data_5397 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5397 _Entry.Title ; 1H, 13C and 15N resonance assignment of an affibody-target complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-06-14 _Entry.Accession_date 2002-06-14 _Entry.Last_release_date 2002-12-23 _Entry.Original_release_date 2002-12-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Christofer Lendel . . . 5397 2 Elisabet Wahlberg . . . 5397 3 Helena Berglund . . . 5397 4 Malin Eklund . . . 5397 5 Per-Ake Nygren . . . 5397 6 Torleif Hard . . . 5397 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5397 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 852 5397 '13C chemical shifts' 500 5397 '15N chemical shifts' 134 5397 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 . . 2002-12-23 2002-06-14 original author . 5397 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5397 _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 ; Letter to the Editor: 1H, 13C and 15N resonance assignments of an affibody-target complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 3 _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 271 _Citation.Page_last 272 _Citation.Year 2002 _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 Christofer Lendel . . . 5397 1 2 Elisabet Wahlberg . . . 5397 1 3 Helena Berglund . . . 5397 1 4 Malin Eklund . . . 5397 1 5 Per-Ake Nygren . . . 5397 1 6 Torleif Hard . . . 5397 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Z_ZSPA-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Z_ZSPA-1 _Assembly.Entry_ID 5397 _Assembly.ID 1 _Assembly.Name 'heterodimer of Z-domain and ZSPA-1 affibody' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID heterodimer 5397 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Z-domain 1 $Z-domain . . . native . . . . . 5397 1 2 'ZSPA-1 affibody' 2 $ZSPA-1 . . . native . . . . . 5397 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'heterodimer of Z-domain and ZSPA-1 affibody' system 5397 1 Z-ZSPA-1 abbreviation 5397 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Z-domain _Entity.Sf_category entity _Entity.Sf_framecode Z-domain _Entity.Entry_ID 5397 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Z-domain _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 ; VDNKFNKEQQNAFYEILHLP NLNEEQRNAFIQSLKDDPSQ SANLLAEAKKLNDAQAPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1H0T . "An Affibody In Complex With A Target Protein: Structure And Coupled Folding" . . . . . 100.00 58 100.00 100.00 1.05e-31 . . . . 5397 1 2 no PDB 1LP1 . "Protein Z In Complex With An In Vitro Selected Affibody" . . . . . 100.00 58 100.00 100.00 1.05e-31 . . . . 5397 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Z-domain common 5397 1 Z-domain abbreviation 5397 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 . VAL . 5397 1 2 . ASP . 5397 1 3 . ASN . 5397 1 4 . LYS . 5397 1 5 . PHE . 5397 1 6 . ASN . 5397 1 7 . LYS . 5397 1 8 . GLU . 5397 1 9 . GLN . 5397 1 10 . GLN . 5397 1 11 . ASN . 5397 1 12 . ALA . 5397 1 13 . PHE . 5397 1 14 . TYR . 5397 1 15 . GLU . 5397 1 16 . ILE . 5397 1 17 . LEU . 5397 1 18 . HIS . 5397 1 19 . LEU . 5397 1 20 . PRO . 5397 1 21 . ASN . 5397 1 22 . LEU . 5397 1 23 . ASN . 5397 1 24 . GLU . 5397 1 25 . GLU . 5397 1 26 . GLN . 5397 1 27 . ARG . 5397 1 28 . ASN . 5397 1 29 . ALA . 5397 1 30 . PHE . 5397 1 31 . ILE . 5397 1 32 . GLN . 5397 1 33 . SER . 5397 1 34 . LEU . 5397 1 35 . LYS . 5397 1 36 . ASP . 5397 1 37 . ASP . 5397 1 38 . PRO . 5397 1 39 . SER . 5397 1 40 . GLN . 5397 1 41 . SER . 5397 1 42 . ALA . 5397 1 43 . ASN . 5397 1 44 . LEU . 5397 1 45 . LEU . 5397 1 46 . ALA . 5397 1 47 . GLU . 5397 1 48 . ALA . 5397 1 49 . LYS . 5397 1 50 . LYS . 5397 1 51 . LEU . 5397 1 52 . ASN . 5397 1 53 . ASP . 5397 1 54 . ALA . 5397 1 55 . GLN . 5397 1 56 . ALA . 5397 1 57 . PRO . 5397 1 58 . LYS . 5397 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 . VAL 1 1 5397 1 . ASP 2 2 5397 1 . ASN 3 3 5397 1 . LYS 4 4 5397 1 . PHE 5 5 5397 1 . ASN 6 6 5397 1 . LYS 7 7 5397 1 . GLU 8 8 5397 1 . GLN 9 9 5397 1 . GLN 10 10 5397 1 . ASN 11 11 5397 1 . ALA 12 12 5397 1 . PHE 13 13 5397 1 . TYR 14 14 5397 1 . GLU 15 15 5397 1 . ILE 16 16 5397 1 . LEU 17 17 5397 1 . HIS 18 18 5397 1 . LEU 19 19 5397 1 . PRO 20 20 5397 1 . ASN 21 21 5397 1 . LEU 22 22 5397 1 . ASN 23 23 5397 1 . GLU 24 24 5397 1 . GLU 25 25 5397 1 . GLN 26 26 5397 1 . ARG 27 27 5397 1 . ASN 28 28 5397 1 . ALA 29 29 5397 1 . PHE 30 30 5397 1 . ILE 31 31 5397 1 . GLN 32 32 5397 1 . SER 33 33 5397 1 . LEU 34 34 5397 1 . LYS 35 35 5397 1 . ASP 36 36 5397 1 . ASP 37 37 5397 1 . PRO 38 38 5397 1 . SER 39 39 5397 1 . GLN 40 40 5397 1 . SER 41 41 5397 1 . ALA 42 42 5397 1 . ASN 43 43 5397 1 . LEU 44 44 5397 1 . LEU 45 45 5397 1 . ALA 46 46 5397 1 . GLU 47 47 5397 1 . ALA 48 48 5397 1 . LYS 49 49 5397 1 . LYS 50 50 5397 1 . LEU 51 51 5397 1 . ASN 52 52 5397 1 . ASP 53 53 5397 1 . ALA 54 54 5397 1 . GLN 55 55 5397 1 . ALA 56 56 5397 1 . PRO 57 57 5397 1 . LYS 58 58 5397 1 stop_ save_ save_ZSPA-1 _Entity.Sf_category entity _Entity.Sf_framecode ZSPA-1 _Entity.Entry_ID 5397 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZSPA-1 _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 ; VDNKFNKELSVAGREIVTLP NLNDPQKKAFIFSLWDDPSQ SANLLAEAKKLNDAQAPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . PDB 1H0T . 'An Affibody In Complex With A Target Protein: Structure And Coupled Folding' . . . . . 100.00 58 100.00 100.00 1.32e-24 . . . . 5397 2 . . PDB 1LP1 . 'Protein Z In Complex With An In Vitro Selected Affibody' . . . . . 100.00 58 100.00 100.00 1.32e-24 . . . . 5397 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ZSPA-1 common 5397 2 ZSPA-1 abbreviation 5397 2 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 . VAL . 5397 2 2 . ASP . 5397 2 3 . ASN . 5397 2 4 . LYS . 5397 2 5 . PHE . 5397 2 6 . ASN . 5397 2 7 . LYS . 5397 2 8 . GLU . 5397 2 9 . LEU . 5397 2 10 . SER . 5397 2 11 . VAL . 5397 2 12 . ALA . 5397 2 13 . GLY . 5397 2 14 . ARG . 5397 2 15 . GLU . 5397 2 16 . ILE . 5397 2 17 . VAL . 5397 2 18 . THR . 5397 2 19 . LEU . 5397 2 20 . PRO . 5397 2 21 . ASN . 5397 2 22 . LEU . 5397 2 23 . ASN . 5397 2 24 . ASP . 5397 2 25 . PRO . 5397 2 26 . GLN . 5397 2 27 . LYS . 5397 2 28 . LYS . 5397 2 29 . ALA . 5397 2 30 . PHE . 5397 2 31 . ILE . 5397 2 32 . PHE . 5397 2 33 . SER . 5397 2 34 . LEU . 5397 2 35 . TRP . 5397 2 36 . ASP . 5397 2 37 . ASP . 5397 2 38 . PRO . 5397 2 39 . SER . 5397 2 40 . GLN . 5397 2 41 . SER . 5397 2 42 . ALA . 5397 2 43 . ASN . 5397 2 44 . LEU . 5397 2 45 . LEU . 5397 2 46 . ALA . 5397 2 47 . GLU . 5397 2 48 . ALA . 5397 2 49 . LYS . 5397 2 50 . LYS . 5397 2 51 . LEU . 5397 2 52 . ASN . 5397 2 53 . ASP . 5397 2 54 . ALA . 5397 2 55 . GLN . 5397 2 56 . ALA . 5397 2 57 . PRO . 5397 2 58 . LYS . 5397 2 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 . VAL 1 1 5397 2 . ASP 2 2 5397 2 . ASN 3 3 5397 2 . LYS 4 4 5397 2 . PHE 5 5 5397 2 . ASN 6 6 5397 2 . LYS 7 7 5397 2 . GLU 8 8 5397 2 . LEU 9 9 5397 2 . SER 10 10 5397 2 . VAL 11 11 5397 2 . ALA 12 12 5397 2 . GLY 13 13 5397 2 . ARG 14 14 5397 2 . GLU 15 15 5397 2 . ILE 16 16 5397 2 . VAL 17 17 5397 2 . THR 18 18 5397 2 . LEU 19 19 5397 2 . PRO 20 20 5397 2 . ASN 21 21 5397 2 . LEU 22 22 5397 2 . ASN 23 23 5397 2 . ASP 24 24 5397 2 . PRO 25 25 5397 2 . GLN 26 26 5397 2 . LYS 27 27 5397 2 . LYS 28 28 5397 2 . ALA 29 29 5397 2 . PHE 30 30 5397 2 . ILE 31 31 5397 2 . PHE 32 32 5397 2 . SER 33 33 5397 2 . LEU 34 34 5397 2 . TRP 35 35 5397 2 . ASP 36 36 5397 2 . ASP 37 37 5397 2 . PRO 38 38 5397 2 . SER 39 39 5397 2 . GLN 40 40 5397 2 . SER 41 41 5397 2 . ALA 42 42 5397 2 . ASN 43 43 5397 2 . LEU 44 44 5397 2 . LEU 45 45 5397 2 . ALA 46 46 5397 2 . GLU 47 47 5397 2 . ALA 48 48 5397 2 . LYS 49 49 5397 2 . LYS 50 50 5397 2 . LEU 51 51 5397 2 . ASN 52 52 5397 2 . ASP 53 53 5397 2 . ALA 54 54 5397 2 . GLN 55 55 5397 2 . ALA 56 56 5397 2 . PRO 57 57 5397 2 . LYS 58 58 5397 2 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 5397 _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 $Z-domain . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 'It is engineerd and has no natural source.' . . 5397 1 2 2 $ZSPA-1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 'It is engineerd and has no natural source.' . . 5397 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 5397 _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 $Z-domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 2 2 $ZSPA-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5397 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Z-domain '[U-13C; U-15N]' . . 1 $Z-domain . . . 1.5 2.0 mM . . . . 5397 1 2 ZSPA-1 . . . 2 $ZSPA-1 . . . 1.65 2.5 mM . . . . 5397 1 3 'potassium phosphate' . . . . . . . 20 . . mM . . . . 5397 1 4 'sodium azide' . . . . . . . 0.01 . . % . . . . 5397 1 5 D2O . . . . . . . . 10 100 % . . . . 5397 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 5397 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZSPA-1 '[U-13C; U-15N]' . . 2 $ZSPA-1 . . . 1.5 2.0 mM . . . . 5397 2 2 Z-domain . . . 1 $Z-domain . . . 1.65 2.5 mM . . . . 5397 2 3 'potassium phosphate' . . . . . . . 20 . . mM . . . . 5397 2 4 'sodium azide' . . . . . . . 0.01 . . % . . . . 5397 2 5 D2O . . . . . . . . 10 100 % . . . . 5397 2 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions _Sample_condition_list.Entry_ID 5397 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 5.6 0.1 n/a 5397 1 temperature 303 0.1 K 5397 1 stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode XWIN-NMR _Software.Entry_ID 5397 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5397 1 stop_ save_ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 5397 _Software.ID 2 _Software.Name NMRpipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5397 2 stop_ save_ save_Ansig_for_Windows _Software.Sf_category software _Software.Sf_framecode Ansig_for_Windows _Software.Entry_ID 5397 _Software.ID 3 _Software.Name 'Ansig for Windows' _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analysis and assignment' 5397 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5397 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5397 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5397 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5397 _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 NMR_spectrometer_1 Bruker AVANCE . 500 . . . 5397 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 5397 1 3 NMR_spectrometer_3 Varian INOVA . 800 . . . 5397 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 5397 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 4 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 8 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 9 15N-TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 10 15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5397 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 15N-TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5397 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5397 _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 H 1 H2O protons . . . . ppm 4.732 internal direct 1.0 internal . . . . . . . . 5397 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5397 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5397 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_shift_set_Z-domain _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_Z-domain _Assigned_chem_shift_list.Entry_ID 5397 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $Sample_1 . 5397 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 VAL HA H 1 3.8 0.005 . 1 . . . . . . . . 5397 1 2 . 1 1 1 1 VAL HB H 1 2.22 0.005 . 1 . . . . . . . . 5397 1 3 . 1 1 1 1 VAL HG11 H 1 1.04 0.005 . 1 . . . . . . . . 5397 1 4 . 1 1 1 1 VAL HG12 H 1 1.04 0.005 . 1 . . . . . . . . 5397 1 5 . 1 1 1 1 VAL HG13 H 1 1.04 0.005 . 1 . . . . . . . . 5397 1 6 . 1 1 1 1 VAL HG21 H 1 1.04 0.005 . 1 . . . . . . . . 5397 1 7 . 1 1 1 1 VAL HG22 H 1 1.04 0.005 . 1 . . . . . . . . 5397 1 8 . 1 1 1 1 VAL HG23 H 1 1.04 0.005 . 1 . . . . . . . . 5397 1 9 . 1 1 1 1 VAL CA C 13 61.4 0.05 . 1 . . . . . . . . 5397 1 10 . 1 1 1 1 VAL CB C 13 32.9 0.05 . 1 . . . . . . . . 5397 1 11 . 1 1 1 1 VAL CG1 C 13 20.5 0.05 . 1 . . . . . . . . 5397 1 12 . 1 1 1 1 VAL CG2 C 13 19.7 0.05 . 1 . . . . . . . . 5397 1 13 . 1 1 2 2 ASP N N 15 126.2 0.05 . 1 . . . . . . . . 5397 1 14 . 1 1 2 2 ASP H H 1 8.76 0.005 . 1 . . . . . . . . 5397 1 15 . 1 1 2 2 ASP HA H 1 4.71 0.005 . 1 . . . . . . . . 5397 1 16 . 1 1 2 2 ASP HB2 H 1 2.65 0.005 . 2 . . . . . . . . 5397 1 17 . 1 1 2 2 ASP HB3 H 1 2.78 0.005 . 2 . . . . . . . . 5397 1 18 . 1 1 2 2 ASP C C 13 175.7 0.05 . 1 . . . . . . . . 5397 1 19 . 1 1 2 2 ASP CA C 13 54.3 0.05 . 1 . . . . . . . . 5397 1 20 . 1 1 2 2 ASP CB C 13 41.6 0.05 . 1 . . . . . . . . 5397 1 21 . 1 1 3 3 ASN N N 15 121.6 0.05 . 1 . . . . . . . . 5397 1 22 . 1 1 3 3 ASN ND2 N 15 113.2 0.05 . 1 . . . . . . . . 5397 1 23 . 1 1 3 3 ASN H H 1 8.54 0.005 . 1 . . . . . . . . 5397 1 24 . 1 1 3 3 ASN HA H 1 4.74 0.005 . 1 . . . . . . . . 5397 1 25 . 1 1 3 3 ASN HB2 H 1 2.85 0.005 . 1 . . . . . . . . 5397 1 26 . 1 1 3 3 ASN HB3 H 1 2.85 0.005 . 1 . . . . . . . . 5397 1 27 . 1 1 3 3 ASN HD21 H 1 6.98 0.005 . 2 . . . . . . . . 5397 1 28 . 1 1 3 3 ASN HD22 H 1 7.63 0.005 . 2 . . . . . . . . 5397 1 29 . 1 1 3 3 ASN C C 13 176 0.05 . 1 . . . . . . . . 5397 1 30 . 1 1 3 3 ASN CA C 13 53.4 0.05 . 1 . . . . . . . . 5397 1 31 . 1 1 3 3 ASN CB C 13 39 0.05 . 1 . . . . . . . . 5397 1 32 . 1 1 4 4 LYS N N 15 122.6 0.05 . 1 . . . . . . . . 5397 1 33 . 