data_6730 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6730 _Entry.Title ; Chemical shift assignments for Filamin a domain 17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-14 _Entry.Accession_date 2005-07-14 _Entry.Last_release_date 2007-02-05 _Entry.Original_release_date 2007-02-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Outi Heikkinen . K. . 6730 2 Ilkka Kilpelainen . A. . 6730 3 Perttu Permi . . . 6730 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Department of Chemistry, University of Helsinki' . 6730 . . 'Intitute of Biotechnology' . 6730 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6730 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 6730 '15N chemical shifts' 94 6730 '1H chemical shifts' 600 6730 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 . . 2007-02-05 2005-07-14 original author . 6730 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2AAV 'BMRB Entry Tracking System' 6730 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6730 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16293600 _Citation.Full_citation . _Citation.Title 'The structure of the GPIb-filamin A complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Blood _Citation.Journal_name_full . _Citation.Journal_volume 107 _Citation.Journal_issue 5 _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 1925 _Citation.Page_last 1932 _Citation.Year 2006 _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 Fumihiko Nakamura . . . 6730 1 2 Regina Pudas . . . 6730 1 3 Outi Heikkinen . K. . 6730 1 4 Perttu Permi . . . 6730 1 5 Ilkka Kilpelainen . A. . 6730 1 6 Adam Munday . D. . 6730 1 7 John Hartwig . H. . 6730 1 8 Thomas Stossel . P. . 6730 1 9 Jari Ylanne . . . 6730 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Structure of Filamin A domain 17' 6730 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6730 _Assembly.ID 1 _Assembly.Name 'Human Filamin A domain 17' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 10000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Filamin A domain 17' 1 $Filamin_A_domain_17 . . yes native no no . . . 6730 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2AAV . . NMR . . . 6730 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Filamin_A_domain_17 _Entity.Sf_category entity _Entity.Sf_framecode Filamin_A_domain_17 _Entity.Entry_ID 6730 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Filamin A domain 17' _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 ; GAMVVNCGHVTAYGPGLTHG VVNKPATFTVNTKDAGEGGL SLAIEGPSKAEISCTDNQDG TCSVSYLPVLPGDYSILVKY NEQHVPGSPFTARVTGDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Numbering in chemical shift tables: 1-98 Numbering compared to whole Filamin A: -4,-3,-2,-1,1863..1956 ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2AAV . "Solution Nmr Structure Of Filamin A Domain 17" . . . . . 100.00 98 100.00 100.00 6.90e-64 . . . . 6730 1 2 no PDB 2BP3 . "Crystal Structure Of Filamin A Domain 17 And Gpib Alpha Cytoplasmic Domain Complex" . . . . . 100.00 97 98.98 98.98 1.88e-61 . . . . 6730 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Actin binding protein' 6730 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin A (ABP-280, FLNA) domain 17' . 6730 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'Filamin A domain 17' 6730 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 . GLY . 6730 1 2 . ALA . 6730 1 3 . MET . 6730 1 4 . VAL . 6730 1 5 . VAL . 6730 1 6 . ASN . 6730 1 7 . CYS . 6730 1 8 . GLY . 6730 1 9 . HIS . 6730 1 10 . VAL . 6730 1 11 . THR . 6730 1 12 . ALA . 6730 1 13 . TYR . 6730 1 14 . GLY . 6730 1 15 . PRO . 6730 1 16 . GLY . 6730 1 17 . LEU . 6730 1 18 . THR . 6730 1 19 . HIS . 6730 1 20 . GLY . 6730 1 21 . VAL . 6730 1 22 . VAL . 6730 1 23 . ASN . 6730 1 24 . LYS . 6730 1 25 . PRO . 6730 1 26 . ALA . 6730 1 27 . THR . 6730 1 28 . PHE . 6730 1 29 . THR . 6730 1 30 . VAL . 6730 1 31 . ASN . 6730 1 32 . THR . 6730 1 33 . LYS . 6730 1 34 . ASP . 6730 1 35 . ALA . 6730 1 36 . GLY . 6730 1 37 . GLU . 6730 1 38 . GLY . 6730 1 39 . GLY . 6730 1 40 . LEU . 6730 1 41 . SER . 6730 1 42 . LEU . 6730 1 43 . ALA . 6730 1 44 . ILE . 6730 1 45 . GLU . 6730 1 46 . GLY . 6730 1 47 . PRO . 6730 1 48 . SER . 6730 1 49 . LYS . 6730 1 50 . ALA . 6730 1 51 . GLU . 6730 1 52 . ILE . 6730 1 53 . SER . 6730 1 54 . CYS . 6730 1 55 . THR . 6730 1 56 . ASP . 6730 1 57 . ASN . 6730 1 58 . GLN . 6730 1 59 . ASP . 6730 1 60 . GLY . 6730 1 61 . THR . 6730 1 62 . CYS . 6730 1 63 . SER . 6730 1 64 . VAL . 6730 1 65 . SER . 6730 1 66 . TYR . 6730 1 67 . LEU . 6730 1 68 . PRO . 6730 1 69 . VAL . 6730 1 70 . LEU . 6730 1 71 . PRO . 6730 1 72 . GLY . 6730 1 73 . ASP . 6730 1 74 . TYR . 6730 1 75 . SER . 6730 1 76 . ILE . 6730 1 77 . LEU . 6730 1 78 . VAL . 6730 1 79 . LYS . 6730 1 80 . TYR . 6730 1 81 . ASN . 6730 1 82 . GLU . 6730 1 83 . GLN . 6730 1 84 . HIS . 6730 1 85 . VAL . 6730 1 86 . PRO . 6730 1 87 . GLY . 6730 1 88 . SER . 6730 1 89 . PRO . 6730 1 90 . PHE . 6730 1 91 . THR . 6730 1 92 . ALA . 6730 1 93 . ARG . 6730 1 94 . VAL . 6730 1 95 . THR . 6730 1 96 . GLY . 6730 1 97 . ASP . 6730 1 98 . ASP . 6730 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6730 1 . ALA 2 2 6730 1 . MET 3 3 6730 1 . VAL 4 4 6730 1 . VAL 5 5 6730 1 . ASN 6 6 6730 1 . CYS 7 7 6730 1 . GLY 8 8 6730 1 . HIS 9 9 6730 1 . VAL 10 10 6730 1 . THR 11 11 6730 1 . ALA 12 12 6730 1 . TYR 13 13 6730 1 . GLY 14 14 6730 1 . PRO 15 15 6730 1 . GLY 16 16 6730 1 . LEU 17 17 6730 1 . THR 18 18 6730 1 . HIS 19 19 6730 1 . GLY 20 20 6730 1 . VAL 21 21 6730 1 . VAL 22 22 6730 1 . ASN 23 23 6730 1 . LYS 24 24 6730 1 . PRO 25 25 6730 1 . ALA 26 26 6730 1 . THR 27 27 6730 1 . PHE 28 28 6730 1 . THR 29 29 6730 1 . VAL 30 30 6730 1 . ASN 31 31 6730 1 . THR 32 32 6730 1 . LYS 33 33 6730 1 . ASP 34 34 6730 1 . ALA 35 35 6730 1 . GLY 36 36 6730 1 . GLU 37 37 6730 1 . GLY 38 38 6730 1 . GLY 39 39 6730 1 . LEU 40 40 6730 1 . SER 41 41 6730 1 . LEU 42 42 6730 1 . ALA 43 43 6730 1 . ILE 44 44 6730 1 . GLU 45 45 6730 1 . GLY 46 46 6730 1 . PRO 47 47 6730 1 . SER 48 48 6730 1 . LYS 49 49 6730 1 . ALA 50 50 6730 1 . GLU 51 51 6730 1 . ILE 52 52 6730 1 . SER 53 53 6730 1 . CYS 54 54 6730 1 . THR 55 55 6730 1 . ASP 56 56 6730 1 . ASN 57 57 6730 1 . GLN 58 58 6730 1 . ASP 59 59 6730 1 . GLY 60 60 6730 1 . THR 61 61 6730 1 . CYS 62 62 6730 1 . SER 63 63 6730 1 . VAL 64 64 6730 1 . SER 65 65 6730 1 . TYR 66 66 6730 1 . LEU 67 67 6730 1 . PRO 68 68 6730 1 . VAL 69 69 6730 1 . LEU 70 70 6730 1 . PRO 71 71 6730 1 . GLY 72 72 6730 1 . ASP 73 73 6730 1 . TYR 74 74 6730 1 . SER 75 75 6730 1 . ILE 76 76 6730 1 . LEU 77 77 6730 1 . VAL 78 78 6730 1 . LYS 79 79 6730 1 . TYR 80 80 6730 1 . ASN 81 81 6730 1 . GLU 82 82 6730 1 . GLN 83 83 6730 1 . HIS 84 84 6730 1 . VAL 85 85 6730 1 . PRO 86 86 6730 1 . GLY 87 87 6730 1 . SER 88 88 6730 1 . PRO 89 89 6730 1 . PHE 90 90 6730 1 . THR 91 91 6730 1 . ALA 92 92 6730 1 . ARG 93 93 6730 1 . VAL 94 94 6730 1 . THR 95 95 6730 1 . GLY 96 96 6730 1 . ASP 97 97 6730 1 . ASP 98 98 6730 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6730 _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 $Filamin_A_domain_17 . 9606 organism no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6730 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 6730 _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 $Filamin_A_domain_17 . 'recombinant technology' . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6730 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6730 _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 'Filamin A domain 17' '[U-13C; U-15N]' . . 1 $Filamin_A_domain_17 . protein 0.3 . . mM . . . . 6730 1 2 'Sodium phosphate' . . . . . . buffer 50 . . mM . . . . 6730 1 3 Dithiothreitol . . . . . . 'reducing agent' 10 . . mM . . . . 6730 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6730 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 5 mM 6730 1 pH 6.70 0.05 pH 6730 1 temperature 293 2 K 6730 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6730 _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 Water protons . . . . ppm 4.83 internal direct 1.0 . . . . . . . . . 6730 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6730 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 6730 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID . $software_1 . $method_1 6730 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 3 3 MET H H 1 8.604 0.000 . . . . . . 3 MET H . 6730 1 2 . 1 1 3 3 MET HA H 1 4.174 0.000 . . . . . . 3 MET HA . 6730 1 3 . 1 1 3 3 MET HB2 H 1 2.185 0.000 . . . . . . 3 MET HB2 . 6730 1 4 . 1 1 3 3 MET HG2 H 1 2.635 0.000 . . . . . . 3 MET HG2 . 6730 1 5 . 1 1 3 3 MET HE1 H 1 2.172 0.000 . . . . . . 3 MET HE . 6730 1 6 . 1 1 3 3 MET HE2 H 1 2.172 0.000 . . . . . . 3 MET HE . 6730 1 7 . 1 1 3 3 MET HE3 H 1 2.172 0.000 . . . . . . 3 MET HE . 6730 1 8 . 1 1 3 3 MET CA C 13 54.748 0.000 . . . . . . 3 MET CA . 6730 1 9 . 1 1 3 3 MET CB C 13 32.856 0.000 . . . . . . 3 MET CB . 6730 1 10 . 1 1 3 3 MET CG C 13 30.428 0.000 . . . . . . 3 MET CG . 6730 1 11 . 1 1 3 3 MET CE C 13 16.073 0.000 . . . . . . 3 MET CE . 6730 1 12 . 1 1 3 3 MET N N 15 120.851 0.000 . . . . . . 3 MET N . 6730 1 13 . 1 1 4 4 VAL H H 1 8.311 0.000 . . . . . . 4 VAL H . 6730 1 14 . 1 1 4 4 VAL HA H 1 3.823 0.000 . . . . . . 4 VAL HA . 6730 1 15 . 1 1 4 4 VAL HB H 1 2.268 0.000 . . . . . . 4 VAL HB . 6730 1 16 . 1 1 4 4 VAL HG11 H 1 1.074 0.000 . . . . . . 4 VAL QQG . 6730 1 17 . 1 1 4 4 VAL HG12 H 1 1.074 0.000 . . . . . . 4 VAL QQG . 6730 1 18 . 1 1 4 4 VAL HG13 H 1 1.074 0.000 . . . . . . 4 VAL QQG . 6730 1 19 . 1 1 4 4 VAL HG21 H 1 1.074 0.000 . . . . . . 4 VAL QQG . 6730 1 20 . 1 1 4 4 VAL HG22 H 1 1.074 0.000 . . . . . . 4 VAL QQG . 6730 1 21 . 1 1 4 4 VAL HG23 H 1 1.074 0.000 . . . . . . 4 VAL QQG . 6730 1 22 . 1 1 4 4 VAL CA C 13 60.998 0.000 . . . . . . 4 VAL CA . 6730 1 23 . 1 1 4 4 VAL CB C 13 32.140 0.000 . . . . . . 4 VAL CB . 6730 1 24 . 1 1 4 4 VAL CG1 C 13 18.948 0.000 . . . . . . 4 VAL CG1 . 6730 1 25 . 1 1 4 4 VAL N N 15 122.133 0.000 . . . . . . 4 VAL N . 6730 1 26 . 1 1 5 5 VAL H H 1 8.311 0.001 . . . . . . 5 VAL H . 6730 1 27 . 1 1 5 5 VAL HA H 1 4.257 0.003 . . . . . . 5 VAL HA . 6730 1 28 . 1 1 5 5 VAL HB H 1 2.134 0.004 . . . . . . 5 VAL HB . 6730 1 29 . 1 1 5 5 VAL HG11 H 1 0.981 0.013 . . . . . . 5 VAL QQG . 6730 1 30 . 1 1 5 5 VAL HG12 H 1 0.981 0.013 . . . . . . 5 VAL QQG . 6730 1 31 . 1 1 5 5 VAL HG13 H 1 0.981 0.013 . . . . . . 5 VAL QQG . 6730 1 32 . 1 1 5 5 VAL HG21 H 1 0.981 0.013 . . . . . . 5 VAL QQG . 