172.487 0.10 . 1 . . . . 70 GLY CO . 19485 1 740 . 1 1 70 70 GLY CA C 13 43.369 0.10 . 1 . . . . 70 GLY CA . 19485 1 741 . 1 1 70 70 GLY N N 15 109.638 0.10 . 1 . . . . 70 GLY N . 19485 1 742 . 1 1 71 71 GLY H H 1 8.173 0.01 . 1 . . . . 71 GLY NH . 19485 1 743 . 1 1 71 71 GLY HA2 H 1 3.916 0.01 . 2 . . . . 71 GLY HA . 19485 1 744 . 1 1 71 71 GLY HA3 H 1 3.916 0.01 . 2 . . . . 71 GLY HA . 19485 1 745 . 1 1 71 71 GLY C C 13 171.894 0.10 . 1 . . . . 71 GLY CO . 19485 1 746 . 1 1 71 71 GLY CA C 13 43.173 0.10 . 1 . . . . 71 GLY CA . 19485 1 747 . 1 1 71 71 GLY N N 15 108.083 0.10 . 1 . . . . 71 GLY N . 19485 1 748 . 1 1 72 72 LEU H H 1 8.032 0.01 . 1 . . . . 72 LEU NH . 19485 1 749 . 1 1 72 72 LEU HA H 1 4.248 0.01 . 1 . . . . 72 LEU HA . 19485 1 750 . 1 1 72 72 LEU HB2 H 1 1.548 0.01 . 2 . . . . 72 LEU HB2 . 19485 1 751 . 1 1 72 72 LEU HB3 H 1 1.432 0.01 . 2 . . . . 72 LEU HB3 . 19485 1 752 . 1 1 72 72 LEU HG H 1 1.69 0.01 . 1 . . . . 72 LEU HG . 19485 1 753 . 1 1 72 72 LEU HD11 H 1 0.862 0.01 . 1 . . . . 72 LEU HD# . 19485 1 754 . 1 1 72 72 LEU HD12 H 1 0.862 0.01 . 1 . . . . 72 LEU HD# . 19485 1 755 . 1 1 72 72 LEU HD13 H 1 0.862 0.01 . 1 . . . . 72 LEU HD# . 19485 1 756 . 1 1 72 72 LEU HD21 H 1 0.862 0.01 . 1 . . . . 72 LEU HD# . 19485 1 757 . 1 1 72 72 LEU HD22 H 1 0.862 0.01 . 1 . . . . 72 LEU HD# . 19485 1 758 . 1 1 72 72 LEU HD23 H 1 0.862 0.01 . 1 . . . . 72 LEU HD# . 19485 1 759 . 1 1 72 72 LEU C C 13 175.238 0.10 . 1 . . . . 72 LEU CO . 19485 1 760 . 1 1 72 72 LEU CA C 13 53.287 0.10 . 1 . . . . 72 LEU CA . 19485 1 761 . 1 1 72 72 LEU CB C 13 40.283 0.10 . 1 . . . . 72 LEU CB . 19485 1 762 . 1 1 72 72 LEU CG C 13 24.878 0.10 . 1 . . . . 72 LEU CG . 19485 1 763 . 1 1 72 72 LEU CD1 C 13 21.327 0.10 . 1 . . . . 72 LEU CD# . 19485 1 764 . 1 1 72 72 LEU CD2 C 13 21.327 0.10 . 1 . . . . 72 LEU CD# . 19485 1 765 . 1 1 72 72 LEU N N 15 121.068 0.10 . 1 . . . . 72 LEU N . 19485 1 766 . 1 1 73 73 ARG H H 1 8.145 0.01 . 1 . . . . 73 ARG NH . 19485 1 767 . 1 1 73 73 ARG HA H 1 4.204 0.01 . 1 . . . . 73 ARG HA . 19485 1 768 . 1 1 73 73 ARG HB2 H 1 1.637 0.01 . 1 . . . . 73 ARG HB# . 19485 1 769 . 1 1 73 73 ARG HB3 H 1 1.637 0.01 . 1 . . . . 73 ARG HB# . 19485 1 770 . 1 1 73 73 ARG HG2 H 1 1.424 0.01 . 1 . . . . 73 ARG HG# . 19485 1 771 . 1 1 73 73 ARG HG3 H 1 1.424 0.01 . 1 . . . . 73 ARG HG# . 19485 1 772 . 1 1 73 73 ARG HD2 H 1 3.06 0.01 . 1 . . . . 73 ARG HD# . 19485 1 773 . 1 1 73 73 ARG HD3 H 1 3.06 0.01 . 1 . . . . 73 ARG HD# . 19485 1 774 . 1 1 73 73 ARG C C 13 173.785 0.10 . 1 . . . . 73 ARG CO . 19485 1 775 . 1 1 73 73 ARG CA C 13 54.248 0.10 . 1 . . . . 73 ARG CA . 19485 1 776 . 1 1 73 73 ARG CB C 13 28.428 0.10 . 1 . . . . 73 ARG CB . 19485 1 777 . 1 1 73 73 ARG CG C 13 24.913 0.10 . 1 . . . . 73 ARG CG . 19485 1 778 . 1 1 73 73 ARG CD C 13 41.201 0.10 . 1 . . . . 73 ARG CD . 19485 1 779 . 1 1 73 73 ARG N N 15 120.637 0.10 . 1 . . . . 73 ARG N . 19485 1 780 . 1 1 74 74 TRP H H 1 7.984 0.01 . 1 . . . . 74 TRP NH . 19485 1 781 . 1 1 74 74 TRP HA H 1 4.69 0.01 . 1 . . . . 74 TRP HA . 19485 1 782 . 1 1 74 74 TRP HB2 H 1 3.284 0.01 . 