1 1 4 4 LYS H H 1 8.42 0.005 . 1 . . . . . . . . 5397 1 34 . 1 1 4 4 LYS HA H 1 4.12 0.005 . 1 . . . . . . . . 5397 1 35 . 1 1 4 4 LYS HB2 H 1 1.6 0.005 . 2 . . . . . . . . 5397 1 36 . 1 1 4 4 LYS HB3 H 1 1.65 0.005 . 2 . . . . . . . . 5397 1 37 . 1 1 4 4 LYS HG2 H 1 1.12 0.005 . 1 . . . . . . . . 5397 1 38 . 1 1 4 4 LYS HG3 H 1 1.12 0.005 . 1 . . . . . . . . 5397 1 39 . 1 1 4 4 LYS HD2 H 1 1.56 0.005 . 1 . . . . . . . . 5397 1 40 . 1 1 4 4 LYS HD3 H 1 1.56 0.005 . 1 . . . . . . . . 5397 1 41 . 1 1 4 4 LYS HE2 H 1 2.89 0.005 . 1 . . . . . . . . 5397 1 42 . 1 1 4 4 LYS HE3 H 1 2.89 0.005 . 1 . . . . . . . . 5397 1 43 . 1 1 4 4 LYS C C 13 177.2 0.05 . 1 . . . . . . . . 5397 1 44 . 1 1 4 4 LYS CA C 13 57.9 0.05 . 1 . . . . . . . . 5397 1 45 . 1 1 4 4 LYS CB C 13 32.4 0.05 . 1 . . . . . . . . 5397 1 46 . 1 1 4 4 LYS CG C 13 24.4 0.05 . 1 . . . . . . . . 5397 1 47 . 1 1 4 4 LYS CD C 13 29 0.05 . 1 . . . . . . . . 5397 1 48 . 1 1 4 4 LYS CE C 13 41.9 0.05 . 1 . . . . . . . . 5397 1 49 . 1 1 5 5 PHE N N 15 118.9 0.05 . 1 . . . . . . . . 5397 1 50 . 1 1 5 5 PHE H H 1 8.22 0.005 . 1 . . . . . . . . 5397 1 51 . 1 1 5 5 PHE HA H 1 4.76 0.005 . 1 . . . . . . . . 5397 1 52 . 1 1 5 5 PHE HB3 H 1 3.36 0.005 . 1 . . . . . . . . 5397 1 53 . 1 1 5 5 PHE HB2 H 1 2.97 0.005 . 1 . . . . . . . . 5397 1 54 . 1 1 5 5 PHE HD1 H 1 7.3 0.005 . 1 . . . . . . . . 5397 1 55 . 1 1 5 5 PHE HD2 H 1 7.3 0.005 . 1 . . . . . . . . 5397 1 56 . 1 1 5 5 PHE HE1 H 1 7.41 0.005 . 1 . . . . . . . . 5397 1 57 . 1 1 5 5 PHE HE2 H 1 7.41 0.005 . 1 . . . . . . . . 5397 1 58 . 1 1 5 5 PHE HZ H 1 7.35 0.005 . 1 . . . . . . . . 5397 1 59 . 1 1 5 5 PHE C C 13 176.3 0.05 . 1 . . . . . . . . 5397 1 60 . 1 1 5 5 PHE CA C 13 58.2 0.05 . 1 . . . . . . . . 5397 1 61 . 1 1 5 5 PHE CB C 13 39.2 0.05 . 1 . . . . . . . . 5397 1 62 . 1 1 5 5 PHE CE1 C 13 132 0.05 . 1 . . . . . . . . 5397 1 63 . 1 1 5 5 PHE CE2 C 13 132 0.05 . 1 . . . . . . . . 5397 1 64 . 1 1 6 6 ASN N N 15 120.2 0.05 . 1 . . . . . . . . 5397 1 65 . 1 1 6 6 ASN ND2 N 15 114.6 0.05 . 1 . . . . . . . . 5397 1 66 . 1 1 6 6 ASN H H 1 8.01 0.005 . 1 . . . . . . . . 5397 1 67 . 1 1 6 6 ASN HA H 1 4.75 0.005 . 1 . . . . . . . . 5397 1 68 . 1 1 6 6 ASN HB2 H 1 2.87 0.005 . 1 . . . . . . . . 5397 1 69 . 1 1 6 6 ASN HB3 H 1 2.87 0.005 . 1 . . . . . . . . 5397 1 70 . 1 1 6 6 ASN HD21 H 1 7.41 0.005 . 2 . . . . . . . . 5397 1 71 . 1 1 6 6 ASN HD22 H 1 7.61 0.005 . 2 . . . . . . . . 5397 1 72 . 1 1 6 6 ASN C C 13 176.5 0.05 . 1 . . . . . . . . 5397 1 73 . 1 1 6 6 ASN CA C 13 56.2 0.05 . 1 . . . . . . . . 5397 1 74 . 1 1 6 6 ASN CB C 13 38.9 0.05 . 1 . . . . . . . . 5397 1 75 . 1 1 7 7 LYS N N 15 119.9 0.05 . 1 . . . . . . . . 5397 1 76 . 1 1 7 7 LYS H H 1 8.26 0.005 . 1 . . . . . . . . 5397 1 77 . 1 1 7 7 LYS HA H 1 4.25 0.005 . 1 . . . . . . . . 5397 1 78 . 1 1 7 7 LYS HB2 H 1 1.79 0.005 . 1 . . . . . . . . 5397 1 79 . 1 1 7 7 LYS HB3 H 1 1.79 0.005 . 1 . . . . . . . . 5397 1 80 . 1 1 7 7 LYS HG2 H 1 1.4 0.005 . 2 . . . . . . . . 5397 1 81 . 1 1 7 7 LYS HG3 H 1 1.51 0.005 . 2 . . . . . . . . 5397 1 82 . 1 1 7 7 LYS HD2 H 1 1.65 0.005 . 2 . . . . . . . . 5397 1 83 . 1 1 7 7 LYS HD3 H 1 1.69 0.005 . 2 . . . . . . . . 5397 1 84 . 1 1 7 7 LYS HE2 H 1 3.01 0.005 . 1 . . . . . . . . 5397 1 85 . 1 1 7 7 LYS HE3 H 1 3.01 0.005 . 1 . . . . . . . . 5397 1 86 . 1 1 7 7 LYS C C 13 178.9 0.05 . 1 . . . . . . . . 5397 1 87 . 1 1 7 7 LYS CA C 13 58.1 0.05 . 1 . . . . . . . . 5397 1 88 . 1 1 7 7 LYS CB C 13 31.6 0.05 . 1 . . . . . . . . 5397 1 89 . 1 1 7 7 LYS CG C 13 24.8 0.05 . 1 . . . . . . . . 5397 1 90 . 1 1 7 7 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . 5397 1 91 . 1 1 7 7 LYS CE C 13 41.9 0.05 . 1 . . . . . . . . 5397 1 92 . 1 1 8 8 GLU N N 15 121.3 0.05 . 1 . . . . . . . . 5397 1 93 . 1 1 8 8 GLU H H 1 8.28 0.005 . 1 . . . . . . . . 5397 1 94 . 1 1 8 8 GLU HA H 1 4.06 0.005 . 1 . . . . . . . . 5397 1 95 . 1 1 8 8 GLU HB3 H 1 2.08 0.005 . 1 . . . . . . . . 5397 1 96 . 1 1 8 8 GLU HB2 H 1 2.24 0.005 . 1 . . . . . . . . 5397 1 97 . 1 1 8 8 GLU HG2 H 1 2.4 0.005 . 1 . . . . . . . . 5397 1 98 . 1 1 8 8 GLU HG3 H 1 2.4 0.005 . 1 . . . . . . . . 5397 1 99 . 1 1 8 8 GLU C C 13 180 0.05 . 1 . . . . . . . . 5397 1 100 . 1 1 8 8 GLU CA C 13 59.6 0.05 . 1 . . . . . . . . 5397 1 101 . 1 1 8 8 GLU CB C 13 29.2 0.05 . 1 . . . . . . . . 5397 1 102 . 1 1 8 8 GLU CG C 13 36.7 0.05 . 1 . . . . . . . . 5397 1 103 . 1 1 9 9 GLN N N 15 120.7 0.05 . 1 . . . . . . . . 5397 1 104 . 1 1 9 9 GLN NE2 N 15 115.5 0.05 . 1 . . . . . . . . 5397 1 105 . 1 1 9 9 GLN H H 1 8.42 0.005 . 1 . . . . . . . . 5397 1 106 . 1 1 9 9 GLN HA H 1 3.81 0.005 . 1 . . . . . . . . 5397 1 107 . 1 1 9 9 GLN HB3 H 1 1.72 0.005 . 1 . . . . . . . . 5397 1 108 . 1 1 9 9 GLN HB2 H 1 2.16 0.005 . 1 . . . . . . . . 5397 1 109 . 1 1 9 9 GLN HG2 H 1 2.23 0.005 . 2 . . . . . . . . 5397 1 110 . 1 1 9 9 GLN HG3 H 1 2.49 0.005 . 2 . . . . . . . . 5397 1 111 . 1 1 9 9 GLN HE21 H 1 7.52 0.005 . 2 . . . . . . . . 5397 1 112 . 1 1 9 9 GLN HE22 H 1 7.58 0.005 . 2 . . . . . . . . 5397 1 113 . 1 1 9 9 GLN C C 13 177 0.05 . 1 . . . . . . . . 5397 1 114 . 1 1 9 9 GLN CA C 13 59.5 0.05 . 1 . . . . . . . . 5397 1 115 . 1 1 9 9 GLN CB C 13 29.3 0.05 . 1 . . . . . . . . 5397 1 116 . 1 1 9 9 GLN CG C 13 35 0.05 . 1 . . . . . . . . 5397 1 117 . 1 1 10 10 GLN N N 15 118.9 0.05 . 1 . . . . . . . . 5397 1 118 . 1 1 10 10 GLN NE2 N 15 113.1 0.05 . 1 . . . . . . . . 5397 1 119 . 1 1 10 10 GLN H H 1 8.07 0.005 . 1 . . . . . . . . 5397 1 120 . 1 1 10 10 GLN HA H 1 2.93 0.005 . 1 . . . . . . . . 5397 1 121 . 1 1 10 10 GLN HB2 H 1 0.69 0.005 . 1 . . . . . . . . 5397 1 122 . 1 1 10 10 GLN HB3 H 1 1.5 0.005 . 1 . . . . . . . . 5397 1 123 . 1 1 10 10 GLN HG2 H 1 1.86 0.005 . 2 . . . . . . . . 5397 1 124 . 1 1 10 10 GLN HG3 H 1 2.11 0.005 . 2 . . . . . . . . 5397 1 125 . 1 1 10 10 GLN HE21 H 1 7.32 0.005 . 2 . . . . . . . . 5397 1 126 . 1 1 10 10 GLN HE22 H 1 6.55 0.005 . 2 . . . . . . . . 5397 1 127 . 1 1 10 10 GLN C C 13 177.7 0.05 . 1 . . . . . . . . 5397 1 128 . 1 1 10 10 GLN CA C 13 59.5 0.05 . 1 . . . . . . . . 5397 1 129 . 1 1 10 10 GLN CB C 13 27.1 0.05 . 1 . . . . . . . . 5397 1 130 . 1 1 10 10 GLN CG C 13 34.7 0.05 . 1 . . . . . . . . 5397 1 131 . 1 1 11 11 ASN N N 15 116.5 0.05 . 1 . . . . . . . . 5397 1 132 . 1 1 11 11 ASN ND2 N 15 114.7 0.05 . 1 . . . . . . . . 5397 1 133 . 1 1 11 11 ASN H H 1 7.77 0.005 . 1 . . . . . . . . 5397 1 134 . 1 1 11 11 ASN HA H 1 4.47 0.005 . 1 . . . . . . . . 5397 1 135 . 1 1 11 11 ASN HB2 H 1 2.76 0.005 . 1 . . . . . . . . 5397 1 136 . 1 1 11 11 ASN HB3 H 1 2.76 0.005 . 1 . . . . . . . . 5397 1 137 . 1 1 11 11 ASN HD21 H 1 7.1 0.005 . 2 . . . . . . . . 5397 1 138 . 1 1 11 11 ASN HD22 H 1 7.67 0.005 . 2 . . . . . . . . 5397 1 139 . 1 1 11 11 ASN C C 13 177.1 0.05 . 1 . . . . . . . . 5397 1 140 . 1 1 11 11 ASN CA C 13 57.1 0.05 . 1 . . . . . . . . 5397 1 141 . 1 1 11 11 ASN CB C 13 39.3 0.05 . 1 . . . . . . . . 5397 1 142 . 1 1 12 12 ALA N N 15 122.4 0.05 . 1 . . . . . . . . 5397 1 143 . 1 1 12 12 ALA H H 1 7.97 0.005 . 1 . . . . . . . . 5397 1 144 . 1 1 12 12 ALA HA H 1 4.05 0.005 . 1 . . . . . . . . 5397 1 145 . 1 1 12 12 ALA HB1 H 1 1.42 0.005 . 1 . . . . . . . . 5397 1 146 . 1 1 12 12 ALA HB2 H 1 1.42 0.005 . 1 . . . . . . . . 5397 1 147 . 1 1 12 12 ALA HB3 H 1 1.42 0.005 . 1 . . . . . . . . 5397 1 148 . 1 1 12 12 ALA C C 13 178.4 0.05 . 1 . . . . . . . . 5397 1 149 . 1 1 12 12 ALA CA C 13 55.5 0.05 . 1 . . . . . . . . 5397 1 150 . 1 1 12 12 ALA CB C 13 18.2 0.05 . 1 . . . . . . . . 5397 1 151 . 1 1 13 13 PHE N N 15 119.1 0.05 . 1 . . . . . . . . 5397 1 152 . 1 1 13 13 PHE H H 1 8.22 0.005 . 1 . . . . . . . . 5397 1 153 . 1 1 13 13 PHE HA H 1 4.02 0.005 . 1 . . . . . . . . 5397 1 154 . 1 1 13 13 PHE HB2 H 1 2.47 0.005 . 2 . . . . . . . . 5397 1 155 . 1 1 13 13 PHE HB3 H 1 2.9 0.005 . 2 . . . . . . . . 5397 1 156 . 1 1 13 13 PHE HD1 H 1 7.21 0.005 . 1 . . . . . . . . 5397 1 157 . 1 1 13 13 PHE HD2 H 1 7.21 0.005 . 1 . . . . . . . . 5397 1 158 . 1 1 13 13 PHE HE1 H 1 7.57 0.005 . 1 . . . . . . . . 5397 1 159 . 1 1 13 13 PHE HE2 H 1 7.57 0.005 . 1 . . . . . . . . 5397 1 160 . 1 1 13 13 PHE HZ H 1 7.54 0.005 . 1 . . . . . . . . 5397 1 161 . 1 1 13 13 PHE C C 13 175.9 0.05 . 1 . . . . . . . . 5397 1 162 . 1 1 13 13 PHE CA C 13 59.5 0.05 . 1 . . . . . . . . 5397 1 163 . 1 1 13 13 PHE CB C 13 39 0.05 . 1 . . . . . . . . 5397 1 164 . 1 1 14 14 TYR N N 15 117.5 0.05 . 1 . . . . . . . . 5397 1 165 . 1 1 14 14 TYR H H 1 8.01 0.005 . 1 . . . . . . . . 5397 1 166 . 1 1 14 14 TYR HA H 1 3.69 0.005 . 1 . . . . . . . . 5397 1 167 . 1 1 14 14 TYR HB2 H 1 3.18 0.005 . 2 . . . . . . . . 5397 1 168 . 1 1 14 14 TYR HB3 H 1 3.46 0.005 . 2 . . . . . . . . 5397 1 169 . 1 1 14 14 TYR HD1 H 1 6.97 0.005 . 1 . . . . . . . . 5397 1 170 . 1 1 14 14 TYR HD2 H 1 6.97 0.005 . 1 . . . . . . . . 5397 1 171 . 1 1 14 14 TYR HE1 H 1 6.52 0.005 . 1 . . . . . . . . 5397 1 172 . 1 1 14 14 TYR HE2 H 1 6.52 0.005 . 1 . . . . . . . . 5397 1 173 . 1 1 14 14 TYR C C 13 177.2 0.05 . 1 . . . . . . . . 5397 1 174 . 1 1 14 14 TYR CA C 13 62.8 0.05 . 1 . . . . . . . . 5397 1 175 . 1 1 14 14 TYR CB C 13 38.9 0.05 . 1 . . . . . . . . 5397 1 176 . 1 1 14 14 TYR CE1 C 13 118.5 0.05 . 1 . . . . . . . . 5397 1 177 . 1 1 14 14 TYR CE2 C 13 118.5 0.05 . 1 . . . . . . . . 5397 1 178 . 1 1 15 15 GLU N N 15 118.6 0.05 . 1 . . . . . . . . 5397 1 179 . 1 1 15 15 GLU H H 1 8.41 0.005 . 1 . . . . . . . . 5397 1 180 . 1 1 15 15 GLU HA H 1 3.87 0.005 . 1 . . . . . . . . 5397 1 181 . 1 1 15 15 GLU HB2 H 1 2.02 0.005 . 2 . . . . . . . . 5397 1 182 . 1 1 15 15 GLU HB3 H 1 2.08 0.005 . 2 . . . . . . . . 5397 1 183 . 1 1 15 15 GLU HG2 H 1 2.32 0.005 . 2 . . . . . . . . 5397 1 184 . 1 1 15 15 GLU HG3 H 1 2.41 0.005 . 2 . . . . . . . . 5397 1 185 . 1 1 15 15 GLU C C 13 180.4 0.05 . 1 . . . . . . . . 5397 1 186 . 1 1 15 15 GLU CA C 13 59.9 0.05 . 1 . . . . . . . . 5397 1 187 . 1 1 15 15 GLU CB C 13 30 0.05 . 1 . . . . . . . . 5397 1 188 . 1 1 15 15 GLU CG C 13 35.9 0.05 . 1 . . . . . . . . 5397 1 189 . 1 1 16 16 ILE N N 15 121.4 0.05 . 1 . . . . . . . . 5397 1 190 . 1 1 16 16 ILE H H 1 8.75 0.005 . 1 . . . . . . . . 5397 1 191 . 1 1 16 16 ILE HA H 1 3.49 0.005 . 1 . . . . . . . . 5397 1 192 . 1 1 16 16 ILE HB H 1 1.91 0.005 . 1 . . . . . . . . 5397 1 193 . 1 1 16 16 ILE HG12 H 1 0.61 0.005 . 2 . . . . . . . . 5397 1 194 . 1 1 16 16 ILE HG13 H 1 1.88 0.005 . 2 . . . . . . . . 5397 1 195 . 1 1 16 16 ILE HG21 H 1 0.85 0.005 . 1 . . . . . . . . 5397 1 196 . 1 1 16 16 ILE HG22 H 1 0.85 0.005 . 1 . . . . . . . . 5397 1 197 . 1 1 16 16 ILE HG23 H 1 0.85 0.005 . 1 . . . . . . . . 5397 1 198 . 1 1 16 16 ILE HD11 H 1 0.62 0.005 . 1 . . . . . . . . 5397 1 199 . 1 1 16 16 ILE HD12 H 1 0.62 0.005 . 1 . . . . . . . . 5397 1 200 . 1 1 16 16 ILE HD13 H 1 0.62 0.005 . 1 . . . . . . . . 5397 1 201 . 1 1 16 16 ILE C C 13 178.4 0.05 . 1 . . . . . . . . 5397 1 202 . 1 1 16 16 ILE CA C 13 65.6 0.05 . 1 . . . . . . . . 5397 1 203 . 1 1 16 16 ILE CB C 13 37.6 0.05 . 1 . . . . . . . . 5397 1 204 . 1 1 16 16 ILE CD1 C 13 13.2 0.05 . 1 . . . . . . . . 5397 1 205 . 1 1 16 16 ILE CG1 C 13 30.8 0.05 . 1 . . . . . . . . 5397 1 206 . 1 1 16 16 ILE CG2 C 13 17.2 0.05 . 1 . . . . . . . . 5397 1 207 . 1 1 17 17 LEU N N 15 118.9 0.05 . 1 . . . . . . . . 5397 1 208 . 1 1 17 17 LEU H H 1 7.8 0.005 . 1 . . . . . . . . 5397 1 209 . 1 1 17 17 LEU HA H 1 3.68 0.005 . 1 . . . . . . . . 5397 1 210 . 1 1 17 17 LEU HB2 H 1 0.82 0.005 . 2 . . . . . . . . 5397 1 211 . 1 1 17 17 LEU HB3 H 1 1.68 0.005 . 2 . . . . . . . . 5397 1 212 . 1 1 17 17 LEU HG H 1 1.44 0.005 . 1 . . . . . . . . 5397 1 213 . 1 1 17 17 LEU HD11 H 1 0.03 0.005 . 1 . . . . . . . . 5397 1 214 . 1 1 17 17 LEU HD12 H 1 0.03 0.005 . 1 . . . . . . . . 5397 1 215 . 1 1 17 17 LEU HD13 H 1 0.03 0.005 . 1 . . . . . . . . 5397 1 216 . 1 1 17 17 LEU HD21 H 1 0.68 0.005 . 1 . . . . . . . . 5397 1 217 . 1 1 17 17 LEU HD22 H 1 0.68 0.005 . 1 . . . . . . . . 5397 1 218 . 1 1 17 17 LEU HD23 H 1 0.68 0.005 . 1 . . . . . . . . 5397 1 219 . 1 1 17 17 LEU C C 13 176.1 0.05 . 1 . . . . . . . . 5397 1 220 . 1 1 17 17 LEU CA C 13 57.4 0.05 . 1 . . . . . . . . 5397 1 221 . 1 1 17 17 LEU CB C 13 42.6 0.05 . 1 . . . . . . . . 5397 1 222 . 1 1 17 17 LEU CG C 13 25.5 0.05 . 1 . . . . . . . . 5397 1 223 . 1 1 17 17 LEU CD1 C 13 25.9 0.05 . 1 . . . . . . . . 5397 1 224 . 1 1 17 17 LEU CD2 C 13 22.6 0.05 . 1 . . . . . . . . 5397 1 225 . 1 1 18 18 HIS N N 15 113.9 0.05 . 1 . . . . . . . . 5397 1 226 . 1 1 18 18 HIS H H 1 7.52 0.005 . 1 . . . . . . . . 5397 1 227 . 1 1 18 18 HIS HA H 1 4 0.005 . 1 . . . . . . . . 5397 1 228 . 1 1 18 18 HIS HB2 H 1 2.74 0.005 . 2 . . . . . . . . 5397 1 229 . 1 1 18 18 HIS HB3 H 1 3.18 0.005 . 2 . . . . . . . . 5397 1 230 . 1 1 18 18 HIS HD2 H 1 6.75 0.005 . 1 . . . . . . . . 5397 1 231 . 1 1 18 18 HIS HE1 H 1 7.17 0.005 . 1 . . . . . . . . 5397 1 232 . 1 1 18 18 HIS C C 13 175.1 0.05 . 1 . . . . . . . . 5397 1 233 . 1 1 18 18 HIS CA C 13 56.8 0.05 . 1 . . . . . . . . 5397 1 234 . 1 1 18 18 HIS CB C 13 30.2 0.05 . 1 . . . . . . . . 5397 1 235 . 1 1 18 18 HIS CD2 C 13 122.9 0.05 . 1 . . . . . . . . 5397 1 236 . 1 1 19 19 LEU N N 15 122.7 0.05 . 1 . . . . . . . . 5397 1 237 . 1 1 19 19 LEU H H 1 7.17 0.005 . 1 . . . . . . . . 5397 1 238 . 1 1 19 19 LEU HA H 1 4.45 0.005 . 1 . . . . . . . . 5397 1 239 . 1 1 19 19 LEU HB3 H 1 1.3 0.005 . 1 . . . . . . . . 5397 1 240 . 1 1 19 19 LEU HB2 H 1 1.8 0.005 . 1 . . . . . . . . 5397 1 241 . 1 1 19 19 LEU HG H 1 2.1 0.005 . 1 . . . . . . . . 5397 1 242 . 1 1 19 19 LEU HD11 H 1 0.7 0.005 . 1 . . . . . . . . 5397 1 243 . 1 1 19 19 LEU HD12 H 1 0.7 0.005 . 1 . . . . . . . . 