6730 1 33 . 1 1 5 5 VAL HG22 H 1 0.981 0.013 . . . . . . 5 VAL QQG . 6730 1 34 . 1 1 5 5 VAL HG23 H 1 0.981 0.013 . . . . . . 5 VAL QQG . 6730 1 35 . 1 1 5 5 VAL C C 13 131.870 0.000 . . . . . . 5 VAL C . 6730 1 36 . 1 1 5 5 VAL CA C 13 61.614 0.064 . . . . . . 5 VAL CA . 6730 1 37 . 1 1 5 5 VAL CB C 13 32.284 0.101 . . . . . . 5 VAL CB . 6730 1 38 . 1 1 5 5 VAL CG1 C 13 20.206 0.121 . . . . . . 5 VAL CG1 . 6730 1 39 . 1 1 5 5 VAL N N 15 122.148 0.021 . . . . . . 5 VAL N . 6730 1 40 . 1 1 6 6 ASN H H 1 8.717 0.004 . . . . . . 6 ASN H . 6730 1 41 . 1 1 6 6 ASN HA H 1 4.274 0.002 . . . . . . 6 ASN HA . 6730 1 42 . 1 1 6 6 ASN HB2 H 1 2.969 0.000 . . . . . . 6 ASN HB2 . 6730 1 43 . 1 1 6 6 ASN C C 13 131.106 0.000 . . . . . . 6 ASN C . 6730 1 44 . 1 1 6 6 ASN CA C 13 52.681 0.072 . . . . . . 6 ASN CA . 6730 1 45 . 1 1 6 6 ASN CB C 13 38.714 0.386 . . . . . . 6 ASN CB . 6730 1 46 . 1 1 6 6 ASN N N 15 122.819 0.080 . . . . . . 6 ASN N . 6730 1 47 . 1 1 7 7 CYS H H 1 8.533 0.003 . . . . . . 7 CYS H . 6730 1 48 . 1 1 7 7 CYS HA H 1 4.613 0.000 . . . . . . 7 CYS HA . 6730 1 49 . 1 1 7 7 CYS HB2 H 1 3.015 0.007 . . . . . . 7 CYS HB2 . 6730 1 50 . 1 1 7 7 CYS C C 13 130.844 0.000 . . . . . . 7 CYS C . 6730 1 51 . 1 1 7 7 CYS CA C 13 57.956 0.039 . . . . . . 7 CYS CA . 6730 1 52 . 1 1 7 7 CYS CB C 13 27.587 0.063 . . . . . . 7 CYS CB . 6730 1 53 . 1 1 7 7 CYS N N 15 119.854 0.040 . . . . . . 7 CYS N . 6730 1 54 . 1 1 8 8 GLY H H 1 8.487 0.003 . . . . . . 8 GLY H . 6730 1 55 . 1 1 8 8 GLY HA2 H 1 3.970 0.011 . . . . . . 8 GLY HA2 . 6730 1 56 . 1 1 8 8 GLY C C 13 129.430 0.000 . . . . . . 8 GLY C . 6730 1 57 . 1 1 8 8 GLY CA C 13 44.695 0.060 . . . . . . 8 GLY CA . 6730 1 58 . 1 1 8 8 GLY N N 15 110.803 0.074 . . . . . . 8 GLY N . 6730 1 59 . 1 1 9 9 HIS H H 1 8.237 0.010 . . . . . . 9 HIS H . 6730 1 60 . 1 1 9 9 HIS HA H 1 4.842 0.012 . . . . . . 9 HIS HA . 6730 1 61 . 1 1 9 9 HIS HB2 H 1 3.242 0.000 . . . . . . 9 HIS HB2 . 6730 1 62 . 1 1 9 9 HIS HB3 H 1 3.081 0.000 . . . . . . 9 HIS HB3 . 6730 1 63 . 1 1 9 9 HIS HD2 H 1 7.149 0.001 . . . . . . 9 HIS HD2 . 6730 1 64 . 1 1 9 9 HIS HE1 H 1 8.209 0.005 . . . . . . 9 HIS HE1 . 6730 1 65 . 1 1 9 9 HIS C C 13 130.178 0.000 . . . . . . 9 HIS C . 6730 1 66 . 1 1 9 9 HIS CA C 13 54.765 0.087 . . . . . . 9 HIS CA . 6730 1 67 . 1 1 9 9 HIS CB C 13 30.042 0.062 . . . . . . 9 HIS CB . 6730 1 68 . 1 1 9 9 HIS CD2 C 13 44.338 0.000 . . . . . . 9 HIS CD2 . 6730 1 69 . 1 1 9 9 HIS CE1 C 13 61.475 0.000 . . . . . . 9 HIS CE1 . 6730 1 70 . 1 1 9 9 HIS N N 15 117.830 0.124 . . . . . . 9 HIS N . 6730 1 71 . 1 1 10 10 VAL H H 1 8.176 0.006 . . . . . . 10 VAL H . 6730 1 72 . 1 1 10 10 VAL HA H 1 4.332 0.005 . . . . . . 10 VAL HA . 6730 1 73 . 1 1 10 10 VAL HB H 1 1.801 0.011 . . . . . . 10 VAL HB . 6730 1 74 . 1 1 10 10 VAL HG11 H 1 0.750 0.005 . . . . . . 10 VAL HG1 . 6730 1 75 . 1 1 10 10 VAL HG12 H 1 0.750 0.005 . . . . . . 10 VAL HG1 . 6730 1 76 . 1 1 10 10 VAL HG13 H 1 0.750 0.005 . . . . . . 10 VAL HG1 . 6730 1 77 . 1 1 10 10 VAL HG21 H 1 0.358 0.011 . . . . . . 10 VAL HG2 . 6730 1 78 . 1 1 10 10 VAL HG22 H 1 0.358 0.011 . . . . . . 10 VAL HG2 . 6730 1 79 . 1 1 10 10 VAL HG23 H 1 0.358 0.011 . . . . . . 10 VAL HG2 . 6730 1 80 . 1 1 10 10 VAL C C 13 131.529 0.000 . . . . . . 10 VAL C . 6730 1 81 . 1 1 10 10 VAL CA C 13 62.072 0.048 . . . . . . 10 VAL CA . 6730 1 82 . 1 1 10 10 VAL CB C 13 32.121 0.034 . . . . . . 10 VAL CB . 6730 1 83 . 1 1 10 10 VAL CG1 C 13 21.316 0.000 . . . . . . 10 VAL CG1 . 6730 1 84 . 1 1 10 10 VAL CG2 C 13 21.884 0.000 . . . . . . 10 VAL CG2 . 6730 1 85 . 1 1 10 10 VAL N N 15 123.897 0.039 . . . . . . 10 VAL N . 6730 1 86 . 1 1 11 11 THR H H 1 7.963 0.004 . . . . . . 11 THR H . 6730 1 87 . 1 1 11 11 THR HA H 1 5.040 0.000 . . . . . . 11 THR HA . 6730 1 88 . 1 1 11 11 THR HB H 1 4.390 0.009 . . . . . . 11 THR HB . 6730 1 89 . 1 1 11 11 THR HG21 H 1 1.284 0.000 . . . . . . 11 THR HG2 . 6730 1 90 . 1 1 11 11 THR HG22 H 1 1.284 0.000 . . . . . . 11 THR HG2 . 6730 1 91 . 1 1 11 11 THR HG23 H 1 1.284 0.000 . . . . . . 11 THR HG2 . 6730 1 92 . 1 1 11 11 THR C C 13 128.373 0.000 . . . . . . 11 THR C . 6730 1 93 . 1 1 11 11 THR CA C 13 58.858 0.020 . . . . . . 11 THR CA . 6730 1 94 . 1 1 11 11 THR CB C 13 72.158 0.061 . . . . . . 11 THR CB . 6730 1 95 . 1 1 11 11 THR CG2 C 13 21.881 0.000 . . . . . . 11 THR CG2 . 6730 1 96 . 1 1 11 11 THR N N 15 116.102 0.031 . . . . . . 11 THR N . 6730 1 97 . 1 1 12 12 ALA H H 1 8.972 0.004 . . . . . . 12 ALA H . 6730 1 98 . 1 1 12 12 ALA HA H 1 5.659 0.004 . . . . . . 12 ALA HA . 6730 1 99 . 1 1 12 12 ALA HB1 H 1 1.289 0.006 . . . . . . 12 ALA HB . 6730 1 100 . 1 1 12 12 ALA HB2 H 1 1.289 0.006 . . . . . . 12 ALA HB . 6730 1 101 . 1 1 12 12 ALA HB3 H 1 1.289 0.006 . . . . . . 12 ALA HB . 6730 1 102 . 1 1 12 12 ALA C C 13 131.425 0.000 . . . . . . 12 ALA C . 6730 1 103 . 1 1 12 12 ALA CA C 13 49.690 0.048 . . . . . . 12 ALA CA . 6730 1 104 . 1 1 12 12 ALA CB C 13 22.048 0.090 . . . . . . 12 ALA CB . 6730 1 105 . 1 1 12 12 ALA N N 15 123.693 0.029 . . . . . . 12 ALA N . 6730 1 106 . 1 1 13 13 TYR H H 1 8.729 0.004 . . . . . . 13 TYR H . 6730 1 107 . 1 1 13 13 TYR HA H 1 4.828 0.000 . . . . . . 13 TYR HA . 6730 1 108 . 1 1 13 13 TYR HB2 H 1 3.289 0.000 . . . . . . 13 TYR HB2 . 6730 1 109 . 1 1 13 13 TYR HB3 H 1 2.995 0.004 . . . . . . 13 TYR HB3 . 6730 1 110 . 1 1 13 13 TYR HD1 H 1 6.910 0.003 . . . . . . 13 TYR HD1 . 6730 1 111 . 1 1 13 13 TYR HE1 H 1 6.820 0.002 . . . . . . 13 TYR HE1 . 6730 1 112 . 1 1 13 13 TYR C C 13 129.677 0.000 . . . . . . 13 TYR C . 6730 1 113 . 1 1 13 13 TYR CA C 13 55.557 0.029 . . . . . . 13 TYR CA . 6730 1 114 . 1 1 13 13 TYR CB C 13 38.324 0.037 . . . . . . 13 TYR CB . 6730 1 115 . 1 1 13 13 TYR CD1 C 13 58.343 0.000 . . . . . . 13 TYR CD1 . 6730 1 116 . 1 1 13 13 TYR CE1 C 13 41.427 0.000 . . . . . . 13 TYR CE1 . 6730 1 117 . 1 1 13 13 TYR N N 15 117.825 0.028 . . . . . . 13 TYR N . 6730 1 118 . 1 1 14 14 GLY H H 1 8.838 0.004 . . . . . . 14 GLY H . 6730 1 119 . 1 1 14 14 GLY HA2 H 1 5.130 0.000 . . . . . . 14 GLY HA2 . 6730 1 120 . 1 1 14 14 GLY HA3 H 1 4.220 0.000 . . . . . . 14 GLY HA3 . 6730 1 121 . 1 1 14 14 GLY CA C 13 44.126 0.013 . . . . . . 14 GLY CA . 6730 1 122 . 1 1 14 14 GLY N N 15 110.401 0.032 . . . . . . 14 GLY N . 6730 1 123 . 1 1 15 15 PRO HA H 1 4.486 0.006 . . . . . . 15 PRO HA . 6730 1 124 . 1 1 15 15 PRO HB2 H 1 2.478 0.005 . . . . . . 15 PRO HB2 . 6730 1 125 . 1 1 15 15 PRO HB3 H 1 2.251 0.002 . . . . . . 15 PRO HB3 . 6730 1 126 . 1 1 15 15 PRO HG2 H 1 2.474 0.000 . . . . . . 15 PRO HG2 . 6730 1 127 . 1 1 15 15 PRO HG3 H 1 2.211 0.004 . . . . . . 15 PRO HG3 . 6730 1 128 . 1 1 15 15 PRO HD2 H 1 3.933 0.000 . . . . . . 15 PRO HD2 . 6730 1 129 . 1 1 15 15 PRO HD3 H 1 3.709 0.000 . . . . . . 15 PRO HD3 . 6730 1 130 . 1 1 15 15 PRO C C 13 134.629 0.000 . . . . . . 15 PRO C . 6730 1 131 . 1 1 15 15 PRO CA C 13 64.909 0.013 . . . . . . 15 PRO CA . 6730 1 132 . 1 1 15 15 PRO CB C 13 30.973 0.056 . . . . . . 15 PRO CB . 6730 1 133 . 1 1 15 15 PRO CG C 13 26.764 0.103 . . . . . . 15 PRO CG . 6730 1 134 . 1 1 15 15 PRO CD C 13 49.440 0.019 . . . . . . 15 PRO CD . 6730 1 135 . 1 1 16 16 GLY H H 1 9.116 0.004 . . . . . . 16 GLY H . 6730 1 136 . 1 1 16 16 GLY HA2 H 1 4.616 0.000 . . . . . . 16 GLY HA2 . 6730 1 137 . 1 1 16 16 GLY HA3 H 1 3.436 0.000 . . . . . . 16 GLY HA3 . 6730 1 138 . 1 1 16 16 GLY C C 13 128.969 0.000 . . . . . . 16 GLY C . 6730 1 139 . 1 1 16 16 GLY CA C 13 45.370 0.050 . . . . . . 16 GLY CA . 6730 1 140 . 1 1 16 16 GLY N N 15 103.717 0.034 . . . . . . 16 GLY N . 6730 1 141 . 1 1 17 17 LEU H H 1 7.130 0.004 . . . . . . 17 LEU H . 6730 1 142 . 1 1 17 17 LEU HA H 1 3.856 0.005 . . . . . . 17 LEU HA . 6730 1 143 . 1 1 17 17 LEU HB2 H 1 1.478 0.021 . . . . . . 17 LEU HB2 . 6730 1 144 . 1 1 17 17 LEU HB3 H 1 0.991 0.008 . . . . . . 17 LEU HB3 . 6730 1 145 . 1 1 17 17 LEU HG H 1 0.584 0.003 . . . . . . 17 LEU HG . 6730 1 146 . 1 1 17 17 LEU HD11 H 1 -0.097 0.005 . . . . . . 17 LEU HD1 . 6730 1 147 . 1 1 17 17 LEU HD12 H 1 -0.097 0.005 . . . . . . 17 LEU HD1 . 6730 1 148 . 1 1 17 17 LEU HD13 H 1 -0.097 0.005 . . . . . . 17 LEU HD1 . 6730 1 149 . 1 1 17 17 LEU HD21 H 1 -1.088 0.016 . . . . . . 17 LEU HD2 . 6730 1 150 . 1 1 17 17 LEU HD22 H 1 -1.088 0.016 . . . . . . 17 LEU HD2 . 6730 1 151 . 1 1 17 17 LEU HD23 H 1 -1.088 0.016 . . . . . . 17 LEU HD2 . 6730 1 152 . 1 1 17 17 LEU C C 13 132.276 0.000 . . . . . . 17 LEU C . 6730 1 153 . 1 1 17 17 LEU CA C 13 55.032 0.046 . . . . . . 17 LEU CA . 6730 1 154 . 1 1 17 17 LEU CB C 13 40.658 0.054 . . . . . . 17 LEU CB . 6730 1 155 . 1 1 17 17 LEU CG C 13 25.372 0.000 . . . . . . 17 LEU CG . 6730 1 156 . 1 1 17 17 LEU CD1 C 13 22.976 0.039 . . . . . . 17 LEU CD1 . 6730 1 157 . 1 1 17 17 LEU CD2 C 13 18.469 0.039 . . . . . . 17 LEU CD2 . 6730 1 158 . 1 1 17 17 LEU N N 15 116.196 0.030 . . . . . . 17 LEU N . 6730 1 159 . 1 1 18 18 THR H H 1 7.646 0.004 . . . . . . 18 THR H . 6730 1 160 . 1 1 18 18 THR HA H 1 5.073 0.004 . . . . . . 18 THR HA . 6730 1 161 . 1 1 18 18 THR HB H 1 4.386 0.005 . . . . . . 18 THR HB . 6730 1 162 . 1 1 18 18 THR HG21 H 1 1.360 0.003 . . . . . . 18 THR HG2 . 6730 1 163 . 1 1 18 18 THR HG22 H 1 1.360 0.003 . . . . . . 18 THR HG2 . 6730 1 164 . 1 1 18 18 THR HG23 H 1 1.360 0.003 . . . . . . 18 THR HG2 . 6730 1 165 . 1 1 18 18 THR C C 13 132.591 0.000 . . . . . . 18 THR C . 6730 1 166 . 1 1 18 18 THR CA C 13 61.362 0.058 . . . . . . 18 THR CA . 6730 1 167 . 1 1 18 18 THR CB C 13 71.230 0.055 . . . . . . 18 THR CB . 6730 1 168 . 1 1 18 18 THR CG2 C 13 21.596 0.067 . . . . . . 18 THR CG2 . 6730 1 169 . 1 1 18 18 THR N N 15 132.874 0.066 . . . . . . 18 THR N . 6730 1 170 . 1 1 19 19 HIS H H 1 8.607 0.004 . . . . . . 19 HIS H . 6730 1 171 . 1 1 19 19 HIS HA H 1 5.691 0.008 . . . . . . 19 HIS HA . 6730 1 172 . 1 1 19 19 HIS HB2 H 1 3.414 0.000 . . . . . . 19 HIS HB2 . 6730 1 173 . 1 1 19 19 HIS HB3 H 1 3.299 0.000 . . . . . . 19 HIS HB3 . 6730 1 174 . 1 1 19 19 HIS HD2 H 1 7.359 0.000 . . . . . . 19 HIS HD2 . 6730 1 175 . 1 1 19 19 HIS HE1 H 1 8.385 0.005 . . . . . . 19 HIS HE1 . 6730 1 176 . 1 1 19 19 HIS C C 13 128.457 0.000 . . . . . . 19 HIS C . 6730 1 177 . 1 1 19 19 HIS CA C 13 55.040 0.044 . . . . . . 19 HIS CA . 6730 1 178 . 1 1 19 19 HIS CB C 13 31.814 0.086 . . . . . . 19 HIS CB . 6730 1 179 . 1 1 19 19 HIS CD2 C 13 44.866 0.000 . . . . . . 19 HIS CD2 . 6730 1 180 . 1 1 19 19 HIS CE1 C 13 61.167 0.000 . . . . . . 19 HIS CE1 . 6730 1 181 . 1 1 19 19 HIS N N 15 122.208 0.046 . . . . . . 19 HIS N . 6730 1 182 . 1 1 20 20 GLY H H 1 7.888 0.005 . . . . . . 20 GLY H . 