data_7247 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7247 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 . 'Structure analysis' . 7247 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7247 _Entry.Title ; Solution structure of a single chain diiron protein model ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-01 _Entry.Accession_date 2006-08-01 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _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 Weixia Liu . . . 7247 2 Jennifer Calhoun . R. . 7247 3 A. Wand . Joshua . 7247 4 William DeGrado . F. . 7247 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7247 coupling_constants 1 7247 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 531 7247 '15N chemical shifts' 129 7247 '1H chemical shifts' 775 7247 'coupling constants' 107 7247 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 . . 2008-08-13 2006-08-01 original author . 7247 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7247 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18275812 _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of a Designed Metalloprotein and Complementary Molecular Dynamics Refinement' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _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 210 _Citation.Page_last 215 _Citation.Year 2008 _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 Jennifer Calhoun . R. . 7247 1 2 Weixia Liu . . . 7247 1 3 Katrin Spiegel . . . 7247 1 4 Matteo 'Dal Peraro' . . . 7247 1 5 Michael Klein . L. . 7247 1 6 Kathleen Valentine . G. . 7247 1 7 A. Wand . Joshua . 7247 1 8 William DeGrado . F. . 7247 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7247 _Assembly.ID 1 _Assembly.Name 'di-Zn(II) DFsc' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'di-Zn(II) DFsc' 1 $Due_Ferri_single_chain . . yes folded no no . . . 7247 1 2 'ZINC (II) ION, 1' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 7247 1 3 'ZINC (II) ION, 2' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 7247 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Due_Ferri_single_chain _Entity.Sf_category entity _Entity.Sf_framecode Due_Ferri_single_chain _Entity.Entry_ID 7247 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Four-helix bundle model, DFsc' _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 ; MDELRELLKAEQQAIKIYKE VLKKAKEGDEQELARLIQEI VKAEKQAVKVYKEAAEKARN PEKRQVIDKILEDEEKHIEW LKAASKQGNAEQFASLVQQI LQDEQRHVEEIEKKN ; _Entity.Polymer_seq_one_letter_code ; MDELRELLKAEQQAIKIYKE VLKKAKEGDEQELARLIQEI VKAEKQAVKVYKEAAEKARN PEKRQVIDKILEDEEKHIEW LKAASKQGNAEQFASLVQQI LQDEQRHVEEIEKKN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2014-05-12 loop_ _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 no PDB 2HZ8 . "QmMM STRUCTURE REFINED FROM NMR-Structure Of A Single Chain Diiron Protein" . . . . . 100.00 115 100.00 100.00 1.45e-69 . . . . 7247 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'de novo protein' 7247 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 7247 1 2 . ASP . 7247 1 3 . GLU . 7247 1 4 . LEU . 7247 1 5 . ARG . 7247 1 6 . GLU . 7247 1 7 . LEU . 7247 1 8 . LEU . 7247 1 9 . LYS . 7247 1 10 . ALA . 7247 1 11 . GLU . 7247 1 12 . GLN . 7247 1 13 . GLN . 7247 1 14 . ALA . 7247 1 15 . ILE . 7247 1 16 . LYS . 7247 1 17 . ILE . 7247 1 18 . TYR . 7247 1 19 . LYS . 7247 1 20 . GLU . 7247 1 21 . VAL . 7247 1 22 . LEU . 7247 1 23 . LYS . 7247 1 24 . LYS . 7247 1 25 . ALA . 7247 1 26 . LYS . 7247 1 27 . GLU . 7247 1 28 . GLY . 7247 1 29 . ASP . 7247 1 30 . GLU . 7247 1 31 . GLN . 7247 1 32 . GLU . 7247 1 33 . LEU . 7247 1 34 . ALA . 7247 1 35 . ARG . 7247 1 36 . LEU . 7247 1 37 . ILE . 7247 1 38 . GLN . 7247 1 39 . GLU . 7247 1 40 . ILE . 7247 1 41 . VAL . 7247 1 42 . LYS . 7247 1 43 . ALA . 7247 1 44 . GLU . 7247 1 45 . LYS . 7247 1 46 . GLN . 7247 1 47 . ALA . 7247 1 48 . VAL . 7247 1 49 . LYS . 7247 1 50 . VAL . 7247 1 51 . TYR . 7247 1 52 . LYS . 7247 1 53 . GLU . 7247 1 54 . ALA . 7247 1 55 . ALA . 7247 1 56 . GLU . 7247 1 57 . LYS . 7247 1 58 . ALA . 7247 1 59 . ARG . 7247 1 60 . ASN . 7247 1 61 . PRO . 7247 1 62 . GLU . 7247 1 63 . LYS . 7247 1 64 . ARG . 7247 1 65 . GLN . 7247 1 66 . VAL . 7247 1 67 . ILE . 7247 1 68 . ASP . 7247 1 69 . LYS . 7247 1 70 . ILE . 7247 1 71 . LEU . 7247 1 72 . GLU . 7247 1 73 . ASP . 7247 1 74 . GLU . 7247 1 75 . GLU . 7247 1 76 . LYS . 7247 1 77 . HIS . 7247 1 78 . ILE . 7247 1 79 . GLU . 7247 1 80 . TRP . 7247 1 81 . LEU . 7247 1 82 . LYS . 7247 1 83 . ALA . 7247 1 84 . ALA . 7247 1 85 . SER . 7247 1 86 . LYS . 7247 1 87 . GLN . 7247 1 88 . GLY . 7247 1 89 . ASN . 7247 1 90 . ALA . 7247 1 91 . GLU . 7247 1 92 . GLN . 7247 1 93 . PHE . 7247 1 94 . ALA . 7247 1 95 . SER . 7247 1 96 . LEU . 7247 1 97 . VAL . 7247 1 98 . GLN . 7247 1 99 . GLN . 7247 1 100 . ILE . 7247 1 101 . LEU . 7247 1 102 . GLN . 7247 1 103 . ASP . 7247 1 104 . GLU . 7247 1 105 . GLN . 7247 1 106 . ARG . 7247 1 107 . HIS . 7247 1 108 . VAL . 7247 1 109 . GLU . 7247 1 110 . GLU . 7247 1 111 . ILE . 7247 1 112 . GLU . 7247 1 113 . LYS . 7247 1 114 . LYS . 7247 1 115 . ASN . 