5397 1 244 . 1 1 19 19 LEU HD13 H 1 0.7 0.005 . 1 . . . . . . . . 5397 1 245 . 1 1 19 19 LEU HD21 H 1 0.83 0.005 . 1 . . . . . . . . 5397 1 246 . 1 1 19 19 LEU HD22 H 1 0.83 0.005 . 1 . . . . . . . . 5397 1 247 . 1 1 19 19 LEU HD23 H 1 0.83 0.005 . 1 . . . . . . . . 5397 1 248 . 1 1 19 19 LEU C C 13 177 0.05 . 1 . . . . . . . . 5397 1 249 . 1 1 19 19 LEU CA C 13 53.1 0.05 . 1 . . . . . . . . 5397 1 250 . 1 1 19 19 LEU CB C 13 40.2 0.05 . 1 . . . . . . . . 5397 1 251 . 1 1 19 19 LEU CG C 13 25.4 0.05 . 1 . . . . . . . . 5397 1 252 . 1 1 19 19 LEU CD1 C 13 27.3 0.05 . 1 . . . . . . . . 5397 1 253 . 1 1 19 19 LEU CD2 C 13 23.2 0.05 . 1 . . . . . . . . 5397 1 254 . 1 1 20 20 PRO HA H 1 4.34 0.005 . 1 . . . . . . . . 5397 1 255 . 1 1 20 20 PRO HB2 H 1 1.96 0.005 . 2 . . . . . . . . 5397 1 256 . 1 1 20 20 PRO HB3 H 1 2.27 0.005 . 2 . . . . . . . . 5397 1 257 . 1 1 20 20 PRO HG2 H 1 2.02 0.005 . 2 . . . . . . . . 5397 1 258 . 1 1 20 20 PRO HG3 H 1 2.13 0.005 . 2 . . . . . . . . 5397 1 259 . 1 1 20 20 PRO HD2 H 1 3.83 0.005 . 2 . . . . . . . . 5397 1 260 . 1 1 20 20 PRO HD3 H 1 4.09 0.005 . 2 . . . . . . . . 5397 1 261 . 1 1 20 20 PRO C C 13 178.2 0.05 . 1 . . . . . . . . 5397 1 262 . 1 1 20 20 PRO CA C 13 65.2 0.05 . 1 . . . . . . . . 5397 1 263 . 1 1 20 20 PRO CB C 13 32.4 0.05 . 1 . . . . . . . . 5397 1 264 . 1 1 20 20 PRO CD C 13 51.7 0.05 . 1 . . . . . . . . 5397 1 265 . 1 1 20 20 PRO CG C 13 27 0.05 . 1 . . . . . . . . 5397 1 266 . 1 1 21 21 ASN N N 15 114.7 0.05 . 1 . . . . . . . . 5397 1 267 . 1 1 21 21 ASN ND2 N 15 115.3 0.05 . 1 . . . . . . . . 5397 1 268 . 1 1 21 21 ASN H H 1 8.84 0.005 . 1 . . . . . . . . 5397 1 269 . 1 1 21 21 ASN HA H 1 4.97 0.005 . 1 . . . . . . . . 5397 1 270 . 1 1 21 21 ASN HB2 H 1 2.85 0.005 . 2 . . . . . . . . 5397 1 271 . 1 1 21 21 ASN HB3 H 1 2.9 0.005 . 2 . . . . . . . . 5397 1 272 . 1 1 21 21 ASN HD21 H 1 6.98 0.005 . 2 . . . . . . . . 5397 1 273 . 1 1 21 21 ASN HD22 H 1 7.39 0.005 . 2 . . . . . . . . 5397 1 274 . 1 1 21 21 ASN C C 13 176.2 0.05 . 1 . . . . . . . . 5397 1 275 . 1 1 21 21 ASN CA C 13 52.9 0.05 . 1 . . . . . . . . 5397 1 276 . 1 1 21 21 ASN CB C 13 38.8 0.05 . 1 . . . . . . . . 5397 1 277 . 1 1 22 22 LEU N N 15 118 0.05 . 1 . . . . . . . . 5397 1 278 . 1 1 22 22 LEU H H 1 6.46 0.005 . 1 . . . . . . . . 5397 1 279 . 1 1 22 22 LEU HA H 1 4.45 0.005 . 1 . . . . . . . . 5397 1 280 . 1 1 22 22 LEU HB2 H 1 1.61 0.005 . 2 . . . . . . . . 5397 1 281 . 1 1 22 22 LEU HB3 H 1 1.68 0.005 . 2 . . . . . . . . 5397 1 282 . 1 1 22 22 LEU HG H 1 1.68 0.005 . 1 . . . . . . . . 5397 1 283 . 1 1 22 22 LEU HD11 H 1 0.97 0.005 . 1 . . . . . . . . 5397 1 284 . 1 1 22 22 LEU HD12 H 1 0.97 0.005 . 1 . . . . . . . . 5397 1 285 . 1 1 22 22 LEU HD13 H 1 0.97 0.005 . 1 . . . . . . . . 5397 1 286 . 1 1 22 22 LEU HD21 H 1 0.89 0.005 . 1 . . . . . . . . 5397 1 287 . 1 1 22 22 LEU HD22 H 1 0.89 0.005 . 1 . . . . . . . . 5397 1 288 . 1 1 22 22 LEU HD23 H 1 0.89 0.005 . 1 . . . . . . . . 5397 1 289 . 1 1 22 22 LEU C C 13 176.5 0.05 . 1 . . . . . . . . 5397 1 290 . 1 1 22 22 LEU CA C 13 54.4 0.05 . 1 . . . . . . . . 5397 1 291 . 1 1 22 22 LEU CB C 13 43.2 0.05 . 1 . . . . . . . . 5397 1 292 . 1 1 22 22 LEU CG C 13 27.4 0.05 . 1 . . . . . . . . 5397 1 293 . 1 1 22 22 LEU CD1 C 13 26.7 0.05 . 1 . . . . . . . . 5397 1 294 . 1 1 22 22 LEU CD2 C 13 22.5 0.05 . 1 . . . . . . . . 5397 1 295 . 1 1 23 23 ASN N N 15 120.2 0.05 . 1 . . . . . . . . 5397 1 296 . 1 1 23 23 ASN ND2 N 15 112.5 0.05 . 1 . . . . . . . . 5397 1 297 . 1 1 23 23 ASN H H 1 8.55 0.005 . 1 . . . . . . . . 5397 1 298 . 1 1 23 23 ASN HA H 1 4.94 0.005 . 1 . . . . . . . . 5397 1 299 . 1 1 23 23 ASN HB3 H 1 2.84 0.005 . 1 . . . . . . . . 5397 1 300 . 1 1 23 23 ASN HB2 H 1 3.29 0.005 . 1 . . . . . . . . 5397 1 301 . 1 1 23 23 ASN HD21 H 1 7.03 0.005 . 2 . . . . . . . . 5397 1 302 . 1 1 23 23 ASN HD22 H 1 7.49 0.005 . 2 . . . . . . . . 5397 1 303 . 1 1 23 23 ASN C C 13 175.9 0.05 . 1 . . . . . . . . 5397 1 304 . 1 1 23 23 ASN CA C 13 51.3 0.05 . 1 . . . . . . . . 5397 1 305 . 1 1 23 23 ASN CB C 13 38.8 0.05 . 1 . . . . . . . . 5397 1 306 . 1 1 24 24 GLU N N 15 119.3 0.05 . 1 . . . . . . . . 5397 1 307 . 1 1 24 24 GLU H H 1 8.58 0.005 . 1 . . . . . . . . 5397 1 308 . 1 1 24 24 GLU HA H 1 3.96 0.005 . 1 . . . . . . . . 5397 1 309 . 1 1 24 24 GLU HB2 H 1 2.06 0.005 . 1 . . . . . . . . 5397 1 310 . 1 1 24 24 GLU HB3 H 1 2.06 0.005 . 1 . . . . . . . . 5397 1 311 . 1 1 24 24 GLU HG2 H 1 2.3 0.005 . 2 . . . . . . . . 5397 1 312 . 1 1 24 24 GLU HG3 H 1 2.36 0.005 . 2 . . . . . . . . 5397 1 313 . 1 1 24 24 GLU C C 13 178.4 0.05 . 1 . . . . . . . . 5397 1 314 . 1 1 24 24 GLU CA C 13 59.9 0.05 . 1 . . . . . . . . 5397 1 315 . 1 1 24 24 GLU CB C 13 29.8 0.05 . 1 . . . . . . . . 5397 1 316 . 1 1 24 24 GLU CG C 13 36.1 0.05 . 1 . . . . . . . . 5397 1 317 . 1 1 25 25 GLU N N 15 120.9 0.05 . 1 . . . . . . . . 5397 1 318 . 1 1 25 25 GLU H H 1 8.29 0.005 . 1 . . . . . . . . 5397 1 319 . 1 1 25 25 GLU HA H 1 4.08 0.005 . 1 . . . . . . . . 5397 1 320 . 1 1 25 25 GLU HB2 H 1 2.07 0.005 . 2 . . . . . . . . 5397 1 321 . 1 1 25 25 GLU HB3 H 1 2.11 0.005 . 2 . . . . . . . . 5397 1 322 . 1 1 25 25 GLU HG2 H 1 2.32 0.005 . 1 . . . . . . . . 5397 1 323 . 1 1 25 25 GLU HG3 H 1 2.32 0.005 . 1 . . . . . . . . 5397 1 324 . 1 1 25 25 GLU C C 13 180.2 0.05 . 1 . . . . . . . . 5397 1 325 . 1 1 25 25 GLU CA C 13 59.9 0.05 . 1 . . . . . . . . 5397 1 326 . 1 1 25 25 GLU CB C 13 29 0.05 . 1 . . . . . . . . 5397 1 327 . 1 1 25 25 GLU CG C 13 36.4 0.05 . 1 . . . . . . . . 5397 1 328 . 1 1 26 26 GLN N N 15 120.8 0.05 . 1 . . . . . . . . 5397 1 329 . 1 1 26 26 GLN NE2 N 15 113.3 0.05 . 1 . . . . . . . . 5397 1 330 . 1 1 26 26 GLN H H 1 8.53 0.005 . 1 . . . . . . . . 5397 1 331 . 1 1 26 26 GLN HA H 1 4.02 0.005 . 1 . . . . . . . . 5397 1 332 . 1 1 26 26 GLN HB3 H 1 1.7 0.005 . 1 . . . . . . . . 5397 1 333 . 1 1 26 26 GLN HB2 H 1 2.49 0.005 . 1 . . . . . . . . 5397 1 334 . 1 1 26 26 GLN HG2 H 1 2.4 0.005 . 2 . . . . . . . . 5397 1 335 . 1 1 26 26 GLN HG3 H 1 2.79 0.005 . 2 . . . . . . . . 5397 1 336 . 1 1 26 26 GLN HE21 H 1 7.6 0.005 . 2 . . . . . . . . 5397 1 337 . 1 1 26 26 GLN HE22 H 1 8.25 0.005 . 2 . . . . . . . . 5397 1 338 . 1 1 26 26 GLN C C 13 178.7 0.05 . 1 . . . . . . . . 5397 1 339 . 1 1 26 26 GLN CA C 13 58.2 0.05 . 1 . . . . . . . . 5397 1 340 . 1 1 26 26 GLN CB C 13 28.8 0.05 . 1 . . . . . . . . 5397 1 341 . 1 1 26 26 GLN CG C 13 34 0.05 . 1 . . . . . . . . 5397 1 342 . 1 1 27 27 ARG N N 15 119.3 0.05 . 1 . . . . . . . . 5397 1 343 . 1 1 27 27 ARG NE N 15 81.3 0.05 . 1 . . . . . . . . 5397 1 344 . 1 1 27 27 ARG H H 1 8.55 0.005 . 1 . . . . . . . . 5397 1 345 . 1 1 27 27 ARG HA H 1 3.86 0.005 . 1 . . . . . . . . 5397 1 346 . 1 1 27 27 ARG HB2 H 1 1.79 0.005 . 2 . . . . . . . . 5397 1 347 . 1 1 27 27 ARG HB3 H 1 1.95 0.005 . 2 . . . . . . . . 5397 1 348 . 1 1 27 27 ARG HG2 H 1 1.56 0.005 . 2 . . . . . . . . 5397 1 349 . 1 1 27 27 ARG HG3 H 1 1.77 0.005 . 2 . . . . . . . . 5397 1 350 . 1 1 27 27 ARG HD2 H 1 3.25 0.005 . 2 . . . . . . . . 5397 1 351 . 1 1 27 27 ARG HD3 H 1 3.3 0.005 . 2 . . . . . . . . 5397 1 352 . 1 1 27 27 ARG HE H 1 8.03 0.005 . 1 . . . . . . . . 5397 1 353 . 1 1 27 27 ARG C C 13 178.1 0.05 . 1 . . . . . . . . 5397 1 354 . 1 1 27 27 ARG CA C 13 61.2 0.05 . 1 . . . . . . . . 5397 1 355 . 1 1 27 27 ARG CB C 13 30.4 0.05 . 1 . . . . . . . . 5397 1 356 . 1 1 27 27 ARG CG C 13 28.2 0.05 . 1 . . . . . . . . 5397 1 357 . 1 1 27 27 ARG CD C 13 42.9 0.05 . 1 . . . . . . . . 5397 1 358 . 1 1 28 28 ASN N N 15 116.4 0.05 . 1 . . . . . . . . 5397 1 359 . 1 1 28 28 ASN ND2 N 15 112.6 0.05 . 1 . . . . . . . . 5397 1 360 . 1 1 28 28 ASN H H 1 8.44 0.005 . 1 . . . . . . . . 5397 1 361 . 1 1 28 28 ASN HA H 1 4.42 0.005 . 1 . . . . . . . . 5397 1 362 . 1 1 28 28 ASN HB2 H 1 2.83 0.005 . 2 . . . . . . . . 5397 1 363 . 1 1 28 28 ASN HB3 H 1 2.97 0.005 . 2 . . . . . . . . 5397 1 364 . 1 1 28 28 ASN HD21 H 1 7.03 0.005 . 2 . . . . . . . . 5397 1 365 . 1 1 28 28 ASN HD22 H 1 7.67 0.005 . 2 . . . . . . . . 5397 1 366 . 1 1 28 28 ASN C C 13 177.3 0.05 . 1 . . . . . . . . 5397 1 367 . 1 1 28 28 ASN CA C 13 56.8 0.05 . 1 . . . . . . . . 5397 1 368 . 1 1 28 28 ASN CB C 13 38.5 0.05 . 1 . . . . . . . . 5397 1 369 . 1 1 29 29 ALA N N 15 123.5 0.05 . 1 . . . . . . . . 5397 1 370 . 1 1 29 29 ALA H H 1 7.95 0.005 . 1 . . . . . . . . 5397 1 371 . 1 1 29 29 ALA HA H 1 4.14 0.005 . 1 . . . . . . . . 5397 1 372 . 1 1 29 29 ALA HB1 H 1 1.37 0.005 . 1 . . . . . . . . 5397 1 373 . 1 1 29 29 ALA HB2 H 1 1.37 0.005 . 1 . . . . . . . . 5397 1 374 . 1 1 29 29 ALA HB3 H 1 1.37 0.005 . 1 . . . . . . . . 5397 1 375 . 1 1 29 29 ALA C C 13 181.1 0.05 . 1 . . . . . . . . 5397 1 376 . 1 1 29 29 ALA CA C 13 55.4 0.05 . 1 . . . . . . . . 5397 1 377 . 1 1 29 29 ALA CB C 13 17.8 0.05 . 1 . . . . . . . . 5397 1 378 . 1 1 30 30 PHE N N 15 117.3 0.05 . 1 . . . . . . . . 5397 1 379 . 1 1 30 30 PHE H H 1 8.15 0.005 . 1 . . . . . . . . 5397 1 380 . 1 1 30 30 PHE HA H 1 4.38 0.005 . 1 . . . . . . . . 5397 1 381 . 1 1 30 30 PHE HB2 H 1 3.06 0.005 . 2 . . . . . . . . 5397 1 382 . 1 1 30 30 PHE HB3 H 1 3.13 0.005 . 2 . . . . . . . . 5397 1 383 . 1 1 30 30 PHE HD1 H 1 7.32 0.005 . 1 . . . . . . . . 5397 1 384 . 1 1 30 30 PHE HD2 H 1 7.32 0.005 . 1 . . . . . . . . 5397 1 385 . 1 1 30 30 PHE HE1 H 1 7.35 0.005 . 1 . . . . . . . . 5397 1 386 . 1 1 30 30 PHE HE2 H 1 7.35 0.005 . 1 . . . . . . . . 5397 1 387 . 1 1 30 30 PHE HZ H 1 7.18 0.005 . 1 . . . . . . . . 5397 1 388 . 1 1 30 30 PHE C C 13 178 0.05 . 1 . . . . . . . . 5397 1 389 . 1 1 30 30 PHE CA C 13 62.7 0.05 . 1 . . . . . . . . 5397 1 390 . 1 1 30 30 PHE CB C 13 39.5 0.05 . 1 . . . . . . . . 5397 1 391 . 1 1 31 31 ILE N N 15 120.1 0.05 . 1 . . . . . . . . 5397 1 392 . 1 1 31 31 ILE H H 1 8.34 0.005 . 1 . . . . . . . . 5397 1 393 . 1 1 31 31 ILE HA H 1 3.78 0.005 . 1 . . . . . . . . 5397 1 394 . 1 1 31 31 ILE HB H 1 2.17 0.005 . 1 . . . . . . . . 5397 1 395 . 1 1 31 31 ILE HG12 H 1 1.34 0.005 . 2 . . . . . . . . 5397 1 396 . 1 1 31 31 ILE HG13 H 1 2.19 0.005 . 2 . . . . . . . . 5397 1 397 . 1 1 31 31 ILE HG21 H 1 1.15 0.005 . 1 . . . . . . . . 5397 1 398 . 1 1 31 31 ILE HG22 H 1 1.15 0.005 . 1 . . . . . . . . 5397 1 399 . 1 1 31 31 ILE HG23 H 1 1.15 0.005 . 1 . . . . . . . . 5397 1 400 . 1 1 31 31 ILE HD11 H 1 1.11 0.005 . 1 . . . . . . . . 5397 1 401 . 1 1 31 31 ILE HD12 H 1 1.11 0.005 . 1 . . . . . . . . 5397 1 402 . 1 1 31 31 ILE HD13 H 1 1.11 0.005 . 1 . . . . . . . . 5397 1 403 . 1 1 31 31 ILE C C 13 177.1 0.05 . 1 . . . . . . . . 5397 1 404 . 1 1 31 31 ILE CA C 13 66.2 0.05 . 1 . . . . . . . . 5397 1 405 . 1 1 31 31 ILE CB C 13 37.8 0.05 . 1 . . . . . . . . 5397 1 406 . 1 1 31 31 ILE CG1 C 13 31.5 0.05 . 1 . . . . . . . . 5397 1 407 . 1 1 31 31 ILE CG2 C 13 18.5 0.05 . 1 . . . . . . . . 5397 1 408 . 1 1 31 31 ILE CD1 C 13 14.9 0.05 . 1 . . . . . . . . 5397 1 409 . 1 1 32 32 GLN N N 15 120 0.05 . 1 . . . . . . . . 5397 1 410 . 1 1 32 32 GLN NE2 N 15 115.2 0.05 . 1 . . . . . . . . 5397 1 411 . 1 1 32 32 GLN H H 1 8.39 0.005 . 1 . . . . . . . . 5397 1 412 . 1 1 32 32 GLN HA H 1 3.89 0.005 . 1 . . . . . . . . 5397 1 413 . 1 1 32 32 GLN HB2 H 1 2.12 0.005 . 2 . . . . . . . . 5397 1 414 . 1 1 32 32 GLN HB3 H 1 2.16 0.005 . 2 . . . . . . . . 5397 1 415 . 1 1 32 32 GLN HG2 H 1 2.37 0.005 . 1 . . . . . . . . 5397 1 416 . 1 1 32 32 GLN HG3 H 1 2.37 0.005 . 1 . . . . . . . . 5397 1 417 . 1 1 32 32 GLN HE21 H 1 6.72 0.005 . 2 . . . . . . . . 5397 1 418 . 1 1 32 32 GLN HE22 H 1 7.78 0.005 . 2 . . . . . . . . 5397 1 419 . 1 1 32 32 GLN C C 13 178.6 0.05 . 1 . . . . . . . . 5397 1 420 . 1 1 32 32 GLN CA C 13 58.9 0.05 . 1 . . . . . . . . 5397 1 421 . 1 1 32 32 GLN CB C 13 28 0.05 . 1 . . . . . . . . 5397 1 422 . 1 1 32 32 GLN CG C 13 33.4 0.05 . 1 . . . . . . . . 5397 1 423 . 1 1 33 33 SER N N 15 116.1 0.05 . 1 . . . . . . . . 5397 1 424 . 1 1 33 33 SER H H 1 8.1 0.005 . 1 . . . . . . . . 5397 1 425 . 1 1 33 33 SER HA H 1 4.29 0.005 . 1 . . . . . . . . 5397 1 426 . 1 1 33 33 SER HB3 H 1 4.04 0.005 . 1 . . . . . . . . 5397 1 427 . 1 1 33 33 SER HB2 H 1 4.11 0.005 . 1 . . . . . . . . 5397 1 428 . 1 1 33 33 SER C C 13 175.8 0.05 . 1 . . . . . . . . 5397 1 429 . 1 1 33 33 SER CA C 13 62.7 0.05 . 1 . . . . . . . . 5397 1 430 . 1 1 33 33 SER CB C 13 63.5 0.05 . 1 . . . . . . . . 5397 1 431 . 1 1 34 34 LEU N N 15 124 0.05 . 1 . . . . . . . . 5397 1 432 . 1 1 34 34 LEU H H 1 8.26 0.005 . 1 . . . . . . . . 5397 1 433 . 1 1 34 34 LEU HA H 1 3.91 0.005 . 1 . . . . . . . . 5397 1 434 . 1 1 34 34 LEU HB2 H 1 1.96 0.005 . 1 . . . . . . . . 5397 1 435 . 1 1 34 34 LEU HB3 H 1 1.96 0.005 . 1 . . . . . . . . 5397 1 436 . 1 1 34 34 LEU HG H 1 1.88 0.005 . 1 . . . . . . . . 5397 1 437 . 1 1 34 34 LEU HD11 H 1 0.87 0.005 . 1 . . . . . . . . 5397 1 438 . 1 1 34 34 LEU HD12 H 1 0.87 0.005 . 1 . . . . . . . . 5397 1 439 . 1 1 34 34 LEU HD13 H 1 0.87 0.005 . 1 . . . . . . . . 5397 1 440 . 1 1 34 34 LEU HD21 H 1 0.79 0.005 . 1 . . . . . . . . 5397 1 441 . 1 1 34 34 LEU HD22 H 1 0.79 0.005 . 1 . . . . . . . . 5397 1 442 . 1 1 34 34 LEU HD23 H 1 0.79 0.005 . 1 . . . . . . . . 5397 1 443 . 1 1 34 34 LEU C C 13 178.2 0.05 . 1 . . . . . . . . 5397 1 444 . 1 1 34 34 LEU CA C 13 57.4 0.05 . 1 . . . . . . . . 5397 1 445 . 1 1 34 34 LEU CB C 13 43.1 0.05 . 1 . . . . . . . . 5397 1 446 . 1 1 34 34 LEU CG C 13 26.8 0.05 . 1 . . . . . . . . 5397 1 447 . 1 1 34 34 LEU CD1 C 13 25 0.05 . 1 . . . . . . . . 5397 1 448 . 1 1 34 34 LEU CD2 C 13 25.8 0.05 . 1 . . . . . . . . 5397 1 449 . 1 1 35 35 LYS N N 15 117.1 0.05 . 1 . . . . . . . . 5397 1 450 . 1 1 35 35 LYS H H 1 7.85 0.005 . 1 . . . . . . . . 5397 1 451 . 