6730 1 183 . 1 1 20 20 GLY HA2 H 1 4.299 0.007 . . . . . . 20 GLY HA2 . 6730 1 184 . 1 1 20 20 GLY HA3 H 1 3.696 0.001 . . . . . . 20 GLY HA3 . 6730 1 185 . 1 1 20 20 GLY C C 13 126.478 0.000 . . . . . . 20 GLY C . 6730 1 186 . 1 1 20 20 GLY CA C 13 43.939 0.025 . . . . . . 20 GLY CA . 6730 1 187 . 1 1 20 20 GLY N N 15 106.748 0.035 . . . . . . 20 GLY N . 6730 1 188 . 1 1 21 21 VAL H H 1 9.485 0.003 . . . . . . 21 VAL H . 6730 1 189 . 1 1 21 21 VAL HA H 1 4.848 0.000 . . . . . . 21 VAL HA . 6730 1 190 . 1 1 21 21 VAL HB H 1 1.719 0.015 . . . . . . 21 VAL HB . 6730 1 191 . 1 1 21 21 VAL HG11 H 1 0.952 0.000 . . . . . . 21 VAL HG1 . 6730 1 192 . 1 1 21 21 VAL HG12 H 1 0.952 0.000 . . . . . . 21 VAL HG1 . 6730 1 193 . 1 1 21 21 VAL HG13 H 1 0.952 0.000 . . . . . . 21 VAL HG1 . 6730 1 194 . 1 1 21 21 VAL HG21 H 1 1.380 0.000 . . . . . . 21 VAL HG2 . 6730 1 195 . 1 1 21 21 VAL HG22 H 1 1.380 0.000 . . . . . . 21 VAL HG2 . 6730 1 196 . 1 1 21 21 VAL HG23 H 1 1.380 0.000 . . . . . . 21 VAL HG2 . 6730 1 197 . 1 1 21 21 VAL C C 13 130.751 0.000 . . . . . . 21 VAL C . 6730 1 198 . 1 1 21 21 VAL CA C 13 60.004 0.046 . . . . . . 21 VAL CA . 6730 1 199 . 1 1 21 21 VAL CB C 13 34.820 0.058 . . . . . . 21 VAL CB . 6730 1 200 . 1 1 21 21 VAL CG1 C 13 20.475 0.000 . . . . . . 21 VAL CG1 . 6730 1 201 . 1 1 21 21 VAL N N 15 122.561 0.047 . . . . . . 21 VAL N . 6730 1 202 . 1 1 22 22 VAL H H 1 7.909 0.003 . . . . . . 22 VAL H . 6730 1 203 . 1 1 22 22 VAL HA H 1 3.388 0.006 . . . . . . 22 VAL HA . 6730 1 204 . 1 1 22 22 VAL HB H 1 1.842 0.004 . . . . . . 22 VAL HB . 6730 1 205 . 1 1 22 22 VAL HG11 H 1 0.822 0.000 . . . . . . 22 VAL HG1 . 6730 1 206 . 1 1 22 22 VAL HG12 H 1 0.822 0.000 . . . . . . 22 VAL HG1 . 6730 1 207 . 1 1 22 22 VAL HG13 H 1 0.822 0.000 . . . . . . 22 VAL HG1 . 6730 1 208 . 1 1 22 22 VAL HG21 H 1 0.910 0.000 . . . . . . 22 VAL HG2 . 6730 1 209 . 1 1 22 22 VAL HG22 H 1 0.910 0.000 . . . . . . 22 VAL HG2 . 6730 1 210 . 1 1 22 22 VAL HG23 H 1 0.910 0.000 . . . . . . 22 VAL HG2 . 6730 1 211 . 1 1 22 22 VAL C C 13 131.077 0.000 . . . . . . 22 VAL C . 6730 1 212 . 1 1 22 22 VAL CA C 13 63.014 0.019 . . . . . . 22 VAL CA . 6730 1 213 . 1 1 22 22 VAL CB C 13 31.500 0.053 . . . . . . 22 VAL CB . 6730 1 214 . 1 1 22 22 VAL CG1 C 13 20.652 0.000 . . . . . . 22 VAL CG1 . 6730 1 215 . 1 1 22 22 VAL CG2 C 13 21.420 0.000 . . . . . . 22 VAL CG2 . 6730 1 216 . 1 1 22 22 VAL N N 15 121.658 0.037 . . . . . . 22 VAL N . 6730 1 217 . 1 1 23 23 ASN H H 1 8.950 0.003 . . . . . . 23 ASN H . 6730 1 218 . 1 1 23 23 ASN HA H 1 4.115 0.001 . . . . . . 23 ASN HA . 6730 1 219 . 1 1 23 23 ASN HB2 H 1 3.097 0.000 . . . . . . 23 ASN HB2 . 6730 1 220 . 1 1 23 23 ASN HB3 H 1 3.069 0.000 . . . . . . 23 ASN HB3 . 6730 1 221 . 1 1 23 23 ASN HD21 H 1 7.705 0.000 . . . . . . 23 ASN HD21 . 6730 1 222 . 1 1 23 23 ASN HD22 H 1 6.868 0.000 . . . . . . 23 ASN HD22 . 6730 1 223 . 1 1 23 23 ASN C C 13 129.584 0.000 . . . . . . 23 ASN C . 6730 1 224 . 1 1 23 23 ASN CA C 13 54.629 0.052 . . . . . . 23 ASN CA . 6730 1 225 . 1 1 23 23 ASN CB C 13 36.584 0.037 . . . . . . 23 ASN CB . 6730 1 226 . 1 1 23 23 ASN N N 15 114.382 0.027 . . . . . . 23 ASN N . 6730 1 227 . 1 1 23 23 ASN ND2 N 15 113.558 0.005 . . . . . . 23 ASN ND2 . 6730 1 228 . 1 1 24 24 LYS H H 1 8.159 0.004 . . . . . . 24 LYS H . 6730 1 229 . 1 1 24 24 LYS HA H 1 4.850 0.004 . . . . . . 24 LYS HA . 6730 1 230 . 1 1 24 24 LYS HB2 H 1 1.716 0.004 . . . . . . 24 LYS HB2 . 6730 1 231 . 1 1 24 24 LYS HB3 H 1 1.679 0.000 . . . . . . 24 LYS HB3 . 6730 1 232 . 1 1 24 24 LYS HG2 H 1 1.407 0.002 . . . . . . 24 LYS HG2 . 6730 1 233 . 1 1 24 24 LYS HG3 H 1 1.336 0.003 . . . . . . 24 LYS HG3 . 6730 1 234 . 1 1 24 24 LYS HD2 H 1 1.698 0.000 . . . . . . 24 LYS HD2 . 6730 1 235 . 1 1 24 24 LYS HD3 H 1 1.578 0.000 . . . . . . 24 LYS HD3 . 6730 1 236 . 1 1 24 24 LYS HE2 H 1 3.014 0.000 . . . . . . 24 LYS HE2 . 6730 1 237 . 1 1 24 24 LYS HE3 H 1 2.991 0.000 . . . . . . 24 LYS HE3 . 6730 1 238 . 1 1 24 24 LYS CA C 13 52.430 0.109 . . . . . . 24 LYS CA . 6730 1 239 . 1 1 24 24 LYS CB C 13 33.275 0.047 . . . . . . 24 LYS CB . 6730 1 240 . 1 1 24 24 LYS CG C 13 24.280 0.017 . . . . . . 24 LYS CG . 6730 1 241 . 1 1 24 24 LYS CD C 13 28.412 0.001 . . . . . . 24 LYS CD . 6730 1 242 . 1 1 24 24 LYS CE C 13 41.754 0.000 . . . . . . 24 LYS CE . 6730 1 243 . 1 1 24 24 LYS N N 15 120.427 0.046 . . . . . . 24 LYS N . 6730 1 244 . 1 1 25 25 PRO HA H 1 4.396 0.009 . . . . . . 25 PRO HA . 6730 1 245 . 1 1 25 25 PRO HB2 H 1 2.037 0.003 . . . . . . 25 PRO HB2 . 6730 1 246 . 1 1 25 25 PRO HB3 H 1 1.675 0.002 . . . . . . 25 PRO HB3 . 6730 1 247 . 1 1 25 25 PRO HG2 H 1 2.076 0.000 . . . . . . 25 PRO HG2 . 6730 1 248 . 1 1 25 25 PRO HG3 H 1 1.898 0.000 . . . . . . 25 PRO HG3 . 6730 1 249 . 1 1 25 25 PRO HD2 H 1 3.701 0.000 . . . . . . 25 PRO HD2 . 6730 1 250 . 1 1 25 25 PRO HD3 H 1 3.600 0.000 . . . . . . 25 PRO HD3 . 6730 1 251 . 1 1 25 25 PRO C C 13 132.088 0.000 . . . . . . 25 PRO C . 6730 1 252 . 1 1 25 25 PRO CA C 13 62.382 0.039 . . . . . . 25 PRO CA . 6730 1 253 . 1 1 25 25 PRO CB C 13 30.844 0.084 . . . . . . 25 PRO CB . 6730 1 254 . 1 1 25 25 PRO CG C 13 27.063 0.034 . . . . . . 25 PRO CG . 6730 1 255 . 1 1 25 25 PRO CD C 13 49.465 0.062 . . . . . . 25 PRO CD . 6730 1 256 . 1 1 26 26 ALA H H 1 8.945 0.004 . . . . . . 26 ALA H . 6730 1 257 . 1 1 26 26 ALA HA H 1 4.780 0.006 . . . . . . 26 ALA HA . 6730 1 258 . 1 1 26 26 ALA HB1 H 1 0.680 0.004 . . . . . . 26 ALA HB . 6730 1 259 . 1 1 26 26 ALA HB2 H 1 0.680 0.004 . . . . . . 26 ALA HB . 6730 1 260 . 1 1 26 26 ALA HB3 H 1 0.680 0.004 . . . . . . 26 ALA HB . 6730 1 261 . 1 1 26 26 ALA C C 13 133.014 0.000 . . . . . . 26 ALA C . 6730 1 262 . 1 1 26 26 ALA CA C 13 49.919 0.043 . . . . . . 26 ALA CA . 6730 1 263 . 1 1 26 26 ALA CB C 13 18.643 0.087 . . . . . . 26 ALA CB . 6730 1 264 . 1 1 26 26 ALA N N 15 131.649 0.041 . . . . . . 26 ALA N . 6730 1 265 . 1 1 27 27 THR H H 1 8.338 0.004 . . . . . . 27 THR H . 6730 1 266 . 1 1 27 27 THR HA H 1 5.683 0.010 . . . . . . 27 THR HA . 6730 1 267 . 1 1 27 27 THR HB H 1 4.199 0.009 . . . . . . 27 THR HB . 6730 1 268 . 1 1 27 27 THR HG21 H 1 1.077 0.000 . . . . . . 27 THR HG2 . 6730 1 269 . 1 1 27 27 THR HG22 H 1 1.077 0.000 . . . . . . 27 THR HG2 . 6730 1 270 . 1 1 27 27 THR HG23 H 1 1.077 0.000 . . . . . . 27 THR HG2 . 6730 1 271 . 1 1 27 27 THR C C 13 130.380 0.000 . . . . . . 27 THR C . 6730 1 272 . 1 1 27 27 THR CA C 13 59.449 0.020 . . . . . . 27 THR CA . 6730 1 273 . 1 1 27 27 THR CB C 13 71.523 0.046 . . . . . . 27 THR CB . 6730 1 274 . 1 1 27 27 THR CG2 C 13 20.134 0.000 . . . . . . 27 THR CG2 . 6730 1 275 . 1 1 27 27 THR N N 15 111.390 0.031 . . . . . . 27 THR N . 6730 1 276 . 1 1 28 28 PHE H H 1 8.946 0.004 . . . . . . 28 PHE H . 6730 1 277 . 1 1 28 28 PHE HA H 1 5.069 0.000 . . . . . . 28 PHE HA . 6730 1 278 . 1 1 28 28 PHE HB2 H 1 2.893 0.000 . . . . . . 28 PHE HB2 . 6730 1 279 . 1 1 28 28 PHE HD1 H 1 6.681 0.001 . . . . . . 28 PHE HD1 . 6730 1 280 . 1 1 28 28 PHE HE1 H 1 6.776 0.001 . . . . . . 28 PHE HE1 . 6730 1 281 . 1 1 28 28 PHE HZ H 1 6.849 0.005 . . . . . . 28 PHE HZ . 6730 1 282 . 1 1 28 28 PHE C C 13 127.647 0.000 . . . . . . 28 PHE C . 6730 1 283 . 1 1 28 28 PHE CA C 13 56.443 0.028 . . . . . . 28 PHE CA . 6730 1 284 . 1 1 28 28 PHE CB C 13 39.007 0.021 . . . . . . 28 PHE CB . 6730 1 285 . 1 1 28 28 PHE CD1 C 13 56.584 0.000 . . . . . . 28 PHE CD1 . 6730 1 286 . 1 1 28 28 PHE CE1 C 13 53.572 0.000 . . . . . . 28 PHE CE1 . 6730 1 287 . 1 1 28 28 PHE CZ C 13 54.136 0.000 . . . . . . 28 PHE CZ . 6730 1 288 . 1 1 28 28 PHE N N 15 116.740 0.030 . . . . . . 28 PHE N . 6730 1 289 . 1 1 29 29 THR H H 1 9.337 0.005 . . . . . . 29 THR H . 6730 1 290 . 1 1 29 29 THR HA H 1 5.120 0.000 . . . . . . 29 THR HA . 6730 1 291 . 1 1 29 29 THR HB H 1 3.189 0.010 . . . . . . 29 THR HB . 6730 1 292 . 1 1 29 29 THR HG21 H 1 1.148 0.000 . . . . . . 29 THR HG2 . 6730 1 293 . 1 1 29 29 THR HG22 H 1 1.148 0.000 . . . . . . 29 THR HG2 . 6730 1 294 . 1 1 29 29 THR HG23 H 1 1.148 0.000 . . . . . . 29 THR HG2 . 6730 1 295 . 1 1 29 29 THR C C 13 128.938 0.000 . . . . . . 29 THR C . 6730 1 296 . 1 1 29 29 THR CA C 13 61.169 0.028 . . . . . . 29 THR CA . 6730 1 297 . 1 1 29 29 THR CB C 13 70.778 0.051 . . . . . . 29 THR CB . 6730 1 298 . 1 1 29 29 THR CG2 C 13 21.268 0.000 . . . . . . 29 THR CG2 . 6730 1 299 . 1 1 29 29 THR N N 15 118.228 0.037 . . . . . . 29 THR N . 6730 1 300 . 1 1 30 30 VAL H H 1 8.903 0.004 . . . . . . 30 VAL H . 6730 1 301 . 1 1 30 30 VAL HA H 1 4.860 0.000 . . . . . . 30 VAL HA . 6730 1 302 . 1 1 30 30 VAL HB H 1 1.919 0.012 . . . . . . 30 VAL HB . 6730 1 303 . 1 1 30 30 VAL HG11 H 1 1.037 0.000 . . . . . . 30 VAL HG1 . 6730 1 304 . 1 1 30 30 VAL HG12 H 1 1.037 0.000 . . . . . . 30 VAL HG1 . 6730 1 305 . 1 1 30 30 VAL HG13 H 1 1.037 0.000 . . . . . . 30 VAL HG1 . 6730 1 306 . 1 1 30 30 VAL HG21 H 1 0.912 0.000 . . . . . . 30 VAL HG2 . 6730 1 307 . 1 1 30 30 VAL HG22 H 1 0.912 0.000 . . . . . . 30 VAL HG2 . 6730 1 308 . 1 1 30 30 VAL HG23 H 1 0.912 0.000 . . . . . . 30 VAL HG2 . 6730 1 309 . 1 1 30 30 VAL C C 13 130.506 0.000 . . . . . . 30 VAL C . 6730 1 310 . 1 1 30 30 VAL CA C 13 60.273 0.032 . . . . . . 30 VAL CA . 6730 1 311 . 1 1 30 30 VAL CB C 13 33.420 0.028 . . . . . . 30 VAL CB . 6730 1 312 . 1 1 30 30 VAL CG1 C 13 21.281 0.000 . . . . . . 30 VAL CG1 . 6730 1 313 . 1 1 30 30 VAL CG2 C 13 21.480 0.000 . . . . . . 30 VAL CG2 . 6730 1 314 . 1 1 30 30 VAL N N 15 123.441 0.039 . . . . . . 30 VAL N . 6730 1 315 . 1 1 31 31 ASN H H 1 9.494 0.004 . . . . . . 31 ASN H . 6730 1 316 . 1 1 31 31 ASN HA H 1 5.232 0.005 . . . . . . 31 ASN HA . 6730 1 317 . 1 1 31 31 ASN HB2 H 1 3.557 0.007 . . . . . . 31 ASN HB2 . 6730 1 318 . 1 1 31 31 ASN HB3 H 1 2.833 0.001 . . . . . . 31 ASN HB3 . 6730 1 319 . 1 1 31 31 ASN HD21 H 1 7.459 0.000 . . . . . . 31 ASN HD21 . 6730 1 320 . 1 1 31 31 ASN HD22 H 1 6.870 0.000 . . . . . . 31 ASN HD22 . 6730 1 321 . 1 1 31 31 ASN C C 13 131.295 0.000 . . . . . . 31 ASN C . 6730 1 322 . 1 1 31 31 ASN CA C 13 51.830 0.074 . . . . . . 31 ASN CA . 6730 1 323 . 1 1 31 31 ASN CB C 13 39.031 0.047 . . . . . . 31 ASN CB . 6730 1 324 . 1 1 31 31 ASN N N 15 127.472 0.054 . . . . . . 31 ASN N . 6730 1 325 . 1 1 31 31 ASN ND2 N 15 111.251 0.001 . . . . . . 31 ASN ND2 . 6730 1 326 . 1 1 32 32 THR H H 1 8.764 0.010 . . . . . . 32 THR H . 6730 1 327 . 1 1 32 32 THR HA H 1 4.330 0.000 . . . . . . 32 THR HA . 6730 1 328 . 1 1 32 32 THR HB H 1 4.415 0.030 . . . . . . 32 THR HB . 6730 1 329 . 1 1 32 32 THR HG21 H 1 1.049 0.000 . . . . . . 32 THR HG2 . 6730 1 330 . 