7247 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7247 1 . ASP 2 2 7247 1 . GLU 3 3 7247 1 . LEU 4 4 7247 1 . ARG 5 5 7247 1 . GLU 6 6 7247 1 . LEU 7 7 7247 1 . LEU 8 8 7247 1 . LYS 9 9 7247 1 . ALA 10 10 7247 1 . GLU 11 11 7247 1 . GLN 12 12 7247 1 . GLN 13 13 7247 1 . ALA 14 14 7247 1 . ILE 15 15 7247 1 . LYS 16 16 7247 1 . ILE 17 17 7247 1 . TYR 18 18 7247 1 . LYS 19 19 7247 1 . GLU 20 20 7247 1 . VAL 21 21 7247 1 . LEU 22 22 7247 1 . LYS 23 23 7247 1 . LYS 24 24 7247 1 . ALA 25 25 7247 1 . LYS 26 26 7247 1 . GLU 27 27 7247 1 . GLY 28 28 7247 1 . ASP 29 29 7247 1 . GLU 30 30 7247 1 . GLN 31 31 7247 1 . GLU 32 32 7247 1 . LEU 33 33 7247 1 . ALA 34 34 7247 1 . ARG 35 35 7247 1 . LEU 36 36 7247 1 . ILE 37 37 7247 1 . GLN 38 38 7247 1 . GLU 39 39 7247 1 . ILE 40 40 7247 1 . VAL 41 41 7247 1 . LYS 42 42 7247 1 . ALA 43 43 7247 1 . GLU 44 44 7247 1 . LYS 45 45 7247 1 . GLN 46 46 7247 1 . ALA 47 47 7247 1 . VAL 48 48 7247 1 . LYS 49 49 7247 1 . VAL 50 50 7247 1 . TYR 51 51 7247 1 . LYS 52 52 7247 1 . GLU 53 53 7247 1 . ALA 54 54 7247 1 . ALA 55 55 7247 1 . GLU 56 56 7247 1 . LYS 57 57 7247 1 . ALA 58 58 7247 1 . ARG 59 59 7247 1 . ASN 60 60 7247 1 . PRO 61 61 7247 1 . GLU 62 62 7247 1 . LYS 63 63 7247 1 . ARG 64 64 7247 1 . GLN 65 65 7247 1 . VAL 66 66 7247 1 . ILE 67 67 7247 1 . ASP 68 68 7247 1 . LYS 69 69 7247 1 . ILE 70 70 7247 1 . LEU 71 71 7247 1 . GLU 72 72 7247 1 . ASP 73 73 7247 1 . GLU 74 74 7247 1 . GLU 75 75 7247 1 . LYS 76 76 7247 1 . HIS 77 77 7247 1 . ILE 78 78 7247 1 . GLU 79 79 7247 1 . TRP 80 80 7247 1 . LEU 81 81 7247 1 . LYS 82 82 7247 1 . ALA 83 83 7247 1 . ALA 84 84 7247 1 . SER 85 85 7247 1 . LYS 86 86 7247 1 . GLN 87 87 7247 1 . GLY 88 88 7247 1 . ASN 89 89 7247 1 . ALA 90 90 7247 1 . GLU 91 91 7247 1 . GLN 92 92 7247 1 . PHE 93 93 7247 1 . ALA 94 94 7247 1 . SER 95 95 7247 1 . LEU 96 96 7247 1 . VAL 97 97 7247 1 . GLN 98 98 7247 1 . GLN 99 99 7247 1 . ILE 100 100 7247 1 . LEU 101 101 7247 1 . GLN 102 102 7247 1 . ASP 103 103 7247 1 . GLU 104 104 7247 1 . GLN 105 105 7247 1 . ARG 106 106 7247 1 . HIS 107 107 7247 1 . VAL 108 108 7247 1 . GLU 109 109 7247 1 . GLU 110 110 7247 1 . ILE 111 111 7247 1 . GLU 112 112 7247 1 . LYS 113 113 7247 1 . LYS 114 114 7247 1 . ASN 115 115 7247 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 7247 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ZN . 7247 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7247 _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 $Due_Ferri_single_chain . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7247 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 7247 _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 . $Due_Ferri_single_chain . 'recombinant technology' . 'E. Coli' . . . . . . . . . . BL21(DE3) . . . . . . plasmid . . PET-24A . Novagen . . . . 7247 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 7247 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 23 15:52:56 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 7247 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 7247 ZN [Zn++] SMILES CACTVS 3.341 7247 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 7247 ZN [Zn+2] SMILES ACDLabs 10.04 7247 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 7247 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7247 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 7247 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7247 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7247 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DFsc _Sample.Sf_category sample _Sample.Sf_framecode DFsc _Sample.Entry_ID 7247 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Deuterated Sodium acetate was used as a buffer. Zn(II) Acetate added as the cofactor: 2.5:1, metal:protein.' _Sample.Aggregate_sample_number 0 _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 'DueFerri, single chain' '[U-13C; U-15N]' . . 1 $Due_Ferri_single_chain . . 2 . . mM . . . . 7247 1 2 'Zn(II) Acetate' . . . 2 $ZN . . 2.5 . . mM . . . . 7247 1 3 'Sodium acetat' . . . . . . . 50 . . mM . . . . 7247 1 4 NaCl . . . . . . . 10 . . mM . . . . 7247 1 5 D2O . . . . . . . 5 . . % . . . . 7247 1 6 H2O . . . . . . . 95 . . % . . . . 7247 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 7247 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 7247 1 temperature 308 . K 7247 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7247 _Software.ID 1 _Software.Name NMRPipe _Software.Version linux9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH 'National Institutes of Health, Laboratory of Chemical Physics, NIDDK, Building 5 B2-31, 5 Center Drive MSC 0505, Bethesda MD, 20892-0505 U.S.A' delaglio@spite.niddk.nih.gov 7247 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7247 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID UCSF ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco ; sparky@cgl.ucsf.edu 7247 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 7247 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'temperature: 298K' _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7247 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H15N_HSQC no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 2 HNCBCA no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 3 CBCACONH no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 4 C(CO)_NH no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 5 HC(CO)_NH no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 6 1H13C_HSQC no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 7 HNHA no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 8 HCCHTOCSY no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 9 MECCTOCSY no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 10 HNCO no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 11 NOESYNHSQC no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 12 NOESYCHSQC no . . . . . . . . . . 1 $DFsc . . . 1 $conditions_1 . . . 