1 1 35 35 LYS HA H 1 4.07 0.005 . 1 . . . . . . . . 5397 1 452 . 1 1 35 35 LYS HB3 H 1 1.87 0.005 . 1 . . . . . . . . 5397 1 453 . 1 1 35 35 LYS HB2 H 1 1.96 0.005 . 1 . . . . . . . . 5397 1 454 . 1 1 35 35 LYS HG2 H 1 1.32 0.005 . 2 . . . . . . . . 5397 1 455 . 1 1 35 35 LYS HG3 H 1 1.37 0.005 . 2 . . . . . . . . 5397 1 456 . 1 1 35 35 LYS HD2 H 1 1.23 0.005 . 2 . . . . . . . . 5397 1 457 . 1 1 35 35 LYS HD3 H 1 1.34 0.005 . 2 . . . . . . . . 5397 1 458 . 1 1 35 35 LYS HE2 H 1 1.81 0.005 . 2 . . . . . . . . 5397 1 459 . 1 1 35 35 LYS HE3 H 1 2.42 0.005 . 2 . . . . . . . . 5397 1 460 . 1 1 35 35 LYS C C 13 178.8 0.05 . 1 . . . . . . . . 5397 1 461 . 1 1 35 35 LYS CA C 13 57.7 0.05 . 1 . . . . . . . . 5397 1 462 . 1 1 35 35 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 5397 1 463 . 1 1 35 35 LYS CG C 13 24.7 0.05 . 1 . . . . . . . . 5397 1 464 . 1 1 35 35 LYS CD C 13 29.1 0.05 . 1 . . . . . . . . 5397 1 465 . 1 1 35 35 LYS CE C 13 41.3 0.05 . 1 . . . . . . . . 5397 1 466 . 1 1 36 36 ASP N N 15 119.3 0.05 . 1 . . . . . . . . 5397 1 467 . 1 1 36 36 ASP H H 1 8.12 0.005 . 1 . . . . . . . . 5397 1 468 . 1 1 36 36 ASP HA H 1 4.47 0.005 . 1 . . . . . . . . 5397 1 469 . 1 1 36 36 ASP HB2 H 1 2.71 0.005 . 2 . . . . . . . . 5397 1 470 . 1 1 36 36 ASP HB3 H 1 2.75 0.005 . 2 . . . . . . . . 5397 1 471 . 1 1 36 36 ASP C C 13 177.2 0.05 . 1 . . . . . . . . 5397 1 472 . 1 1 36 36 ASP CA C 13 56.8 0.05 . 1 . . . . . . . . 5397 1 473 . 1 1 36 36 ASP CB C 13 41.4 0.05 . 1 . . . . . . . . 5397 1 474 . 1 1 37 37 ASP N N 15 115.9 0.05 . 1 . . . . . . . . 5397 1 475 . 1 1 37 37 ASP H H 1 7.77 0.005 . 1 . . . . . . . . 5397 1 476 . 1 1 37 37 ASP HA H 1 5.04 0.005 . 1 . . . . . . . . 5397 1 477 . 1 1 37 37 ASP HB3 H 1 3.01 0.005 . 1 . . . . . . . . 5397 1 478 . 1 1 37 37 ASP HB2 H 1 2.48 0.005 . 1 . . . . . . . . 5397 1 479 . 1 1 37 37 ASP C C 13 173.2 0.05 . 1 . . . . . . . . 5397 1 480 . 1 1 37 37 ASP CA C 13 51.5 0.05 . 1 . . . . . . . . 5397 1 481 . 1 1 37 37 ASP CB C 13 40.7 0.05 . 1 . . . . . . . . 5397 1 482 . 1 1 38 38 PRO HA H 1 4.45 0.005 . 1 . . . . . . . . 5397 1 483 . 1 1 38 38 PRO HB2 H 1 1.97 0.005 . 2 . . . . . . . . 5397 1 484 . 1 1 38 38 PRO HB3 H 1 2.43 0.005 . 2 . . . . . . . . 5397 1 485 . 1 1 38 38 PRO HG2 H 1 2.11 0.005 . 2 . . . . . . . . 5397 1 486 . 1 1 38 38 PRO HG3 H 1 2.22 0.005 . 2 . . . . . . . . 5397 1 487 . 1 1 38 38 PRO HD2 H 1 3.61 0.005 . 2 . . . . . . . . 5397 1 488 . 1 1 38 38 PRO HD3 H 1 3.88 0.005 . 2 . . . . . . . . 5397 1 489 . 1 1 38 38 PRO C C 13 178.5 0.05 . 1 . . . . . . . . 5397 1 490 . 1 1 38 38 PRO CA C 13 64.6 0.05 . 1 . . . . . . . . 5397 1 491 . 1 1 38 38 PRO CB C 13 32.5 0.05 . 1 . . . . . . . . 5397 1 492 . 1 1 38 38 PRO CG C 13 27.1 0.05 . 1 . . . . . . . . 5397 1 493 . 1 1 38 38 PRO CD C 13 50.5 0.05 . 1 . . . . . . . . 5397 1 494 . 1 1 39 39 SER N N 15 114.1 0.05 . 1 . . . . . . . . 5397 1 495 . 1 1 39 39 SER H H 1 8.14 0.005 . 1 . . . . . . . . 5397 1 496 . 1 1 39 39 SER HA H 1 3.68 0.005 . 1 . . . . . . . . 5397 1 497 . 1 1 39 39 SER HB2 H 1 3.89 0.005 . 1 . . . . . . . . 5397 1 498 . 1 1 39 39 SER HB3 H 1 3.89 0.005 . 1 . . . . . . . . 5397 1 499 . 1 1 39 39 SER C C 13 176.1 0.05 . 1 . . . . . . . . 5397 1 500 . 1 1 39 39 SER CA C 13 60.7 0.05 . 1 . . . . . . . . 5397 1 501 . 1 1 39 39 SER CB C 13 63.1 0.05 . 1 . . . . . . . . 5397 1 502 . 1 1 40 40 GLN N N 15 120.9 0.05 . 1 . . . . . . . . 5397 1 503 . 1 1 40 40 GLN NE2 N 15 114.8 0.05 . 1 . . . . . . . . 5397 1 504 . 1 1 40 40 GLN H H 1 7.71 0.005 . 1 . . . . . . . . 5397 1 505 . 1 1 40 40 GLN HA H 1 4.64 0.005 . 1 . . . . . . . . 5397 1 506 . 1 1 40 40 GLN HB2 H 1 1.96 0.005 . 2 . . . . . . . . 5397 1 507 . 1 1 40 40 GLN HB3 H 1 2.65 0.005 . 2 . . . . . . . . 5397 1 508 . 1 1 40 40 GLN HG2 H 1 2.24 0.005 . 2 . . . . . . . . 5397 1 509 . 1 1 40 40 GLN HG3 H 1 2.44 0.005 . 2 . . . . . . . . 5397 1 510 . 1 1 40 40 GLN HE21 H 1 6.82 0.005 . 2 . . . . . . . . 5397 1 511 . 1 1 40 40 GLN HE22 H 1 7.49 0.005 . 2 . . . . . . . . 5397 1 512 . 1 1 40 40 GLN C C 13 176.1 0.05 . 1 . . . . . . . . 5397 1 513 . 1 1 40 40 GLN CA C 13 55 0.05 . 1 . . . . . . . . 5397 1 514 . 1 1 40 40 GLN CB C 13 28.3 0.05 . 1 . . . . . . . . 5397 1 515 . 1 1 40 40 GLN CG C 13 33.5 0.05 . 1 . . . . . . . . 5397 1 516 . 1 1 41 41 SER N N 15 116.5 0.05 . 1 . . . . . . . . 5397 1 517 . 1 1 41 41 SER H H 1 7.52 0.005 . 1 . . . . . . . . 5397 1 518 . 1 1 41 41 SER HA H 1 3.8 0.005 . 1 . . . . . . . . 5397 1 519 . 1 1 41 41 SER HB2 H 1 3.68 0.005 . 1 . . . . . . . . 5397 1 520 . 1 1 41 41 SER HB3 H 1 3.68 0.005 . 1 . . . . . . . . 5397 1 521 . 1 1 41 41 SER C C 13 174.4 0.05 . 1 . . . . . . . . 5397 1 522 . 1 1 41 41 SER CA C 13 64.1 0.05 . 1 . . . . . . . . 5397 1 523 . 1 1 41 41 SER CB C 13 63.2 0.05 . 1 . . . . . . . . 5397 1 524 . 1 1 42 42 ALA N N 15 123.2 0.05 . 1 . . . . . . . . 5397 1 525 . 1 1 42 42 ALA H H 1 8.51 0.005 . 1 . . . . . . . . 5397 1 526 . 1 1 42 42 ALA HA H 1 4.11 0.005 . 1 . . . . . . . . 5397 1 527 . 1 1 42 42 ALA HB1 H 1 1.42 0.005 . 1 . . . . . . . . 5397 1 528 . 1 1 42 42 ALA HB2 H 1 1.42 0.005 . 1 . . . . . . . . 5397 1 529 . 1 1 42 42 ALA HB3 H 1 1.42 0.005 . 1 . . . . . . . . 5397 1 530 . 1 1 42 42 ALA C C 13 181 0.05 . 1 . . . . . . . . 5397 1 531 . 1 1 42 42 ALA CA C 13 55.5 0.05 . 1 . . . . . . . . 5397 1 532 . 1 1 42 42 ALA CB C 13 17.9 0.05 . 1 . . . . . . . . 5397 1 533 . 1 1 43 43 ASN N N 15 119.7 0.05 . 1 . . . . . . . . 5397 1 534 . 1 1 43 43 ASN ND2 N 15 113.5 0.05 . 1 . . . . . . . . 5397 1 535 . 1 1 43 43 ASN H H 1 7.94 0.005 . 1 . . . . . . . . 5397 1 536 . 1 1 43 43 ASN HA H 1 4.52 0.005 . 1 . . . . . . . . 5397 1 537 . 1 1 43 43 ASN HB2 H 1 2.89 0.005 . 1 . . . . . . . . 5397 1 538 . 1 1 43 43 ASN HB3 H 1 2.89 0.005 . 1 . . . . . . . . 5397 1 539 . 1 1 43 43 ASN HD21 H 1 6.96 0.005 . 2 . . . . . . . . 5397 1 540 . 1 1 43 43 ASN HD22 H 1 7.76 0.005 . 2 . . . . . . . . 5397 1 541 . 1 1 43 43 ASN C C 13 178 0.05 . 1 . . . . . . . . 5397 1 542 . 1 1 43 43 ASN CA C 13 55.9 0.05 . 1 . . . . . . . . 5397 1 543 . 1 1 43 43 ASN CB C 13 38 0.05 . 1 . . . . . . . . 5397 1 544 . 1 1 44 44 LEU N N 15 122.8 0.05 . 1 . . . . . . . . 5397 1 545 . 1 1 44 44 LEU H H 1 8.66 0.005 . 1 . . . . . . . . 5397 1 546 . 1 1 44 44 LEU HA H 1 4.2 0.005 . 1 . . . . . . . . 5397 1 547 . 1 1 44 44 LEU HB3 H 1 1.34 0.005 . 1 . . . . . . . . 5397 1 548 . 1 1 44 44 LEU HB2 H 1 1.91 0.005 . 1 . . . . . . . . 5397 1 549 . 1 1 44 44 LEU HG H 1 1.88 0.005 . 1 . . . . . . . . 5397 1 550 . 1 1 44 44 LEU HD11 H 1 0.84 0.005 . 1 . . . . . . . . 5397 1 551 . 1 1 44 44 LEU HD12 H 1 0.84 0.005 . 1 . . . . . . . . 5397 1 552 . 1 1 44 44 LEU HD13 H 1 0.84 0.005 . 1 . . . . . . . . 5397 1 553 . 1 1 44 44 LEU HD21 H 1 1.12 0.005 . 1 . . . . . . . . 5397 1 554 . 1 1 44 44 LEU HD22 H 1 1.12 0.005 . 1 . . . . . . . . 5397 1 555 . 1 1 44 44 LEU HD23 H 1 1.12 0.005 . 1 . . . . . . . . 5397 1 556 . 1 1 44 44 LEU C C 13 178.7 0.05 . 1 . . . . . . . . 5397 1 557 . 1 1 44 44 LEU CA C 13 58 0.05 . 1 . . . . . . . . 5397 1 558 . 1 1 44 44 LEU CB C 13 42.4 0.05 . 1 . . . . . . . . 5397 1 559 . 1 1 44 44 LEU CG C 13 27.4 0.05 . 1 . . . . . . . . 5397 1 560 . 1 1 44 44 LEU CD1 C 13 26.1 0.05 . 1 . . . . . . . . 5397 1 561 . 1 1 44 44 LEU CD2 C 13 23.6 0.05 . 1 . . . . . . . . 5397 1 562 . 1 1 45 45 LEU N N 15 119.6 0.05 . 1 . . . . . . . . 5397 1 563 . 1 1 45 45 LEU H H 1 8.22 0.005 . 1 . . . . . . . . 5397 1 564 . 1 1 45 45 LEU HA H 1 3.85 0.005 . 1 . . . . . . . . 5397 1 565 . 1 1 45 45 LEU HB2 H 1 1.49 0.005 . 2 . . . . . . . . 5397 1 566 . 1 1 45 45 LEU HB3 H 1 1.89 0.005 . 2 . . . . . . . . 5397 1 567 . 1 1 45 45 LEU HD11 H 1 0.91 0.005 . 1 . . . . . . . . 5397 1 568 . 1 1 45 45 LEU HD12 H 1 0.91 0.005 . 1 . . . . . . . . 5397 1 569 . 1 1 45 45 LEU HD13 H 1 0.91 0.005 . 1 . . . . . . . . 5397 1 570 . 1 1 45 45 LEU HD21 H 1 0.89 0.005 . 1 . . . . . . . . 5397 1 571 . 1 1 45 45 LEU HD22 H 1 0.89 0.005 . 1 . . . . . . . . 5397 1 572 . 1 1 45 45 LEU HD23 H 1 0.89 0.005 . 1 . . . . . . . . 5397 1 573 . 1 1 45 45 LEU HG H 1 1.58 0.005 . 1 . . . . . . . . 5397 1 574 . 1 1 45 45 LEU C C 13 178.1 0.05 . 1 . . . . . . . . 5397 1 575 . 1 1 45 45 LEU CA C 13 58 0.05 . 1 . . . . . . . . 5397 1 576 . 1 1 45 45 LEU CB C 13 41.8 0.05 . 1 . . . . . . . . 5397 1 577 . 1 1 45 45 LEU CD1 C 13 24 0.05 . 1 . . . . . . . . 5397 1 578 . 1 1 45 45 LEU CD2 C 13 25.2 0.05 . 1 . . . . . . . . 5397 1 579 . 1 1 45 45 LEU CG C 13 27 0.05 . 1 . . . . . . . . 5397 1 580 . 1 1 46 46 ALA N N 15 120.9 0.05 . 1 . . . . . . . . 5397 1 581 . 1 1 46 46 ALA H H 1 7.68 0.005 . 1 . . . . . . . . 5397 1 582 . 1 1 46 46 ALA HA H 1 4.04 0.005 . 1 . . . . . . . . 5397 1 583 . 1 1 46 46 ALA HB1 H 1 1.55 0.005 . 1 . . . . . . . . 5397 1 584 . 1 1 46 46 ALA HB2 H 1 1.55 0.005 . 1 . . . . . . . . 5397 1 585 . 1 1 46 46 ALA HB3 H 1 1.55 0.005 . 1 . . . . . . . . 5397 1 586 . 1 1 46 46 ALA C C 13 181.3 0.05 . 1 . . . . . . . . 5397 1 587 . 1 1 46 46 ALA CA C 13 55.4 0.05 . 1 . . . . . . . . 5397 1 588 . 1 1 46 46 ALA CB C 13 17.8 0.05 . 1 . . . . . . . . 5397 1 589 . 1 1 47 47 GLU N N 15 120.4 0.05 . 1 . . . . . . . . 5397 1 590 . 1 1 47 47 GLU H H 1 8.13 0.005 . 1 . . . . . . . . 5397 1 591 . 1 1 47 47 GLU HA H 1 4.05 0.005 . 1 . . . . . . . . 5397 1 592 . 1 1 47 47 GLU HB2 H 1 2.3 0.005 . 1 . . . . . . . . 5397 1 593 . 1 1 47 47 GLU HB3 H 1 2.3 0.005 . 1 . . . . . . . . 5397 1 594 . 1 1 47 47 GLU HG2 H 1 2.5 0.005 . 1 . . . . . . . . 5397 1 595 . 1 1 47 47 GLU HG3 H 1 2.5 0.005 . 1 . . . . . . . . 5397 1 596 . 1 1 47 47 GLU C C 13 179 0.05 . 1 . . . . . . . . 5397 1 597 . 1 1 47 47 GLU CA C 13 59.2 0.05 . 1 . . . . . . . . 5397 1 598 . 1 1 47 47 GLU CB C 13 29.5 0.05 . 1 . . . . . . . . 5397 1 599 . 1 1 47 47 GLU CG C 13 36 0.05 . 1 . . . . . . . . 5397 1 600 . 1 1 48 48 ALA N N 15 124.8 0.05 . 1 . . . . . . . . 5397 1 601 . 1 1 48 48 ALA H H 1 8.43 0.005 . 1 . . . . . . . . 5397 1 602 . 1 1 48 48 ALA HA H 1 3.52 0.005 . 1 . . . . . . . . 5397 1 603 . 1 1 48 48 ALA HB1 H 1 0.52 0.005 . 1 . . . . . . . . 5397 1 604 . 1 1 48 48 ALA HB2 H 1 0.52 0.005 . 1 . . . . . . . . 5397 1 605 . 1 1 48 48 ALA HB3 H 1 0.52 0.005 . 1 . . . . . . . . 5397 1 606 . 1 1 48 48 ALA C C 13 179.6 0.05 . 1 . . . . . . . . 5397 1 607 . 1 1 48 48 ALA CA C 13 55.5 0.05 . 1 . . . . . . . . 5397 1 608 . 1 1 48 48 ALA CB C 13 17 0.05 . 1 . . . . . . . . 5397 1 609 . 1 1 49 49 LYS N N 15 119.1 0.05 . 1 . . . . . . . . 5397 1 610 . 1 1 49 49 LYS H H 1 8.41 0.005 . 1 . . . . . . . . 5397 1 611 . 1 1 49 49 LYS HA H 1 3.77 0.005 . 1 . . . . . . . . 5397 1 612 . 1 1 49 49 LYS HB3 H 1 1.95 0.005 . 1 . . . . . . . . 5397 1 613 . 1 1 49 49 LYS HB2 H 1 1.81 0.005 . 1 . . . . . . . . 5397 1 614 . 1 1 49 49 LYS HG2 H 1 1.35 0.005 . 2 . . . . . . . . 5397 1 615 . 1 1 49 49 LYS HG3 H 1 1.61 0.005 . 2 . . . . . . . . 5397 1 616 . 1 1 49 49 LYS HD2 H 1 1.61 0.005 . 2 . . . . . . . . 5397 1 617 . 1 1 49 49 LYS HD3 H 1 1.68 0.005 . 2 . . . . . . . . 5397 1 618 . 1 1 49 49 LYS HE2 H 1 2.83 0.005 . 2 . . . . . . . . 5397 1 619 . 1 1 49 49 LYS HE3 H 1 2.93 0.005 . 2 . . . . . . . . 5397 1 620 . 1 1 49 49 LYS C C 13 178.7 0.05 . 1 . . . . . . . . 5397 1 621 . 1 1 49 49 LYS CA C 13 60.4 0.05 . 1 . . . . . . . . 5397 1 622 . 1 1 49 49 LYS CB C 13 32.2 0.05 . 1 . . . . . . . . 5397 1 623 . 1 1 49 49 LYS CG C 13 26.6 0.05 . 1 . . . . . . . . 5397 1 624 . 1 1 49 49 LYS CD C 13 29.3 0.05 . 1 . . . . . . . . 5397 1 625 . 1 1 49 49 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 5397 1 626 . 1 1 50 50 LYS N N 15 120.9 0.05 . 1 . . . . . . . . 5397 1 627 . 1 1 50 50 LYS H H 1 7.71 0.005 . 1 . . . . . . . . 5397 1 628 . 1 1 50 50 LYS HA H 1 4.1 0.005 . 1 . . . . . . . . 5397 1 629 . 1 1 50 50 LYS HB2 H 1 1.96 0.005 . 1 . . . . . . . . 5397 1 630 . 1 1 50 50 LYS HB3 H 1 1.96 0.005 . 1 . . . . . . . . 5397 1 631 . 1 1 50 50 LYS HD2 H 1 1.73 0.005 . 1 . . . . . . . . 5397 1 632 . 1 1 50 50 LYS HD3 H 1 1.73 0.005 . 1 . . . . . . . . 5397 1 633 . 1 1 50 50 LYS HG2 H 1 1.43 0.005 . 2 . . . . . . . . 5397 1 634 . 1 1 50 50 LYS HG3 H 1 1.63 0.005 . 2 . . . . . . . . 5397 1 635 . 1 1 50 50 LYS HE2 H 1 2.97 0.005 . 1 . . . . . . . . 5397 1 636 . 1 1 50 50 LYS HE3 H 1 2.97 0.005 . 1 . . . . . . . . 5397 1 637 . 1 1 50 50 LYS C C 13 179.9 0.05 . 1 . . . . . . . . 5397 1 638 . 1 1 50 50 LYS CA C 13 59.9 0.05 . 1 . . . . . . . . 5397 1 639 . 1 1 50 50 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 5397 1 640 . 1 1 50 50 LYS CD C 13 29.5 0.05 . 1 . . . . . . . . 5397 1 641 . 1 1 50 50 LYS CG C 13 25.1 0.05 . 1 . . . . . . . . 5397 1 642 . 1 1 50 50 LYS CE C 13 41.9 0.05 . 1 . . . . . . . . 5397 1 643 . 1 1 51 51 LEU N N 15 122.9 0.05 . 1 . . . . . . . . 5397 1 644 . 1 1 51 51 LEU H H 1 8 0.005 . 1 . . . . . . . . 5397 1 645 . 1 1 51 51 LEU HA H 1 4.2 0.005 . 1 . . . . . . . . 5397 1 646 . 1 1 51 51 LEU HB2 H 1 1.74 0.005 . 2 . . . . . . . . 5397 1 647 . 1 1 51 51 LEU HB3 H 1 1.78 0.005 . 2 . . . . . . . . 5397 1 648 . 1 1 51 51 LEU HD11 H 1 1 0.005 . 1 . . . . . . . . 5397 1 649 . 1 1 51 51 LEU HD12 H 1 1 0.005 . 1 . . . . . . . . 5397 1 650 . 1 1 51 51 LEU HD13 H 1 1 0.005 . 1 . . . . . . . . 5397 1 651 . 1 1 51 51 LEU HD21 H 1 1.02 0.005 . 1 . . . . . . . . 5397 1 652 . 1 1 51 51 LEU HD22 H 1 1.02 0.005 . 1 . . . . . . . . 5397 1 653 . 1 1 51 51 LEU HD23 H 1 1.02 0.005 . 1 . . . . . . . . 5397 1 654 . 1 1 51 51 LEU HG H 1 1.59 0.005 . 1 . . . . . . . . 5397 1 655 . 1 1 51 51 LEU C C 13 178.2 0.05 . 1 . . . . . . . . 5397 1 656 . 1 1 51 51 LEU CA C 13 57.5 0.05 . 1 . . . . . . . . 5397 1 657 . 1 1 51 51 LEU CB C 13 42.1 0.05 . 1 . . . . . . . . 5397 1 658 . 1 1 51 51 LEU CG C 13 26.9 0.05 . 