1 1 32 32 THR HG22 H 1 1.049 0.000 . . . . . . 32 THR HG2 . 6730 1 331 . 1 1 32 32 THR HG23 H 1 1.049 0.000 . . . . . . 32 THR HG2 . 6730 1 332 . 1 1 32 32 THR C C 13 131.323 0.000 . . . . . . 32 THR C . 6730 1 333 . 1 1 32 32 THR CA C 13 60.050 0.075 . . . . . . 32 THR CA . 6730 1 334 . 1 1 32 32 THR CB C 13 67.703 0.066 . . . . . . 32 THR CB . 6730 1 335 . 1 1 32 32 THR CG2 C 13 21.200 0.000 . . . . . . 32 THR CG2 . 6730 1 336 . 1 1 32 32 THR N N 15 115.586 0.044 . . . . . . 32 THR N . 6730 1 337 . 1 1 33 33 LYS H H 1 8.232 0.004 . . . . . . 33 LYS H . 6730 1 338 . 1 1 33 33 LYS HA H 1 4.058 0.012 . . . . . . 33 LYS HA . 6730 1 339 . 1 1 33 33 LYS HB2 H 1 1.962 0.000 . . . . . . 33 LYS HB2 . 6730 1 340 . 1 1 33 33 LYS HB3 H 1 1.931 0.000 . . . . . . 33 LYS HB3 . 6730 1 341 . 1 1 33 33 LYS HG2 H 1 1.557 0.009 . . . . . . 33 LYS HG2 . 6730 1 342 . 1 1 33 33 LYS HD2 H 1 1.764 0.000 . . . . . . 33 LYS HD2 . 6730 1 343 . 1 1 33 33 LYS HE2 H 1 3.089 0.000 . . . . . . 33 LYS HE2 . 6730 1 344 . 1 1 33 33 LYS HE3 H 1 3.054 0.000 . . . . . . 33 LYS HE3 . 6730 1 345 . 1 1 33 33 LYS C C 13 133.376 0.000 . . . . . . 33 LYS C . 6730 1 346 . 1 1 33 33 LYS CA C 13 58.720 0.058 . . . . . . 33 LYS CA . 6730 1 347 . 1 1 33 33 LYS CB C 13 32.276 0.043 . . . . . . 33 LYS CB . 6730 1 348 . 1 1 33 33 LYS CG C 13 24.231 0.043 . . . . . . 33 LYS CG . 6730 1 349 . 1 1 33 33 LYS CD C 13 28.706 0.005 . . . . . . 33 LYS CD . 6730 1 350 . 1 1 33 33 LYS CE C 13 41.567 0.013 . . . . . . 33 LYS CE . 6730 1 351 . 1 1 33 33 LYS N N 15 125.103 0.034 . . . . . . 33 LYS N . 6730 1 352 . 1 1 34 34 ASP H H 1 8.882 0.009 . . . . . . 34 ASP H . 6730 1 353 . 1 1 34 34 ASP HA H 1 4.758 0.000 . . . . . . 34 ASP HA . 6730 1 354 . 1 1 34 34 ASP HB2 H 1 2.903 0.008 . . . . . . 34 ASP HB2 . 6730 1 355 . 1 1 34 34 ASP HB3 H 1 2.548 0.002 . . . . . . 34 ASP HB3 . 6730 1 356 . 1 1 34 34 ASP C C 13 131.688 0.000 . . . . . . 34 ASP C . 6730 1 357 . 1 1 34 34 ASP CA C 13 53.929 0.056 . . . . . . 34 ASP CA . 6730 1 358 . 1 1 34 34 ASP CB C 13 40.037 0.054 . . . . . . 34 ASP CB . 6730 1 359 . 1 1 34 34 ASP N N 15 118.464 0.040 . . . . . . 34 ASP N . 6730 1 360 . 1 1 35 35 ALA H H 1 7.718 0.010 . . . . . . 35 ALA H . 6730 1 361 . 1 1 35 35 ALA HA H 1 4.109 0.008 . . . . . . 35 ALA HA . 6730 1 362 . 1 1 35 35 ALA HB1 H 1 1.042 0.000 . . . . . . 35 ALA HB . 6730 1 363 . 1 1 35 35 ALA HB2 H 1 1.042 0.000 . . . . . . 35 ALA HB . 6730 1 364 . 1 1 35 35 ALA HB3 H 1 1.042 0.000 . . . . . . 35 ALA HB . 6730 1 365 . 1 1 35 35 ALA C C 13 134.108 0.000 . . . . . . 35 ALA C . 6730 1 366 . 1 1 35 35 ALA CA C 13 52.098 0.035 . . . . . . 35 ALA CA . 6730 1 367 . 1 1 35 35 ALA CB C 13 19.722 0.098 . . . . . . 35 ALA CB . 6730 1 368 . 1 1 35 35 ALA N N 15 121.890 0.073 . . . . . . 35 ALA N . 6730 1 369 . 1 1 36 36 GLY H H 1 8.326 0.018 . . . . . . 36 GLY H . 6730 1 370 . 1 1 36 36 GLY HA2 H 1 4.164 0.000 . . . . . . 36 GLY HA2 . 6730 1 371 . 1 1 36 36 GLY HA3 H 1 4.028 0.000 . . . . . . 36 GLY HA3 . 6730 1 372 . 1 1 36 36 GLY C C 13 129.997 0.000 . . . . . . 36 GLY C . 6730 1 373 . 1 1 36 36 GLY CA C 13 43.913 0.029 . . . . . . 36 GLY CA . 6730 1 374 . 1 1 36 36 GLY N N 15 107.540 0.028 . . . . . . 36 GLY N . 6730 1 375 . 1 1 37 37 GLU H H 1 8.712 0.009 . . . . . . 37 GLU H . 6730 1 376 . 1 1 37 37 GLU HA H 1 4.371 0.008 . . . . . . 37 GLU HA . 6730 1 377 . 1 1 37 37 GLU HB2 H 1 2.087 0.000 . . . . . . 37 GLU HB2 . 6730 1 378 . 1 1 37 37 GLU HB3 H 1 2.039 0.000 . . . . . . 37 GLU HB3 . 6730 1 379 . 1 1 37 37 GLU HG2 H 1 2.340 0.003 . . . . . . 37 GLU HG2 . 6730 1 380 . 1 1 37 37 GLU C C 13 132.590 0.000 . . . . . . 37 GLU C . 6730 1 381 . 1 1 37 37 GLU CA C 13 56.416 0.046 . . . . . . 37 GLU CA . 6730 1 382 . 1 1 37 37 GLU CB C 13 29.737 0.049 . . . . . . 37 GLU CB . 6730 1 383 . 1 1 37 37 GLU CG C 13 35.495 0.053 . . . . . . 37 GLU CG . 6730 1 384 . 1 1 37 37 GLU N N 15 122.466 0.032 . . . . . . 37 GLU N . 6730 1 385 . 1 1 38 38 GLY H H 1 8.368 0.003 . . . . . . 38 GLY H . 6730 1 386 . 1 1 38 38 GLY HA2 H 1 3.977 0.000 . . . . . . 38 GLY HA2 . 6730 1 387 . 1 1 38 38 GLY HA3 H 1 3.817 0.005 . . . . . . 38 GLY HA3 . 6730 1 388 . 1 1 38 38 GLY C C 13 128.732 0.000 . . . . . . 38 GLY C . 6730 1 389 . 1 1 38 38 GLY CA C 13 44.756 0.023 . . . . . . 38 GLY CA . 6730 1 390 . 1 1 38 38 GLY N N 15 110.574 0.043 . . . . . . 38 GLY N . 6730 1 391 . 1 1 39 39 GLY H H 1 7.627 0.004 . . . . . . 39 GLY H . 6730 1 392 . 1 1 39 39 GLY HA2 H 1 4.262 0.011 . . . . . . 39 GLY HA2 . 6730 1 393 . 1 1 39 39 GLY HA3 H 1 3.534 0.003 . . . . . . 39 GLY HA3 . 6730 1 394 . 1 1 39 39 GLY C C 13 128.889 0.000 . . . . . . 39 GLY C . 6730 1 395 . 1 1 39 39 GLY CA C 13 43.849 0.083 . . . . . . 39 GLY CA . 6730 1 396 . 1 1 39 39 GLY N N 15 105.044 0.043 . . . . . . 39 GLY N . 6730 1 397 . 1 1 40 40 LEU H H 1 8.669 0.006 . . . . . . 40 LEU H . 6730 1 398 . 1 1 40 40 LEU HA H 1 5.161 0.000 . . . . . . 40 LEU HA . 6730 1 399 . 1 1 40 40 LEU HB2 H 1 1.940 0.003 . . . . . . 40 LEU HB2 . 6730 1 400 . 1 1 40 40 LEU HB3 H 1 1.557 0.012 . . . . . . 40 LEU HB3 . 6730 1 401 . 1 1 40 40 LEU HG H 1 1.604 0.003 . . . . . . 40 LEU HG . 6730 1 402 . 1 1 40 40 LEU HD11 H 1 0.958 0.006 . . . . . . 40 LEU HD1 . 6730 1 403 . 1 1 40 40 LEU HD12 H 1 0.958 0.006 . . . . . . 40 LEU HD1 . 6730 1 404 . 1 1 40 40 LEU HD13 H 1 0.958 0.006 . . . . . . 40 LEU HD1 . 6730 1 405 . 1 1 40 40 LEU HD21 H 1 1.071 0.005 . . . . . . 40 LEU HD2 . 6730 1 406 . 1 1 40 40 LEU HD22 H 1 1.071 0.005 . . . . . . 40 LEU HD2 . 6730 1 407 . 1 1 40 40 LEU HD23 H 1 1.071 0.005 . . . . . . 40 LEU HD2 . 6730 1 408 . 1 1 40 40 LEU C C 13 132.596 0.000 . . . . . . 40 LEU C . 6730 1 409 . 1 1 40 40 LEU CA C 13 53.718 0.050 . . . . . . 40 LEU CA . 6730 1 410 . 1 1 40 40 LEU CB C 13 43.792 0.053 . . . . . . 40 LEU CB . 6730 1 411 . 1 1 40 40 LEU CG C 13 26.936 0.000 . . . . . . 40 LEU CG . 6730 1 412 . 1 1 40 40 LEU CD1 C 13 25.723 0.074 . . . . . . 40 LEU CD1 . 6730 1 413 . 1 1 40 40 LEU CD2 C 13 23.985 0.044 . . . . . . 40 LEU CD2 . 6730 1 414 . 1 1 40 40 LEU N N 15 126.133 0.069 . . . . . . 40 LEU N . 6730 1 415 . 1 1 41 41 SER H H 1 9.401 0.004 . . . . . . 41 SER H . 6730 1 416 . 1 1 41 41 SER HA H 1 4.866 0.000 . . . . . . 41 SER HA . 6730 1 417 . 1 1 41 41 SER HB2 H 1 3.762 0.000 . . . . . . 41 SER HB2 . 6730 1 418 . 1 1 41 41 SER HB3 H 1 3.677 0.001 . . . . . . 41 SER HB3 . 6730 1 419 . 1 1 41 41 SER HG H 1 8.500 0.000 . . . . . . 41 SER HG . 6730 1 420 . 1 1 41 41 SER C C 13 128.341 0.000 . . . . . . 41 SER C . 6730 1 421 . 1 1 41 41 SER CA C 13 56.442 0.040 . . . . . . 41 SER CA . 6730 1 422 . 1 1 41 41 SER CB C 13 64.768 0.060 . . . . . . 41 SER CB . 6730 1 423 . 1 1 41 41 SER N N 15 122.263 0.039 . . . . . . 41 SER N . 6730 1 424 . 1 1 42 42 LEU H H 1 8.548 0.065 . . . . . . 42 LEU H . 6730 1 425 . 1 1 42 42 LEU HA H 1 5.469 0.007 . . . . . . 42 LEU HA . 6730 1 426 . 1 1 42 42 LEU HB2 H 1 1.825 0.005 . . . . . . 42 LEU HB2 . 6730 1 427 . 1 1 42 42 LEU HB3 H 1 1.313 0.003 . . . . . . 42 LEU HB3 . 6730 1 428 . 1 1 42 42 LEU HG H 1 0.962 0.008 . . . . . . 42 LEU HG . 6730 1 429 . 1 1 42 42 LEU HD11 H 1 1.678 0.000 . . . . . . 42 LEU HD1 . 6730 1 430 . 1 1 42 42 LEU HD12 H 1 1.678 0.000 . . . . . . 42 LEU HD1 . 6730 1 431 . 1 1 42 42 LEU HD13 H 1 1.678 0.000 . . . . . . 42 LEU HD1 . 6730 1 432 . 1 1 42 42 LEU HD21 H 1 1.130 0.000 . . . . . . 42 LEU HD2 . 6730 1 433 . 1 1 42 42 LEU HD22 H 1 1.130 0.000 . . . . . . 42 LEU HD2 . 6730 1 434 . 1 1 42 42 LEU HD23 H 1 1.130 0.000 . . . . . . 42 LEU HD2 . 6730 1 435 . 1 1 42 42 LEU CA C 13 52.338 0.064 . . . . . . 42 LEU CA . 6730 1 436 . 1 1 42 42 LEU CB C 13 46.114 0.036 . . . . . . 42 LEU CB . 6730 1 437 . 1 1 42 42 LEU CG C 13 26.448 0.013 . . . . . . 42 LEU CG . 6730 1 438 . 1 1 42 42 LEU CD1 C 13 26.737 0.000 . . . . . . 42 LEU CD1 . 6730 1 439 . 1 1 42 42 LEU CD2 C 13 25.442 0.017 . . . . . . 42 LEU CD2 . 6730 1 440 . 1 1 42 42 LEU N N 15 124.995 0.352 . . . . . . 42 LEU N . 6730 1 441 . 1 1 43 43 ALA H H 1 8.729 0.005 . . . . . . 43 ALA H . 6730 1 442 . 1 1 43 43 ALA HA H 1 4.652 0.007 . . . . . . 43 ALA HA . 6730 1 443 . 1 1 43 43 ALA HB1 H 1 1.493 0.005 . . . . . . 43 ALA HB . 6730 1 444 . 1 1 43 43 ALA HB2 H 1 1.493 0.005 . . . . . . 43 ALA HB . 6730 1 445 . 1 1 43 43 ALA HB3 H 1 1.493 0.005 . . . . . . 43 ALA HB . 6730 1 446 . 1 1 43 43 ALA C C 13 130.414 0.000 . . . . . . 43 ALA C . 6730 1 447 . 1 1 43 43 ALA CA C 13 51.350 0.074 . . . . . . 43 ALA CA . 6730 1 448 . 1 1 43 43 ALA CB C 13 22.042 0.100 . . . . . . 43 ALA CB . 6730 1 449 . 1 1 43 43 ALA N N 15 124.040 0.051 . . . . . . 43 ALA N . 6730 1 450 . 1 1 44 44 ILE H H 1 8.756 0.003 . . . . . . 44 ILE H . 6730 1 451 . 1 1 44 44 ILE HA H 1 5.357 0.000 . . . . . . 44 ILE HA . 6730 1 452 . 1 1 44 44 ILE HB H 1 1.637 0.004 . . . . . . 44 ILE HB . 6730 1 453 . 1 1 44 44 ILE HG12 H 1 1.441 0.023 . . . . . . 44 ILE HG12 . 6730 1 454 . 1 1 44 44 ILE HG13 H 1 1.041 0.012 . . . . . . 44 ILE HG13 . 6730 1 455 . 1 1 44 44 ILE HG21 H 1 0.843 0.010 . . . . . . 44 ILE QG2 . 6730 1 456 . 1 1 44 44 ILE HG22 H 1 0.843 0.010 . . . . . . 44 ILE QG2 . 6730 1 457 . 1 1 44 44 ILE HG23 H 1 0.843 0.010 . . . . . . 44 ILE QG2 . 6730 1 458 . 1 1 44 44 ILE HD11 H 1 0.163 0.012 . . . . . . 44 ILE HD1 . 6730 1 459 . 1 1 44 44 ILE HD12 H 1 0.163 0.012 . . . . . . 44 ILE HD1 . 6730 1 460 . 1 1 44 44 ILE HD13 H 1 0.163 0.012 . . . . . . 44 ILE HD1 . 6730 1 461 . 1 1 44 44 ILE C C 13 131.236 0.000 . . . . . . 44 ILE C . 6730 1 462 . 1 1 44 44 ILE CA C 13 59.012 0.021 . . . . . . 44 ILE CA . 6730 1 463 . 1 1 44 44 ILE CB C 13 40.526 0.039 . . . . . . 44 ILE CB . 6730 1 464 . 1 1 44 44 ILE CG1 C 13 27.564 0.063 . . . . . . 44 ILE CG1 . 6730 1 465 . 1 1 44 44 ILE CG2 C 13 16.682 0.083 . . . . . . 44 ILE CG2 . 6730 1 466 . 1 1 44 44 ILE CD1 C 13 13.241 0.024 . . . . . . 44 ILE CD1 . 6730 1 467 . 1 1 44 44 ILE N N 15 120.267 0.040 . . . . . . 44 ILE N . 6730 1 468 . 1 1 45 45 GLU H H 1 9.330 0.005 . . . . . . 45 GLU H . 6730 1 469 . 1 1 45 45 GLU HA H 1 4.947 0.000 . . . . . . 45 GLU HA . 6730 1 470 . 1 1 45 45 GLU HB2 H 1 2.078 0.000 . . . . . . 45 GLU HB2 . 6730 1 471 . 1 1 45 45 GLU HB3 H 1 1.888 0.003 . . . . . . 45 GLU HB3 . 6730 1 472 . 1 1 45 45 GLU HG2 H 1 2.236 0.004 . . . . . . 45 GLU HG2 . 6730 1 473 . 1 1 45 45 GLU C C 13 131.224 0.000 . . . . . . 45 GLU C . 6730 1 474 . 1 1 45 45 GLU CA C 13 53.489 0.040 . . . . . . 45 GLU CA . 6730 1 475 . 1 1 45 45 GLU CB C 13 31.916 0.051 . . . . . . 45 GLU CB . 6730 1 476 . 1 1 45 45 GLU CG C 13 35.048 0.092 . . . . . . 45 GLU CG . 6730 1 477 . 1 1 45 45 GLU N N 15 128.562 0.038 . . . . . . 