1 $750MHz_spectrometer . . . . . . . . . . . . . . . . 7247 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCBCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCBCA _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCBCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_C(CO)_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C(CO)_NH _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'C(CO) NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HC(CO)_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HC(CO)_NH _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'HC(CO) NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_HSQC _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHA _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCHTOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCHTOCSY _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_MECCTOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode MECCTOCSY _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name MECCTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NOESYNHSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESYNHSQC _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name NOESYNHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NOESYCHSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESYCHSQC _NMR_spec_expt.Entry_ID 7247 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name NOESYCHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7247 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7247 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7247 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7247 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 7247 _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 1H15N_HSQC 1 $DFsc isotropic 7247 1 2 HNCBCA 1 $DFsc isotropic 7247 1 3 CBCACONH 1 $DFsc isotropic 7247 1 4 C(CO)_NH 1 $DFsc isotropic 7247 1 5 HC(CO)_NH 1 $DFsc isotropic 7247 1 6 1H13C_HSQC 1 $DFsc isotropic 7247 1 10 HNCO 1 $DFsc isotropic 7247 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 2 $software_2 . . 7247 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.116 0.02 . 1 . . . . 1 MET HE . 7247 1 2 . 1 1 1 1 MET HE2 H 1 2.116 0.02 . 1 . . . . 1 MET HE . 7247 1 3 . 1 1 1 1 MET HE3 H 1 2.116 0.02 . 1 . . . . 1 MET HE . 7247 1 4 . 1 1 1 1 MET CE C 13 17.049 0.1 . 1 . . . . 1 MET CE . 7247 1 5 . 1 1 2 2 ASP H H 1 7.992 0.02 . 1 . . . . 2 ASP H . 7247 1 6 . 1 1 2 2 ASP HA H 1 4.735 0.02 . 1 . . . . 2 ASP HA . 7247 1 7 . 1 1 2 2 ASP HB2 H 1 2.828 0.02 . 1 . . . . 2 ASP HB2 . 7247 1 8 . 1 1 2 2 ASP HB3 H 1 2.671 0.02 . 1 . . . . 2 ASP HB3 . 7247 1 9 . 1 1 2 2 ASP C C 13 176.23 0.1 . 1 . . . . 2 ASP C . 7247 1 10 . 1 1 2 2 ASP CA C 13 54.745 0.1 . 1 . . . . 2 ASP CA . 7247 1 11 . 1 1 2 2 ASP CB C 13 40.878 0.1 . 1 . . . . 2 ASP CB . 7247 1 12 . 1 1 2 2 ASP N N 15 118.212 0.1 . 1 . . . . 2 ASP N . 7247 1 13 . 1 1 3 3 GLU H H 1 8.794 0.02 . 1 . . . . 3 GLU H . 7247 1 14 . 1 1 3 3 GLU HA H 1 4.15 0.02 . 1 . . . . 3 GLU HA . 7247 1 15 . 1 1 3 3 GLU HB2 H 1 2.063 0.02 . 2 . . . . 3 GLU HB2 . 7247 1 16 . 1 1 3 3 GLU HG2 H 1 2.302 0.02 . 2 . . . . 3 GLU HG2 . 7247 1 17 . 1 1 3 3 GLU C C 13 177.554 0.1 . 1 . . . . 3 GLU C . 7247 1 18 . 1 1 3 3 GLU CA C 13 58.738 0.1 . 1 . . . . 3 GLU CA . 7247 1 19 . 1 1 3 3 GLU CB C 13 29.753 0.1 . 1 . . . . 3 GLU CB . 7247 1 20 . 1 1 3 3 GLU CG C 13 36.539 0.1 . 1 . . . . 3 GLU CG . 7247 1 21 . 1 1 3 3 GLU N N 15 122.392 0.1 . 1 . . . . 3 GLU N . 7247 1 22 . 1 1 4 4 LEU H H 1 8.388 0.02 . 1 . . . . 4 LEU H . 7247 1 23 . 1 1 4 4 LEU HA H 1 4.25 0.02 . 1 . . . . 4 LEU HA . 7247 1 24 . 1 1 4 4 LEU HB2 H 1 1.803 0.02 . 1 . . . . 4 LEU HB2 . 7247 1 25 . 1 1 4 4 LEU HB3 H 1 1.701 0.02 . 1 . . . . 4 LEU HB3 . 7247 1 26 . 1 1 4 4 LEU HG H 1 1.698 0.02 . 1 . . . . 4 LEU HG . 7247 1 27 . 1 1 4 4 LEU HD11 H 1 0.954 0.02 . 1 . . . . 4 LEU HD1 . 7247 1 28 . 1 1 4 4 LEU HD12 H 1 0.954 0.02 . 1 . . . . 4 LEU HD1 . 7247 1 29 . 1 1 4 4 LEU HD13 H 1 0.954 0.02 . 1 . . . . 4 LEU HD1 . 7247 1 30 . 1 1 4 4 LEU HD21 H 1 0.921 0.02 . 1 . . . . 4 LEU HD2 . 7247 1 31 . 1 1 4 4 LEU HD22 H 1 0.921 0.02 . 1 . . . . 4 LEU HD2 . 7247 1 32 . 1 1 4 4 LEU HD23 H 1 0.921 0.02 . 1 . . . . 4 LEU HD2 . 7247 1 33 . 1 1 4 4 LEU C C 13 178.396 0.1 . 1 . . . . 4 LEU C . 7247 1 34 . 1 1 4 4 LEU CA C 13 56.559 0.1 . 1 . . . . 4 LEU CA . 7247 1 35 . 1 1 4 4 LEU CB C 13 41.018 0.1 . 1 . . . . 4 LEU CB . 7247 1 36 . 1 1 4 4 LEU CG C 13 27.133 0.1 . 1 . . . . 4 LEU CG . 7247 1 37 . 1 1 4 4 LEU CD1 C 13 25.252 0.1 . 1 . . . . 4 LEU CD1 . 7247 1 38 . 1 1 4 4 LEU CD2 C 13 23.775 0.1 . 1 . . . . 4 LEU CD2 . 7247 1 39 . 1 1 4 4 LEU N N 15 119.63 0.1 . 1 . . . . 4 LEU N . 7247 1 40 . 1 1 5 5 ARG H H 1 7.784 0.02 . 1 . . . . 5 ARG H . 7247 1 41 . 1 1 5 5 ARG HA H 1 3.954 0.02 . 1 . . . . 5 ARG HA . 7247 1 42 . 1 1 5 5 ARG HB2 H 1 1.942 0.02 . 2 . . . . 5 ARG HB2 . 7247 1 43 . 1 1 5 5 ARG HG2 H 1 1.702 0.02 . 2 . . . . 5 ARG HG2 . 7247 1 44 . 1 1 5 5 ARG HD2 H 1 3.253 0.02 . 2 . . . . 5 ARG HD2 . 7247 1 45 . 1 1 5 5 ARG C C 13 178.678 0.1 . 1 . . . . 5 ARG C . 7247 1 46 . 1 1 5 5 ARG CA C 13 59.352 0.1 . 1 . . . . 5 ARG CA . 7247 1 47 . 1 1 5 5 ARG CB C 13 29.721 0.1 . 1 . . . . 5 ARG CB . 7247 1 48 . 1 1 5 5 ARG CG C 13 27.273 0.1 . 1 . . . . 5 ARG CG . 7247 1 49 . 1 1 5 5 ARG CD C 13 43.14 0.1 . 1 . . . . 5 ARG CD . 7247 1 50 . 1 1 5 5 ARG N N 15 118.361 0.1 . 1 . . . . 5 ARG N . 7247 1 51 . 1 1 6 6 GLU H H 1 8.303 0.02 . 1 . . . . 6 GLU H . 7247 1 52 . 1 1 6 6 GLU HA H 1 4.02 0.02 . 1 . . . . 6 GLU HA . 7247 1 53 . 1 1 6 6 GLU HB2 H 1 2.029 0.02 . 