2 . . . . 74 TRP HB2 . 19485 1 783 . 1 1 74 74 TRP HB3 H 1 3.192 0.01 . 2 . . . . 74 TRP HB3 . 19485 1 784 . 1 1 74 74 TRP HE1 H 1 10.065 0.01 . 1 . . . . 74 TRP HE1 . 19485 1 785 . 1 1 74 74 TRP HE3 H 1 7.191 0.01 . 1 . . . . 74 TRP HE3 . 19485 1 786 . 1 1 74 74 TRP C C 13 174.015 0.10 . 1 . . . . 74 TRP CO . 19485 1 787 . 1 1 74 74 TRP CA C 13 55.258 0.10 . 1 . . . . 74 TRP CA . 19485 1 788 . 1 1 74 74 TRP CB C 13 27.571 0.10 . 1 . . . . 74 TRP CB . 19485 1 789 . 1 1 74 74 TRP N N 15 121.118 0.10 . 1 . . . . 74 TRP N . 19485 1 790 . 1 1 74 74 TRP NE1 N 15 129.037 0.10 . 1 . . . . 74 TRP NE1 . 19485 1 791 . 1 1 75 75 THR H H 1 7.811 0.01 . 1 . . . . 75 THR NH . 19485 1 792 . 1 1 75 75 THR HA H 1 4.222 0.01 . 1 . . . . 75 THR HA . 19485 1 793 . 1 1 75 75 THR HB H 1 4.104 0.01 . 1 . . . . 75 THR HB . 19485 1 794 . 1 1 75 75 THR HG21 H 1 1.053 0.01 . 1 . . . . 75 THR HG2 . 19485 1 795 . 1 1 75 75 THR HG22 H 1 1.053 0.01 . 1 . . . . 75 THR HG2 . 19485 1 796 . 1 1 75 75 THR HG23 H 1 1.053 0.01 . 1 . . . . 75 THR HG2 . 19485 1 797 . 1 1 75 75 THR C C 13 172.051 0.10 . 1 . . . . 75 THR CO . 19485 1 798 . 1 1 75 75 THR CA C 13 59.836 0.10 . 1 . . . . 75 THR CA . 19485 1 799 . 1 1 75 75 THR CB C 13 68.171 0.10 . 1 . . . . 75 THR CB . 19485 1 800 . 1 1 75 75 THR CG2 C 13 19.389 0.10 . 1 . . . . 75 THR CG2 . 19485 1 801 . 1 1 75 75 THR N N 15 115.243 0.10 . 1 . . . . 75 THR N . 19485 1 802 . 1 1 76 76 VAL H H 1 7.933 0.01 . 1 . . . . 76 VAL NH . 19485 1 803 . 1 1 76 76 VAL HA H 1 4.018 0.01 . 1 . . . . 76 VAL HA . 19485 1 804 . 1 1 76 76 VAL HB H 1 2.017 0.01 . 1 . . . . 76 VAL HB . 19485 1 805 . 1 1 76 76 VAL HG11 H 1 0.902 0.01 . 2 . . . . 76 VAL HG1 . 19485 1 806 . 1 1 76 76 VAL HG12 H 1 0.902 0.01 . 2 . . . . 76 VAL HG1 . 19485 1 807 . 1 1 76 76 VAL HG13 H 1 0.902 0.01 . 2 . . . . 76 VAL HG1 . 19485 1 808 . 1 1 76 76 VAL HG21 H 1 0.883 0.01 . 2 . . . . 76 VAL HG2 . 19485 1 809 . 1 1 76 76 VAL HG22 H 1 0.883 0.01 . 2 . . . . 76 VAL HG2 . 19485 1 810 . 1 1 76 76 VAL HG23 H 1 0.883 0.01 . 2 . . . . 76 VAL HG2 . 19485 1 811 . 1 1 76 76 VAL C C 13 173.859 0.10 . 1 . . . . 76 VAL CO . 19485 1 812 . 1 1 76 76 VAL CA C 13 60.539 0.10 . 1 . . . . 76 VAL CA . 19485 1 813 . 1 1 76 76 VAL CB C 13 30.589 0.10 . 1 . . . . 76 VAL CB . 19485 1 814 . 1 1 76 76 VAL CG1 C 13 18.757 0.10 . 1 . . . . 76 VAL CG# . 19485 1 815 . 1 1 76 76 VAL CG2 C 13 18.757 0.10 . 1 . . . . 76 VAL CG# . 19485 1 816 . 1 1 76 76 VAL N N 15 121.401 0.10 . 1 . . . . 76 VAL N . 19485 1 817 . 1 1 77 77 SER H H 1 8.187 0.01 . 1 . . . . 77 SER NH . 19485 1 818 . 1 1 77 77 SER HA H 1 4.386 0.01 . 1 . . . . 77 SER HA . 19485 1 819 . 1 1 77 77 SER HB2 H 1 3.814 0.01 . 1 . . . . 77 SER HB# . 19485 1 820 . 1 1 77 77 SER HB3 H 1 3.814 0.01 . 1 . . . . 77 SER HB# . 19485 1 821 . 1 1 77 77 SER C C 13 172.481 0.10 . 1 . . . . 77 SER CO . 19485 1 822 . 1 1 77 77 SER CA C 13 56.334 0.10 . 1 . . . . 77 SER CA . 19485 1 823 . 1 1 77 77 SER CB C 13 61.661 0.10 . 1 . . . . 77 SER CB . 19485 1 824 . 1 1 77 77 SER N N 15 118.459 0.10 . 1 . . . . 77 SER N . 19485 1 stop_ save_