45 GLU N . 6730 1 478 . 1 1 46 46 GLY H H 1 8.506 0.003 . . . . . . 46 GLY H . 6730 1 479 . 1 1 46 46 GLY HA2 H 1 4.030 0.000 . . . . . . 46 GLY HA2 . 6730 1 480 . 1 1 46 46 GLY HA3 H 1 3.698 0.000 . . . . . . 46 GLY HA3 . 6730 1 481 . 1 1 46 46 GLY CA C 13 44.968 0.011 . . . . . . 46 GLY CA . 6730 1 482 . 1 1 46 46 GLY N N 15 111.382 0.032 . . . . . . 46 GLY N . 6730 1 483 . 1 1 47 47 PRO HA H 1 4.306 0.003 . . . . . . 47 PRO HA . 6730 1 484 . 1 1 47 47 PRO HB2 H 1 2.327 0.004 . . . . . . 47 PRO HB2 . 6730 1 485 . 1 1 47 47 PRO HB3 H 1 1.853 0.000 . . . . . . 47 PRO HB3 . 6730 1 486 . 1 1 47 47 PRO HG2 H 1 1.867 0.000 . . . . . . 47 PRO HG2 . 6730 1 487 . 1 1 47 47 PRO HG3 H 1 1.699 0.001 . . . . . . 47 PRO HG3 . 6730 1 488 . 1 1 47 47 PRO HD2 H 1 3.023 0.008 . . . . . . 47 PRO HD2 . 6730 1 489 . 1 1 47 47 PRO HD3 H 1 1.868 0.005 . . . . . . 47 PRO HD3 . 6730 1 490 . 1 1 47 47 PRO C C 13 132.244 0.000 . . . . . . 47 PRO C . 6730 1 491 . 1 1 47 47 PRO CA C 13 63.452 0.078 . . . . . . 47 PRO CA . 6730 1 492 . 1 1 47 47 PRO CB C 13 31.641 0.087 . . . . . . 47 PRO CB . 6730 1 493 . 1 1 47 47 PRO CG C 13 26.125 0.080 . . . . . . 47 PRO CG . 6730 1 494 . 1 1 47 47 PRO CD C 13 48.290 0.059 . . . . . . 47 PRO CD . 6730 1 495 . 1 1 48 48 SER H H 1 7.145 0.003 . . . . . . 48 SER H . 6730 1 496 . 1 1 48 48 SER HA H 1 4.636 0.000 . . . . . . 48 SER HA . 6730 1 497 . 1 1 48 48 SER HB2 H 1 3.983 0.008 . . . . . . 48 SER HB2 . 6730 1 498 . 1 1 48 48 SER HB3 H 1 3.740 0.003 . . . . . . 48 SER HB3 . 6730 1 499 . 1 1 48 48 SER C C 13 129.197 0.000 . . . . . . 48 SER C . 6730 1 500 . 1 1 48 48 SER CA C 13 55.816 0.094 . . . . . . 48 SER CA . 6730 1 501 . 1 1 48 48 SER CB C 13 65.831 0.048 . . . . . . 48 SER CB . 6730 1 502 . 1 1 48 48 SER N N 15 108.487 0.030 . . . . . . 48 SER N . 6730 1 503 . 1 1 49 49 LYS H H 1 8.625 0.004 . . . . . . 49 LYS H . 6730 1 504 . 1 1 49 49 LYS HA H 1 4.435 0.006 . . . . . . 49 LYS HA . 6730 1 505 . 1 1 49 49 LYS HB2 H 1 1.910 0.000 . . . . . . 49 LYS HB2 . 6730 1 506 . 1 1 49 49 LYS HB3 H 1 1.865 0.000 . . . . . . 49 LYS HB3 . 6730 1 507 . 1 1 49 49 LYS HG2 H 1 1.559 0.000 . . . . . . 49 LYS HG2 . 6730 1 508 . 1 1 49 49 LYS HG3 H 1 1.430 0.000 . . . . . . 49 LYS HG3 . 6730 1 509 . 1 1 49 49 LYS HD2 H 1 1.805 0.008 . . . . . . 49 LYS HD2 . 6730 1 510 . 1 1 49 49 LYS HZ1 H 1 3.101 0.000 . . . . . . 49 LYS HZ . 6730 1 511 . 1 1 49 49 LYS HZ2 H 1 3.101 0.000 . . . . . . 49 LYS HZ . 6730 1 512 . 1 1 49 49 LYS HZ3 H 1 3.101 0.000 . . . . . . 49 LYS HZ . 6730 1 513 . 1 1 49 49 LYS C C 13 131.908 0.000 . . . . . . 49 LYS C . 6730 1 514 . 1 1 49 49 LYS CA C 13 55.960 0.022 . . . . . . 49 LYS CA . 6730 1 515 . 1 1 49 49 LYS CB C 13 31.173 0.049 . . . . . . 49 LYS CB . 6730 1 516 . 1 1 49 49 LYS CG C 13 24.175 0.030 . . . . . . 49 LYS CG . 6730 1 517 . 1 1 49 49 LYS CD C 13 28.520 0.065 . . . . . . 49 LYS CD . 6730 1 518 . 1 1 49 49 LYS CE C 13 41.609 0.000 . . . . . . 49 LYS CE . 6730 1 519 . 1 1 49 49 LYS N N 15 123.649 0.035 . . . . . . 49 LYS N . 6730 1 520 . 1 1 50 50 ALA H H 1 8.514 0.003 . . . . . . 50 ALA H . 6730 1 521 . 1 1 50 50 ALA HA H 1 4.721 0.011 . . . . . . 50 ALA HA . 6730 1 522 . 1 1 50 50 ALA HB1 H 1 1.251 0.005 . . . . . . 50 ALA HB . 6730 1 523 . 1 1 50 50 ALA HB2 H 1 1.251 0.005 . . . . . . 50 ALA HB . 6730 1 524 . 1 1 50 50 ALA HB3 H 1 1.251 0.005 . . . . . . 50 ALA HB . 6730 1 525 . 1 1 50 50 ALA CA C 13 50.325 0.063 . . . . . . 50 ALA CA . 6730 1 526 . 1 1 50 50 ALA CB C 13 19.746 0.060 . . . . . . 50 ALA CB . 6730 1 527 . 1 1 50 50 ALA N N 15 130.624 0.039 . . . . . . 50 ALA N . 6730 1 528 . 1 1 51 51 GLU H H 1 8.730 0.002 . . . . . . 51 GLU H . 6730 1 529 . 1 1 51 51 GLU HA H 1 4.281 0.005 . . . . . . 51 GLU HA . 6730 1 530 . 1 1 51 51 GLU HB2 H 1 2.039 0.000 . . . . . . 51 GLU HB2 . 6730 1 531 . 1 1 51 51 GLU HB3 H 1 1.992 0.002 . . . . . . 51 GLU HB3 . 6730 1 532 . 1 1 51 51 GLU HG2 H 1 2.412 0.000 . . . . . . 51 GLU HG2 . 6730 1 533 . 1 1 51 51 GLU HG3 H 1 2.300 0.000 . . . . . . 51 GLU HG3 . 6730 1 534 . 1 1 51 51 GLU C C 13 132.766 0.000 . . . . . . 51 GLU C . 6730 1 535 . 1 1 51 51 GLU CA C 13 56.319 0.037 . . . . . . 51 GLU CA . 6730 1 536 . 1 1 51 51 GLU CB C 13 29.741 0.059 . . . . . . 51 GLU CB . 6730 1 537 . 1 1 51 51 GLU CG C 13 35.473 0.068 . . . . . . 51 GLU CG . 6730 1 538 . 1 1 51 51 GLU N N 15 123.921 0.027 . . . . . . 51 GLU N . 6730 1 539 . 1 1 52 52 ILE H H 1 8.749 0.003 . . . . . . 52 ILE H . 6730 1 540 . 1 1 52 52 ILE HA H 1 4.888 0.000 . . . . . . 52 ILE HA . 6730 1 541 . 1 1 52 52 ILE HB H 1 1.673 0.001 . . . . . . 52 ILE HB . 6730 1 542 . 1 1 52 52 ILE HG12 H 1 1.875 0.001 . . . . . . 52 ILE HG12 . 6730 1 543 . 1 1 52 52 ILE HG13 H 1 0.815 0.000 . . . . . . 52 ILE HG13 . 6730 1 544 . 1 1 52 52 ILE HG21 H 1 0.845 0.015 . . . . . . 52 ILE QG2 . 6730 1 545 . 1 1 52 52 ILE HG22 H 1 0.845 0.015 . . . . . . 52 ILE QG2 . 6730 1 546 . 1 1 52 52 ILE HG23 H 1 0.845 0.015 . . . . . . 52 ILE QG2 . 6730 1 547 . 1 1 52 52 ILE HD11 H 1 0.841 0.012 . . . . . . 52 ILE HD1 . 6730 1 548 . 1 1 52 52 ILE HD12 H 1 0.841 0.012 . . . . . . 52 ILE HD1 . 6730 1 549 . 1 1 52 52 ILE HD13 H 1 0.841 0.012 . . . . . . 52 ILE HD1 . 6730 1 550 . 1 1 52 52 ILE C C 13 131.518 0.000 . . . . . . 52 ILE C . 6730 1 551 . 1 1 52 52 ILE CA C 13 59.959 0.052 . . . . . . 52 ILE CA . 6730 1 552 . 1 1 52 52 ILE CB C 13 40.734 0.051 . . . . . . 52 ILE CB . 6730 1 553 . 1 1 52 52 ILE CG1 C 13 27.839 0.091 . . . . . . 52 ILE CG1 . 6730 1 554 . 1 1 52 52 ILE CG2 C 13 16.703 0.047 . . . . . . 52 ILE CG2 . 6730 1 555 . 1 1 52 52 ILE CD1 C 13 13.581 0.079 . . . . . . 52 ILE CD1 . 6730 1 556 . 1 1 52 52 ILE N N 15 125.613 0.041 . . . . . . 52 ILE N . 6730 1 557 . 1 1 53 53 SER H H 1 9.357 0.003 . . . . . . 53 SER H . 6730 1 558 . 1 1 53 53 SER HA H 1 4.823 0.000 . . . . . . 53 SER HA . 6730 1 559 . 1 1 53 53 SER HB2 H 1 3.780 0.000 . . . . . . 53 SER HB2 . 6730 1 560 . 1 1 53 53 SER HB3 H 1 3.742 0.000 . . . . . . 53 SER HB3 . 6730 1 561 . 1 1 53 53 SER C C 13 128.595 0.000 . . . . . . 53 SER C . 6730 1 562 . 1 1 53 53 SER CA C 13 56.359 0.131 . . . . . . 53 SER CA . 6730 1 563 . 1 1 53 53 SER CB C 13 64.365 0.062 . . . . . . 53 SER CB . 6730 1 564 . 1 1 53 53 SER N N 15 123.418 0.039 . . . . . . 53 SER N . 6730 1 565 . 1 1 54 54 CYS H H 1 8.890 0.004 . . . . . . 54 CYS H . 6730 1 566 . 1 1 54 54 CYS HA H 1 5.202 0.006 . . . . . . 54 CYS HA . 6730 1 567 . 1 1 54 54 CYS HB2 H 1 2.834 0.005 . . . . . . 54 CYS HB2 . 6730 1 568 . 1 1 54 54 CYS HB3 H 1 2.497 0.012 . . . . . . 54 CYS HB3 . 6730 1 569 . 1 1 54 54 CYS C C 13 129.767 0.000 . . . . . . 54 CYS C . 6730 1 570 . 1 1 54 54 CYS CA C 13 56.565 0.041 . . . . . . 54 CYS CA . 6730 1 571 . 1 1 54 54 CYS CB C 13 28.371 0.072 . . . . . . 54 CYS CB . 6730 1 572 . 1 1 54 54 CYS N N 15 124.838 0.030 . . . . . . 54 CYS N . 6730 1 573 . 1 1 55 55 THR H H 1 9.011 0.006 . . . . . . 55 THR H . 6730 1 574 . 1 1 55 55 THR HA H 1 4.529 0.004 . . . . . . 55 THR HA . 6730 1 575 . 1 1 55 55 THR HB H 1 3.996 0.006 . . . . . . 55 THR HB . 6730 1 576 . 1 1 55 55 THR HG21 H 1 1.173 0.002 . . . . . . 55 THR HG2 . 6730 1 577 . 1 1 55 55 THR HG22 H 1 1.173 0.002 . . . . . . 55 THR HG2 . 6730 1 578 . 1 1 55 55 THR HG23 H 1 1.173 0.002 . . . . . . 55 THR HG2 . 6730 1 579 . 1 1 55 55 THR C C 13 128.691 0.000 . . . . . . 55 THR C . 6730 1 580 . 1 1 55 55 THR CA C 13 60.713 0.047 . . . . . . 55 THR CA . 6730 1 581 . 1 1 55 55 THR CB C 13 70.744 0.048 . . . . . . 55 THR CB . 6730 1 582 . 1 1 55 55 THR CG2 C 13 20.649 0.023 . . . . . . 55 THR CG2 . 6730 1 583 . 1 1 55 55 THR N N 15 124.071 0.037 . . . . . . 55 THR N . 6730 1 584 . 1 1 56 56 ASP H H 1 8.987 0.004 . . . . . . 56 ASP H . 6730 1 585 . 1 1 56 56 ASP HA H 1 4.763 0.000 . . . . . . 56 ASP HA . 6730 1 586 . 1 1 56 56 ASP HB2 H 1 2.923 0.007 . . . . . . 56 ASP HB2 . 6730 1 587 . 1 1 56 56 ASP HB3 H 1 2.649 0.000 . . . . . . 56 ASP HB3 . 6730 1 588 . 1 1 56 56 ASP CA C 13 53.624 0.008 . . . . . . 56 ASP CA . 6730 1 589 . 1 1 56 56 ASP CB C 13 40.359 0.166 . . . . . . 56 ASP CB . 6730 1 590 . 1 1 56 56 ASP N N 15 127.296 0.039 . . . . . . 56 ASP N . 6730 1 591 . 1 1 57 57 ASN H H 1 8.786 0.000 . . . . . . 57 ASN H . 6730 1 592 . 1 1 57 57 ASN HA H 1 4.525 0.000 . . . . . . 57 ASN HA . 6730 1 593 . 1 1 57 57 ASN HB2 H 1 2.805 0.000 . . . . . . 57 ASN HB2 . 6730 1 594 . 1 1 57 57 ASN HB3 H 1 3.071 0.000 . . . . . . 57 ASN HB3 . 6730 1 595 . 1 1 57 57 ASN HD21 H 1 7.507 0.000 . . . . . . 57 ASN HD21 . 6730 1 596 . 1 1 57 57 ASN HD22 H 1 7.313 0.000 . . . . . . 57 ASN HD22 . 6730 1 597 . 1 1 57 57 ASN CA C 13 54.637 0.000 . . . . . . 57 ASN CA . 6730 1 598 . 1 1 57 57 ASN CB C 13 38.300 0.000 . . . . . . 57 ASN CB . 6730 1 599 . 1 1 57 57 ASN N N 15 125.035 0.000 . . . . . . 57 ASN N . 6730 1 600 . 1 1 57 57 ASN ND2 N 15 114.820 0.001 . . . . . . 57 ASN ND2 . 6730 1 601 . 1 1 58 58 GLN H H 1 9.476 0.000 . . . . . . 58 GLN H . 6730 1 602 . 1 1 58 58 GLN HA H 1 4.076 0.009 . . . . . . 58 GLN HA . 6730 1 603 . 1 1 58 58 GLN HB2 H 1 2.374 0.000 . . . . . . 58 GLN HB2 . 6730 1 604 . 1 1 58 58 GLN HG2 H 1 2.330 0.000 . . . . . . 58 GLN HG2 . 6730 1 605 . 1 1 58 58 GLN HG3 H 1 2.263 0.000 . . . . . . 58 GLN HG3 . 6730 1 606 . 1 1 58 58 GLN HE21 H 1 7.576 0.000 . . . . . . 58 GLN HE21 . 6730 1 607 . 1 1 58 58 GLN HE22 H 1 6.917 0.000 . . . . . . 58 GLN HE22 . 6730 1 608 . 1 1 58 58 GLN CA C 13 57.082 0.032 . . . . . . 58 GLN CA . 6730 1 609 . 1 1 58 58 GLN CB C 13 25.242 0.000 . . . . . . 58 GLN CB . 6730 1 610 . 1 1 58 58 GLN CG C 13 33.495 0.001 . . . . . . 58 GLN CG . 6730 1 611 . 1 1 58 58 GLN N N 15 115.000 0.000 . . . . . . 58 GLN N . 6730 1 612 . 1 1 58 58 GLN NE2 N 15 112.900 0.000 . . . . . . 58 GLN NE2 . 6730 1 613 . 1 1 59 59 ASP H H 1 7.960 0.004 . . . . . . 59 ASP H . 6730 1 614 . 1 1 59 59 ASP HA H 1 4.781 0.008 . . . . . . 59 ASP HA . 6730 1 615 . 1 1 59 59 ASP HB2 H 1 3.109 0.000 . . . . . . 59 ASP HB2 . 6730 1 616 . 1 1 59 59 ASP HB3 H 1 2.494 0.000 . . . . . . 59 ASP HB3 . 6730 1 617 . 1 1 59 59 ASP CA C 13 51.860 0.000 . . . . . . 59 ASP CA . 6730 1 618 . 1 1 59 59 ASP CB C 13 40.422 0.002 . . . . . . 59 ASP CB . 6730 1 619 . 1 1 59 59 ASP N N 15 117.854 0.016 . . . . . . 59 ASP N . 6730 1 620 . 1 1 60 60 GLY H H 1 8.770 0.000 . . . . . . 60 GLY H . 6730 1 621 . 1 1 60 60 GLY HA2 H 1 4.357 0.000 . . . . . . 60 GLY HA2 . 6730 1 622 . 1 1 60 60 GLY HA3 H 1 3.713 0.007 . . . . . . 60 GLY HA3 . 6730 1 623 . 1 1 60 60 GLY C C 13 129.177 0.000 . . . . . . 60 GLY C . 6730 1 624 . 1 1 60 60 GLY CA C 13 44.642 0.081 . . . . . . 60 GLY CA . 6730 1 625 . 