2 . . . . 6 GLU HB2 . 7247 1 54 . 1 1 6 6 GLU HG2 H 1 2.319 0.02 . 2 . . . . 6 GLU HG2 . 7247 1 55 . 1 1 6 6 GLU C C 13 179.186 0.1 . 1 . . . . 6 GLU C . 7247 1 56 . 1 1 6 6 GLU CA C 13 59.004 0.1 . 1 . . . . 6 GLU CA . 7247 1 57 . 1 1 6 6 GLU CB C 13 29.153 0.1 . 1 . . . . 6 GLU CB . 7247 1 58 . 1 1 6 6 GLU CG C 13 35.937 0.1 . 1 . . . . 6 GLU CG . 7247 1 59 . 1 1 6 6 GLU N N 15 117.988 0.1 . 1 . . . . 6 GLU N . 7247 1 60 . 1 1 7 7 LEU H H 1 7.593 0.02 . 1 . . . . 7 LEU H . 7247 1 61 . 1 1 7 7 LEU HA H 1 3.802 0.02 . 1 . . . . 7 LEU HA . 7247 1 62 . 1 1 7 7 LEU HB2 H 1 1.896 0.02 . 1 . . . . 7 LEU HB2 . 7247 1 63 . 1 1 7 7 LEU HB3 H 1 1.484 0.02 . 1 . . . . 7 LEU HB3 . 7247 1 64 . 1 1 7 7 LEU HG H 1 1.639 0.02 . 1 . . . . 7 LEU HG . 7247 1 65 . 1 1 7 7 LEU HD11 H 1 0.757 0.02 . 1 . . . . 7 LEU HD1 . 7247 1 66 . 1 1 7 7 LEU HD12 H 1 0.757 0.02 . 1 . . . . 7 LEU HD1 . 7247 1 67 . 1 1 7 7 LEU HD13 H 1 0.757 0.02 . 1 . . . . 7 LEU HD1 . 7247 1 68 . 1 1 7 7 LEU HD21 H 1 0.015 0.02 . 1 . . . . 7 LEU HD2 . 7247 1 69 . 1 1 7 7 LEU HD22 H 1 0.015 0.02 . 1 . . . . 7 LEU HD2 . 7247 1 70 . 1 1 7 7 LEU HD23 H 1 0.015 0.02 . 1 . . . . 7 LEU HD2 . 7247 1 71 . 1 1 7 7 LEU C C 13 178.512 0.1 . 1 . . . . 7 LEU C . 7247 1 72 . 1 1 7 7 LEU CA C 13 57.77 0.1 . 1 . . . . 7 LEU CA . 7247 1 73 . 1 1 7 7 LEU CB C 13 40.121 0.1 . 1 . . . . 7 LEU CB . 7247 1 74 . 1 1 7 7 LEU CG C 13 25.679 0.1 . 1 . . . . 7 LEU CG . 7247 1 75 . 1 1 7 7 LEU CD1 C 13 25.237 0.1 . 1 . . . . 7 LEU CD1 . 7247 1 76 . 1 1 7 7 LEU CD2 C 13 21.687 0.1 . 1 . . . . 7 LEU CD2 . 7247 1 77 . 1 1 7 7 LEU N N 15 119.832 0.1 . 1 . . . . 7 LEU N . 7247 1 78 . 1 1 8 8 LEU H H 1 7.84 0.02 . 1 . . . . 8 LEU H . 7247 1 79 . 1 1 8 8 LEU HA H 1 3.95 0.02 . 1 . . . . 8 LEU HA . 7247 1 80 . 1 1 8 8 LEU HB2 H 1 1.762 0.02 . 1 . . . . 8 LEU HB2 . 7247 1 81 . 1 1 8 8 LEU HB3 H 1 1.671 0.02 . 1 . . . . 8 LEU HB3 . 7247 1 82 . 1 1 8 8 LEU HG H 1 1.691 0.02 . 1 . . . . 8 LEU HG . 7247 1 83 . 1 1 8 8 LEU HD11 H 1 0.989 0.02 . 1 . . . . 8 LEU HD1 . 7247 1 84 . 1 1 8 8 LEU HD12 H 1 0.989 0.02 . 1 . . . . 8 LEU HD1 . 7247 1 85 . 1 1 8 8 LEU HD13 H 1 0.989 0.02 . 1 . . . . 8 LEU HD1 . 7247 1 86 . 1 1 8 8 LEU HD21 H 1 0.98 0.02 . 1 . . . . 8 LEU HD2 . 7247 1 87 . 1 1 8 8 LEU HD22 H 1 0.98 0.02 . 1 . . . . 8 LEU HD2 . 7247 1 88 . 1 1 8 8 LEU HD23 H 1 0.98 0.02 . 1 . . . . 8 LEU HD2 . 7247 1 89 . 1 1 8 8 LEU C C 13 179.369 0.1 . 1 . . . . 8 LEU C . 7247 1 90 . 1 1 8 8 LEU CA C 13 58.193 0.1 . 1 . . . . 8 LEU CA . 7247 1 91 . 1 1 8 8 LEU CB C 13 41.742 0.1 . 1 . . . . 8 LEU CB . 7247 1 92 . 1 1 8 8 LEU CG C 13 27.177 0.1 . 1 . . . . 8 LEU CG . 7247 1 93 . 1 1 8 8 LEU CD1 C 13 25.027 0.1 . 1 . . . . 8 LEU CD1 . 7247 1 94 . 1 1 8 8 LEU CD2 C 13 24.876 0.1 . 1 . . . . 8 LEU CD2 . 7247 1 95 . 1 1 8 8 LEU N N 15 118.195 0.1 . 1 . . . . 8 LEU N . 7247 1 96 . 1 1 9 9 LYS H H 1 8.112 0.02 . 1 . . . . 9 LYS H . 7247 1 97 . 1 1 9 9 LYS HA H 1 4.04 0.02 . 1 . . . . 9 LYS HA . 7247 1 98 . 1 1 9 9 LYS HB2 H 1 1.886 0.02 . 2 . . . . 9 LYS HB2 . 7247 1 99 . 1 1 9 9 LYS HG2 H 1 1.431 0.02 . 2 . . . . 9 LYS HG2 . 7247 1 100 . 1 1 9 9 LYS HD2 H 1 1.671 0.02 . 2 . . . . 9 LYS HD2 . 7247 1 101 . 1 1 9 9 LYS HE2 H 1 2.95 0.02 . 2 . . . . 9 LYS HE2 . 7247 1 102 . 1 1 9 9 LYS C C 13 179.073 0.1 . 1 . . . . 9 LYS C . 7247 1 103 . 1 1 9 9 LYS CA C 13 59.51 0.1 . 1 . . . . 9 LYS CA . 7247 1 104 . 1 1 9 9 LYS CB C 13 32.338 0.1 . 1 . . . . 9 LYS CB . 7247 1 105 . 1 1 9 9 LYS CG C 13 25.143 0.1 . 1 . . . . 9 LYS CG . 7247 1 106 . 1 1 9 9 LYS CD C 13 29.335 0.1 . 1 . . . . 9 LYS CD . 7247 1 107 . 1 1 9 9 LYS CE C 13 41.854 0.1 . 1 . . . . 9 LYS CE . 7247 1 108 . 1 1 9 9 LYS N N 15 118.186 0.1 . 1 . . . . 9 LYS N . 7247 1 109 . 1 1 10 10 ALA H H 1 7.622 0.02 . 1 . . . . 10 ALA H . 7247 1 110 . 1 1 10 10 ALA HA H 1 4.236 0.02 . 1 . . . . 10 ALA HA . 7247 1 111 . 1 1 10 10 ALA HB1 H 1 1.551 0.02 . 1 . . . . 10 ALA HB . 7247 1 112 . 1 1 10 10 ALA HB2 H 1 1.551 0.02 . 1 . . . . 10 ALA HB . 7247 1 113 . 1 1 10 10 ALA HB3 H 1 1.551 0.02 . 1 . . . . 10 ALA HB . 7247 1 114 . 1 1 10 10 ALA C C 13 181.547 0.1 . 1 . . . . 10 ALA C . 7247 1 115 . 1 1 10 10 ALA CA C 13 55.067 0.1 . 1 . . . . 10 ALA CA . 7247 1 116 . 1 1 10 10 ALA CB C 13 17.832 0.1 . 1 . . . . 10 ALA CB . 7247 1 117 . 1 1 10 10 ALA N N 15 121.338 0.1 . 1 . . . . 10 ALA N . 7247 1 118 . 1 1 11 11 GLU H H 1 8.158 0.02 . 1 . . . . 11 GLU H . 7247 1 119 . 1 1 11 11 GLU HA H 1 4.583 0.02 . 1 . . . . 11 GLU HA . 7247 1 120 . 1 1 11 11 GLU HB2 H 1 2.288 0.02 . 1 . . . . 11 GLU HB2 . 7247 1 121 . 1 1 11 11 GLU HB3 H 1 2.104 0.02 . 1 . . . . 11 GLU HB3 . 7247 1 122 . 1 1 11 11 GLU HG2 H 1 3.093 0.02 . 1 . . . . 11 GLU HG2 . 7247 1 123 . 1 1 11 11 GLU HG3 H 1 2.328 0.02 . 1 . . . . 11 GLU HG3 . 7247 1 124 . 1 1 11 11 GLU C C 13 179.02 0.1 . 1 . . . . 11 GLU C . 7247 1 125 . 1 1 11 11 GLU CA C 13 58.415 0.1 . 1 . . . . 11 GLU CA . 7247 1 126 . 1 1 11 11 GLU CB C 13 29.534 0.1 . 1 . . . . 11 GLU CB . 7247 1 127 . 1 1 11 11 GLU CG C 13 31.781 0.1 . 1 . . . . 11 GLU CG . 7247 1 128 . 1 1 11 11 GLU N N 15 117.372 0.1 . 1 . . . . 11 GLU N . 7247 1 129 . 1 1 12 12 GLN H H 1 8.755 0.02 . 1 . . . . 12 GLN H . 7247 1 130 . 1 1 12 12 GLN HA H 1 4.05 0.02 . 1 . . . . 12 GLN HA . 7247 1 131 . 1 1 12 12 GLN HB2 H 1 2.272 0.02 . 1 . . . . 12 GLN HB2 . 7247 1 132 . 1 1 12 12 GLN HB3 H 1 2.092 0.02 . 1 . . . . 12 GLN HB3 . 7247 1 133 . 1 1 12 12 GLN HG2 H 1 2.631 0.02 . 2 . . . . 12 GLN HG2 . 7247 1 134 . 1 1 12 12 GLN HG3 H 1 2.475 0.02 . 2 . . . . 12 GLN HG3 . 7247 1 135 . 1 1 12 12 GLN HE21 H 1 7.265 0.02 . 