1 . . . . . . . . 5397 1 659 . 1 1 51 51 LEU CD1 C 13 23.7 0.05 . 1 . . . . . . . . 5397 1 660 . 1 1 51 51 LEU CD2 C 13 25 0.05 . 1 . . . . . . . . 5397 1 661 . 1 1 52 52 ASN N N 15 117.6 0.05 . 1 . . . . . . . . 5397 1 662 . 1 1 52 52 ASN ND2 N 15 116.8 0.05 . 1 . . . . . . . . 5397 1 663 . 1 1 52 52 ASN H H 1 8.51 0.005 . 1 . . . . . . . . 5397 1 664 . 1 1 52 52 ASN HA H 1 3.96 0.005 . 1 . . . . . . . . 5397 1 665 . 1 1 52 52 ASN HB2 H 1 2.38 0.005 . 2 . . . . . . . . 5397 1 666 . 1 1 52 52 ASN HB3 H 1 3.13 0.005 . 2 . . . . . . . . 5397 1 667 . 1 1 52 52 ASN HD21 H 1 6.84 0.005 . 2 . . . . . . . . 5397 1 668 . 1 1 52 52 ASN HD22 H 1 7.89 0.005 . 2 . . . . . . . . 5397 1 669 . 1 1 52 52 ASN C C 13 177.7 0.05 . 1 . . . . . . . . 5397 1 670 . 1 1 52 52 ASN CA C 13 58 0.05 . 1 . . . . . . . . 5397 1 671 . 1 1 52 52 ASN CB C 13 41.9 0.05 . 1 . . . . . . . . 5397 1 672 . 1 1 53 53 ASP N N 15 119.7 0.05 . 1 . . . . . . . . 5397 1 673 . 1 1 53 53 ASP H H 1 8.23 0.005 . 1 . . . . . . . . 5397 1 674 . 1 1 53 53 ASP HA H 1 4.46 0.005 . 1 . . . . . . . . 5397 1 675 . 1 1 53 53 ASP HB2 H 1 2.72 0.005 . 2 . . . . . . . . 5397 1 676 . 1 1 53 53 ASP HB3 H 1 2.77 0.005 . 2 . . . . . . . . 5397 1 677 . 1 1 53 53 ASP C C 13 178.9 0.05 . 1 . . . . . . . . 5397 1 678 . 1 1 53 53 ASP CA C 13 57 0.05 . 1 . . . . . . . . 5397 1 679 . 1 1 53 53 ASP CB C 13 40.1 0.05 . 1 . . . . . . . . 5397 1 680 . 1 1 54 54 ALA N N 15 123.7 0.05 . 1 . . . . . . . . 5397 1 681 . 1 1 54 54 ALA H H 1 8.01 0.005 . 1 . . . . . . . . 5397 1 682 . 1 1 54 54 ALA HA H 1 4.26 0.005 . 1 . . . . . . . . 5397 1 683 . 1 1 54 54 ALA HB1 H 1 1.61 0.005 . 1 . . . . . . . . 5397 1 684 . 1 1 54 54 ALA HB2 H 1 1.61 0.005 . 1 . . . . . . . . 5397 1 685 . 1 1 54 54 ALA HB3 H 1 1.61 0.005 . 1 . . . . . . . . 5397 1 686 . 1 1 54 54 ALA C C 13 179.3 0.05 . 1 . . . . . . . . 5397 1 687 . 1 1 54 54 ALA CA C 13 54.3 0.05 . 1 . . . . . . . . 5397 1 688 . 1 1 54 54 ALA CB C 13 18.5 0.05 . 1 . . . . . . . . 5397 1 689 . 1 1 55 55 GLN N N 15 116 0.05 . 1 . . . . . . . . 5397 1 690 . 1 1 55 55 GLN NE2 N 15 111.6 0.05 . 1 . . . . . . . . 5397 1 691 . 1 1 55 55 GLN H H 1 7.51 0.005 . 1 . . . . . . . . 5397 1 692 . 1 1 55 55 GLN HA H 1 4.4 0.005 . 1 . . . . . . . . 5397 1 693 . 1 1 55 55 GLN HB3 H 1 2.48 0.005 . 1 . . . . . . . . 5397 1 694 . 1 1 55 55 GLN HB2 H 1 1.8 0.005 . 1 . . . . . . . . 5397 1 695 . 1 1 55 55 GLN HG2 H 1 2.31 0.005 . 2 . . . . . . . . 5397 1 696 . 1 1 55 55 GLN HG3 H 1 2.65 0.005 . 2 . . . . . . . . 5397 1 697 . 1 1 55 55 GLN HE21 H 1 7.2 0.005 . 2 . . . . . . . . 5397 1 698 . 1 1 55 55 GLN HE22 H 1 8.65 0.005 . 2 . . . . . . . . 5397 1 699 . 1 1 55 55 GLN C C 13 174.2 0.05 . 1 . . . . . . . . 5397 1 700 . 1 1 55 55 GLN CA C 13 55.1 0.05 . 1 . . . . . . . . 5397 1 701 . 1 1 55 55 GLN CB C 13 28.3 0.05 . 1 . . . . . . . . 5397 1 702 . 1 1 55 55 GLN CG C 13 35.9 0.05 . 1 . . . . . . . . 5397 1 703 . 1 1 56 56 ALA N N 15 125.2 0.05 . 1 . . . . . . . . 5397 1 704 . 1 1 56 56 ALA H H 1 7.12 0.005 . 1 . . . . . . . . 5397 1 705 . 1 1 56 56 ALA HA H 1 4.37 0.005 . 1 . . . . . . . . 5397 1 706 . 1 1 56 56 ALA HB1 H 1 1.45 0.005 . 1 . . . . . . . . 5397 1 707 . 1 1 56 56 ALA HB2 H 1 1.45 0.005 . 1 . . . . . . . . 5397 1 708 . 1 1 56 56 ALA HB3 H 1 1.45 0.005 . 1 . . . . . . . . 5397 1 709 . 1 1 56 56 ALA C C 13 175.6 0.05 . 1 . . . . . . . . 5397 1 710 . 1 1 56 56 ALA CA C 13 51 0.05 . 1 . . . . . . . . 5397 1 711 . 1 1 56 56 ALA CB C 13 17.9 0.05 . 1 . . . . . . . . 5397 1 712 . 1 1 57 57 PRO HA H 1 4.43 0.005 . 1 . . . . . . . . 5397 1 713 . 1 1 57 57 PRO HB2 H 1 1.98 0.005 . 2 . . . . . . . . 5397 1 714 . 1 1 57 57 PRO HB3 H 1 2.32 0.005 . 2 . . . . . . . . 5397 1 715 . 1 1 57 57 PRO HG2 H 1 2.07 0.005 . 2 . . . . . . . . 5397 1 716 . 1 1 57 57 PRO HG3 H 1 2.1 0.005 . 2 . . . . . . . . 5397 1 717 . 1 1 57 57 PRO HD2 H 1 3.63 0.005 . 2 . . . . . . . . 5397 1 718 . 1 1 57 57 PRO HD3 H 1 3.8 0.005 . 2 . . . . . . . . 5397 1 719 . 1 1 57 57 PRO C C 13 176.2 0.05 . 1 . . . . . . . . 5397 1 720 . 1 1 57 57 PRO CA C 13 63.5 0.05 . 1 . . . . . . . . 5397 1 721 . 1 1 57 57 PRO CB C 13 31.9 0.05 . 1 . . . . . . . . 5397 1 722 . 1 1 57 57 PRO CD C 13 50.6 0.05 . 1 . . . . . . . . 5397 1 723 . 1 1 57 57 PRO CG C 13 27.5 0.05 . 1 . . . . . . . . 5397 1 724 . 1 1 58 58 LYS N N 15 128.1 0.05 . 1 . . . . . . . . 5397 1 725 . 1 1 58 58 LYS H H 1 8.01 0.005 . 1 . . . . . . . . 5397 1 726 . 1 1 58 58 LYS HA H 1 4.2 0.005 . 1 . . . . . . . . 5397 1 727 . 1 1 58 58 LYS HB2 H 1 1.71 0.005 . 2 . . . . . . . . 5397 1 728 . 1 1 58 58 LYS HB3 H 1 1.87 0.005 . 2 . . . . . . . . 5397 1 729 . 1 1 58 58 LYS HG2 H 1 1.45 0.005 . 1 . . . . . . . . 5397 1 730 . 1 1 58 58 LYS HG3 H 1 1.45 0.005 . 1 . . . . . . . . 5397 1 731 . 1 1 58 58 LYS HD2 H 1 1.69 0.005 . 1 . . . . . . . . 5397 1 732 . 1 1 58 58 LYS HD3 H 1 1.69 0.005 . 1 . . . . . . . . 5397 1 733 . 1 1 58 58 LYS HE2 H 1 3.04 0.005 . 1 . . . . . . . . 5397 1 734 . 1 1 58 58 LYS HE3 H 1 3.04 0.005 . 1 . . . . . . . . 5397 1 735 . 1 1 58 58 LYS C C 13 181.5 0.05 . 1 . . . . . . . . 5397 1 736 . 1 1 58 58 LYS CA C 13 57.5 0.05 . 1 . . . . . . . . 5397 1 737 . 1 1 58 58 LYS CB C 13 33.9 0.05 . 1 . . . . . . . . 5397 1 738 . 1 1 58 58 LYS CD C 13 29.1 0.05 . 1 . . . . . . . . 5397 1 739 . 1 1 58 58 LYS CE C 13 42.3 0.05 . 1 . . . . . . . . 5397 1 740 . 1 1 58 58 LYS CG C 13 24.7 0.05 . 1 . . . . . . . . 5397 1 stop_ save_ save_shift_set_ZSPA-1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_ZSPA-1 _Assigned_chem_shift_list.Entry_ID 5397 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $Sample_2 . 5397 2 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 . 2 2 1 1 VAL N N 15 118.9 0.05 . 1 . . . . . . . . 5397 2 2 . 2 2 1 1 VAL H H 1 7.83 0.005 . 1 . . . . . . . . 5397 2 3 . 2 2 1 1 VAL HA H 1 4.16 0.005 . 1 . . . . . . . . 5397 2 4 . 2 2 1 1 VAL HB H 1 2.11 0.005 . 1 . . . . . . . . 5397 2 5 . 2 2 1 1 VAL HG11 H 1 0.96 0.005 . 1 . . . . . . . . 5397 2 6 . 2 2 1 1 VAL HG12 H 1 0.96 0.005 . 1 . . . . . . . . 5397 2 7 . 2 2 1 1 VAL HG13 H 1 0.96 0.005 . 1 . . . . . . . . 5397 2 8 . 2 2 1 1 VAL HG21 H 1 0.96 0.005 . 1 . . . . . . . . 5397 2 9 . 2 2 1 1 VAL HG22 H 1 0.96 0.005 . 1 . . . . . . . . 5397 2 10 . 2 2 1 1 VAL HG23 H 1 0.96 0.005 . 1 . . . . . . . . 5397 2 11 . 2 2 1 1 VAL C C 13 175.2 0.05 . 1 . . . . . . . . 5397 2 12 . 2 2 1 1 VAL CA C 13 62.3 0.05 . 1 . . . . . . . . 5397 2 13 . 2 2 1 1 VAL CB C 13 32.8 0.05 . 1 . . . . . . . . 5397 2 14 . 2 2 1 1 VAL CG1 C 13 20.5 0.05 . 1 . . . . . . . . 5397 2 15 . 2 2 1 1 VAL CG2 C 13 20.5 0.05 . 1 . . . . . . . . 5397 2 16 . 2 2 2 2 ASP N N 15 125.3 0.05 . 1 . . . . . . . . 5397 2 17 . 2 2 2 2 ASP H H 1 8.47 0.005 . 1 . . . . . . . . 5397 2 18 . 2 2 2 2 ASP HA H 1 4.73 0.005 . 1 . . . . . . . . 5397 2 19 . 2 2 2 2 ASP HB2 H 1 2.64 0.005 . 2 . . . . . . . . 5397 2 20 . 2 2 2 2 ASP HB3 H 1 2.74 0.005 . 2 . . . . . . . . 5397 2 21 . 2 2 2 2 ASP C C 13 176.0 0.05 . 1 . . . . . . . . 5397 2 22 . 2 2 2 2 ASP CA C 13 54.2 0.05 . 1 . . . . . . . . 5397 2 23 . 2 2 2 2 ASP CB C 13 41.4 0.05 . 1 . . . . . . . . 5397 2 24 . 2 2 3 3 ASN N N 15 121.4 0.05 . 1 . . . . . . . . 5397 2 25 . 2 2 3 3 ASN ND2 N 15 113.3 0.05 . 1 . . . . . . . . 5397 2 26 . 2 2 3 3 ASN H H 1 8.52 0.005 . 1 . . . . . . . . 5397 2 27 . 2 2 3 3 ASN HA H 1 4.70 0.005 . 1 . . . . . . . . 5397 2 28 . 2 2 3 3 ASN HD21 H 1 6.91 0.005 . 2 . . . . . . . . 5397 2 29 . 2 2 3 3 ASN HD22 H 1 7.58 0.005 . 2 . . . . . . . . 5397 2 30 . 2 2 3 3 ASN HB2 H 1 2.79 0.005 . 1 . . . . . . . . 5397 2 31 . 2 2 3 3 ASN HB3 H 1 2.79 0.005 . 1 . . . . . . . . 5397 2 32 . 2 2 3 3 ASN C C 13 175.9 0.05 . 1 . . . . . . . . 5397 2 33 . 2 2 3 3 ASN CA C 13 53.4 0.05 . 1 . . . . . . . . 5397 2 34 . 2 2 3 3 ASN CB C 13 38.9 0.05 . 1 . . . . . . . . 5397 2 35 . 2 2 4 4 LYS N N 15 122.1 0.05 . 1 . . . . . . . . 5397 2 36 . 2 2 4 4 LYS H H 1 8.33 0.005 . 1 . . . . . . . . 5397 2 37 . 2 2 4 4 LYS HA H 1 4.15 0.005 . 1 . . . . . . . . 5397 2 38 . 2 2 4 4 LYS HB2 H 1 1.66 0.005 . 2 . . . . . . . . 5397 2 39 . 2 2 4 4 LYS HB3 H 1 1.70 0.005 . 2 . . . . . . . . 5397 2 40 . 2 2 4 4 LYS HG2 H 1 1.18 0.005 . 1 . . . . . . . . 5397 2 41 . 2 2 4 4 LYS HG3 H 1 1.18 0.005 . 1 . . . . . . . . 5397 2 42 . 2 2 4 4 LYS HD2 H 1 1.57 0.005 . 1 . . . . . . . . 5397 2 43 . 2 2 4 4 LYS HD3 H 1 1.57 0.005 . 1 . . . . . . . . 5397 2 44 . 2 2 4 4 LYS HE2 H 1 2.90 0.005 . 1 . . . . . . . . 5397 2 45 . 2 2 4 4 LYS HE3 H 1 2.90 0.005 . 1 . . . . . . . . 5397 2 46 . 2 2 4 4 LYS C C 13 177.0 0.05 . 1 . . . . . . . . 5397 2 47 . 2 2 4 4 LYS CA C 13 57.7 0.05 . 1 . . . . . . . . 5397 2 48 . 2 2 4 4 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 5397 2 49 . 2 2 4 4 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . 5397 2 50 . 2 2 4 4 LYS CD C 13 29.0 0.05 . 1 . . . . . . . . 5397 2 51 . 2 2 4 4 LYS CE C 13 42.0 0.05 . 1 . . . . . . . . 5397 2 52 . 2 2 5 5 PHE N N 15 119.3 0.05 . 1 . . . . . . . . 5397 2 53 . 2 2 5 5 PHE H H 1 8.19 0.005 . 1 . . . . . . . . 5397 2 54 . 2 2 5 5 PHE HA H 1 4.61 0.005 . 1 . . . . . . . . 5397 2 55 . 2 2 5 5 PHE HB3 H 1 3.14 0.005 . 1 . . . . . . . . 5397 2 56 . 2 2 5 5 PHE HB2 H 1 2.97 0.005 . 1 . . . . . . . . 5397 2 57 . 2 2 5 5 PHE HZ H 1 7.30 0.005 . 1 . . . . . . . . 5397 2 58 . 2 2 5 5 PHE HD1 H 1 7.24 0.005 . 1 . . . . . . . . 5397 2 59 . 2 2 5 5 PHE HD2 H 1 7.24 0.005 . 1 . . . . . . . . 5397 2 60 . 2 2 5 5 PHE HE1 H 1 7.35 0.005 . 1 . . . . . . . . 5397 2 61 . 2 2 5 5 PHE HE2 H 1 7.35 0.005 . 1 . . . . . . . . 5397 2 62 . 2 2 5 5 PHE C C 13 176.0 0.05 . 1 . . . . . . . . 5397 2 63 . 2 2 5 5 PHE CA C 13 58.5 0.05 . 1 . . . . . . . . 5397 2 64 . 2 2 5 5 PHE CB C 13 39.0 0.05 . 1 . . . . . . . . 5397 2 65 . 2 2 5 5 PHE CD1 C 13 131.6 0.05 . 1 . . . . . . . . 5397 2 66 . 2 2 5 5 PHE CD2 C 13 131.6 0.05 . 1 . . . . . . . . 5397 2 67 . 2 2 5 5 PHE CE1 C 13 128.1 0.05 . 1 . . . . . . . . 5397 2 68 . 2 2 5 5 PHE CE2 C 13 128.1 0.05 . 1 . . . . . . . . 5397 2 69 . 2 2 6 6 ASN N N 15 120.8 0.05 . 1 . . . . . . . . 5397 2 70 . 2 2 6 6 ASN ND2 N 15 111.7 0.05 . 1 . . . . . . . . 5397 2 71 . 2 2 6 6 ASN H H 1 7.94 0.005 . 1 . . . . . . . . 5397 2 72 . 2 2 6 6 ASN HA H 1 4.47 0.005 . 1 . . . . . . . . 5397 2 73 . 2 2 6 6 ASN HD21 H 1 6.96 0.005 . 2 . . . . . . . . 5397 2 74 . 2 2 6 6 ASN HD22 H 1 7.57 0.005 . 2 . . . . . . . . 5397 2 75 . 2 2 6 6 ASN HB2 H 1 2.81 0.005 . 1 . . . . . . . . 5397 2 76 . 2 2 6 6 ASN HB3 H 1 2.81 0.005 . 1 . . . . . . . . 5397 2 77 . 2 2 6 6 ASN C C 13 176.5 0.05 . 1 . . . . . . . . 5397 2 78 . 2 2 6 6 ASN CA C 13 55.0 0.05 . 1 . . . . . . . . 5397 2 79 . 2 2 6 6 ASN CB C 13 38.2 0.05 . 1 . . . . . . . . 5397 2 80 . 2 2 7 7 LYS N N 15 121.9 0.05 . 1 . . . . . . . . 5397 2 81 . 2 2 7 7 LYS H H 1 8.24 0.005 . 1 . . . . . . . . 5397 2 82 . 2 2 7 7 LYS HA H 1 4.19 0.005 . 1 . . . . . . . . 5397 2 83 . 2 2 7 7 LYS HB2 H 1 1.89 0.005 . 1 . . . . . . . . 5397 2 84 . 2 2 7 7 LYS HB3 H 1 1.89 0.005 . 1 . . . . . . . . 5397 2 85 . 2 2 7 7 LYS HG2 H 1 1.50 0.005 . 1 . . . . . . . . 5397 2 86 . 2 2 7 7 LYS HG3 H 1 1.50 0.005 . 1 . . . . . . . . 5397 2 87 . 2 2 7 7 LYS HE2 H 1 2.99 0.005 . 1 . . . . . . . . 5397 2 88 . 2 2 7 7 LYS HE3 H 1 2.99 0.005 . 1 . . . . . . . . 5397 2 89 . 2 2 7 7 LYS C C 13 177.6 0.05 . 1 . . . . . . . . 5397 2 90 . 2 2 7 7 LYS CA C 13 58.5 0.05 . 1 . . . . . . . . 5397 2 91 . 2 2 7 7 LYS CB C 13 32.1 0.05 . 1 . . . . . . . . 5397 2 92 . 2 2 7 7 LYS CG C 13 25.0 0.05 . 1 . . . . . . . . 5397 2 93 . 2 2 8 8 GLU N N 15 119.5 0.05 . 1 . . . . . . . . 5397 2 94 . 2 2 8 8 GLU H H 1 8.38 0.005 . 1 . . . . . . . . 5397 2 95 . 2 2 8 8 GLU HA H 1 4.18 0.005 . 1 . . . . . . . . 5397 2 96 . 2 2 8 8 GLU HB2 H 1 2.15 0.005 . 1 . . . . . . . . 5397 2 97 . 2 2 8 8 GLU HB3 H 1 2.15 0.005 . 1 . . . . . . . . 5397 2 98 . 2 2 8 8 GLU HG2 H 1 2.46 0.005 . 1 . . . . . . . . 5397 2 99 . 2 2 8 8 GLU HG3 H 1 2.46 0.005 . 1 . . . . . . . . 5397 2 100 . 2 2 8 8 GLU C C 13 178.3 0.05 . 1 . . . . . . . . 5397 2 101 . 2 2 8 8 GLU CA C 13 59.2 0.05 . 1 . . . . . . . . 5397 2 102 . 2 2 8 8 GLU CB C 13 29.3 0.05 . 1 . . . . . . . . 5397 2 103 . 2 2 8 8 GLU CG C 13 36.4 0.05 . 1 . . . . . . . . 5397 2 104 . 2 2 9 9 LEU N N 15 119.5 0.05 . 1 . . . . . . . . 5397 2 105 . 2 2 9 9 LEU H H 1 7.94 0.005 . 1 . . . . . . . . 5397 2 106 . 2 2 9 9 LEU HA H 1 4.23 0.005 . 1 . . . . . . . . 5397 2 107 . 2 2 9 9 LEU HB2 H 1 1.82 0.005 . 1 . . . . . . . . 5397 2 108 . 2 2 9 9 LEU HB3 H 1 2.03 0.005 . 1 . . . . . . . . 5397 2 109 . 2 2 9 9 LEU HG H 1 1.80 0.005 . 1 . . . . . . . . 5397 2 110 . 2 2 9 9 LEU HD11 H 1 0.76 0.005 . 1 . . . . . . . . 5397 2 111 . 2 2 9 9 LEU HD12 H 1 0.76 0.005 . 1 . . . . . . . . 5397 2 112 . 2 2 9 9 LEU HD13 H 1 0.76 0.005 . 1 . . . . . . . . 5397 2 113 . 2 2 9 9 LEU HD21 H 1 0.76 0.005 . 1 . . . . . . . . 5397 2 114 . 2 2 9 9 LEU HD22 H 1 0.76 0.005 . 1 . . . . . . . . 5397 2 115 . 2 2 9 9 LEU HD23 H 1 0.76 0.005 . 1 . . . . . . . . 5397 2 116 . 2 2 9 9 LEU C C 13 178.6 0.05 . 1 . . . . . . . . 5397 2 117 . 2 2 9 9 LEU CA C 13 58.6 0.05 . 1 . . . . . . . . 5397 2 118 . 2 2 9 9 LEU CB C 13 43.0 0.05 . 1 . . . . . . . . 5397 2 119 . 2 2 9 9 LEU CG C 13 27.4 0.05 . 1 . . . . . . . . 5397 2 120 . 2 2 9 9 LEU CD1 C 13 25.4 0.05 . 2 . . . . . . . . 5397 2 121 . 2 2 9 9 LEU CD2 C 13 24.8 0.05 . 2 . . . . . . . . 5397 2 122 . 2 2 10 10 SER N N 15 112.0 0.05 . 1 . . . . . . . . 5397 2 123 . 2 2 10 10 SER H H 1 7.94 0.005 . 1 . . . . . . . . 5397 2 124 . 2 2 10 10 SER HA H 1 4.17 0.005 . 1 . . . . . . . . 5397 2 125 . 2 2 10 10 SER HB3 H 1 4.13 0.005 . 1 . . . . . . . . 5397 2 126 . 2 2 10 10 SER HB2 H 1 3.99 0.005 . 