1 1 61 61 THR H H 1 8.155 0.004 . . . . . . 61 THR H . 6730 1 626 . 1 1 61 61 THR HA H 1 5.600 0.000 . . . . . . 61 THR HA . 6730 1 627 . 1 1 61 61 THR HB H 1 4.117 0.001 . . . . . . 61 THR HB . 6730 1 628 . 1 1 61 61 THR HG21 H 1 1.185 0.000 . . . . . . 61 THR HG2 . 6730 1 629 . 1 1 61 61 THR HG22 H 1 1.185 0.000 . . . . . . 61 THR HG2 . 6730 1 630 . 1 1 61 61 THR HG23 H 1 1.185 0.000 . . . . . . 61 THR HG2 . 6730 1 631 . 1 1 61 61 THR C C 13 129.794 0.000 . . . . . . 61 THR C . 6730 1 632 . 1 1 61 61 THR CA C 13 59.292 0.049 . . . . . . 61 THR CA . 6730 1 633 . 1 1 61 61 THR CB C 13 72.759 0.055 . . . . . . 61 THR CB . 6730 1 634 . 1 1 61 61 THR CG2 C 13 20.863 0.000 . . . . . . 61 THR CG2 . 6730 1 635 . 1 1 61 61 THR N N 15 109.872 0.039 . . . . . . 61 THR N . 6730 1 636 . 1 1 62 62 CYS H H 1 9.138 0.004 . . . . . . 62 CYS H . 6730 1 637 . 1 1 62 62 CYS HA H 1 5.430 0.011 . . . . . . 62 CYS HA . 6730 1 638 . 1 1 62 62 CYS HB2 H 1 2.764 0.000 . . . . . . 62 CYS HB2 . 6730 1 639 . 1 1 62 62 CYS HB3 H 1 2.706 0.000 . . . . . . 62 CYS HB3 . 6730 1 640 . 1 1 62 62 CYS C C 13 130.170 0.000 . . . . . . 62 CYS C . 6730 1 641 . 1 1 62 62 CYS CA C 13 56.126 0.066 . . . . . . 62 CYS CA . 6730 1 642 . 1 1 62 62 CYS CB C 13 30.054 0.090 . . . . . . 62 CYS CB . 6730 1 643 . 1 1 62 62 CYS N N 15 117.488 0.044 . . . . . . 62 CYS N . 6730 1 644 . 1 1 63 63 SER H H 1 9.191 0.004 . . . . . . 63 SER H . 6730 1 645 . 1 1 63 63 SER HA H 1 4.855 0.000 . . . . . . 63 SER HA . 6730 1 646 . 1 1 63 63 SER HB2 H 1 3.992 0.000 . . . . . . 63 SER HB2 . 6730 1 647 . 1 1 63 63 SER HB3 H 1 3.772 0.015 . . . . . . 63 SER HB3 . 6730 1 648 . 1 1 63 63 SER C C 13 129.047 0.000 . . . . . . 63 SER C . 6730 1 649 . 1 1 63 63 SER CA C 13 57.389 0.075 . . . . . . 63 SER CA . 6730 1 650 . 1 1 63 63 SER CB C 13 63.326 0.059 . . . . . . 63 SER CB . 6730 1 651 . 1 1 63 63 SER N N 15 121.350 0.034 . . . . . . 63 SER N . 6730 1 652 . 1 1 64 64 VAL H H 1 9.050 0.003 . . . . . . 64 VAL H . 6730 1 653 . 1 1 64 64 VAL HA H 1 4.642 0.000 . . . . . . 64 VAL HA . 6730 1 654 . 1 1 64 64 VAL HB H 1 0.106 0.005 . . . . . . 64 VAL HB . 6730 1 655 . 1 1 64 64 VAL HG11 H 1 0.554 0.000 . . . . . . 64 VAL HG1 . 6730 1 656 . 1 1 64 64 VAL HG12 H 1 0.554 0.000 . . . . . . 64 VAL HG1 . 6730 1 657 . 1 1 64 64 VAL HG13 H 1 0.554 0.000 . . . . . . 64 VAL HG1 . 6730 1 658 . 1 1 64 64 VAL HG21 H 1 0.530 0.000 . . . . . . 64 VAL HG2 . 6730 1 659 . 1 1 64 64 VAL HG22 H 1 0.530 0.000 . . . . . . 64 VAL HG2 . 6730 1 660 . 1 1 64 64 VAL HG23 H 1 0.530 0.000 . . . . . . 64 VAL HG2 . 6730 1 661 . 1 1 64 64 VAL C C 13 130.584 0.000 . . . . . . 64 VAL C . 6730 1 662 . 1 1 64 64 VAL CA C 13 59.949 0.068 . . . . . . 64 VAL CA . 6730 1 663 . 1 1 64 64 VAL CB C 13 31.987 0.073 . . . . . . 64 VAL CB . 6730 1 664 . 1 1 64 64 VAL CG1 C 13 22.664 0.086 . . . . . . 64 VAL CG1 . 6730 1 665 . 1 1 64 64 VAL CG2 C 13 21.307 0.055 . . . . . . 64 VAL CG2 . 6730 1 666 . 1 1 64 64 VAL N N 15 129.261 0.036 . . . . . . 64 VAL N . 6730 1 667 . 1 1 65 65 SER H H 1 8.766 0.005 . . . . . . 65 SER H . 6730 1 668 . 1 1 65 65 SER HA H 1 5.615 0.021 . . . . . . 65 SER HA . 6730 1 669 . 1 1 65 65 SER HB2 H 1 3.575 0.000 . . . . . . 65 SER HB2 . 6730 1 670 . 1 1 65 65 SER HB3 H 1 3.473 0.000 . . . . . . 65 SER HB3 . 6730 1 671 . 1 1 65 65 SER C C 13 128.776 0.000 . . . . . . 65 SER C . 6730 1 672 . 1 1 65 65 SER CA C 13 55.350 0.029 . . . . . . 65 SER CA . 6730 1 673 . 1 1 65 65 SER CB C 13 65.375 0.054 . . . . . . 65 SER CB . 6730 1 674 . 1 1 65 65 SER N N 15 120.839 0.050 . . . . . . 65 SER N . 6730 1 675 . 1 1 66 66 TYR H H 1 9.089 0.004 . . . . . . 66 TYR H . 6730 1 676 . 1 1 66 66 TYR HA H 1 5.799 0.010 . . . . . . 66 TYR HA . 6730 1 677 . 1 1 66 66 TYR HB2 H 1 2.645 0.000 . . . . . . 66 TYR HB2 . 6730 1 678 . 1 1 66 66 TYR HB3 H 1 2.575 0.000 . . . . . . 66 TYR HB3 . 6730 1 679 . 1 1 66 66 TYR HD1 H 1 6.910 0.003 . . . . . . 66 TYR HD1 . 6730 1 680 . 1 1 66 66 TYR HE1 H 1 6.636 0.002 . . . . . . 66 TYR HE1 . 6730 1 681 . 1 1 66 66 TYR C C 13 128.994 0.000 . . . . . . 66 TYR C . 6730 1 682 . 1 1 66 66 TYR CA C 13 54.482 0.053 . . . . . . 66 TYR CA . 6730 1 683 . 1 1 66 66 TYR CB C 13 41.566 0.056 . . . . . . 66 TYR CB . 6730 1 684 . 1 1 66 66 TYR CD1 C 13 58.343 0.000 . . . . . . 66 TYR CD1 . 6730 1 685 . 1 1 66 66 TYR CE1 C 13 42.303 0.000 . . . . . . 66 TYR CE1 . 6730 1 686 . 1 1 66 66 TYR N N 15 121.051 0.037 . . . . . . 66 TYR N . 6730 1 687 . 1 1 67 67 LEU H H 1 7.581 0.004 . . . . . . 67 LEU H . 6730 1 688 . 1 1 67 67 LEU HA H 1 5.041 0.000 . . . . . . 67 LEU HA . 6730 1 689 . 1 1 67 67 LEU HB2 H 1 1.966 0.009 . . . . . . 67 LEU HB2 . 6730 1 690 . 1 1 67 67 LEU HB3 H 1 1.245 0.008 . . . . . . 67 LEU HB3 . 6730 1 691 . 1 1 67 67 LEU HG H 1 1.310 0.000 . . . . . . 67 LEU HG . 6730 1 692 . 1 1 67 67 LEU HD11 H 1 0.730 0.000 . . . . . . 67 LEU HD1 . 6730 1 693 . 1 1 67 67 LEU HD12 H 1 0.730 0.000 . . . . . . 67 LEU HD1 . 6730 1 694 . 1 1 67 67 LEU HD13 H 1 0.730 0.000 . . . . . . 67 LEU HD1 . 6730 1 695 . 1 1 67 67 LEU HD21 H 1 0.554 0.000 . . . . . . 67 LEU HD2 . 6730 1 696 . 1 1 67 67 LEU HD22 H 1 0.554 0.000 . . . . . . 67 LEU HD2 . 6730 1 697 . 1 1 67 67 LEU HD23 H 1 0.554 0.000 . . . . . . 67 LEU HD2 . 6730 1 698 . 1 1 67 67 LEU CA C 13 49.688 0.024 . . . . . . 67 LEU CA . 6730 1 699 . 1 1 67 67 LEU CB C 13 42.534 0.098 . . . . . . 67 LEU CB . 6730 1 700 . 1 1 67 67 LEU CG C 13 26.930 0.000 . . . . . . 67 LEU CG . 6730 1 701 . 1 1 67 67 LEU CD1 C 13 24.183 0.000 . . . . . . 67 LEU CD1 . 6730 1 702 . 1 1 67 67 LEU CD2 C 13 22.750 0.000 . . . . . . 67 LEU CD2 . 6730 1 703 . 1 1 67 67 LEU N N 15 122.316 0.038 . . . . . . 67 LEU N . 6730 1 704 . 1 1 68 68 PRO HA H 1 4.704 0.000 . . . . . . 68 PRO HA . 6730 1 705 . 1 1 68 68 PRO HB2 H 1 1.704 0.026 . . . . . . 68 PRO HB2 . 6730 1 706 . 1 1 68 68 PRO HB3 H 1 1.286 0.004 . . . . . . 68 PRO HB3 . 6730 1 707 . 1 1 68 68 PRO HG2 H 1 2.227 0.000 . . . . . . 68 PRO HG2 . 6730 1 708 . 1 1 68 68 PRO HG3 H 1 1.579 0.000 . . . . . . 68 PRO HG3 . 6730 1 709 . 1 1 68 68 PRO HD2 H 1 4.195 0.000 . . . . . . 68 PRO HD2 . 6730 1 710 . 1 1 68 68 PRO HD3 H 1 3.527 0.000 . . . . . . 68 PRO HD3 . 6730 1 711 . 1 1 68 68 PRO C C 13 133.427 0.000 . . . . . . 68 PRO C . 6730 1 712 . 1 1 68 68 PRO CA C 13 61.071 0.044 . . . . . . 68 PRO CA . 6730 1 713 . 1 1 68 68 PRO CB C 13 31.826 0.048 . . . . . . 68 PRO CB . 6730 1 714 . 1 1 68 68 PRO CG C 13 26.112 0.089 . . . . . . 68 PRO CG . 6730 1 715 . 1 1 68 68 PRO CD C 13 49.484 0.003 . . . . . . 68 PRO CD . 6730 1 716 . 1 1 69 69 VAL H H 1 8.509 0.004 . . . . . . 69 VAL H . 6730 1 717 . 1 1 69 69 VAL HA H 1 4.546 0.011 . . . . . . 69 VAL HA . 6730 1 718 . 1 1 69 69 VAL HB H 1 2.472 0.006 . . . . . . 69 VAL HB . 6730 1 719 . 1 1 69 69 VAL HG11 H 1 1.000 0.002 . . . . . . 69 VAL HG1 . 6730 1 720 . 1 1 69 69 VAL HG12 H 1 1.000 0.002 . . . . . . 69 VAL HG1 . 6730 1 721 . 1 1 69 69 VAL HG13 H 1 1.000 0.002 . . . . . . 69 VAL HG1 . 6730 1 722 . 1 1 69 69 VAL HG21 H 1 0.998 0.000 . . . . . . 69 VAL HG2 . 6730 1 723 . 1 1 69 69 VAL HG22 H 1 0.998 0.000 . . . . . . 69 VAL HG2 . 6730 1 724 . 1 1 69 69 VAL HG23 H 1 0.998 0.000 . . . . . . 69 VAL HG2 . 6730 1 725 . 1 1 69 69 VAL C C 13 131.215 0.000 . . . . . . 69 VAL C . 6730 1 726 . 1 1 69 69 VAL CA C 13 61.093 0.042 . . . . . . 69 VAL CA . 6730 1 727 . 1 1 69 69 VAL CB C 13 31.736 0.070 . . . . . . 69 VAL CB . 6730 1 728 . 1 1 69 69 VAL CG1 C 13 20.593 0.009 . . . . . . 69 VAL CG1 . 6730 1 729 . 1 1 69 69 VAL CG2 C 13 18.546 0.100 . . . . . . 69 VAL CG2 . 6730 1 730 . 1 1 69 69 VAL N N 15 115.010 0.033 . . . . . . 69 VAL N . 6730 1 731 . 1 1 70 70 LEU H H 1 7.014 0.004 . . . . . . 70 LEU H . 6730 1 732 . 1 1 70 70 LEU HA H 1 4.970 0.001 . . . . . . 70 LEU HA . 6730 1 733 . 1 1 70 70 LEU HB2 H 1 1.658 0.000 . . . . . . 70 LEU HB2 . 6730 1 734 . 1 1 70 70 LEU HB3 H 1 1.385 0.000 . . . . . . 70 LEU HB3 . 6730 1 735 . 1 1 70 70 LEU HG H 1 1.709 0.000 . . . . . . 70 LEU HG . 6730 1 736 . 1 1 70 70 LEU HD11 H 1 0.990 0.000 . . . . . . 70 LEU HD1 . 6730 1 737 . 1 1 70 70 LEU HD12 H 1 0.990 0.000 . . . . . . 70 LEU HD1 . 6730 1 738 . 1 1 70 70 LEU HD13 H 1 0.990 0.000 . . . . . . 70 LEU HD1 . 6730 1 739 . 1 1 70 70 LEU HD21 H 1 1.106 0.000 . . . . . . 70 LEU HD2 . 6730 1 740 . 1 1 70 70 LEU HD22 H 1 1.106 0.000 . . . . . . 70 LEU HD2 . 6730 1 741 . 1 1 70 70 LEU HD23 H 1 1.106 0.000 . . . . . . 70 LEU HD2 . 6730 1 742 . 1 1 70 70 LEU CA C 13 51.277 0.025 . . . . . . 70 LEU CA . 6730 1 743 . 1 1 70 70 LEU CB C 13 45.179 0.003 . . . . . . 70 LEU CB . 6730 1 744 . 1 1 70 70 LEU CG C 13 26.659 0.000 . . . . . . 70 LEU CG . 6730 1 745 . 1 1 70 70 LEU CD1 C 13 24.858 0.000 . . . . . . 70 LEU CD1 . 6730 1 746 . 1 1 70 70 LEU CD2 C 13 22.904 0.000 . . . . . . 70 LEU CD2 . 6730 1 747 . 1 1 70 70 LEU N N 15 119.403 0.037 . . . . . . 70 LEU N . 6730 1 748 . 1 1 71 71 PRO HA H 1 4.365 0.000 . . . . . . 71 PRO HA . 6730 1 749 . 1 1 71 71 PRO HB2 H 1 2.232 0.000 . . . . . . 71 PRO HB2 . 6730 1 750 . 1 1 71 71 PRO HB3 H 1 2.163 0.000 . . . . . . 71 PRO HB3 . 6730 1 751 . 1 1 71 71 PRO HG2 H 1 2.153 0.000 . . . . . . 71 PRO HG2 . 6730 1 752 . 1 1 71 71 PRO HG3 H 1 2.004 0.000 . . . . . . 71 PRO HG3 . 6730 1 753 . 1 1 71 71 PRO HD2 H 1 3.855 0.000 . . . . . . 71 PRO HD2 . 6730 1 754 . 1 1 71 71 PRO HD3 H 1 3.749 0.000 . . . . . . 71 PRO HD3 . 6730 1 755 . 1 1 71 71 PRO C C 13 130.307 0.000 . . . . . . 71 PRO C . 6730 1 756 . 1 1 71 71 PRO CA C 13 62.108 0.053 . . . . . . 71 PRO CA . 6730 1 757 . 1 1 71 71 PRO CB C 13 31.855 0.020 . . . . . . 71 PRO CB . 6730 1 758 . 1 1 71 71 PRO CG C 13 26.263 0.084 . . . . . . 71 PRO CG . 6730 1 759 . 1 1 71 71 PRO CD C 13 50.142 0.053 . . . . . . 71 PRO CD . 6730 1 760 . 1 1 72 72 GLY H H 1 8.880 0.003 . . . . . . 72 GLY H . 6730 1 761 . 1 1 72 72 GLY HA2 H 1 4.497 0.010 . . . . . . 72 GLY HA2 . 6730 1 762 . 1 1 72 72 GLY HA3 H 1 3.870 0.013 . . . . . . 72 GLY HA3 . 6730 1 763 . 1 1 72 72 GLY C C 13 127.649 0.000 . . . . . . 72 GLY C . 6730 1 764 . 1 1 72 72 GLY CA C 13 43.654 0.038 . . . . . . 72 GLY CA . 6730 1 765 . 1 1 72 72 GLY N N 15 106.428 0.037 . . . . . . 72 GLY N . 6730 1 766 . 1 1 73 73 ASP H H 1 8.400 0.003 . . . . . . 73 ASP H . 6730 1 767 . 1 1 73 73 ASP HA H 1 5.659 0.000 . . . . . . 73 ASP HA . 6730 1 768 . 1 1 73 73 ASP HB2 H 1 2.487 0.007 . . . . . . 73 ASP HB2 . 6730 1 769 . 1 1 73 73 ASP HB3 H 1 2.348 0.023 . . . . . . 73 ASP HB3 . 6730 1 770 . 1 1 73 73 ASP C C 13 131.836 0.000 . . . . . . 73 ASP C . 6730 1 771 . 1 1 73 73 ASP CA C 13 52.951 0.028 . . . . . . 73 ASP CA . 6730 1 772 . 