2 . . . . 12 GLN HE21 . 7247 1 136 . 1 1 12 12 GLN HE22 H 1 6.811 0.02 . 2 . . . . 12 GLN HE22 . 7247 1 137 . 1 1 12 12 GLN C C 13 179.627 0.1 . 1 . . . . 12 GLN C . 7247 1 138 . 1 1 12 12 GLN CA C 13 58.959 0.1 . 1 . . . . 12 GLN CA . 7247 1 139 . 1 1 12 12 GLN CB C 13 27.962 0.1 . 1 . . . . 12 GLN CB . 7247 1 140 . 1 1 12 12 GLN CG C 13 33.731 0.1 . 1 . . . . 12 GLN CG . 7247 1 141 . 1 1 12 12 GLN N N 15 116.517 0.1 . 1 . . . . 12 GLN N . 7247 1 142 . 1 1 12 12 GLN NE2 N 15 109.952 0.1 . 1 . . . . 12 GLN NE2 . 7247 1 143 . 1 1 13 13 GLN H H 1 8.307 0.02 . 1 . . . . 13 GLN H . 7247 1 144 . 1 1 13 13 GLN HA H 1 4.164 0.02 . 1 . . . . 13 GLN HA . 7247 1 145 . 1 1 13 13 GLN HB2 H 1 2.253 0.02 . 2 . . . . 13 GLN HB2 . 7247 1 146 . 1 1 13 13 GLN HG2 H 1 2.471 0.02 . 2 . . . . 13 GLN HG2 . 7247 1 147 . 1 1 13 13 GLN HE21 H 1 7.502 0.02 . 1 . . . . 13 GLN HE21 . 7247 1 148 . 1 1 13 13 GLN HE22 H 1 6.965 0.02 . 1 . . . . 13 GLN HE22 . 7247 1 149 . 1 1 13 13 GLN C C 13 177.74 0.1 . 1 . . . . 13 GLN C . 7247 1 150 . 1 1 13 13 GLN CA C 13 58.733 0.1 . 1 . . . . 13 GLN CA . 7247 1 151 . 1 1 13 13 GLN CB C 13 28.203 0.1 . 1 . . . . 13 GLN CB . 7247 1 152 . 1 1 13 13 GLN CG C 13 33.807 0.1 . 1 . . . . 13 GLN CG . 7247 1 153 . 1 1 13 13 GLN N N 15 119.672 0.1 . 1 . . . . 13 GLN N . 7247 1 154 . 1 1 13 13 GLN NE2 N 15 111.07 0.1 . 1 . . . . 13 GLN NE2 . 7247 1 155 . 1 1 14 14 ALA H H 1 7.545 0.02 . 1 . . . . 14 ALA H . 7247 1 156 . 1 1 14 14 ALA HA H 1 3.914 0.02 . 1 . . . . 14 ALA HA . 7247 1 157 . 1 1 14 14 ALA HB1 H 1 1.565 0.02 . 1 . . . . 14 ALA HB . 7247 1 158 . 1 1 14 14 ALA HB2 H 1 1.565 0.02 . 1 . . . . 14 ALA HB . 7247 1 159 . 1 1 14 14 ALA HB3 H 1 1.565 0.02 . 1 . . . . 14 ALA HB . 7247 1 160 . 1 1 14 14 ALA C C 13 178.289 0.1 . 1 . . . . 14 ALA C . 7247 1 161 . 1 1 14 14 ALA CA C 13 55.636 0.1 . 1 . . . . 14 ALA CA . 7247 1 162 . 1 1 14 14 ALA CB C 13 16.53 0.1 . 1 . . . . 14 ALA CB . 7247 1 163 . 1 1 14 14 ALA N N 15 121.399 0.1 . 1 . . . . 14 ALA N . 7247 1 164 . 1 1 15 15 ILE H H 1 8.766 0.02 . 1 . . . . 15 ILE H . 7247 1 165 . 1 1 15 15 ILE HA H 1 3.595 0.02 . 1 . . . . 15 ILE HA . 7247 1 166 . 1 1 15 15 ILE HB H 1 1.897 0.02 . 1 . . . . 15 ILE HB . 7247 1 167 . 1 1 15 15 ILE HG21 H 1 0.949 0.02 . 1 . . . . 15 ILE HG2 . 7247 1 168 . 1 1 15 15 ILE HG22 H 1 0.949 0.02 . 1 . . . . 15 ILE HG2 . 7247 1 169 . 1 1 15 15 ILE HG23 H 1 0.949 0.02 . 1 . . . . 15 ILE HG2 . 7247 1 170 . 1 1 15 15 ILE HD11 H 1 0.818 0.02 . 1 . . . . 15 ILE HD1 . 7247 1 171 . 1 1 15 15 ILE HD12 H 1 0.818 0.02 . 1 . . . . 15 ILE HD1 . 7247 1 172 . 1 1 15 15 ILE HD13 H 1 0.818 0.02 . 1 . . . . 15 ILE HD1 . 7247 1 173 . 1 1 15 15 ILE C C 13 176.862 0.1 . 1 . . . . 15 ILE C . 7247 1 174 . 1 1 15 15 ILE CA C 13 66.72 0.1 . 1 . . . . 15 ILE CA . 7247 1 175 . 1 1 15 15 ILE CB C 13 38.788 0.1 . 1 . . . . 15 ILE CB . 7247 1 176 . 1 1 15 15 ILE CG1 C 13 31.8 0.1 . 1 . . . . 15 ILE CG1 . 7247 1 177 . 1 1 15 15 ILE CG2 C 13 17.009 0.1 . 1 . . . . 15 ILE CG2 . 7247 1 178 . 1 1 15 15 ILE CD1 C 13 13.632 0.1 . 1 . . . . 15 ILE CD1 . 7247 1 179 . 1 1 15 15 ILE N N 15 117.665 0.1 . 1 . . . . 15 ILE N . 7247 1 180 . 1 1 16 16 LYS H H 1 7.94 0.02 . 1 . . . . 16 LYS H . 7247 1 181 . 1 1 16 16 LYS HA H 1 3.953 0.02 . 1 . . . . 16 LYS HA . 7247 1 182 . 1 1 16 16 LYS HB2 H 1 1.977 0.02 . 2 . . . . 16 LYS HB2 . 7247 1 183 . 1 1 16 16 LYS HG2 H 1 1.577 0.02 . 1 . . . . 16 LYS HG2 . 7247 1 184 . 1 1 16 16 LYS HG3 H 1 1.393 0.02 . 1 . . . . 16 LYS HG3 . 7247 1 185 . 1 1 16 16 LYS HD2 H 1 1.692 0.02 . 2 . . . . 16 LYS HD2 . 7247 1 186 . 1 1 16 16 LYS HE2 H 1 2.943 0.02 . 2 . . . . 16 LYS HE2 . 7247 1 187 . 1 1 16 16 LYS C C 13 179.557 0.1 . 1 . . . . 16 LYS C . 7247 1 188 . 1 1 16 16 LYS CA C 13 60.032 0.1 . 1 . . . . 16 LYS CA . 7247 1 189 . 1 1 16 16 LYS CB C 13 32.742 0.1 . 1 . . . . 16 LYS CB . 7247 1 190 . 1 1 16 16 LYS CG C 13 24.916 0.1 . 1 . . . . 16 LYS CG . 7247 1 191 . 1 1 16 16 LYS CD C 13 29.614 0.1 . 1 . . . . 16 LYS CD . 7247 1 192 . 1 1 16 16 LYS CE C 13 42.027 0.1 . 1 . . . . 16 LYS CE . 7247 1 193 . 1 1 16 16 LYS N N 15 117.806 0.1 . 1 . . . . 16 LYS N . 7247 1 194 . 1 1 17 17 ILE H H 1 7.704 0.02 . 1 . . . . 17 ILE H . 7247 1 195 . 1 1 17 17 ILE HA H 1 4.006 0.02 . 1 . . . . 17 ILE HA . 7247 1 196 . 1 1 17 17 ILE HB H 1 1.75 0.02 . 1 . . . . 17 ILE HB . 7247 1 197 . 1 1 17 17 ILE HG12 H 1 1.662 0.02 . 1 . . . . 17 ILE HG12 . 7247 1 198 . 1 1 17 17 ILE HG13 H 1 1.174 0.02 . 1 . . . . 17 ILE HG13 . 7247 1 199 . 1 1 17 17 ILE HG21 H 1 0.844 0.02 . 1 . . . . 17 ILE HG2 . 7247 1 200 . 1 1 17 17 ILE HG22 H 1 0.844 0.02 . 1 . . . . 17 ILE HG2 . 7247 1 201 . 1 1 17 17 ILE HG23 H 1 0.844 0.02 . 1 . . . . 17 ILE HG2 . 7247 1 202 . 1 1 17 17 ILE HD11 H 1 0.807 0.02 . 1 . . . . 17 ILE HD1 . 7247 1 203 . 1 1 17 17 ILE HD12 H 1 0.807 0.02 . 1 . . . . 17 ILE HD1 . 7247 1 204 . 1 1 17 17 ILE HD13 H 1 0.807 0.02 . 1 . . . . 17 ILE HD1 . 7247 1 205 . 1 1 17 17 ILE C C 13 178.428 0.1 . 1 . . . . 17 ILE C . 7247 1 206 . 1 1 17 17 ILE CA C 13 63.908 0.1 . 1 . . . . 17 ILE CA . 7247 1 207 . 1 1 17 17 ILE CB C 13 37.641 0.1 . 1 . . . . 17 ILE CB . 7247 1 208 . 1 1 17 17 ILE CG1 C 13 28.734 0.1 . 1 . . . . 17 ILE CG1 . 7247 1 209 . 1 1 17 17 ILE CG2 C 13 19.033 0.1 . 1 . . . . 17 ILE CG2 . 7247 1 210 . 1 1 17 17 ILE CD1 C 13 13.717 0.1 . 1 . . . . 17 ILE CD1 . 7247 1 211 . 1 1 17 17 ILE N N 15 119.105 0.1 . 1 . . . . 17 ILE N . 7247 1 212 . 1 1 18 18 TYR H H 1 8.894 0.02 . 1 . . . . 18 TYR H . 7247 1 213 . 1 1 18 18 TYR HA H 1 4.198 0.02 . 1 . . . . 18 TYR HA . 7247 1 214 . 1 1 18 18 TYR HB2 H 1 3.081 0.02 . 