1 . . . . . . . . 5397 2 127 . 2 2 10 10 SER C C 13 176.7 0.05 . 1 . . . . . . . . 5397 2 128 . 2 2 10 10 SER CA C 13 61.1 0.05 . 1 . . . . . . . . 5397 2 129 . 2 2 10 10 SER CB C 13 63.6 0.05 . 1 . . . . . . . . 5397 2 130 . 2 2 11 11 VAL N N 15 121.9 0.05 . 1 . . . . . . . . 5397 2 131 . 2 2 11 11 VAL H H 1 8.00 0.005 . 1 . . . . . . . . 5397 2 132 . 2 2 11 11 VAL HA H 1 3.76 0.005 . 1 . . . . . . . . 5397 2 133 . 2 2 11 11 VAL HB H 1 2.10 0.005 . 1 . . . . . . . . 5397 2 134 . 2 2 11 11 VAL HG11 H 1 1.00 0.005 . 2 . . . . . . . . 5397 2 135 . 2 2 11 11 VAL HG12 H 1 1.00 0.005 . 2 . . . . . . . . 5397 2 136 . 2 2 11 11 VAL HG13 H 1 1.00 0.005 . 2 . . . . . . . . 5397 2 137 . 2 2 11 11 VAL HG21 H 1 1.09 0.005 . 2 . . . . . . . . 5397 2 138 . 2 2 11 11 VAL HG22 H 1 1.09 0.005 . 2 . . . . . . . . 5397 2 139 . 2 2 11 11 VAL HG23 H 1 1.09 0.005 . 2 . . . . . . . . 5397 2 140 . 2 2 11 11 VAL C C 13 178.9 0.05 . 1 . . . . . . . . 5397 2 141 . 2 2 11 11 VAL CA C 13 66.4 0.05 . 1 . . . . . . . . 5397 2 142 . 2 2 11 11 VAL CB C 13 32.3 0.05 . 1 . . . . . . . . 5397 2 143 . 2 2 11 11 VAL CG1 C 13 21.1 0.05 . 2 . . . . . . . . 5397 2 144 . 2 2 11 11 VAL CG2 C 13 22.5 0.05 . 2 . . . . . . . . 5397 2 145 . 2 2 12 12 ALA N N 15 122.6 0.05 . 1 . . . . . . . . 5397 2 146 . 2 2 12 12 ALA H H 1 8.54 0.005 . 1 . . . . . . . . 5397 2 147 . 2 2 12 12 ALA HA H 1 4.19 0.005 . 1 . . . . . . . . 5397 2 148 . 2 2 12 12 ALA HB1 H 1 1.54 0.005 . 1 . . . . . . . . 5397 2 149 . 2 2 12 12 ALA HB2 H 1 1.54 0.005 . 1 . . . . . . . . 5397 2 150 . 2 2 12 12 ALA HB3 H 1 1.54 0.005 . 1 . . . . . . . . 5397 2 151 . 2 2 12 12 ALA C C 13 179.8 0.05 . 1 . . . . . . . . 5397 2 152 . 2 2 12 12 ALA CA C 13 54.9 0.05 . 1 . . . . . . . . 5397 2 153 . 2 2 12 12 ALA CB C 13 18.0 0.05 . 1 . . . . . . . . 5397 2 154 . 2 2 13 13 GLY N N 15 103.9 0.05 . 1 . . . . . . . . 5397 2 155 . 2 2 13 13 GLY H H 1 7.98 0.005 . 1 . . . . . . . . 5397 2 156 . 2 2 13 13 GLY HA2 H 1 3.50 0.005 . 2 . . . . . . . . 5397 2 157 . 2 2 13 13 GLY HA3 H 1 3.74 0.005 . 2 . . . . . . . . 5397 2 158 . 2 2 13 13 GLY C C 13 175.1 0.05 . 1 . . . . . . . . 5397 2 159 . 2 2 13 13 GLY CA C 13 47.9 0.05 . 1 . . . . . . . . 5397 2 160 . 2 2 14 14 ARG N N 15 121.9 0.05 . 1 . . . . . . . . 5397 2 161 . 2 2 14 14 ARG NE N 15 85.5 0.05 . 1 . . . . . . . . 5397 2 162 . 2 2 14 14 ARG H H 1 8.06 0.005 . 1 . . . . . . . . 5397 2 163 . 2 2 14 14 ARG HA H 1 3.95 0.005 . 1 . . . . . . . . 5397 2 164 . 2 2 14 14 ARG HB2 H 1 1.86 0.005 . 2 . . . . . . . . 5397 2 165 . 2 2 14 14 ARG HB3 H 1 2.10 0.005 . 2 . . . . . . . . 5397 2 166 . 2 2 14 14 ARG HG2 H 1 1.69 0.005 . 2 . . . . . . . . 5397 2 167 . 2 2 14 14 ARG HG3 H 1 1.78 0.005 . 2 . . . . . . . . 5397 2 168 . 2 2 14 14 ARG HD2 H 1 2.93 0.005 . 2 . . . . . . . . 5397 2 169 . 2 2 14 14 ARG HD3 H 1 3.22 0.005 . 2 . . . . . . . . 5397 2 170 . 2 2 14 14 ARG HE H 1 7.29 0.005 . 1 . . . . . . . . 5397 2 171 . 2 2 14 14 ARG C C 13 178.0 0.05 . 1 . . . . . . . . 5397 2 172 . 2 2 14 14 ARG CA C 13 57.4 0.05 . 1 . . . . . . . . 5397 2 173 . 2 2 14 14 ARG CB C 13 29.3 0.05 . 1 . . . . . . . . 5397 2 174 . 2 2 14 14 ARG CG C 13 26.2 0.05 . 1 . . . . . . . . 5397 2 175 . 2 2 14 14 ARG CD C 13 43.0 0.05 . 1 . . . . . . . . 5397 2 176 . 2 2 15 15 GLU N N 15 120.2 0.05 . 1 . . . . . . . . 5397 2 177 . 2 2 15 15 GLU H H 1 7.82 0.005 . 1 . . . . . . . . 5397 2 178 . 2 2 15 15 GLU HA H 1 3.86 0.005 . 1 . . . . . . . . 5397 2 179 . 2 2 15 15 GLU HB2 H 1 2.16 0.005 . 2 . . . . . . . . 5397 2 180 . 2 2 15 15 GLU HB3 H 1 2.00 0.005 . 2 . . . . . . . . 5397 2 181 . 2 2 15 15 GLU HG2 H 1 2.16 0.005 . 2 . . . . . . . . 5397 2 182 . 2 2 15 15 GLU HG3 H 1 2.39 0.005 . 2 . . . . . . . . 5397 2 183 . 2 2 15 15 GLU C C 13 178.6 0.05 . 1 . . . . . . . . 5397 2 184 . 2 2 15 15 GLU CA C 13 59.8 0.05 . 1 . . . . . . . . 5397 2 185 . 2 2 15 15 GLU CB C 13 29.2 0.05 . 1 . . . . . . . . 5397 2 186 . 2 2 15 15 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 5397 2 187 . 2 2 16 16 ILE N N 15 117.3 0.05 . 1 . . . . . . . . 5397 2 188 . 2 2 16 16 ILE H H 1 7.86 0.005 . 1 . . . . . . . . 5397 2 189 . 2 2 16 16 ILE HA H 1 3.52 0.005 . 1 . . . . . . . . 5397 2 190 . 2 2 16 16 ILE HB H 1 1.87 0.005 . 1 . . . . . . . . 5397 2 191 . 2 2 16 16 ILE HG12 H 1 0.55 0.005 . 2 . . . . . . . . 5397 2 192 . 2 2 16 16 ILE HG13 H 1 2.03 0.005 . 2 . . . . . . . . 5397 2 193 . 2 2 16 16 ILE HG21 H 1 0.85 0.005 . 1 . . . . . . . . 5397 2 194 . 2 2 16 16 ILE HG22 H 1 0.85 0.005 . 1 . . . . . . . . 5397 2 195 . 2 2 16 16 ILE HG23 H 1 0.85 0.005 . 1 . . . . . . . . 5397 2 196 . 2 2 16 16 ILE HD11 H 1 0.62 0.005 . 1 . . . . . . . . 5397 2 197 . 2 2 16 16 ILE HD12 H 1 0.62 0.005 . 1 . . . . . . . . 5397 2 198 . 2 2 16 16 ILE HD13 H 1 0.62 0.005 . 1 . . . . . . . . 5397 2 199 . 2 2 16 16 ILE C C 13 178.0 0.05 . 1 . . . . . . . . 5397 2 200 . 2 2 16 16 ILE CA C 13 65.5 0.05 . 1 . . . . . . . . 5397 2 201 . 2 2 16 16 ILE CB C 13 38.0 0.05 . 1 . . . . . . . . 5397 2 202 . 2 2 16 16 ILE CG1 C 13 30.2 0.05 . 1 . . . . . . . . 5397 2 203 . 2 2 16 16 ILE CG2 C 13 17.3 0.05 . 1 . . . . . . . . 5397 2 204 . 2 2 16 16 ILE CD1 C 13 13.1 0.05 . 1 . . . . . . . . 5397 2 205 . 2 2 17 17 VAL N N 15 112.9 0.05 . 1 . . . . . . . . 5397 2 206 . 2 2 17 17 VAL H H 1 7.85 0.005 . 1 . . . . . . . . 5397 2 207 . 2 2 17 17 VAL HA H 1 3.81 0.005 . 1 . . . . . . . . 5397 2 208 . 2 2 17 17 VAL HB H 1 2.05 0.005 . 1 . . . . . . . . 5397 2 209 . 2 2 17 17 VAL HG11 H 1 0.70 0.005 . 2 . . . . . . . . 5397 2 210 . 2 2 17 17 VAL HG12 H 1 0.70 0.005 . 2 . . . . . . . . 5397 2 211 . 2 2 17 17 VAL HG13 H 1 0.70 0.005 . 2 . . . . . . . . 5397 2 212 . 2 2 17 17 VAL HG21 H 1 0.77 0.005 . 2 . . . . . . . . 5397 2 213 . 2 2 17 17 VAL HG22 H 1 0.77 0.005 . 2 . . . . . . . . 5397 2 214 . 2 2 17 17 VAL HG23 H 1 0.77 0.005 . 2 . . . . . . . . 5397 2 215 . 2 2 17 17 VAL C C 13 176.7 0.05 . 1 . . . . . . . . 5397 2 216 . 2 2 17 17 VAL CA C 13 65.0 0.05 . 1 . . . . . . . . 5397 2 217 . 2 2 17 17 VAL CB C 13 31.1 0.05 . 1 . . . . . . . . 5397 2 218 . 2 2 17 17 VAL CG1 C 13 22.3 0.05 . 2 . . . . . . . . 5397 2 219 . 2 2 17 17 VAL CG2 C 13 21.7 0.05 . 2 . . . . . . . . 5397 2 220 . 2 2 18 18 THR N N 15 109.5 0.05 . 1 . . . . . . . . 5397 2 221 . 2 2 18 18 THR H H 1 7.39 0.005 . 1 . . . . . . . . 5397 2 222 . 2 2 18 18 THR HA H 1 4.39 0.005 . 1 . . . . . . . . 5397 2 223 . 2 2 18 18 THR HB H 1 4.48 0.005 . 1 . . . . . . . . 5397 2 224 . 2 2 18 18 THR HG21 H 1 1.18 0.005 . 1 . . . . . . . . 5397 2 225 . 2 2 18 18 THR HG22 H 1 1.18 0.005 . 1 . . . . . . . . 5397 2 226 . 2 2 18 18 THR HG23 H 1 1.18 0.005 . 1 . . . . . . . . 5397 2 227 . 2 2 18 18 THR C C 13 175.2 0.05 . 1 . . . . . . . . 5397 2 228 . 2 2 18 18 THR CA C 13 61.3 0.05 . 1 . . . . . . . . 5397 2 229 . 2 2 18 18 THR CB C 13 69.6 0.05 . 1 . . . . . . . . 5397 2 230 . 2 2 18 18 THR CG2 C 13 21.3 0.05 . 1 . . . . . . . . 5397 2 231 . 2 2 19 19 LEU N N 15 128.3 0.05 . 1 . . . . . . . . 5397 2 232 . 2 2 19 19 LEU H H 1 7.33 0.005 . 1 . . . . . . . . 5397 2 233 . 2 2 19 19 LEU HA H 1 4.44 0.005 . 1 . . . . . . . . 5397 2 234 . 2 2 19 19 LEU HB3 H 1 1.84 0.005 . 1 . . . . . . . . 5397 2 235 . 2 2 19 19 LEU HB2 H 1 1.37 0.005 . 1 . . . . . . . . 5397 2 236 . 2 2 19 19 LEU HG H 1 2.35 0.005 . 1 . . . . . . . . 5397 2 237 . 2 2 19 19 LEU HD11 H 1 0.76 0.005 . 2 . . . . . . . . 5397 2 238 . 2 2 19 19 LEU HD12 H 1 0.76 0.005 . 2 . . . . . . . . 5397 2 239 . 2 2 19 19 LEU HD13 H 1 0.76 0.005 . 2 . . . . . . . . 5397 2 240 . 2 2 19 19 LEU HD21 H 1 0.84 0.005 . 2 . . . . . . . . 5397 2 241 . 2 2 19 19 LEU HD22 H 1 0.84 0.005 . 2 . . . . . . . . 5397 2 242 . 2 2 19 19 LEU HD23 H 1 0.84 0.005 . 2 . . . . . . . . 5397 2 243 . 2 2 19 19 LEU C C 13 177.6 0.05 . 1 . . . . . . . . 5397 2 244 . 2 2 19 19 LEU CA C 13 53.9 0.05 . 1 . . . . . . . . 5397 2 245 . 2 2 19 19 LEU CB C 13 40.0 0.05 . 1 . . . . . . . . 5397 2 246 . 2 2 19 19 LEU CG C 13 25.5 0.05 . 1 . . . . . . . . 5397 2 247 . 2 2 19 19 LEU CD1 C 13 27.5 0.05 . 2 . . . . . . . . 5397 2 248 . 2 2 19 19 LEU CD2 C 13 23.5 0.05 . 2 . . . . . . . . 5397 2 249 . 2 2 20 20 PRO HA H 1 4.45 0.005 . 1 . . . . . . . . 5397 2 250 . 2 2 20 20 PRO HB2 H 1 1.98 0.005 . 2 . . . . . . . . 5397 2 251 . 2 2 20 20 PRO HB3 H 1 2.32 0.005 . 2 . . . . . . . . 5397 2 252 . 2 2 20 20 PRO HG2 H 1 2.04 0.005 . 2 . . . . . . . . 5397 2 253 . 2 2 20 20 PRO HG3 H 1 2.20 0.005 . 2 . . . . . . . . 5397 2 254 . 2 2 20 20 PRO HD2 H 1 3.79 0.005 . 2 . . . . . . . . 5397 2 255 . 2 2 20 20 PRO HD3 H 1 3.97 0.005 . 2 . . . . . . . . 5397 2 256 . 2 2 20 20 PRO C C 13 178.6 0.05 . 1 . . . . . . . . 5397 2 257 . 2 2 20 20 PRO CA C 13 64.7 0.05 . 1 . . . . . . . . 5397 2 258 . 2 2 20 20 PRO CB C 13 32.5 0.05 . 1 . . . . . . . . 5397 2 259 . 2 2 20 20 PRO CG C 13 27.3 0.05 . 1 . . . . . . . . 5397 2 260 . 2 2 20 20 PRO CD C 13 51.1 0.05 . 1 . . . . . . . . 5397 2 261 . 2 2 21 21 ASN N N 15 114.0 0.05 . 1 . . . . . . . . 5397 2 262 . 2 2 21 21 ASN ND2 N 15 115.2 0.05 . 1 . . . . . . . . 5397 2 263 . 2 2 21 21 ASN H H 1 8.82 0.005 . 1 . . . . . . . . 5397 2 264 . 2 2 21 21 ASN HA H 1 5.02 0.005 . 1 . . . . . . . . 5397 2 265 . 2 2 21 21 ASN HD21 H 1 6.99 0.005 . 2 . . . . . . . . 5397 2 266 . 2 2 21 21 ASN HD22 H 1 7.38 0.005 . 2 . . . . . . . . 5397 2 267 . 2 2 21 21 ASN HB2 H 1 2.92 0.005 . 1 . . . . . . . . 5397 2 268 . 2 2 21 21 ASN HB3 H 1 2.92 0.005 . 1 . . . . . . . . 5397 2 269 . 2 2 21 21 ASN C C 13 175.9 0.05 . 1 . . . . . . . . 5397 2 270 . 2 2 21 21 ASN CA C 13 52.7 0.05 . 1 . . . . . . . . 5397 2 271 . 2 2 21 21 ASN CB C 13 38.9 0.05 . 1 . . . . . . . . 5397 2 272 . 2 2 22 22 LEU N N 15 118.4 0.05 . 1 . . . . . . . . 5397 2 273 . 2 2 22 22 LEU H H 1 6.57 0.005 . 1 . . . . . . . . 5397 2 274 . 2 2 22 22 LEU HA H 1 4.55 0.005 . 1 . . . . . . . . 5397 2 275 . 2 2 22 22 LEU HB2 H 1 1.60 0.005 . 2 . . . . . . . . 5397 2 276 . 2 2 22 22 LEU HB3 H 1 1.67 0.005 . 2 . . . . . . . . 5397 2 277 . 2 2 22 22 LEU HG H 1 1.78 0.005 . 1 . . . . . . . . 5397 2 278 . 2 2 22 22 LEU HD11 H 1 0.91 0.005 . 2 . . . . . . . . 5397 2 279 . 2 2 22 22 LEU HD12 H 1 0.91 0.005 . 2 . . . . . . . . 5397 2 280 . 2 2 22 22 LEU HD13 H 1 0.91 0.005 . 2 . . . . . . . . 5397 2 281 . 2 2 22 22 LEU HD21 H 1 1.00 0.005 . 2 . . . . . . . . 5397 2 282 . 2 2 22 22 LEU HD22 H 1 1.00 0.005 . 2 . . . . . . . . 5397 2 283 . 2 2 22 22 LEU HD23 H 1 1.00 0.005 . 2 . . . . . . . . 5397 2 284 . 2 2 22 22 LEU C C 13 176.4 0.05 . 1 . . . . . . . . 5397 2 285 . 2 2 22 22 LEU CA C 13 53.8 0.05 . 1 . . . . . . . . 5397 2 286 . 2 2 22 22 LEU CB C 13 44.6 0.05 . 1 . . . . . . . . 5397 2 287 . 2 2 22 22 LEU CG C 13 28.0 0.05 . 1 . . . . . . . . 5397 2 288 . 2 2 22 22 LEU CD1 C 13 23.1 0.05 . 2 . . . . . . . . 5397 2 289 . 2 2 22 22 LEU CD2 C 13 26.5 0.05 . 2 . . . . . . . . 5397 2 290 . 2 2 23 23 ASN N N 15 120.6 0.05 . 1 . . . . . . . . 5397 2 291 . 2 2 23 23 ASN ND2 N 15 111.7 0.05 . 1 . . . . . . . . 5397 2 292 . 2 2 23 23 ASN H H 1 8.55 0.005 . 1 . . . . . . . . 5397 2 293 . 2 2 23 23 ASN HA H 1 4.91 0.005 . 1 . . . . . . . . 5397 2 294 . 2 2 23 23 ASN HB3 H 1 2.90 0.005 . 1 . . . . . . . . 5397 2 295 . 2 2 23 23 ASN HB2 H 1 3.20 0.005 . 1 . . . . . . . . 5397 2 296 . 2 2 23 23 ASN HD21 H 1 6.84 0.005 . 2 . . . . . . . . 5397 2 297 . 2 2 23 23 ASN HD22 H 1 7.47 0.005 . 2 . . . . . . . . 5397 2 298 . 2 2 23 23 ASN C C 13 175.6 0.05 . 1 . . . . . . . . 5397 2 299 . 2 2 23 23 ASN CA C 13 51.2 0.05 . 1 . . . . . . . . 5397 2 300 . 2 2 23 23 ASN CB C 13 39.2 0.05 . 1 . . . . . . . . 5397 2 301 . 2 2 24 24 ASP N N 15 119.8 0.05 . 1 . . . . . . . . 5397 2 302 . 2 2 24 24 ASP H H 1 8.87 0.005 . 1 . . . . . . . . 5397 2 303 . 2 2 24 24 ASP HA H 1 4.69 0.005 . 1 . . . . . . . . 5397 2 304 . 2 2 24 24 ASP HB3 H 1 2.86 0.005 . 1 . . . . . . . . 5397 2 305 . 2 2 24 24 ASP HB2 H 1 2.60 0.005 . 1 . . . . . . . . 5397 2 306 . 2 2 24 24 ASP C C 13 175.4 0.05 . 1 . . . . . . . . 5397 2 307 . 2 2 24 24 ASP CA C 13 59.6 0.05 . 1 . . . . . . . . 5397 2 308 . 2 2 24 24 ASP CB C 13 38.2 0.05 . 1 . . . . . . . . 5397 2 309 . 2 2 25 25 PRO HA H 1 4.03 0.005 . 1 . . . . . . . . 5397 2 310 . 2 2 25 25 PRO HB2 H 1 1.79 0.005 . 2 . . . . . . . . 5397 2 311 . 2 2 25 25 PRO HB3 H 1 2.23 0.005 . 2 . . . . . . . . 5397 2 312 . 2 2 25 25 PRO HG2 H 1 1.89 0.005 . 2 . . . . . . . . 5397 2 313 . 2 2 25 25 PRO HG3 H 1 2.09 0.005 . 2 . . . . . . . . 5397 2 314 . 2 2 25 25 PRO HD2 H 1 3.64 0.005 . 2 . . . . . . . . 5397 2 315 . 2 2 25 25 PRO HD3 H 1 3.77 0.005 . 2 . . . . . . . . 5397 2 316 . 2 2 25 25 PRO C C 13 180.2 0.05 . 1 . . . . . . . . 5397 2 317 . 2 2 25 25 PRO CA C 13 66.5 0.05 . 1 . . . . . . . . 5397 2 318 . 2 2 25 25 PRO CB C 13 30.9 0.05 . 1 . . . . . . . . 5397 2 319 . 2 2 25 25 PRO CG C 13 28.1 0.05 . 1 . . . . . . . . 5397 2 320 . 2 2 25 25 PRO CD C 13 49.8 0.05 . 1 . . . . . . . . 5397 2 321 . 2 2 26 26 GLN N N 15 117.2 0.05 . 1 . . . . . . . . 5397 2 322 . 2 2 26 26 GLN NE2 N 15 113.3 0.05 . 1 . . . . . . . . 5397 2 323 . 2 2 26 26 GLN H H 1 8.02 0.005 . 1 . . . . . . . . 5397 2 324 . 2 2 26 26 GLN HA H 1 3.97 0.005 . 1 . . . . . . . . 5397 2 325 . 2 2 26 26 GLN HB2 H 1 1.68 0.005 . 2 . . . . . . . . 5397 2 326 . 2 2 26 26 GLN HB3 H 1 2.52 0.005 . 2 . . . . . . . . 5397 2 327 . 2 2 26 26 GLN HG2 H 1 2.29 0.005 . 2 . . . . . . . . 5397 2 328 . 2 2 26 26 GLN HG3 H 1 2.84 0.005 . 2 . . . . . . . . 5397 2 329 . 2 2 26 26 GLN HE21 H 1 7.57 0.005 . 2 . . . . . . . . 5397 2 330 . 2 2 26 26 GLN HE22 H 1 8.12 0.005 . 2 . . . . . . . . 5397 2 331 . 2 2 26 26 GLN C C 13 178.6 0.05 . 1 . . . . . . . . 5397 2 332 . 2 2 26 26 GLN CA C 13 58.7 0.05 . 1 . . . . . . . . 5397 2 333 . 