1 1 73 73 ASP CB C 13 40.498 0.157 . . . . . . 73 ASP CB . 6730 1 773 . 1 1 73 73 ASP N N 15 120.992 0.030 . . . . . . 73 ASP N . 6730 1 774 . 1 1 74 74 TYR H H 1 9.672 0.003 . . . . . . 74 TYR H . 6730 1 775 . 1 1 74 74 TYR HA H 1 4.843 0.006 . . . . . . 74 TYR HA . 6730 1 776 . 1 1 74 74 TYR HB2 H 1 2.870 0.000 . . . . . . 74 TYR HB2 . 6730 1 777 . 1 1 74 74 TYR HB3 H 1 2.508 0.008 . . . . . . 74 TYR HB3 . 6730 1 778 . 1 1 74 74 TYR HD1 H 1 7.161 0.001 . . . . . . 74 TYR HD1 . 6730 1 779 . 1 1 74 74 TYR HE1 H 1 6.936 0.002 . . . . . . 74 TYR HE1 . 6730 1 780 . 1 1 74 74 TYR HH H 1 10.150 0.000 . . . . . . 74 TYR HH . 6730 1 781 . 1 1 74 74 TYR C C 13 130.599 0.000 . . . . . . 74 TYR C . 6730 1 782 . 1 1 74 74 TYR CA C 13 56.077 0.070 . . . . . . 74 TYR CA . 6730 1 783 . 1 1 74 74 TYR CB C 13 39.419 0.066 . . . . . . 74 TYR CB . 6730 1 784 . 1 1 74 74 TYR CD1 C 13 57.910 0.000 . . . . . . 74 TYR CD1 . 6730 1 785 . 1 1 74 74 TYR CE1 C 13 40.435 0.000 . . . . . . 74 TYR CE1 . 6730 1 786 . 1 1 74 74 TYR N N 15 124.339 0.035 . . . . . . 74 TYR N . 6730 1 787 . 1 1 75 75 SER H H 1 9.270 0.003 . . . . . . 75 SER H . 6730 1 788 . 1 1 75 75 SER HA H 1 5.427 0.010 . . . . . . 75 SER HA . 6730 1 789 . 1 1 75 75 SER HB2 H 1 3.771 0.010 . . . . . . 75 SER HB2 . 6730 1 790 . 1 1 75 75 SER HG H 1 9.514 0.000 . . . . . . 75 SER HG . 6730 1 791 . 1 1 75 75 SER C C 13 129.645 0.000 . . . . . . 75 SER C . 6730 1 792 . 1 1 75 75 SER CA C 13 56.057 0.038 . . . . . . 75 SER CA . 6730 1 793 . 1 1 75 75 SER CB C 13 63.718 0.050 . . . . . . 75 SER CB . 6730 1 794 . 1 1 75 75 SER N N 15 118.629 0.032 . . . . . . 75 SER N . 6730 1 795 . 1 1 76 76 ILE H H 1 9.545 0.004 . . . . . . 76 ILE H . 6730 1 796 . 1 1 76 76 ILE HA H 1 4.556 0.003 . . . . . . 76 ILE HA . 6730 1 797 . 1 1 76 76 ILE HB H 1 1.861 0.000 . . . . . . 76 ILE HB . 6730 1 798 . 1 1 76 76 ILE HG12 H 1 1.301 0.000 . . . . . . 76 ILE HG12 . 6730 1 799 . 1 1 76 76 ILE HG13 H 1 0.673 0.001 . . . . . . 76 ILE HG13 . 6730 1 800 . 1 1 76 76 ILE HG21 H 1 0.577 0.001 . . . . . . 76 ILE QG2 . 6730 1 801 . 1 1 76 76 ILE HG22 H 1 0.577 0.001 . . . . . . 76 ILE QG2 . 6730 1 802 . 1 1 76 76 ILE HG23 H 1 0.577 0.001 . . . . . . 76 ILE QG2 . 6730 1 803 . 1 1 76 76 ILE HD11 H 1 0.606 0.008 . . . . . . 76 ILE HD1 . 6730 1 804 . 1 1 76 76 ILE HD12 H 1 0.606 0.008 . . . . . . 76 ILE HD1 . 6730 1 805 . 1 1 76 76 ILE HD13 H 1 0.606 0.008 . . . . . . 76 ILE HD1 . 6730 1 806 . 1 1 76 76 ILE C C 13 130.509 0.000 . . . . . . 76 ILE C . 6730 1 807 . 1 1 76 76 ILE CA C 13 60.311 0.024 . . . . . . 76 ILE CA . 6730 1 808 . 1 1 76 76 ILE CB C 13 38.694 0.023 . . . . . . 76 ILE CB . 6730 1 809 . 1 1 76 76 ILE CG1 C 13 26.994 0.059 . . . . . . 76 ILE CG1 . 6730 1 810 . 1 1 76 76 ILE CG2 C 13 17.105 0.057 . . . . . . 76 ILE CG2 . 6730 1 811 . 1 1 76 76 ILE CD1 C 13 14.569 0.003 . . . . . . 76 ILE CD1 . 6730 1 812 . 1 1 76 76 ILE N N 15 127.696 0.035 . . . . . . 76 ILE N . 6730 1 813 . 1 1 77 77 LEU H H 1 9.428 0.005 . . . . . . 77 LEU H . 6730 1 814 . 1 1 77 77 LEU HA H 1 4.802 0.000 . . . . . . 77 LEU HA . 6730 1 815 . 1 1 77 77 LEU HB2 H 1 1.906 0.015 . . . . . . 77 LEU HB2 . 6730 1 816 . 1 1 77 77 LEU HB3 H 1 1.377 0.005 . . . . . . 77 LEU HB3 . 6730 1 817 . 1 1 77 77 LEU HG H 1 1.682 0.001 . . . . . . 77 LEU HG . 6730 1 818 . 1 1 77 77 LEU HD11 H 1 0.935 0.000 . . . . . . 77 LEU HD1 . 6730 1 819 . 1 1 77 77 LEU HD12 H 1 0.935 0.000 . . . . . . 77 LEU HD1 . 6730 1 820 . 1 1 77 77 LEU HD13 H 1 0.935 0.000 . . . . . . 77 LEU HD1 . 6730 1 821 . 1 1 77 77 LEU HD21 H 1 0.892 0.006 . . . . . . 77 LEU HD2 . 6730 1 822 . 1 1 77 77 LEU HD22 H 1 0.892 0.006 . . . . . . 77 LEU HD2 . 6730 1 823 . 1 1 77 77 LEU HD23 H 1 0.892 0.006 . . . . . . 77 LEU HD2 . 6730 1 824 . 1 1 77 77 LEU C C 13 131.717 0.000 . . . . . . 77 LEU C . 6730 1 825 . 1 1 77 77 LEU CA C 13 55.038 0.036 . . . . . . 77 LEU CA . 6730 1 826 . 1 1 77 77 LEU CB C 13 41.775 0.046 . . . . . . 77 LEU CB . 6730 1 827 . 1 1 77 77 LEU CG C 13 29.557 0.000 . . . . . . 77 LEU CG . 6730 1 828 . 1 1 77 77 LEU CD1 C 13 26.331 0.000 . . . . . . 77 LEU CD1 . 6730 1 829 . 1 1 77 77 LEU CD2 C 13 24.102 0.069 . . . . . . 77 LEU CD2 . 6730 1 830 . 1 1 77 77 LEU N N 15 130.103 0.039 . . . . . . 77 LEU N . 6730 1 831 . 1 1 78 78 VAL H H 1 9.422 0.006 . . . . . . 78 VAL H . 6730 1 832 . 1 1 78 78 VAL HA H 1 4.699 0.012 . . . . . . 78 VAL HA . 6730 1 833 . 1 1 78 78 VAL HB H 1 2.326 0.005 . . . . . . 78 VAL HB . 6730 1 834 . 1 1 78 78 VAL HG11 H 1 0.966 0.001 . . . . . . 78 VAL HG1 . 6730 1 835 . 1 1 78 78 VAL HG12 H 1 0.966 0.001 . . . . . . 78 VAL HG1 . 6730 1 836 . 1 1 78 78 VAL HG13 H 1 0.966 0.001 . . . . . . 78 VAL HG1 . 6730 1 837 . 1 1 78 78 VAL HG21 H 1 0.960 0.001 . . . . . . 78 VAL HG2 . 6730 1 838 . 1 1 78 78 VAL HG22 H 1 0.960 0.001 . . . . . . 78 VAL HG2 . 6730 1 839 . 1 1 78 78 VAL HG23 H 1 0.960 0.001 . . . . . . 78 VAL HG2 . 6730 1 840 . 1 1 78 78 VAL CA C 13 60.718 0.061 . . . . . . 78 VAL CA . 6730 1 841 . 1 1 78 78 VAL CB C 13 32.714 0.056 . . . . . . 78 VAL CB . 6730 1 842 . 1 1 78 78 VAL CG1 C 13 21.188 0.048 . . . . . . 78 VAL CG1 . 6730 1 843 . 1 1 78 78 VAL CG2 C 13 20.100 0.000 . . . . . . 78 VAL CG2 . 6730 1 844 . 1 1 78 78 VAL N N 15 126.548 0.037 . . . . . . 78 VAL N . 6730 1 845 . 1 1 79 79 LYS H H 1 8.733 0.005 . . . . . . 79 LYS H . 6730 1 846 . 1 1 79 79 LYS HA H 1 5.173 0.000 . . . . . . 79 LYS HA . 6730 1 847 . 1 1 79 79 LYS HB2 H 1 1.590 0.000 . . . . . . 79 LYS HB2 . 6730 1 848 . 1 1 79 79 LYS HB3 H 1 1.015 0.000 . . . . . . 79 LYS HB3 . 6730 1 849 . 1 1 79 79 LYS HG2 H 1 0.916 0.000 . . . . . . 79 LYS HG2 . 6730 1 850 . 1 1 79 79 LYS HG3 H 1 0.274 0.005 . . . . . . 79 LYS HG3 . 6730 1 851 . 1 1 79 79 LYS HD2 H 1 1.153 0.005 . . . . . . 79 LYS HD2 . 6730 1 852 . 1 1 79 79 LYS HD3 H 1 0.970 0.002 . . . . . . 79 LYS HD3 . 6730 1 853 . 1 1 79 79 LYS HE2 H 1 2.184 0.004 . . . . . . 79 LYS HE2 . 6730 1 854 . 1 1 79 79 LYS HE3 H 1 2.026 0.005 . . . . . . 79 LYS HE3 . 6730 1 855 . 1 1 79 79 LYS C C 13 130.559 0.000 . . . . . . 79 LYS C . 6730 1 856 . 1 1 79 79 LYS CA C 13 53.247 0.030 . . . . . . 79 LYS CA . 6730 1 857 . 1 1 79 79 LYS CB C 13 36.305 0.018 . . . . . . 79 LYS CB . 6730 1 858 . 1 1 79 79 LYS CG C 13 23.761 0.052 . . . . . . 79 LYS CG . 6730 1 859 . 1 1 79 79 LYS CD C 13 29.016 0.051 . . . . . . 79 LYS CD . 6730 1 860 . 1 1 79 79 LYS CE C 13 40.665 0.001 . . . . . . 79 LYS CE . 6730 1 861 . 1 1 79 79 LYS N N 15 123.939 0.022 . . . . . . 79 LYS N . 6730 1 862 . 1 1 80 80 TYR H H 1 8.971 0.008 . . . . . . 80 TYR H . 6730 1 863 . 1 1 80 80 TYR HA H 1 5.201 0.006 . . . . . . 80 TYR HA . 6730 1 864 . 1 1 80 80 TYR HB2 H 1 3.097 0.000 . . . . . . 80 TYR HB2 . 6730 1 865 . 1 1 80 80 TYR HB3 H 1 2.448 0.000 . . . . . . 80 TYR HB3 . 6730 1 866 . 1 1 80 80 TYR HD1 H 1 6.868 0.001 . . . . . . 80 TYR HD1 . 6730 1 867 . 1 1 80 80 TYR HE1 H 1 6.636 0.002 . . . . . . 80 TYR HE1 . 6730 1 868 . 1 1 80 80 TYR HH H 1 8.255 0.000 . . . . . . 80 TYR HH . 6730 1 869 . 1 1 80 80 TYR C C 13 133.098 0.000 . . . . . . 80 TYR C . 6730 1 870 . 1 1 80 80 TYR CA C 13 56.234 0.081 . . . . . . 80 TYR CA . 6730 1 871 . 1 1 80 80 TYR CB C 13 41.646 0.056 . . . . . . 80 TYR CB . 6730 1 872 . 1 1 80 80 TYR CD1 C 13 56.544 0.000 . . . . . . 80 TYR CD1 . 6730 1 873 . 1 1 80 80 TYR CE1 C 13 42.303 0.000 . . . . . . 80 TYR CE1 . 6730 1 874 . 1 1 80 80 TYR N N 15 121.389 0.061 . . . . . . 80 TYR N . 6730 1 875 . 1 1 81 81 ASN H H 1 8.929 0.004 . . . . . . 81 ASN H . 6730 1 876 . 1 1 81 81 ASN HA H 1 4.490 0.012 . . . . . . 81 ASN HA . 6730 1 877 . 1 1 81 81 ASN HB2 H 1 3.210 0.007 . . . . . . 81 ASN HB2 . 6730 1 878 . 1 1 81 81 ASN HB3 H 1 2.740 0.009 . . . . . . 81 ASN HB3 . 6730 1 879 . 1 1 81 81 ASN HD21 H 1 7.601 0.000 . . . . . . 81 ASN HD21 . 6730 1 880 . 1 1 81 81 ASN HD22 H 1 6.916 0.000 . . . . . . 81 ASN HD22 . 6730 1 881 . 1 1 81 81 ASN C C 13 130.865 0.000 . . . . . . 81 ASN C . 6730 1 882 . 1 1 81 81 ASN CA C 13 53.828 0.021 . . . . . . 81 ASN CA . 6730 1 883 . 1 1 81 81 ASN CB C 13 36.405 0.013 . . . . . . 81 ASN CB . 6730 1 884 . 1 1 81 81 ASN N N 15 128.952 0.032 . . . . . . 81 ASN N . 6730 1 885 . 1 1 81 81 ASN ND2 N 15 111.774 0.001 . . . . . . 81 ASN ND2 . 6730 1 886 . 1 1 82 82 GLU H H 1 8.939 0.006 . . . . . . 82 GLU H . 6730 1 887 . 1 1 82 82 GLU HA H 1 3.543 0.013 . . . . . . 82 GLU HA . 6730 1 888 . 1 1 82 82 GLU HB2 H 1 2.258 0.010 . . . . . . 82 GLU HB2 . 6730 1 889 . 1 1 82 82 GLU HG2 H 1 2.071 0.003 . . . . . . 82 GLU HG2 . 6730 1 890 . 1 1 82 82 GLU C C 13 130.807 0.000 . . . . . . 82 GLU C . 6730 1 891 . 1 1 82 82 GLU CA C 13 57.127 0.056 . . . . . . 82 GLU CA . 6730 1 892 . 1 1 82 82 GLU CB C 13 26.357 0.051 . . . . . . 82 GLU CB . 6730 1 893 . 1 1 82 82 GLU CG C 13 35.452 0.069 . . . . . . 82 GLU CG . 6730 1 894 . 1 1 82 82 GLU N N 15 106.873 0.040 . . . . . . 82 GLU N . 6730 1 895 . 1 1 83 83 GLN H H 1 7.629 0.004 . . . . . . 83 GLN H . 6730 1 896 . 1 1 83 83 GLN HA H 1 4.797 0.000 . . . . . . 83 GLN HA . 6730 1 897 . 1 1 83 83 GLN HB2 H 1 2.259 0.000 . . . . . . 83 GLN HB2 . 6730 1 898 . 1 1 83 83 GLN HB3 H 1 2.097 0.000 . . . . . . 83 GLN HB3 . 6730 1 899 . 1 1 83 83 GLN HG2 H 1 2.517 0.005 . . . . . . 83 GLN HG2 . 6730 1 900 . 1 1 83 83 GLN HG3 H 1 2.490 0.023 . . . . . . 83 GLN HG3 . 6730 1 901 . 1 1 83 83 GLN C C 13 132.272 0.000 . . . . . . 83 GLN C . 6730 1 902 . 1 1 83 83 GLN CA C 13 53.014 0.039 . . . . . . 83 GLN CA . 6730 1 903 . 1 1 83 83 GLN CB C 13 30.339 0.053 . . . . . . 83 GLN CB . 6730 1 904 . 1 1 83 83 GLN CG C 13 32.579 0.067 . . . . . . 83 GLN CG . 6730 1 905 . 1 1 83 83 GLN N N 15 118.987 0.057 . . . . . . 83 GLN N . 6730 1 906 . 1 1 84 84 HIS H H 1 8.966 0.006 . . . . . . 84 HIS H . 6730 1 907 . 1 1 84 84 HIS HA H 1 4.565 0.007 . . . . . . 84 HIS HA . 6730 1 908 . 1 1 84 84 HIS HB2 H 1 3.229 0.000 . . . . . . 84 HIS HB2 . 6730 1 909 . 1 1 84 84 HIS HB3 H 1 2.931 0.004 . . . . . . 84 HIS HB3 . 6730 1 910 . 1 1 84 84 HIS HD2 H 1 7.234 0.002 . . . . . . 84 HIS HD2 . 6730 1 911 . 1 1 84 84 HIS HE1 H 1 7.343 0.001 . . . . . . 84 HIS HE1 . 6730 1 912 . 1 1 84 84 HIS C C 13 133.598 0.000 . . . . . . 84 HIS C . 6730 1 913 . 1 1 84 84 HIS CA C 13 58.267 0.042 . . . . . . 84 HIS CA . 6730 1 914 . 1 1 84 84 HIS CB C 13 31.398 0.050 . . . . . . 84 HIS CB . 6730 1 915 . 1 1 84 84 HIS CD2 C 13 42.448 0.000 . . . . . . 84 HIS CD2 . 6730 1 916 . 1 1 84 84 HIS CE1 C 13 60.424 0.000 . . . . . . 84 HIS CE1 . 6730 1 917 . 1 1 84 84 HIS N N 15 125.074 0.024 . . . . . . 84 HIS N . 6730 1 918 . 1 1 85 85 VAL H H 1 8.621 0.008 . . . . . . 85 VAL H . 6730 1 919 . 1 1 85 85 VAL HA H 1 4.740 0.000 . . . . . . 