1 . . . . 18 TYR HB2 . 7247 1 215 . 1 1 18 18 TYR HB3 H 1 2.818 0.02 . 1 . . . . 18 TYR HB3 . 7247 1 216 . 1 1 18 18 TYR HD1 H 1 6.925 0.02 . 1 . . . . 18 TYR HD1 . 7247 1 217 . 1 1 18 18 TYR HD2 H 1 6.925 0.02 . 1 . . . . 18 TYR HD2 . 7247 1 218 . 1 1 18 18 TYR HE1 H 1 6.686 0.02 . 2 . . . . 18 TYR HE1 . 7247 1 219 . 1 1 18 18 TYR HE2 H 1 6.686 0.02 . 2 . . . . 18 TYR HE2 . 7247 1 220 . 1 1 18 18 TYR C C 13 178.864 0.1 . 1 . . . . 18 TYR C . 7247 1 221 . 1 1 18 18 TYR CA C 13 63.558 0.1 . 1 . . . . 18 TYR CA . 7247 1 222 . 1 1 18 18 TYR CB C 13 38.16 0.1 . 1 . . . . 18 TYR CB . 7247 1 223 . 1 1 18 18 TYR CD1 C 13 131.722 0.1 . 1 . . . . 18 TYR CD1 . 7247 1 224 . 1 1 18 18 TYR CD2 C 13 131.722 0.1 . 1 . . . . 18 TYR CD2 . 7247 1 225 . 1 1 18 18 TYR CE1 C 13 118.301 0.1 . 1 . . . . 18 TYR CE1 . 7247 1 226 . 1 1 18 18 TYR CE2 C 13 118.301 0.1 . 1 . . . . 18 TYR CE2 . 7247 1 227 . 1 1 18 18 TYR N N 15 121.194 0.1 . 1 . . . . 18 TYR N . 7247 1 228 . 1 1 19 19 LYS H H 1 8.532 0.02 . 1 . . . . 19 LYS H . 7247 1 229 . 1 1 19 19 LYS HA H 1 3.935 0.02 . 1 . . . . 19 LYS HA . 7247 1 230 . 1 1 19 19 LYS HB2 H 1 2 0.02 . 1 . . . . 19 LYS HB2 . 7247 1 231 . 1 1 19 19 LYS HB3 H 1 1.851 0.02 . 1 . . . . 19 LYS HB3 . 7247 1 232 . 1 1 19 19 LYS HG3 H 1 1.393 0.02 . 2 . . . . 19 LYS HG3 . 7247 1 233 . 1 1 19 19 LYS HD2 H 1 1.684 0.02 . 2 . . . . 19 LYS HD2 . 7247 1 234 . 1 1 19 19 LYS HE2 H 1 2.588 0.02 . 2 . . . . 19 LYS HE2 . 7247 1 235 . 1 1 19 19 LYS C C 13 179.831 0.1 . 1 . . . . 19 LYS C . 7247 1 236 . 1 1 19 19 LYS CA C 13 60.81 0.1 . 1 . . . . 19 LYS CA . 7247 1 237 . 1 1 19 19 LYS CB C 13 32.543 0.1 . 1 . . . . 19 LYS CB . 7247 1 238 . 1 1 19 19 LYS CG C 13 27.167 0.1 . 1 . . . . 19 LYS CG . 7247 1 239 . 1 1 19 19 LYS CD C 13 29.779 0.1 . 1 . . . . 19 LYS CD . 7247 1 240 . 1 1 19 19 LYS CE C 13 41.538 0.1 . 1 . . . . 19 LYS CE . 7247 1 241 . 1 1 19 19 LYS N N 15 116.868 0.1 . 1 . . . . 19 LYS N . 7247 1 242 . 1 1 20 20 GLU H H 1 7.715 0.02 . 1 . . . . 20 GLU H . 7247 1 243 . 1 1 20 20 GLU HA H 1 4.164 0.02 . 1 . . . . 20 GLU HA . 7247 1 244 . 1 1 20 20 GLU HB2 H 1 2.294 0.02 . 2 . . . . 20 GLU HB2 . 7247 1 245 . 1 1 20 20 GLU HG2 H 1 2.429 0.02 . 2 . . . . 20 GLU HG2 . 7247 1 246 . 1 1 20 20 GLU C C 13 179.211 0.1 . 1 . . . . 20 GLU C . 7247 1 247 . 1 1 20 20 GLU CA C 13 59.177 0.1 . 1 . . . . 20 GLU CA . 7247 1 248 . 1 1 20 20 GLU CB C 13 29.507 0.1 . 1 . . . . 20 GLU CB . 7247 1 249 . 1 1 20 20 GLU CG C 13 35.816 0.1 . 1 . . . . 20 GLU CG . 7247 1 250 . 1 1 20 20 GLU N N 15 120.71 0.1 . 1 . . . . 20 GLU N . 7247 1 251 . 1 1 21 21 VAL H H 1 8.753 0.02 . 1 . . . . 21 VAL H . 7247 1 252 . 1 1 21 21 VAL HA H 1 3.638 0.02 . 1 . . . . 21 VAL HA . 7247 1 253 . 1 1 21 21 VAL HB H 1 2.465 0.02 . 1 . . . . 21 VAL HB . 7247 1 254 . 1 1 21 21 VAL HG11 H 1 1.134 0.02 . 1 . . . . 21 VAL HG1 . 7247 1 255 . 1 1 21 21 VAL HG12 H 1 1.134 0.02 . 1 . . . . 21 VAL HG1 . 7247 1 256 . 1 1 21 21 VAL HG13 H 1 1.134 0.02 . 1 . . . . 21 VAL HG1 . 7247 1 257 . 1 1 21 21 VAL HG21 H 1 1.176 0.02 . 1 . . . . 21 VAL HG2 . 7247 1 258 . 1 1 21 21 VAL HG22 H 1 1.176 0.02 . 1 . . . . 21 VAL HG2 . 7247 1 259 . 1 1 21 21 VAL HG23 H 1 1.176 0.02 . 1 . . . . 21 VAL HG2 . 7247 1 260 . 1 1 21 21 VAL C C 13 177.569 0.1 . 1 . . . . 21 VAL C . 7247 1 261 . 1 1 21 21 VAL CA C 13 66.559 0.1 . 1 . . . . 21 VAL CA . 7247 1 262 . 1 1 21 21 VAL CB C 13 31.3 0.1 . 1 . . . . 21 VAL CB . 7247 1 263 . 1 1 21 21 VAL CG1 C 13 22.659 0.1 . 1 . . . . 21 VAL CG1 . 7247 1 264 . 1 1 21 21 VAL CG2 C 13 24.772 0.1 . 1 . . . . 21 VAL CG2 . 7247 1 265 . 1 1 21 21 VAL N N 15 120.335 0.1 . 1 . . . . 21 VAL N . 7247 1 266 . 1 1 22 22 LEU H H 1 8.258 0.02 . 1 . . . . 22 LEU H . 7247 1 267 . 1 1 22 22 LEU HA H 1 4.024 0.02 . 1 . . . . 22 LEU HA . 7247 1 268 . 1 1 22 22 LEU HB2 H 1 1.815 0.02 . 1 . . . . 22 LEU HB2 . 7247 1 269 . 1 1 22 22 LEU HB3 H 1 1.749 0.02 . 1 . . . . 22 LEU HB3 . 7247 1 270 . 1 1 22 22 LEU HG H 1 1.778 0.02 . 1 . . . . 22 LEU HG . 7247 1 271 . 1 1 22 22 LEU HD11 H 1 0.897 0.02 . 1 . . . . 22 LEU HD1 . 7247 1 272 . 1 1 22 22 LEU HD12 H 1 0.897 0.02 . 1 . . . . 22 LEU HD1 . 7247 1 273 . 1 1 22 22 LEU HD13 H 1 0.897 0.02 . 1 . . . . 22 LEU HD1 . 7247 1 274 . 1 1 22 22 LEU HD21 H 1 0.881 0.02 . 1 . . . . 22 LEU HD2 . 7247 1 275 . 1 1 22 22 LEU HD22 H 1 0.881 0.02 . 1 . . . . 22 LEU HD2 . 7247 1 276 . 1 1 22 22 LEU HD23 H 1 0.881 0.02 . 1 . . . . 22 LEU HD2 . 7247 1 277 . 1 1 22 22 LEU C C 13 178.891 0.1 . 1 . . . . 22 LEU C . 7247 1 278 . 1 1 22 22 LEU CA C 13 57.982 0.1 . 1 . . . . 22 LEU CA . 7247 1 279 . 1 1 22 22 LEU CB C 13 41.712 0.1 . 1 . . . . 22 LEU CB . 7247 1 280 . 1 1 22 22 LEU CG C 13 26.748 0.1 . 1 . . . . 22 LEU CG . 7247 1 281 . 1 1 22 22 LEU CD1 C 13 25.046 0.1 . 1 . . . . 22 LEU CD1 . 7247 1 282 . 1 1 22 22 LEU CD2 C 13 24.368 0.1 . 1 . . . . 22 LEU CD2 . 7247 1 283 . 1 1 22 22 LEU N N 15 119.844 0.1 . 1 . . . . 22 LEU N . 7247 1 284 . 1 1 23 23 LYS H H 1 7.379 0.02 . 1 . . . . 23 LYS H . 7247 1 285 . 1 1 23 23 LYS HA H 1 4.082 0.02 . 1 . . . . 23 LYS HA . 7247 1 286 . 1 1 23 23 LYS HB2 H 1 1.984 0.02 . 2 . . . . 23 LYS HB2 . 7247 1 287 . 1 1 23 23 LYS HG2 H 1 1.594 0.02 . 1 . . . . 23 LYS HG2 . 7247 1 288 . 1 1 23 23 LYS HG3 H 1 1.426 0.02 . 1 . . . . 23 LYS HG3 . 7247 1 289 . 1 1 23 23 LYS HD2 H 1 1.739 0.02 . 2 . . . . 23 LYS HD2 . 7247 1 290 . 1 1 23 23 LYS HE2 H 1 3.007 0.02 . 2 . . . . 23 LYS HE2 . 7247 1 291 . 1 1 23 23 LYS C C 13 179.016 0.1 . 1 . . . . 23 LYS C . 7247 1 292 . 1 1 23 23 LYS CA C 13 59.244 0.1 . 1 . . . . 23 LYS CA . 7247 1 293 . 1 1 23 23 LYS CB C 13 32.648 0.1 . 