2 2 26 26 GLN CB C 13 29.3 0.05 . 1 . . . . . . . . 5397 2 334 . 2 2 26 26 GLN CG C 13 34.6 0.05 . 1 . . . . . . . . 5397 2 335 . 2 2 27 27 LYS N N 15 119.2 0.05 . 1 . . . . . . . . 5397 2 336 . 2 2 27 27 LYS H H 1 8.31 0.005 . 1 . . . . . . . . 5397 2 337 . 2 2 27 27 LYS HA H 1 3.87 0.005 . 1 . . . . . . . . 5397 2 338 . 2 2 27 27 LYS HB3 H 1 1.81 0.005 . 1 . . . . . . . . 5397 2 339 . 2 2 27 27 LYS HB2 H 1 2.40 0.005 . 1 . . . . . . . . 5397 2 340 . 2 2 27 27 LYS HG2 H 1 1.38 0.005 . 2 . . . . . . . . 5397 2 341 . 2 2 27 27 LYS HG3 H 1 1.79 0.005 . 2 . . . . . . . . 5397 2 342 . 2 2 27 27 LYS HD2 H 1 1.86 0.005 . 1 . . . . . . . . 5397 2 343 . 2 2 27 27 LYS HD3 H 1 1.86 0.005 . 1 . . . . . . . . 5397 2 344 . 2 2 27 27 LYS HE2 H 1 3.13 0.005 . 1 . . . . . . . . 5397 2 345 . 2 2 27 27 LYS HE3 H 1 3.13 0.005 . 1 . . . . . . . . 5397 2 346 . 2 2 27 27 LYS C C 13 178.4 0.05 . 1 . . . . . . . . 5397 2 347 . 2 2 27 27 LYS CA C 13 61.4 0.05 . 1 . . . . . . . . 5397 2 348 . 2 2 27 27 LYS CB C 13 34.0 0.05 . 1 . . . . . . . . 5397 2 349 . 2 2 27 27 LYS CG C 13 27.7 0.05 . 1 . . . . . . . . 5397 2 350 . 2 2 27 27 LYS CD C 13 30.6 0.05 . 1 . . . . . . . . 5397 2 351 . 2 2 27 27 LYS CE C 13 43.3 0.05 . 1 . . . . . . . . 5397 2 352 . 2 2 28 28 LYS N N 15 118.4 0.05 . 1 . . . . . . . . 5397 2 353 . 2 2 28 28 LYS H H 1 8.65 0.005 . 1 . . . . . . . . 5397 2 354 . 2 2 28 28 LYS HA H 1 3.22 0.005 . 1 . . . . . . . . 5397 2 355 . 2 2 28 28 LYS HB2 H 1 1.25 0.005 . 2 . . . . . . . . 5397 2 356 . 2 2 28 28 LYS HB3 H 1 0.98 0.005 . 2 . . . . . . . . 5397 2 357 . 2 2 28 28 LYS HG2 H 1 -0.06 0.005 . 2 . . . . . . . . 5397 2 358 . 2 2 28 28 LYS HG3 H 1 0.42 0.005 . 2 . . . . . . . . 5397 2 359 . 2 2 28 28 LYS HD2 H 1 1.09 0.005 . 1 . . . . . . . . 5397 2 360 . 2 2 28 28 LYS HD3 H 1 1.09 0.005 . 1 . . . . . . . . 5397 2 361 . 2 2 28 28 LYS HE2 H 1 2.27 0.005 . 1 . . . . . . . . 5397 2 362 . 2 2 28 28 LYS HE3 H 1 2.27 0.005 . 1 . . . . . . . . 5397 2 363 . 2 2 28 28 LYS C C 13 176.8 0.05 . 1 . . . . . . . . 5397 2 364 . 2 2 28 28 LYS CA C 13 60.5 0.05 . 1 . . . . . . . . 5397 2 365 . 2 2 28 28 LYS CB C 13 32.1 0.05 . 1 . . . . . . . . 5397 2 366 . 2 2 28 28 LYS CG C 13 25.4 0.05 . 1 . . . . . . . . 5397 2 367 . 2 2 28 28 LYS CD C 13 29.2 0.05 . 1 . . . . . . . . 5397 2 368 . 2 2 28 28 LYS CE C 13 41.9 0.05 . 1 . . . . . . . . 5397 2 369 . 2 2 29 29 ALA N N 15 120.0 0.05 . 1 . . . . . . . . 5397 2 370 . 2 2 29 29 ALA H H 1 7.48 0.005 . 1 . . . . . . . . 5397 2 371 . 2 2 29 29 ALA HA H 1 3.89 0.005 . 1 . . . . . . . . 5397 2 372 . 2 2 29 29 ALA HB1 H 1 1.26 0.005 . 1 . . . . . . . . 5397 2 373 . 2 2 29 29 ALA HB2 H 1 1.26 0.005 . 1 . . . . . . . . 5397 2 374 . 2 2 29 29 ALA HB3 H 1 1.26 0.005 . 1 . . . . . . . . 5397 2 375 . 2 2 29 29 ALA C C 13 181.6 0.05 . 1 . . . . . . . . 5397 2 376 . 2 2 29 29 ALA CA C 13 55.4 0.05 . 1 . . . . . . . . 5397 2 377 . 2 2 29 29 ALA CB C 13 17.6 0.05 . 1 . . . . . . . . 5397 2 378 . 2 2 30 30 PHE N N 15 116.0 0.05 . 1 . . . . . . . . 5397 2 379 . 2 2 30 30 PHE H H 1 7.69 0.005 . 1 . . . . . . . . 5397 2 380 . 2 2 30 30 PHE HA H 1 4.44 0.005 . 1 . . . . . . . . 5397 2 381 . 2 2 30 30 PHE HB2 H 1 3.08 0.005 . 2 . . . . . . . . 5397 2 382 . 2 2 30 30 PHE HB3 H 1 3.18 0.005 . 2 . . . . . . . . 5397 2 383 . 2 2 30 30 PHE HZ H 1 7.67 0.005 . 1 . . . . . . . . 5397 2 384 . 2 2 30 30 PHE HD1 H 1 7.36 0.005 . 1 . . . . . . . . 5397 2 385 . 2 2 30 30 PHE HD2 H 1 7.36 0.005 . 1 . . . . . . . . 5397 2 386 . 2 2 30 30 PHE HE1 H 1 7.17 0.005 . 1 . . . . . . . . 5397 2 387 . 2 2 30 30 PHE HE2 H 1 7.17 0.005 . 1 . . . . . . . . 5397 2 388 . 2 2 30 30 PHE C C 13 178.1 0.05 . 1 . . . . . . . . 5397 2 389 . 2 2 30 30 PHE CA C 13 62.2 0.05 . 1 . . . . . . . . 5397 2 390 . 2 2 30 30 PHE CB C 13 40.2 0.05 . 1 . . . . . . . . 5397 2 391 . 2 2 30 30 PHE CE1 C 13 129.7 0.05 . 1 . . . . . . . . 5397 2 392 . 2 2 30 30 PHE CE2 C 13 129.7 0.05 . 1 . . . . . . . . 5397 2 393 . 2 2 31 31 ILE N N 15 120.0 0.05 . 1 . . . . . . . . 5397 2 394 . 2 2 31 31 ILE H H 1 8.59 0.005 . 1 . . . . . . . . 5397 2 395 . 2 2 31 31 ILE HA H 1 4.03 0.005 . 1 . . . . . . . . 5397 2 396 . 2 2 31 31 ILE HB H 1 2.36 0.005 . 1 . . . . . . . . 5397 2 397 . 2 2 31 31 ILE HG12 H 1 1.46 0.005 . 2 . . . . . . . . 5397 2 398 . 2 2 31 31 ILE HG13 H 1 1.75 0.005 . 2 . . . . . . . . 5397 2 399 . 2 2 31 31 ILE HG21 H 1 1.17 0.005 . 1 . . . . . . . . 5397 2 400 . 2 2 31 31 ILE HG22 H 1 1.17 0.005 . 1 . . . . . . . . 5397 2 401 . 2 2 31 31 ILE HG23 H 1 1.17 0.005 . 1 . . . . . . . . 5397 2 402 . 2 2 31 31 ILE HD11 H 1 0.87 0.005 . 1 . . . . . . . . 5397 2 403 . 2 2 31 31 ILE HD12 H 1 0.87 0.005 . 1 . . . . . . . . 5397 2 404 . 2 2 31 31 ILE HD13 H 1 0.87 0.005 . 1 . . . . . . . . 5397 2 405 . 2 2 31 31 ILE C C 13 178.0 0.05 . 1 . . . . . . . . 5397 2 406 . 2 2 31 31 ILE CA C 13 63.2 0.05 . 1 . . . . . . . . 5397 2 407 . 2 2 31 31 ILE CB C 13 36.0 0.05 . 1 . . . . . . . . 5397 2 408 . 2 2 31 31 ILE CG1 C 13 29.0 0.05 . 1 . . . . . . . . 5397 2 409 . 2 2 31 31 ILE CG2 C 13 20.3 0.05 . 1 . . . . . . . . 5397 2 410 . 2 2 31 31 ILE CD1 C 13 12.5 0.05 . 1 . . . . . . . . 5397 2 411 . 2 2 32 32 PHE N N 15 123.5 0.05 . 1 . . . . . . . . 5397 2 412 . 2 2 32 32 PHE H H 1 9.45 0.005 . 1 . . . . . . . . 5397 2 413 . 2 2 32 32 PHE HA H 1 4.55 0.005 . 1 . . . . . . . . 5397 2 414 . 2 2 32 32 PHE HB2 H 1 3.34 0.005 . 2 . . . . . . . . 5397 2 415 . 2 2 32 32 PHE HB3 H 1 3.41 0.005 . 2 . . . . . . . . 5397 2 416 . 2 2 32 32 PHE HD1 H 1 7.11 0.005 . 1 . . . . . . . . 5397 2 417 . 2 2 32 32 PHE HD2 H 1 7.11 0.005 . 1 . . . . . . . . 5397 2 418 . 2 2 32 32 PHE HE1 H 1 7.07 0.005 . 1 . . . . . . . . 5397 2 419 . 2 2 32 32 PHE HE2 H 1 7.07 0.005 . 1 . . . . . . . . 5397 2 420 . 2 2 32 32 PHE C C 13 178.6 0.05 . 1 . . . . . . . . 5397 2 421 . 2 2 32 32 PHE CA C 13 59.7 0.05 . 1 . . . . . . . . 5397 2 422 . 2 2 32 32 PHE CB C 13 36.2 0.05 . 1 . . . . . . . . 5397 2 423 . 2 2 32 32 PHE CD1 C 13 130.4 0.05 . 1 . . . . . . . . 5397 2 424 . 2 2 32 32 PHE CD2 C 13 130.4 0.05 . 1 . . . . . . . . 5397 2 425 . 2 2 32 32 PHE CE1 C 13 128.9 0.05 . 1 . . . . . . . . 5397 2 426 . 2 2 32 32 PHE CE2 C 13 128.9 0.05 . 1 . . . . . . . . 5397 2 427 . 2 2 33 33 SER N N 15 116.2 0.05 . 1 . . . . . . . . 5397 2 428 . 2 2 33 33 SER H H 1 7.79 0.005 . 1 . . . . . . . . 5397 2 429 . 2 2 33 33 SER HA H 1 4.36 0.005 . 1 . . . . . . . . 5397 2 430 . 2 2 33 33 SER HB3 H 1 4.20 0.005 . 1 . . . . . . . . 5397 2 431 . 2 2 33 33 SER HB2 H 1 4.02 0.005 . 1 . . . . . . . . 5397 2 432 . 2 2 33 33 SER C C 13 176.2 0.05 . 1 . . . . . . . . 5397 2 433 . 2 2 33 33 SER CA C 13 63.2 0.05 . 1 . . . . . . . . 5397 2 434 . 2 2 33 33 SER CB C 13 63.4 0.05 . 1 . . . . . . . . 5397 2 435 . 2 2 34 34 LEU N N 15 125.7 0.05 . 1 . . . . . . . . 5397 2 436 . 2 2 34 34 LEU H H 1 8.39 0.005 . 1 . . . . . . . . 5397 2 437 . 2 2 34 34 LEU HA H 1 3.79 0.005 . 1 . . . . . . . . 5397 2 438 . 2 2 34 34 LEU HB2 H 1 1.74 0.005 . 2 . . . . . . . . 5397 2 439 . 2 2 34 34 LEU HB3 H 1 2.49 0.005 . 2 . . . . . . . . 5397 2 440 . 2 2 34 34 LEU HG H 1 1.87 0.005 . 1 . . . . . . . . 5397 2 441 . 2 2 34 34 LEU HD11 H 1 0.96 0.005 . 2 . . . . . . . . 5397 2 442 . 2 2 34 34 LEU HD12 H 1 0.96 0.005 . 2 . . . . . . . . 5397 2 443 . 2 2 34 34 LEU HD13 H 1 0.96 0.005 . 2 . . . . . . . . 5397 2 444 . 2 2 34 34 LEU HD21 H 1 1.17 0.005 . 2 . . . . . . . . 5397 2 445 . 2 2 34 34 LEU HD22 H 1 1.17 0.005 . 2 . . . . . . . . 5397 2 446 . 2 2 34 34 LEU HD23 H 1 1.17 0.005 . 2 . . . . . . . . 5397 2 447 . 2 2 34 34 LEU C C 13 176.0 0.05 . 1 . . . . . . . . 5397 2 448 . 2 2 34 34 LEU CA C 13 57.7 0.05 . 1 . . . . . . . . 5397 2 449 . 2 2 34 34 LEU CB C 13 42.4 0.05 . 1 . . . . . . . . 5397 2 450 . 2 2 34 34 LEU CG C 13 27.0 0.05 . 1 . . . . . . . . 5397 2 451 . 2 2 34 34 LEU CD1 C 13 24.2 0.05 . 2 . . . . . . . . 5397 2 452 . 2 2 34 34 LEU CD2 C 13 26.8 0.05 . 2 . . . . . . . . 5397 2 453 . 2 2 35 35 TRP N N 15 115.6 0.05 . 1 . . . . . . . . 5397 2 454 . 2 2 35 35 TRP NE1 N 15 129.7 0.05 . 1 . . . . . . . . 5397 2 455 . 2 2 35 35 TRP H H 1 8.18 0.005 . 1 . . . . . . . . 5397 2 456 . 2 2 35 35 TRP HA H 1 3.72 0.005 . 1 . . . . . . . . 5397 2 457 . 2 2 35 35 TRP HB2 H 1 3.41 0.005 . 2 . . . . . . . . 5397 2 458 . 2 2 35 35 TRP HB3 H 1 3.47 0.005 . 2 . . . . . . . . 5397 2 459 . 2 2 35 35 TRP HD1 H 1 7.31 0.005 . 1 . . . . . . . . 5397 2 460 . 2 2 35 35 TRP HE1 H 1 9.80 0.005 . 1 . . . . . . . . 5397 2 461 . 2 2 35 35 TRP HE3 H 1 5.74 0.005 . 1 . . . . . . . . 5397 2 462 . 2 2 35 35 TRP HZ2 H 1 7.24 0.005 . 1 . . . . . . . . 5397 2 463 . 2 2 35 35 TRP HZ3 H 1 6.39 0.005 . 1 . . . . . . . . 5397 2 464 . 2 2 35 35 TRP HH2 H 1 6.85 0.005 . 1 . . . . . . . . 5397 2 465 . 2 2 35 35 TRP C C 13 177.9 0.05 . 1 . . . . . . . . 5397 2 466 . 2 2 35 35 TRP CA C 13 59.7 0.05 . 1 . . . . . . . . 5397 2 467 . 2 2 35 35 TRP CB C 13 29.5 0.05 . 1 . . . . . . . . 5397 2 468 . 2 2 35 35 TRP CD1 C 13 129.9 0.05 . 1 . . . . . . . . 5397 2 469 . 2 2 35 35 TRP CE3 C 13 120.8 0.05 . 1 . . . . . . . . 5397 2 470 . 2 2 35 35 TRP CZ2 C 13 113.6 0.05 . 1 . . . . . . . . 5397 2 471 . 2 2 35 35 TRP CZ3 C 13 120.2 0.05 . 1 . . . . . . . . 5397 2 472 . 2 2 35 35 TRP CH2 C 13 123.5 0.05 . 1 . . . . . . . . 5397 2 473 . 2 2 36 36 ASP N N 15 116.5 0.05 . 1 . . . . . . . . 5397 2 474 . 2 2 36 36 ASP H H 1 7.64 0.005 . 1 . . . . . . . . 5397 2 475 . 2 2 36 36 ASP HA H 1 4.35 0.005 . 1 . . . . . . . . 5397 2 476 . 2 2 36 36 ASP HB2 H 1 2.71 0.005 . 2 . . . . . . . . 5397 2 477 . 2 2 36 36 ASP HB3 H 1 2.82 0.005 . 2 . . . . . . . . 5397 2 478 . 2 2 36 36 ASP C C 13 177.3 0.05 . 1 . . . . . . . . 5397 2 479 . 2 2 36 36 ASP CA C 13 56.5 0.05 . 1 . . . . . . . . 5397 2 480 . 2 2 36 36 ASP CB C 13 41.1 0.05 . 1 . . . . . . . . 5397 2 481 . 2 2 37 37 ASP N N 15 114.5 0.05 . 1 . . . . . . . . 5397 2 482 . 2 2 37 37 ASP H H 1 7.53 0.005 . 1 . . . . . . . . 5397 2 483 . 2 2 37 37 ASP HA H 1 4.81 0.005 . 1 . . . . . . . . 5397 2 484 . 2 2 37 37 ASP HB3 H 1 2.50 0.005 . 1 . . . . . . . . 5397 2 485 . 2 2 37 37 ASP HB2 H 1 2.94 0.005 . 1 . . . . . . . . 5397 2 486 . 2 2 37 37 ASP CA C 13 51.7 0.05 . 1 . . . . . . . . 5397 2 487 . 2 2 37 37 ASP CB C 13 40.3 0.05 . 1 . . . . . . . . 5397 2 488 . 2 2 38 38 PRO HA H 1 4.36 0.005 . 1 . . . . . . . . 5397 2 489 . 2 2 38 38 PRO HB2 H 1 1.75 0.005 . 2 . . . . . . . . 5397 2 490 . 2 2 38 38 PRO HB3 H 1 1.99 0.005 . 2 . . . . . . . . 5397 2 491 . 2 2 38 38 PRO HG2 H 1 1.77 0.005 . 2 . . . . . . . . 5397 2 492 . 2 2 38 38 PRO HG3 H 1 1.85 0.005 . 2 . . . . . . . . 5397 2 493 . 2 2 38 38 PRO HD2 H 1 3.50 0.005 . 2 . . . . . . . . 5397 2 494 . 2 2 38 38 PRO HD3 H 1 3.59 0.005 . 2 . . . . . . . . 5397 2 495 . 2 2 38 38 PRO C C 13 178.5 0.05 . 1 . . . . . . . . 5397 2 496 . 2 2 38 38 PRO CA C 13 64.2 0.05 . 1 . . . . . . . . 5397 2 497 . 2 2 38 38 PRO CB C 13 32.2 0.05 . 1 . . . . . . . . 5397 2 498 . 2 2 38 38 PRO CG C 13 27.1 0.05 . 1 . . . . . . . . 5397 2 499 . 2 2 38 38 PRO CD C 13 49.9 0.05 . 1 . . . . . . . . 5397 2 500 . 2 2 39 39 SER N N 15 114.3 0.05 . 1 . . . . . . . . 5397 2 501 . 2 2 39 39 SER H H 1 7.92 0.005 . 1 . . . . . . . . 5397 2 502 . 2 2 39 39 SER HA H 1 4.00 0.005 . 1 . . . . . . . . 5397 2 503 . 2 2 39 39 SER HB3 H 1 3.95 0.005 . 1 . . . . . . . . 5397 2 504 . 2 2 39 39 SER HB2 H 1 3.82 0.005 . 1 . . . . . . . . 5397 2 505 . 2 2 39 39 SER C C 13 176.2 0.05 . 1 . . . . . . . . 5397 2 506 . 2 2 39 39 SER CA C 13 61.0 0.05 . 1 . . . . . . . . 5397 2 507 . 2 2 39 39 SER CB C 13 62.6 0.05 . 1 . . . . . . . . 5397 2 508 . 2 2 40 40 GLN N N 15 120.9 0.05 . 1 . . . . . . . . 5397 2 509 . 2 2 40 40 GLN NE2 N 15 114.5 0.05 . 1 . . . . . . . . 5397 2 510 . 2 2 40 40 GLN H H 1 7.84 0.005 . 1 . . . . . . . . 5397 2 511 . 2 2 40 40 GLN HA H 1 4.62 0.005 . 1 . . . . . . . . 5397 2 512 . 2 2 40 40 GLN HB3 H 1 2.66 0.005 . 1 . . . . . . . . 5397 2 513 . 2 2 40 40 GLN HB2 H 1 2.02 0.005 . 1 . . . . . . . . 5397 2 514 . 2 2 40 40 GLN HG2 H 1 2.29 0.005 . 2 . . . . . . . . 5397 2 515 . 2 2 40 40 GLN HG3 H 1 2.44 0.005 . 2 . . . . . . . . 5397 2 516 . 2 2 40 40 GLN HE21 H 1 6.81 0.005 . 2 . . . . . . . . 5397 2 517 . 2 2 40 40 GLN HE22 H 1 7.53 0.005 . 2 . . . . . . . . 5397 2 518 . 2 2 40 40 GLN C C 13 176.3 0.05 . 1 . . . . . . . . 5397 2 519 . 2 2 40 40 GLN CA C 13 54.9 0.05 . 1 . . . . . . . . 5397 2 520 . 2 2 40 40 GLN CG C 13 33.7 0.05 . 1 . . . . . . . . 5397 2 521 . 2 2 40 40 GLN CB C 13 28.1 0.05 . 1 . . . . . . . . 5397 2 522 . 2 2 41 41 SER N N 15 116.2 0.05 . 1 . . . . . . . . 5397 2 523 . 2 2 41 41 SER H H 1 7.55 0.005 . 1 . . . . . . . . 5397 2 524 . 2 2 41 41 SER HA H 1 3.79 0.005 . 1 . . . . . . . . 5397 2 525 . 2 2 41 41 SER HB2 H 1 3.80 0.005 . 2 . . . . . . . . 5397 2 526 . 2 2 41 41 SER HB3 H 1 3.98 0.005 . 2 . . . . . . . . 5397 2 527 . 2 2 41 41 SER C C 13 174.6 0.05 . 1 . . . . . . . . 5397 2 528 . 2 2 41 41 SER CA C 13 63.3 0.05 . 1 . . . . . . . . 5397 2 529 . 2 2 41 41 SER CB C 13 62.5 0.05 . 1 . . . . . . . . 5397 2 530 . 2 2 42 42 ALA N N 15 123.1 0.05 . 1 . . . . . . . . 5397 2 531 . 2 2 42 42 ALA H H 1 8.40 0.005 . 1 . . . . . . . . 5397 2 532 . 2 2 42 42 ALA HA H 1 4.16 0.005 . 1 . . . . . . . . 5397 2 533 . 2 2 42 42 ALA HB1 H 1 1.45 0.005 . 1 . . . . . . . . 5397 2 534 . 2 2 42 42 ALA HB2 H 1 1.45 0.005 . 1 . . . . . . . . 5397 2 535 . 2 2 42 42 ALA HB3 H 1 1.45 0.005 . 1 . . . . . . . . 5397 2 536 . 2 2 42 42 ALA C C 13 181.0 0.05 . 1 . . . . . . . . 5397 2 537 . 2 2 42 42 ALA CA C 13 55.5 0.05 . 1 . . . . . . . . 5397 2 538 . 2 2 42 42 ALA CB C 13 18.0 0.05 . 1 . . . . . . . . 5397 2 539 . 2 2 43 43 ASN N N 15 118.9 0.05 . 1 . . . . . . . . 5397 2 540 . 