85 VAL HA . 6730 1 920 . 1 1 85 85 VAL HB H 1 2.700 0.008 . . . . . . 85 VAL HB . 6730 1 921 . 1 1 85 85 VAL HG11 H 1 1.105 0.002 . . . . . . 85 VAL HG1 . 6730 1 922 . 1 1 85 85 VAL HG12 H 1 1.105 0.002 . . . . . . 85 VAL HG1 . 6730 1 923 . 1 1 85 85 VAL HG13 H 1 1.105 0.002 . . . . . . 85 VAL HG1 . 6730 1 924 . 1 1 85 85 VAL HG21 H 1 1.022 0.002 . . . . . . 85 VAL HG2 . 6730 1 925 . 1 1 85 85 VAL HG22 H 1 1.022 0.002 . . . . . . 85 VAL HG2 . 6730 1 926 . 1 1 85 85 VAL HG23 H 1 1.022 0.002 . . . . . . 85 VAL HG2 . 6730 1 927 . 1 1 85 85 VAL CA C 13 59.348 0.016 . . . . . . 85 VAL CA . 6730 1 928 . 1 1 85 85 VAL CB C 13 28.506 0.024 . . . . . . 85 VAL CB . 6730 1 929 . 1 1 85 85 VAL CG1 C 13 18.029 0.000 . . . . . . 85 VAL CG1 . 6730 1 930 . 1 1 85 85 VAL CG2 C 13 20.915 0.000 . . . . . . 85 VAL CG2 . 6730 1 931 . 1 1 85 85 VAL N N 15 120.613 0.041 . . . . . . 85 VAL N . 6730 1 932 . 1 1 86 86 PRO HA H 1 4.313 0.000 . . . . . . 86 PRO HA . 6730 1 933 . 1 1 86 86 PRO HB2 H 1 2.373 0.014 . . . . . . 86 PRO HB2 . 6730 1 934 . 1 1 86 86 PRO HB3 H 1 2.075 0.009 . . . . . . 86 PRO HB3 . 6730 1 935 . 1 1 86 86 PRO HG2 H 1 2.149 0.000 . . . . . . 86 PRO HG2 . 6730 1 936 . 1 1 86 86 PRO HG3 H 1 2.049 0.000 . . . . . . 86 PRO HG3 . 6730 1 937 . 1 1 86 86 PRO HD2 H 1 4.070 0.000 . . . . . . 86 PRO HD2 . 6730 1 938 . 1 1 86 86 PRO HD3 H 1 3.966 0.000 . . . . . . 86 PRO HD3 . 6730 1 939 . 1 1 86 86 PRO C C 13 133.279 0.000 . . . . . . 86 PRO C . 6730 1 940 . 1 1 86 86 PRO CA C 13 64.676 0.069 . . . . . . 86 PRO CA . 6730 1 941 . 1 1 86 86 PRO CB C 13 30.498 0.089 . . . . . . 86 PRO CB . 6730 1 942 . 1 1 86 86 PRO CG C 13 27.628 0.021 . . . . . . 86 PRO CG . 6730 1 943 . 1 1 86 86 PRO CD C 13 49.866 0.047 . . . . . . 86 PRO CD . 6730 1 944 . 1 1 87 87 GLY H H 1 8.388 0.005 . . . . . . 87 GLY H . 6730 1 945 . 1 1 87 87 GLY HA2 H 1 4.230 0.003 . . . . . . 87 GLY HA2 . 6730 1 946 . 1 1 87 87 GLY HA3 H 1 3.214 0.004 . . . . . . 87 GLY HA3 . 6730 1 947 . 1 1 87 87 GLY C C 13 128.098 0.000 . . . . . . 87 GLY C . 6730 1 948 . 1 1 87 87 GLY CA C 13 44.120 0.058 . . . . . . 87 GLY CA . 6730 1 949 . 1 1 87 87 GLY N N 15 115.035 0.040 . . . . . . 87 GLY N . 6730 1 950 . 1 1 88 88 SER H H 1 7.802 0.003 . . . . . . 88 SER H . 6730 1 951 . 1 1 88 88 SER HA H 1 4.134 0.001 . . . . . . 88 SER HA . 6730 1 952 . 1 1 88 88 SER HB2 H 1 4.507 0.000 . . . . . . 88 SER HB2 . 6730 1 953 . 1 1 88 88 SER HB3 H 1 3.803 0.000 . . . . . . 88 SER HB3 . 6730 1 954 . 1 1 88 88 SER CA C 13 54.164 0.014 . . . . . . 88 SER CA . 6730 1 955 . 1 1 88 88 SER CB C 13 61.790 0.039 . . . . . . 88 SER CB . 6730 1 956 . 1 1 88 88 SER N N 15 113.476 0.039 . . . . . . 88 SER N . 6730 1 957 . 1 1 89 89 PRO HA H 1 5.394 0.006 . . . . . . 89 PRO HA . 6730 1 958 . 1 1 89 89 PRO HB2 H 1 2.002 0.000 . . . . . . 89 PRO HB2 . 6730 1 959 . 1 1 89 89 PRO HB3 H 1 1.959 0.000 . . . . . . 89 PRO HB3 . 6730 1 960 . 1 1 89 89 PRO HG2 H 1 1.935 0.007 . . . . . . 89 PRO HG2 . 6730 1 961 . 1 1 89 89 PRO HG3 H 1 1.727 0.000 . . . . . . 89 PRO HG3 . 6730 1 962 . 1 1 89 89 PRO HD2 H 1 3.272 0.004 . . . . . . 89 PRO HD2 . 6730 1 963 . 1 1 89 89 PRO HD3 H 1 2.473 0.006 . . . . . . 89 PRO HD3 . 6730 1 964 . 1 1 89 89 PRO C C 13 132.448 0.000 . . . . . . 89 PRO C . 6730 1 965 . 1 1 89 89 PRO CA C 13 61.619 0.046 . . . . . . 89 PRO CA . 6730 1 966 . 1 1 89 89 PRO CB C 13 33.214 0.059 . . . . . . 89 PRO CB . 6730 1 967 . 1 1 89 89 PRO CG C 13 24.360 0.085 . . . . . . 89 PRO CG . 6730 1 968 . 1 1 89 89 PRO CD C 13 49.377 0.002 . . . . . . 89 PRO CD . 6730 1 969 . 1 1 90 90 PHE H H 1 9.470 0.003 . . . . . . 90 PHE H . 6730 1 970 . 1 1 90 90 PHE HA H 1 4.614 0.010 . . . . . . 90 PHE HA . 6730 1 971 . 1 1 90 90 PHE HB2 H 1 3.478 0.009 . . . . . . 90 PHE HB2 . 6730 1 972 . 1 1 90 90 PHE HB3 H 1 2.854 0.000 . . . . . . 90 PHE HB3 . 6730 1 973 . 1 1 90 90 PHE HD1 H 1 7.292 0.002 . . . . . . 90 PHE HD1 . 6730 1 974 . 1 1 90 90 PHE HE1 H 1 7.123 0.000 . . . . . . 90 PHE HE1 . 6730 1 975 . 1 1 90 90 PHE HZ H 1 7.337 0.007 . . . . . . 90 PHE HZ . 6730 1 976 . 1 1 90 90 PHE C C 13 132.243 0.000 . . . . . . 90 PHE C . 6730 1 977 . 1 1 90 90 PHE CA C 13 56.855 0.017 . . . . . . 90 PHE CA . 6730 1 978 . 1 1 90 90 PHE CB C 13 40.024 0.059 . . . . . . 90 PHE CB . 6730 1 979 . 1 1 90 90 PHE CD1 C 13 57.054 0.000 . . . . . . 90 PHE CD1 . 6730 1 980 . 1 1 90 90 PHE CE1 C 13 54.316 0.000 . . . . . . 90 PHE CE1 . 6730 1 981 . 1 1 90 90 PHE CZ C 13 54.131 0.000 . . . . . . 90 PHE CZ . 6730 1 982 . 1 1 90 90 PHE N N 15 126.666 0.056 . . . . . . 90 PHE N . 6730 1 983 . 1 1 91 91 THR H H 1 8.813 0.014 . . . . . . 91 THR H . 6730 1 984 . 1 1 91 91 THR HA H 1 5.184 0.016 . . . . . . 91 THR HA . 6730 1 985 . 1 1 91 91 THR HB H 1 4.071 0.014 . . . . . . 91 THR HB . 6730 1 986 . 1 1 91 91 THR HG21 H 1 1.085 0.000 . . . . . . 91 THR HG2 . 6730 1 987 . 1 1 91 91 THR HG22 H 1 1.085 0.000 . . . . . . 91 THR HG2 . 6730 1 988 . 1 1 91 91 THR HG23 H 1 1.085 0.000 . . . . . . 91 THR HG2 . 6730 1 989 . 1 1 91 91 THR C C 13 128.488 0.000 . . . . . . 91 THR C . 6730 1 990 . 1 1 91 91 THR CA C 13 61.529 0.043 . . . . . . 91 THR CA . 6730 1 991 . 1 1 91 91 THR CB C 13 69.447 0.060 . . . . . . 91 THR CB . 6730 1 992 . 1 1 91 91 THR CG2 C 13 20.134 0.000 . . . . . . 91 THR CG2 . 6730 1 993 . 1 1 91 91 THR N N 15 118.455 0.032 . . . . . . 91 THR N . 6730 1 994 . 1 1 92 92 ALA H H 1 9.376 0.004 . . . . . . 92 ALA H . 6730 1 995 . 1 1 92 92 ALA HA H 1 4.492 0.007 . . . . . . 92 ALA HA . 6730 1 996 . 1 1 92 92 ALA HB1 H 1 1.079 0.001 . . . . . . 92 ALA HB . 6730 1 997 . 1 1 92 92 ALA HB2 H 1 1.079 0.001 . . . . . . 92 ALA HB . 6730 1 998 . 1 1 92 92 ALA HB3 H 1 1.079 0.001 . . . . . . 92 ALA HB . 6730 1 999 . 1 1 92 92 ALA C C 13 131.972 0.000 . . . . . . 92 ALA C . 6730 1 1000 . 1 1 92 92 ALA CA C 13 49.310 0.050 . . . . . . 92 ALA CA . 6730 1 1001 . 1 1 92 92 ALA CB C 13 20.721 0.044 . . . . . . 92 ALA CB . 6730 1 1002 . 1 1 92 92 ALA N N 15 131.164 0.036 . . . . . . 92 ALA N . 6730 1 1003 . 1 1 93 93 ARG H H 1 7.711 0.003 . . . . . . 93 ARG H . 6730 1 1004 . 1 1 93 93 ARG HA H 1 5.057 0.006 . . . . . . 93 ARG HA . 6730 1 1005 . 1 1 93 93 ARG HB2 H 1 2.036 0.000 . . . . . . 93 ARG HB2 . 6730 1 1006 . 1 1 93 93 ARG HB3 H 1 1.937 0.003 . . . . . . 93 ARG HB3 . 6730 1 1007 . 1 1 93 93 ARG HG2 H 1 1.710 0.002 . . . . . . 93 ARG HG2 . 6730 1 1008 . 1 1 93 93 ARG HG3 H 1 1.619 0.003 . . . . . . 93 ARG HG3 . 6730 1 1009 . 1 1 93 93 ARG HD2 H 1 3.285 0.008 . . . . . . 93 ARG HD2 . 6730 1 1010 . 1 1 93 93 ARG HE H 1 8.095 0.002 . . . . . . 93 ARG HE . 6730 1 1011 . 1 1 93 93 ARG C C 13 131.681 0.000 . . . . . . 93 ARG C . 6730 1 1012 . 1 1 93 93 ARG CA C 13 54.776 0.046 . . . . . . 93 ARG CA . 6730 1 1013 . 1 1 93 93 ARG CB C 13 29.799 0.056 . . . . . . 93 ARG CB . 6730 1 1014 . 1 1 93 93 ARG CG C 13 26.468 0.057 . . . . . . 93 ARG CG . 6730 1 1015 . 1 1 93 93 ARG CD C 13 42.367 0.041 . . . . . . 93 ARG CD . 6730 1 1016 . 1 1 93 93 ARG CZ C 13 128.854 0.000 . . . . . . 93 ARG CZ . 6730 1 1017 . 1 1 93 93 ARG N N 15 123.181 0.036 . . . . . . 93 ARG N . 6730 1 1018 . 1 1 93 93 ARG NE N 15 116.675 0.039 . . . . . . 93 ARG NE . 6730 1 1019 . 1 1 94 94 VAL H H 1 9.577 0.004 . . . . . . 94 VAL H . 6730 1 1020 . 1 1 94 94 VAL HA H 1 4.792 0.000 . . . . . . 94 VAL HA . 6730 1 1021 . 1 1 94 94 VAL HB H 1 2.513 0.010 . . . . . . 94 VAL HB . 6730 1 1022 . 1 1 94 94 VAL HG11 H 1 0.717 0.000 . . . . . . 94 VAL HG1 . 6730 1 1023 . 1 1 94 94 VAL HG12 H 1 0.717 0.000 . . . . . . 94 VAL HG1 . 6730 1 1024 . 1 1 94 94 VAL HG13 H 1 0.717 0.000 . . . . . . 94 VAL HG1 . 6730 1 1025 . 1 1 94 94 VAL HG21 H 1 0.668 0.000 . . . . . . 94 VAL HG2 . 6730 1 1026 . 1 1 94 94 VAL HG22 H 1 0.668 0.000 . . . . . . 94 VAL HG2 . 6730 1 1027 . 1 1 94 94 VAL HG23 H 1 0.668 0.000 . . . . . . 94 VAL HG2 . 6730 1 1028 . 1 1 94 94 VAL C C 13 133.296 0.000 . . . . . . 94 VAL C . 6730 1 1029 . 1 1 94 94 VAL CA C 13 60.286 0.051 . . . . . . 94 VAL CA . 6730 1 1030 . 1 1 94 94 VAL CB C 13 31.343 0.094 . . . . . . 94 VAL CB . 6730 1 1031 . 1 1 94 94 VAL CG1 C 13 20.919 0.032 . . . . . . 94 VAL CG1 . 6730 1 1032 . 1 1 94 94 VAL CG2 C 13 21.260 0.000 . . . . . . 94 VAL CG2 . 6730 1 1033 . 1 1 94 94 VAL N N 15 130.643 0.034 . . . . . . 94 VAL N . 6730 1 1034 . 1 1 95 95 THR H H 1 8.723 0.004 . . . . . . 95 THR H . 6730 1 1035 . 1 1 95 95 THR HA H 1 4.833 0.000 . . . . . . 95 THR HA . 6730 1 1036 . 1 1 95 95 THR HB H 1 4.663 0.001 . . . . . . 95 THR HB . 6730 1 1037 . 1 1 95 95 THR HG21 H 1 1.415 0.010 . . . . . . 95 THR HG2 . 6730 1 1038 . 1 1 95 95 THR HG22 H 1 1.415 0.010 . . . . . . 95 THR HG2 . 6730 1 1039 . 1 1 95 95 THR HG23 H 1 1.415 0.010 . . . . . . 95 THR HG2 . 6730 1 1040 . 1 1 95 95 THR C C 13 130.167 0.000 . . . . . . 95 THR C . 6730 1 1041 . 1 1 95 95 THR CA C 13 59.762 0.049 . . . . . . 95 THR CA . 6730 1 1042 . 1 1 95 95 THR CB C 13 70.275 0.030 . . . . . . 95 THR CB . 6730 1 1043 . 1 1 95 95 THR CG2 C 13 20.956 0.096 . . . . . . 95 THR CG2 . 6730 1 1044 . 1 1 95 95 THR N N 15 121.293 0.042 . . . . . . 95 THR N . 6730 1 1045 . 1 1 96 96 GLY H H 1 8.784 0.003 . . . . . . 96 GLY H . 6730 1 1046 . 1 1 96 96 GLY HA2 H 1 4.338 0.010 . . . . . . 96 GLY HA2 . 6730 1 1047 . 1 1 96 96 GLY HA3 H 1 3.929 0.006 . . . . . . 96 GLY HA3 . 6730 1 1048 . 1 1 96 96 GLY C C 13 129.366 0.000 . . . . . . 96 GLY C . 6730 1 1049 . 1 1 96 96 GLY CA C 13 44.525 0.047 . . . . . . 96 GLY CA . 6730 1 1050 . 1 1 96 96 GLY N N 15 107.428 0.036 . . . . . . 96 GLY N . 6730 1 1051 . 1 1 97 97 ASP H H 1 8.413 0.003 . . . . . . 97 ASP H . 6730 1 1052 . 1 1 97 97 ASP HA H 1 4.764 0.000 . . . . . . 97 ASP HA . 6730 1 1053 . 1 1 97 97 ASP HB2 H 1 2.770 0.000 . . . . . . 97 ASP HB2 . 6730 1 1054 . 1 1 97 97 ASP HB3 H 1 2.611 0.000 . . . . . . 97 ASP HB3 . 6730 1 1055 . 1 1 97 97 ASP C C 13 130.921 0.000 . . . . . . 97 ASP C . 6730 1 1056 . 1 1 97 97 ASP CA C 13 53.149 0.041 . . . . . . 97 ASP CA . 6730 1 1057 . 1 1 97 97 ASP CB C 13 40.968 0.036 . . . . . . 97 ASP CB . 6730 1 1058 . 1 1 97 97 ASP N N 15 120.681 0.048 . . . . . . 97 ASP N . 6730 1 1059 . 1 1 98 98 ASP H H 1 8.119 0.003 . . . . . . 98 ASP H . 6730 1 1060 . 1 1 98 98 ASP HA H 1 4.407 0.000 . . . . . . 98 ASP HA . 6730 1 1061 . 1 1 98 98 ASP HB2 H 1 2.685 0.000 . . . . . . 98 ASP HB2 . 6730 1 1062 . 1 1 98 98 ASP HB3 H 1 2.602 0.000 . . . . . . 98 ASP HB3 . 6730 1 1063 . 1 1 98 98 ASP CA C 13 55.286 0.007 . . . . . . 98 ASP CA . 6730 1 1064 . 1 1 98 98 ASP CB C 13 41.719 0.000 . . . . . . 98 ASP CB . 6730 1 1065 . 1 1 98 98 ASP N N 15 125.950 0.039 . . . . . . 98 ASP N . 6730 1 stop_ save_