1 . . . . 23 LYS CB . 7247 1 294 . 1 1 23 23 LYS CG C 13 24.948 0.1 . 1 . . . . 23 LYS CG . 7247 1 295 . 1 1 23 23 LYS CD C 13 29.497 0.1 . 1 . . . . 23 LYS CD . 7247 1 296 . 1 1 23 23 LYS CE C 13 42.021 0.1 . 1 . . . . 23 LYS CE . 7247 1 297 . 1 1 23 23 LYS N N 15 117.685 0.1 . 1 . . . . 23 LYS N . 7247 1 298 . 1 1 24 24 LYS H H 1 7.968 0.02 . 1 . . . . 24 LYS H . 7247 1 299 . 1 1 24 24 LYS HA H 1 4.222 0.02 . 1 . . . . 24 LYS HA . 7247 1 300 . 1 1 24 24 LYS HB2 H 1 1.898 0.02 . 2 . . . . 24 LYS HB2 . 7247 1 301 . 1 1 24 24 LYS HG2 H 1 1.582 0.02 . 2 . . . . 24 LYS HG2 . 7247 1 302 . 1 1 24 24 LYS HD2 H 1 1.737 0.02 . 2 . . . . 24 LYS HD2 . 7247 1 303 . 1 1 24 24 LYS HE2 H 1 2.974 0.02 . 2 . . . . 24 LYS HE2 . 7247 1 304 . 1 1 24 24 LYS C C 13 178.867 0.1 . 1 . . . . 24 LYS C . 7247 1 305 . 1 1 24 24 LYS CA C 13 57.594 0.1 . 1 . . . . 24 LYS CA . 7247 1 306 . 1 1 24 24 LYS CB C 13 32.376 0.1 . 1 . . . . 24 LYS CB . 7247 1 307 . 1 1 24 24 LYS CG C 13 25.425 0.1 . 1 . . . . 24 LYS CG . 7247 1 308 . 1 1 24 24 LYS CD C 13 28.7 0.1 . 1 . . . . 24 LYS CD . 7247 1 309 . 1 1 24 24 LYS CE C 13 42.179 0.1 . 1 . . . . 24 LYS CE . 7247 1 310 . 1 1 24 24 LYS N N 15 117.705 0.1 . 1 . . . . 24 LYS N . 7247 1 311 . 1 1 25 25 ALA H H 1 8.73 0.02 . 1 . . . . 25 ALA H . 7247 1 312 . 1 1 25 25 ALA HA H 1 4.125 0.02 . 1 . . . . 25 ALA HA . 7247 1 313 . 1 1 25 25 ALA HB1 H 1 1.573 0.02 . 1 . . . . 25 ALA HB . 7247 1 314 . 1 1 25 25 ALA HB2 H 1 1.573 0.02 . 1 . . . . 25 ALA HB . 7247 1 315 . 1 1 25 25 ALA HB3 H 1 1.573 0.02 . 1 . . . . 25 ALA HB . 7247 1 316 . 1 1 25 25 ALA C C 13 179.497 0.1 . 1 . . . . 25 ALA C . 7247 1 317 . 1 1 25 25 ALA CA C 13 54.873 0.1 . 1 . . . . 25 ALA CA . 7247 1 318 . 1 1 25 25 ALA CB C 13 17.886 0.1 . 1 . . . . 25 ALA CB . 7247 1 319 . 1 1 25 25 ALA N N 15 122.634 0.1 . 1 . . . . 25 ALA N . 7247 1 320 . 1 1 26 26 LYS H H 1 7.91 0.02 . 1 . . . . 26 LYS H . 7247 1 321 . 1 1 26 26 LYS HA H 1 4.165 0.02 . 1 . . . . 26 LYS HA . 7247 1 322 . 1 1 26 26 LYS HB2 H 1 1.943 0.02 . 2 . . . . 26 LYS HB2 . 7247 1 323 . 1 1 26 26 LYS HG2 H 1 1.487 0.02 . 2 . . . . 26 LYS HG2 . 7247 1 324 . 1 1 26 26 LYS HD2 H 1 1.728 0.02 . 2 . . . . 26 LYS HD2 . 7247 1 325 . 1 1 26 26 LYS HE2 H 1 2.98 0.02 . 2 . . . . 26 LYS HE2 . 7247 1 326 . 1 1 26 26 LYS C C 13 177.867 0.1 . 1 . . . . 26 LYS C . 7247 1 327 . 1 1 26 26 LYS CA C 13 57.204 0.1 . 1 . . . . 26 LYS CA . 7247 1 328 . 1 1 26 26 LYS CB C 13 32.704 0.1 . 1 . . . . 26 LYS CB . 7247 1 329 . 1 1 26 26 LYS CG C 13 24.813 0.1 . 1 . . . . 26 LYS CG . 7247 1 330 . 1 1 26 26 LYS CD C 13 28.988 0.1 . 1 . . . . 26 LYS CD . 7247 1 331 . 1 1 26 26 LYS CE C 13 42.102 0.1 . 1 . . . . 26 LYS CE . 7247 1 332 . 1 1 26 26 LYS N N 15 117.184 0.1 . 1 . . . . 26 LYS N . 7247 1 333 . 1 1 27 27 GLU H H 1 7.794 0.02 . 1 . . . . 27 GLU H . 7247 1 334 . 1 1 27 27 GLU HA H 1 4.276 0.02 . 1 . . . . 27 GLU HA . 7247 1 335 . 1 1 27 27 GLU HB2 H 1 2.149 0.02 . 2 . . . . 27 GLU HB2 . 7247 1 336 . 1 1 27 27 GLU HG2 H 1 2.462 0.02 . 1 . . . . 27 GLU HG2 . 7247 1 337 . 1 1 27 27 GLU HG3 H 1 2.327 0.02 . 1 . . . . 27 GLU HG3 . 7247 1 338 . 1 1 27 27 GLU C C 13 177.476 0.1 . 1 . . . . 27 GLU C . 7247 1 339 . 1 1 27 27 GLU CA C 13 56.98 0.1 . 1 . . . . 27 GLU CA . 7247 1 340 . 1 1 27 27 GLU CB C 13 30.215 0.1 . 1 . . . . 27 GLU CB . 7247 1 341 . 1 1 27 27 GLU CG C 13 36.109 0.1 . 1 . . . . 27 GLU CG . 7247 1 342 . 1 1 27 27 GLU N N 15 117.585 0.1 . 1 . . . . 27 GLU N . 7247 1 343 . 1 1 28 28 GLY H H 1 7.897 0.02 . 1 . . . . 28 GLY H . 7247 1 344 . 1 1 28 28 GLY HA2 H 1 4.01 0.02 . 1 . . . . 28 GLY HA2 . 7247 1 345 . 1 1 28 28 GLY HA3 H 1 3.903 0.02 . 1 . . . . 28 GLY HA3 . 7247 1 346 . 1 1 28 28 GLY C C 13 173.936 0.1 . 1 . . . . 28 GLY C . 7247 1 347 . 1 1 28 28 GLY CA C 13 45.936 0.1 . 1 . . . . 28 GLY CA . 7247 1 348 . 1 1 28 28 GLY N N 15 107.57 0.1 . 1 . . . . 28 GLY N . 7247 1 349 . 1 1 29 29 ASP H H 1 7.996 0.02 . 1 . . . . 29 ASP H . 7247 1 350 . 1 1 29 29 ASP HA H 1 4.796 0.02 . 1 . . . . 29 ASP HA . 7247 1 351 . 1 1 29 29 ASP HB2 H 1 2.941 0.02 . 1 . . . . 29 ASP HB2 . 7247 1 352 . 1 1 29 29 ASP HB3 H 1 2.652 0.02 . 1 . . . . 29 ASP HB3 . 7247 1 353 . 1 1 29 29 ASP C C 13 176.243 0.1 . 1 . . . . 29 ASP C . 7247 1 354 . 1 1 29 29 ASP CA C 13 52.934 0.1 . 1 . . . . 29 ASP CA . 7247 1 355 . 1 1 29 29 ASP CB C 13 40.845 0.1 . 1 . . . . 29 ASP CB . 7247 1 356 . 1 1 29 29 ASP N N 15 120.057 0.1 . 1 . . . . 29 ASP N . 7247 1 357 . 1 1 30 30 GLU H H 1 8.683 0.02 . 1 . . . . 30 GLU H . 7247 1 358 . 1 1 30 30 GLU HA H 1 4.015 0.02 . 1 . . . . 30 GLU HA . 7247 1 359 . 1 1 30 30 GLU HB2 H 1 2.103 0.02 . 2 . . . . 30 GLU HB2 . 7247 1 360 . 1 1 30 30 GLU HG2 H 1 2.374 0.02 . 2 . . . . 30 GLU HG2 . 7247 1 361 . 1 1 30 30 GLU C C 13 178.669 0.1 . 1 . . . . 30 GLU C . 7247 1 362 . 1 1 30 30 GLU CA C 13 59.294 0.1 . 1 . . . . 30 GLU CA . 7247 1 363 . 1 1 30 30 GLU CB C 13 29.425 0.1 . 1 . . . . 30 GLU CB . 7247 1 364 . 1 1 30 30 GLU CG C 13 36.129 0.1 . 1 . . . . 30 GLU CG . 7247 1 365 . 1 1 30 30 GLU N N 15 123.59 0.1 . 1 . . . . 30 GLU N . 7247 1 366 . 1 1 31 31 GLN H H 1 8.473 0.02 . 1 . . . . 31 GLN H . 7247 1 367 . 1 1 31 31 GLN HA H 1 4.188 0.02 . 1 . . . . 31 GLN HA . 7247 1 368 . 1 1 31 31 GLN HB2 H 1 2.174 0.02 . 2 . . . . 31 GLN HB2 . 7247 1 369 . 1 1 31 31 GLN HG2 H 1 2.449 0.02 . 2 . . . . 31 GLN HG2 . 7247 1 370 . 1 1 31 31 GLN HE21 H 1 7.454 0.02 . 2 . . . . 31 GLN HE21 . 7247 1 371 . 1 1 31 31 GLN HE22 H 1 6.723 0.02 . 2 . . . . 31 GLN HE22 . 7247 1 372 . 1 1 31 31 GLN C C 13 178.332 0.1 . 1 . . . . 31 GLN C . 7247 1 373 . 