2 2 43 43 ASN ND2 N 15 113.3 0.05 . 1 . . . . . . . . 5397 2 541 . 2 2 43 43 ASN H H 1 7.91 0.005 . 1 . . . . . . . . 5397 2 542 . 2 2 43 43 ASN HA H 1 4.55 0.005 . 1 . . . . . . . . 5397 2 543 . 2 2 43 43 ASN HD21 H 1 6.98 0.005 . 2 . . . . . . . . 5397 2 544 . 2 2 43 43 ASN HD22 H 1 7.74 0.005 . 2 . . . . . . . . 5397 2 545 . 2 2 43 43 ASN HB2 H 1 2.89 0.005 . 1 . . . . . . . . 5397 2 546 . 2 2 43 43 ASN HB3 H 1 2.89 0.005 . 1 . . . . . . . . 5397 2 547 . 2 2 43 43 ASN C C 13 177.9 0.05 . 1 . . . . . . . . 5397 2 548 . 2 2 43 43 ASN CA C 13 56.0 0.05 . 1 . . . . . . . . 5397 2 549 . 2 2 43 43 ASN CB C 13 38.2 0.05 . 1 . . . . . . . . 5397 2 550 . 2 2 44 44 LEU N N 15 122.3 0.05 . 1 . . . . . . . . 5397 2 551 . 2 2 44 44 LEU H H 1 8.65 0.005 . 1 . . . . . . . . 5397 2 552 . 2 2 44 44 LEU HA H 1 4.18 0.005 . 1 . . . . . . . . 5397 2 553 . 2 2 44 44 LEU HB3 H 1 1.31 0.005 . 1 . . . . . . . . 5397 2 554 . 2 2 44 44 LEU HB2 H 1 1.86 0.005 . 1 . . . . . . . . 5397 2 555 . 2 2 44 44 LEU HG H 1 1.88 0.005 . 1 . . . . . . . . 5397 2 556 . 2 2 44 44 LEU HD11 H 1 0.89 0.005 . 2 . . . . . . . . 5397 2 557 . 2 2 44 44 LEU HD12 H 1 0.89 0.005 . 2 . . . . . . . . 5397 2 558 . 2 2 44 44 LEU HD13 H 1 0.89 0.005 . 2 . . . . . . . . 5397 2 559 . 2 2 44 44 LEU HD21 H 1 1.17 0.005 . 2 . . . . . . . . 5397 2 560 . 2 2 44 44 LEU HD22 H 1 1.17 0.005 . 2 . . . . . . . . 5397 2 561 . 2 2 44 44 LEU HD23 H 1 1.17 0.005 . 2 . . . . . . . . 5397 2 562 . 2 2 44 44 LEU C C 13 178.5 0.05 . 1 . . . . . . . . 5397 2 563 . 2 2 44 44 LEU CA C 13 58.1 0.05 . 1 . . . . . . . . 5397 2 564 . 2 2 44 44 LEU CB C 13 42.4 0.05 . 1 . . . . . . . . 5397 2 565 . 2 2 44 44 LEU CG C 13 27.3 0.05 . 1 . . . . . . . . 5397 2 566 . 2 2 44 44 LEU CD1 C 13 26.2 0.05 . 2 . . . . . . . . 5397 2 567 . 2 2 44 44 LEU CD2 C 13 23.4 0.05 . 2 . . . . . . . . 5397 2 568 . 2 2 45 45 LEU N N 15 119.6 0.05 . 1 . . . . . . . . 5397 2 569 . 2 2 45 45 LEU H H 1 8.42 0.005 . 1 . . . . . . . . 5397 2 570 . 2 2 45 45 LEU HA H 1 3.80 0.005 . 1 . . . . . . . . 5397 2 571 . 2 2 45 45 LEU HB2 H 1 1.82 0.005 . 2 . . . . . . . . 5397 2 572 . 2 2 45 45 LEU HB3 H 1 1.59 0.005 . 2 . . . . . . . . 5397 2 573 . 2 2 45 45 LEU HG H 1 1.59 0.005 . 1 . . . . . . . . 5397 2 574 . 2 2 45 45 LEU HD11 H 1 0.90 0.005 . 2 . . . . . . . . 5397 2 575 . 2 2 45 45 LEU HD12 H 1 0.90 0.005 . 2 . . . . . . . . 5397 2 576 . 2 2 45 45 LEU HD13 H 1 0.90 0.005 . 2 . . . . . . . . 5397 2 577 . 2 2 45 45 LEU HD21 H 1 0.92 0.005 . 2 . . . . . . . . 5397 2 578 . 2 2 45 45 LEU HD22 H 1 0.92 0.005 . 2 . . . . . . . . 5397 2 579 . 2 2 45 45 LEU HD23 H 1 0.92 0.005 . 2 . . . . . . . . 5397 2 580 . 2 2 45 45 LEU C C 13 178.2 0.05 . 1 . . . . . . . . 5397 2 581 . 2 2 45 45 LEU CA C 13 58.1 0.05 . 1 . . . . . . . . 5397 2 582 . 2 2 45 45 LEU CB C 13 42.0 0.05 . 1 . . . . . . . . 5397 2 583 . 2 2 45 45 LEU CG C 13 27.2 0.05 . 1 . . . . . . . . 5397 2 584 . 2 2 45 45 LEU CD1 C 13 24.0 0.05 . 2 . . . . . . . . 5397 2 585 . 2 2 45 45 LEU CD2 C 13 25.2 0.05 . 2 . . . . . . . . 5397 2 586 . 2 2 46 46 ALA N N 15 120.3 0.05 . 1 . . . . . . . . 5397 2 587 . 2 2 46 46 ALA H H 1 7.66 0.005 . 1 . . . . . . . . 5397 2 588 . 2 2 46 46 ALA HA H 1 4.06 0.005 . 1 . . . . . . . . 5397 2 589 . 2 2 46 46 ALA HB1 H 1 1.56 0.005 . 1 . . . . . . . . 5397 2 590 . 2 2 46 46 ALA HB2 H 1 1.56 0.005 . 1 . . . . . . . . 5397 2 591 . 2 2 46 46 ALA HB3 H 1 1.56 0.005 . 1 . . . . . . . . 5397 2 592 . 2 2 46 46 ALA C C 13 181.2 0.05 . 1 . . . . . . . . 5397 2 593 . 2 2 46 46 ALA CA C 13 55.3 0.05 . 1 . . . . . . . . 5397 2 594 . 2 2 46 46 ALA CB C 13 17.9 0.05 . 1 . . . . . . . . 5397 2 595 . 2 2 47 47 GLU N N 15 120.1 0.05 . 1 . . . . . . . . 5397 2 596 . 2 2 47 47 GLU H H 1 8.15 0.005 . 1 . . . . . . . . 5397 2 597 . 2 2 47 47 GLU HA H 1 4.04 0.005 . 1 . . . . . . . . 5397 2 598 . 2 2 47 47 GLU HG2 H 1 2.50 0.005 . 2 . . . . . . . . 5397 2 599 . 2 2 47 47 GLU HG3 H 1 2.55 0.005 . 2 . . . . . . . . 5397 2 600 . 2 2 47 47 GLU HB2 H 1 2.28 0.005 . 1 . . . . . . . . 5397 2 601 . 2 2 47 47 GLU HB3 H 1 2.28 0.005 . 1 . . . . . . . . 5397 2 602 . 2 2 47 47 GLU C C 13 179.0 0.05 . 1 . . . . . . . . 5397 2 603 . 2 2 47 47 GLU CA C 13 59.2 0.05 . 1 . . . . . . . . 5397 2 604 . 2 2 47 47 GLU CB C 13 29.6 0.05 . 1 . . . . . . . . 5397 2 605 . 2 2 47 47 GLU CG C 13 35.9 0.05 . 1 . . . . . . . . 5397 2 606 . 2 2 48 48 ALA N N 15 124.7 0.05 . 1 . . . . . . . . 5397 2 607 . 2 2 48 48 ALA H H 1 8.42 0.005 . 1 . . . . . . . . 5397 2 608 . 2 2 48 48 ALA HA H 1 3.51 0.005 . 1 . . . . . . . . 5397 2 609 . 2 2 48 48 ALA HB1 H 1 0.59 0.005 . 1 . . . . . . . . 5397 2 610 . 2 2 48 48 ALA HB2 H 1 0.59 0.005 . 1 . . . . . . . . 5397 2 611 . 2 2 48 48 ALA HB3 H 1 0.59 0.005 . 1 . . . . . . . . 5397 2 612 . 2 2 48 48 ALA C C 13 179.6 0.05 . 1 . . . . . . . . 5397 2 613 . 2 2 48 48 ALA CA C 13 55.4 0.05 . 1 . . . . . . . . 5397 2 614 . 2 2 48 48 ALA CB C 13 17.4 0.05 . 1 . . . . . . . . 5397 2 615 . 2 2 49 49 LYS N N 15 118.7 0.05 . 1 . . . . . . . . 5397 2 616 . 2 2 49 49 LYS H H 1 8.44 0.005 . 1 . . . . . . . . 5397 2 617 . 2 2 49 49 LYS HA H 1 3.80 0.005 . 1 . . . . . . . . 5397 2 618 . 2 2 49 49 LYS HB2 H 1 1.82 0.005 . 2 . . . . . . . . 5397 2 619 . 2 2 49 49 LYS HB3 H 1 1.96 0.005 . 2 . . . . . . . . 5397 2 620 . 2 2 49 49 LYS HG2 H 1 1.35 0.005 . 2 . . . . . . . . 5397 2 621 . 2 2 49 49 LYS HG3 H 1 1.67 0.005 . 2 . . . . . . . . 5397 2 622 . 2 2 49 49 LYS HD2 H 1 1.65 0.005 . 1 . . . . . . . . 5397 2 623 . 2 2 49 49 LYS HD3 H 1 1.65 0.005 . 1 . . . . . . . . 5397 2 624 . 2 2 49 49 LYS HE2 H 1 2.84 0.005 . 1 . . . . . . . . 5397 2 625 . 2 2 49 49 LYS HE3 H 1 2.93 0.005 . 1 . . . . . . . . 5397 2 626 . 2 2 49 49 LYS C C 13 179.0 0.05 . 1 . . . . . . . . 5397 2 627 . 2 2 49 49 LYS CA C 13 60.4 0.05 . 1 . . . . . . . . 5397 2 628 . 2 2 49 49 LYS CB C 13 32.3 0.05 . 1 . . . . . . . . 5397 2 629 . 2 2 49 49 LYS CG C 13 26.8 0.05 . 1 . . . . . . . . 5397 2 630 . 2 2 49 49 LYS CD C 13 29.5 0.05 . 1 . . . . . . . . 5397 2 631 . 2 2 49 49 LYS CE C 13 41.9 0.05 . 1 . . . . . . . . 5397 2 632 . 2 2 50 50 LYS N N 15 121.2 0.05 . 1 . . . . . . . . 5397 2 633 . 2 2 50 50 LYS H H 1 7.82 0.005 . 1 . . . . . . . . 5397 2 634 . 2 2 50 50 LYS HA H 1 4.15 0.005 . 1 . . . . . . . . 5397 2 635 . 2 2 50 50 LYS HB3 H 1 1.64 0.005 . 1 . . . . . . . . 5397 2 636 . 2 2 50 50 LYS HB2 H 1 1.97 0.005 . 1 . . . . . . . . 5397 2 637 . 2 2 50 50 LYS HG2 H 1 1.46 0.005 . 2 . . . . . . . . 5397 2 638 . 2 2 50 50 LYS HG3 H 1 1.67 0.005 . 2 . . . . . . . . 5397 2 639 . 2 2 50 50 LYS HD2 H 1 1.74 0.005 . 1 . . . . . . . . 5397 2 640 . 2 2 50 50 LYS HD3 H 1 1.74 0.005 . 1 . . . . . . . . 5397 2 641 . 2 2 50 50 LYS HE2 H 1 3.00 0.005 . 1 . . . . . . . . 5397 2 642 . 2 2 50 50 LYS HE3 H 1 3.00 0.005 . 1 . . . . . . . . 5397 2 643 . 2 2 50 50 LYS C C 13 179.8 0.05 . 1 . . . . . . . . 5397 2 644 . 2 2 50 50 LYS CA C 13 59.7 0.05 . 1 . . . . . . . . 5397 2 645 . 2 2 50 50 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 5397 2 646 . 2 2 50 50 LYS CG C 13 25.0 0.05 . 1 . . . . . . . . 5397 2 647 . 2 2 50 50 LYS CD C 13 29.6 0.05 . 1 . . . . . . . . 5397 2 648 . 2 2 50 50 LYS CE C 13 42.1 0.05 . 1 . . . . . . . . 5397 2 649 . 2 2 51 51 LEU N N 15 123.2 0.05 . 1 . . . . . . . . 5397 2 650 . 2 2 51 51 LEU H H 1 7.94 0.005 . 1 . . . . . . . . 5397 2 651 . 2 2 51 51 LEU HA H 1 4.23 0.005 . 1 . . . . . . . . 5397 2 652 . 2 2 51 51 LEU HB3 H 1 1.92 0.005 . 1 . . . . . . . . 5397 2 653 . 2 2 51 51 LEU HB2 H 1 1.72 0.005 . 1 . . . . . . . . 5397 2 654 . 2 2 51 51 LEU HG H 1 1.55 0.005 . 1 . . . . . . . . 5397 2 655 . 2 2 51 51 LEU HD11 H 1 1.01 0.005 . 2 . . . . . . . . 5397 2 656 . 2 2 51 51 LEU HD12 H 1 1.01 0.005 . 2 . . . . . . . . 5397 2 657 . 2 2 51 51 LEU HD13 H 1 1.01 0.005 . 2 . . . . . . . . 5397 2 658 . 2 2 51 51 LEU HD21 H 1 1.05 0.005 . 2 . . . . . . . . 5397 2 659 . 2 2 51 51 LEU HD22 H 1 1.05 0.005 . 2 . . . . . . . . 5397 2 660 . 2 2 51 51 LEU HD23 H 1 1.05 0.005 . 2 . . . . . . . . 5397 2 661 . 2 2 51 51 LEU C C 13 178.0 0.05 . 1 . . . . . . . . 5397 2 662 . 2 2 51 51 LEU CA C 13 57.9 0.05 . 1 . . . . . . . . 5397 2 663 . 2 2 51 51 LEU CB C 13 41.9 0.05 . 1 . . . . . . . . 5397 2 664 . 2 2 51 51 LEU CG C 13 26.8 0.05 . 1 . . . . . . . . 5397 2 665 . 2 2 51 51 LEU CD1 C 13 23.3 0.05 . 2 . . . . . . . . 5397 2 666 . 2 2 51 51 LEU CD2 C 13 25.3 0.05 . 2 . . . . . . . . 5397 2 667 . 2 2 52 52 ASN N N 15 118.3 0.05 . 1 . . . . . . . . 5397 2 668 . 2 2 52 52 ASN ND2 N 15 116.6 0.05 . 1 . . . . . . . . 5397 2 669 . 2 2 52 52 ASN H H 1 8.57 0.005 . 1 . . . . . . . . 5397 2 670 . 2 2 52 52 ASN HA H 1 3.98 0.005 . 1 . . . . . . . . 5397 2 671 . 2 2 52 52 ASN HB3 H 1 3.14 0.005 . 1 . . . . . . . . 5397 2 672 . 2 2 52 52 ASN HB2 H 1 2.47 0.005 . 1 . . . . . . . . 5397 2 673 . 2 2 52 52 ASN HD21 H 1 6.70 0.005 . 2 . . . . . . . . 5397 2 674 . 2 2 52 52 ASN HD22 H 1 7.98 0.005 . 2 . . . . . . . . 5397 2 675 . 2 2 52 52 ASN C C 13 177.5 0.05 . 1 . . . . . . . . 5397 2 676 . 2 2 52 52 ASN CA C 13 57.9 0.05 . 1 . . . . . . . . 5397 2 677 . 2 2 52 52 ASN CB C 13 41.4 0.05 . 1 . . . . . . . . 5397 2 678 . 2 2 53 53 ASP N N 15 119.5 0.05 . 1 . . . . . . . . 5397 2 679 . 2 2 53 53 ASP H H 1 8.13 0.005 . 1 . . . . . . . . 5397 2 680 . 2 2 53 53 ASP HA H 1 4.49 0.005 . 1 . . . . . . . . 5397 2 681 . 2 2 53 53 ASP HB2 H 1 2.75 0.005 . 2 . . . . . . . . 5397 2 682 . 2 2 53 53 ASP HB3 H 1 2.80 0.005 . 2 . . . . . . . . 5397 2 683 . 2 2 53 53 ASP C C 13 178.9 0.05 . 1 . . . . . . . . 5397 2 684 . 2 2 53 53 ASP CA C 13 56.9 0.05 . 1 . . . . . . . . 5397 2 685 . 2 2 53 53 ASP CB C 13 40.2 0.05 . 1 . . . . . . . . 5397 2 686 . 2 2 54 54 ALA N N 15 123.7 0.05 . 1 . . . . . . . . 5397 2 687 . 2 2 54 54 ALA H H 1 8.04 0.005 . 1 . . . . . . . . 5397 2 688 . 2 2 54 54 ALA HA H 1 4.25 0.005 . 1 . . . . . . . . 5397 2 689 . 2 2 54 54 ALA HB1 H 1 1.63 0.005 . 1 . . . . . . . . 5397 2 690 . 2 2 54 54 ALA HB2 H 1 1.63 0.005 . 1 . . . . . . . . 5397 2 691 . 2 2 54 54 ALA HB3 H 1 1.63 0.005 . 1 . . . . . . . . 5397 2 692 . 2 2 54 54 ALA C C 13 179.4 0.05 . 1 . . . . . . . . 5397 2 693 . 2 2 54 54 ALA CA C 13 54.3 0.05 . 1 . . . . . . . . 5397 2 694 . 2 2 54 54 ALA CB C 13 18.5 0.05 . 1 . . . . . . . . 5397 2 695 . 2 2 55 55 GLN N N 15 115.5 0.05 . 1 . . . . . . . . 5397 2 696 . 2 2 55 55 GLN NE2 N 15 111.7 0.05 . 1 . . . . . . . . 5397 2 697 . 2 2 55 55 GLN H H 1 7.58 0.005 . 1 . . . . . . . . 5397 2 698 . 2 2 55 55 GLN HA H 1 4.39 0.005 . 1 . . . . . . . . 5397 2 699 . 2 2 55 55 GLN HB3 H 1 2.50 0.005 . 1 . . . . . . . . 5397 2 700 . 2 2 55 55 GLN HB2 H 1 1.82 0.005 . 1 . . . . . . . . 5397 2 701 . 2 2 55 55 GLN HG2 H 1 2.31 0.005 . 2 . . . . . . . . 5397 2 702 . 2 2 55 55 GLN HG3 H 1 2.65 0.005 . 2 . . . . . . . . 5397 2 703 . 2 2 55 55 GLN HE21 H 1 7.39 0.005 . 2 . . . . . . . . 5397 2 704 . 2 2 55 55 GLN HE22 H 1 8.50 0.005 . 2 . . . . . . . . 5397 2 705 . 2 2 55 55 GLN C C 13 174.3 0.05 . 1 . . . . . . . . 5397 2 706 . 2 2 55 55 GLN CA C 13 55.2 0.05 . 1 . . . . . . . . 5397 2 707 . 2 2 55 55 GLN CB C 13 28.4 0.05 . 1 . . . . . . . . 5397 2 708 . 2 2 55 55 GLN CG C 13 35.8 0.05 . 1 . . . . . . . . 5397 2 709 . 2 2 56 56 ALA N N 15 125.2 0.05 . 1 . . . . . . . . 5397 2 710 . 2 2 56 56 ALA H H 1 7.15 0.005 . 1 . . . . . . . . 5397 2 711 . 2 2 56 56 ALA HA H 1 4.37 0.005 . 1 . . . . . . . . 5397 2 712 . 2 2 56 56 ALA HB1 H 1 1.46 0.005 . 1 . . . . . . . . 5397 2 713 . 2 2 56 56 ALA HB2 H 1 1.46 0.005 . 1 . . . . . . . . 5397 2 714 . 2 2 56 56 ALA HB3 H 1 1.46 0.005 . 1 . . . . . . . . 5397 2 715 . 2 2 56 56 ALA C C 13 175.6 0.05 . 1 . . . . . . . . 5397 2 716 . 2 2 56 56 ALA CA C 13 51.1 0.05 . 1 . . . . . . . . 5397 2 717 . 2 2 56 56 ALA CB C 13 18.0 0.05 . 1 . . . . . . . . 5397 2 718 . 2 2 57 57 PRO HA H 1 4.45 0.005 . 1 . . . . . . . . 5397 2 719 . 2 2 57 57 PRO HB2 H 1 1.98 0.005 . 2 . . . . . . . . 5397 2 720 . 2 2 57 57 PRO HB3 H 1 2.31 0.005 . 2 . . . . . . . . 5397 2 721 . 2 2 57 57 PRO HD2 H 1 3.65 0.005 . 2 . . . . . . . . 5397 2 722 . 2 2 57 57 PRO HD3 H 1 3.77 0.005 . 2 . . . . . . . . 5397 2 723 . 2 2 57 57 PRO HG2 H 1 2.10 0.005 . 1 . . . . . . . . 5397 2 724 . 2 2 57 57 PRO HG3 H 1 2.10 0.005 . 1 . . . . . . . . 5397 2 725 . 2 2 57 57 PRO C C 13 176.2 0.05 . 1 . . . . . . . . 5397 2 726 . 2 2 57 57 PRO CA C 13 63.4 0.05 . 1 . . . . . . . . 5397 2 727 . 2 2 57 57 PRO CB C 13 31.9 0.05 . 1 . . . . . . . . 5397 2 728 . 2 2 57 57 PRO CG C 13 27.4 0.05 . 1 . . . . . . . . 5397 2 729 . 2 2 57 57 PRO CD C 13 50.5 0.05 . 1 . . . . . . . . 5397 2 730 . 2 2 58 58 LYS N N 15 127.9 0.05 . 1 . . . . . . . . 5397 2 731 . 2 2 58 58 LYS H H 1 8.02 0.005 . 1 . . . . . . . . 5397 2 732 . 2 2 58 58 LYS HA H 1 4.24 0.005 . 1 . . . . . . . . 5397 2 733 . 2 2 58 58 LYS HB3 H 1 1.88 0.005 . 1 . . . . . . . . 5397 2 734 . 2 2 58 58 LYS HB2 H 1 1.73 0.005 . 1 . . . . . . . . 5397 2 735 . 2 2 58 58 LYS HE2 H 1 2.99 0.005 . 2 . . . . . . . . 5397 2 736 . 2 2 58 58 LYS HE3 H 1 3.05 0.005 . 2 . . . . . . . . 5397 2 737 . 2 2 58 58 LYS HG2 H 1 1.45 0.005 . 1 . . . . . . . . 5397 2 738 . 2 2 58 58 LYS HG3 H 1 1.45 0.005 . 1 . . . . . . . . 5397 2 739 . 2 2 58 58 LYS HD2 H 1 1.71 0.005 . 1 . . . . . . . . 5397 2 740 . 2 2 58 58 LYS HD3 H 1 1.71 0.005 . 1 . . . . . . . . 5397 2 741 . 2 2 58 58 LYS C C 13 181.5 0.05 . 1 . . . . . . . . 5397 2 742 . 2 2 58 58 LYS CA C 13 57.4 0.05 . 1 . . . . . . . . 5397 2 743 . 2 2 58 58 LYS CB C 13 33.8 0.05 . 1 . . . . . . . . 5397 2 744 . 2 2 58 58 LYS CG C 13 24.6 0.05 . 1 . . . . . . . . 5397 2 745 . 2 2 58 58 LYS CD C 13 29.0 0.05 . 1 . . . . . . . . 5397 2 746 . 2 2 58 58 LYS CE C 13 42.4 0.05 . 1 . . . . . . . . 5397 2 stop_ save_