1 1 31 31 GLN CA C 13 58.535 0.1 . 1 . . . . 31 GLN CA . 7247 1 374 . 1 1 31 31 GLN CB C 13 28.402 0.1 . 1 . . . . 31 GLN CB . 7247 1 375 . 1 1 31 31 GLN CG C 13 34.272 0.1 . 1 . . . . 31 GLN CG . 7247 1 376 . 1 1 31 31 GLN N N 15 119.874 0.1 . 1 . . . . 31 GLN N . 7247 1 377 . 1 1 31 31 GLN NE2 N 15 110.928 0.1 . 1 . . . . 31 GLN NE2 . 7247 1 378 . 1 1 32 32 GLU H H 1 8.036 0.02 . 1 . . . . 32 GLU H . 7247 1 379 . 1 1 32 32 GLU HA H 1 4.332 0.02 . 1 . . . . 32 GLU HA . 7247 1 380 . 1 1 32 32 GLU HB2 H 1 1.997 0.02 . 2 . . . . 32 GLU HB2 . 7247 1 381 . 1 1 32 32 GLU HG2 H 1 2.305 0.02 . 2 . . . . 32 GLU HG2 . 7247 1 382 . 1 1 32 32 GLU C C 13 178.309 0.1 . 1 . . . . 32 GLU C . 7247 1 383 . 1 1 32 32 GLU CA C 13 57.627 0.1 . 1 . . . . 32 GLU CA . 7247 1 384 . 1 1 32 32 GLU CB C 13 29.583 0.1 . 1 . . . . 32 GLU CB . 7247 1 385 . 1 1 32 32 GLU CG C 13 35.782 0.1 . 1 . . . . 32 GLU CG . 7247 1 386 . 1 1 32 32 GLU N N 15 120.638 0.1 . 1 . . . . 32 GLU N . 7247 1 387 . 1 1 33 33 LEU H H 1 8.011 0.02 . 1 . . . . 33 LEU H . 7247 1 388 . 1 1 33 33 LEU HA H 1 3.89 0.02 . 1 . . . . 33 LEU HA . 7247 1 389 . 1 1 33 33 LEU HB2 H 1 1.561 0.02 . 2 . . . . 33 LEU HB2 . 7247 1 390 . 1 1 33 33 LEU HG H 1 1.538 0.02 . 1 . . . . 33 LEU HG . 7247 1 391 . 1 1 33 33 LEU HD11 H 1 0.711 0.02 . 1 . . . . 33 LEU HD1 . 7247 1 392 . 1 1 33 33 LEU HD12 H 1 0.711 0.02 . 1 . . . . 33 LEU HD1 . 7247 1 393 . 1 1 33 33 LEU HD13 H 1 0.711 0.02 . 1 . . . . 33 LEU HD1 . 7247 1 394 . 1 1 33 33 LEU HD21 H 1 0.557 0.02 . 1 . . . . 33 LEU HD2 . 7247 1 395 . 1 1 33 33 LEU HD22 H 1 0.557 0.02 . 1 . . . . 33 LEU HD2 . 7247 1 396 . 1 1 33 33 LEU HD23 H 1 0.557 0.02 . 1 . . . . 33 LEU HD2 . 7247 1 397 . 1 1 33 33 LEU C C 13 177.832 0.1 . 1 . . . . 33 LEU C . 7247 1 398 . 1 1 33 33 LEU CA C 13 58.422 0.1 . 1 . . . . 33 LEU CA . 7247 1 399 . 1 1 33 33 LEU CB C 13 41.477 0.1 . 1 . . . . 33 LEU CB . 7247 1 400 . 1 1 33 33 LEU CG C 13 26.879 0.1 . 1 . . . . 33 LEU CG . 7247 1 401 . 1 1 33 33 LEU CD1 C 13 24.391 0.1 . 1 . . . . 33 LEU CD1 . 7247 1 402 . 1 1 33 33 LEU CD2 C 13 24.455 0.1 . 1 . . . . 33 LEU CD2 . 7247 1 403 . 1 1 33 33 LEU N N 15 120.096 0.1 . 1 . . . . 33 LEU N . 7247 1 404 . 1 1 34 34 ALA H H 1 7.936 0.02 . 1 . . . . 34 ALA H . 7247 1 405 . 1 1 34 34 ALA HA H 1 3.976 0.02 . 1 . . . . 34 ALA HA . 7247 1 406 . 1 1 34 34 ALA HB1 H 1 1.486 0.02 . 1 . . . . 34 ALA HB . 7247 1 407 . 1 1 34 34 ALA HB2 H 1 1.486 0.02 . 1 . . . . 34 ALA HB . 7247 1 408 . 1 1 34 34 ALA HB3 H 1 1.486 0.02 . 1 . . . . 34 ALA HB . 7247 1 409 . 1 1 34 34 ALA C C 13 180.689 0.1 . 1 . . . . 34 ALA C . 7247 1 410 . 1 1 34 34 ALA CA C 13 55.456 0.1 . 1 . . . . 34 ALA CA . 7247 1 411 . 1 1 34 34 ALA CB C 13 17.727 0.1 . 1 . . . . 34 ALA CB . 7247 1 412 . 1 1 34 34 ALA N N 15 118.992 0.1 . 1 . . . . 34 ALA N . 7247 1 413 . 1 1 35 35 ARG H H 1 7.571 0.02 . 1 . . . . 35 ARG H . 7247 1 414 . 1 1 35 35 ARG HA H 1 4.095 0.02 . 1 . . . . 35 ARG HA . 7247 1 415 . 1 1 35 35 ARG HB2 H 1 1.969 0.02 . 2 . . . . 35 ARG HB2 . 7247 1 416 . 1 1 35 35 ARG HG2 H 1 1.748 0.02 . 1 . . . . 35 ARG HG2 . 7247 1 417 . 1 1 35 35 ARG HG3 H 1 1.595 0.02 . 1 . . . . 35 ARG HG3 . 7247 1 418 . 1 1 35 35 ARG HD2 H 1 3.298 0.02 . 1 . . . . 35 ARG HD2 . 7247 1 419 . 1 1 35 35 ARG HD3 H 1 3.187 0.02 . 1 . . . . 35 ARG HD3 . 7247 1 420 . 1 1 35 35 ARG C C 13 179.277 0.1 . 1 . . . . 35 ARG C . 7247 1 421 . 1 1 35 35 ARG CA C 13 59.072 0.1 . 1 . . . . 35 ARG CA . 7247 1 422 . 1 1 35 35 ARG CB C 13 30.149 0.1 . 1 . . . . 35 ARG CB . 7247 1 423 . 1 1 35 35 ARG CG C 13 27.6 0.1 . 1 . . . . 35 ARG CG . 7247 1 424 . 1 1 35 35 ARG CD C 13 43.144 0.1 . 1 . . . . 35 ARG CD . 7247 1 425 . 1 1 35 35 ARG N N 15 118.343 0.1 . 1 . . . . 35 ARG N . 7247 1 426 . 1 1 36 36 LEU H H 1 8.167 0.02 . 1 . . . . 36 LEU H . 7247 1 427 . 1 1 36 36 LEU HA H 1 4.071 0.02 . 1 . . . . 36 LEU HA . 7247 1 428 . 1 1 36 36 LEU HB2 H 1 1.999 0.02 . 1 . . . . 36 LEU HB2 . 7247 1 429 . 1 1 36 36 LEU HB3 H 1 1.429 0.02 . 1 . . . . 36 LEU HB3 . 7247 1 430 . 1 1 36 36 LEU HG H 1 1.859 0.02 . 1 . . . . 36 LEU HG . 7247 1 431 . 1 1 36 36 LEU HD11 H 1 0.853 0.02 . 1 . . . . 36 LEU HD1 . 7247 1 432 . 1 1 36 36 LEU HD12 H 1 0.853 0.02 . 1 . . . . 36 LEU HD1 . 7247 1 433 . 1 1 36 36 LEU HD13 H 1 0.853 0.02 . 1 . . . . 36 LEU HD1 . 7247 1 434 . 1 1 36 36 LEU HD21 H 1 0.894 0.02 . 1 . . . . 36 LEU HD2 . 7247 1 435 . 1 1 36 36 LEU HD22 H 1 0.894 0.02 . 1 . . . . 36 LEU HD2 . 7247 1 436 . 1 1 36 36 LEU HD23 H 1 0.894 0.02 . 1 . . . . 36 LEU HD2 . 7247 1 437 . 1 1 36 36 LEU C C 13 179.422 0.1 . 1 . . . . 36 LEU C . 7247 1 438 . 1 1 36 36 LEU CA C 13 57.635 0.1 . 1 . . . . 36 LEU CA . 7247 1 439 . 1 1 36 36 LEU CB C 13 42.177 0.1 . 1 . . . . 36 LEU CB . 7247 1 440 . 1 1 36 36 LEU CG C 13 26.99 0.1 . 1 . . . . 36 LEU CG . 7247 1 441 . 1 1 36 36 LEU CD1 C 13 25.873 0.1 . 1 . . . . 36 LEU CD1 . 7247 1 442 . 1 1 36 36 LEU CD2 C 13 22.825 0.1 . 1 . . . . 36 LEU CD2 . 7247 1 443 . 1 1 36 36 LEU N N 15 120.444 0.1 . 1 . . . . 36 LEU N . 7247 1 444 . 1 1 37 37 ILE H H 1 8.53 0.02 . 1 . . . . 37 ILE H . 7247 1 445 . 1 1 37 37 ILE HA H 1 3.717 0.02 . 1 . . . . 37 ILE HA . 7247 1 446 . 1 1 37 37 ILE HB H 1 1.916 0.02 . 1 . . . . 37 ILE HB . 7247 1 447 . 1 1 37 37 ILE HG12 H 1 1.615 0.02 . 1 . . . . 37 ILE HG12 . 7247 1 448 . 1 1 37 37 ILE HG13 H 1 0.957 0.02 . 1 . . . . 37 ILE HG13 . 7247 1 449 . 1 1 37 37 ILE HG21 H 1 0.917 0.02 . 1 . . . . 37 ILE HG2 . 7247 1 450 . 1 1 37 37 ILE HG22 H 1 0.917 0.02 . 1 . . . . 37 ILE HG2 . 7247 1 451 . 1 1 37 37 ILE HG23 H 1 0.917 0.02 . 1 . . . . 37 ILE HG2 . 7247 1 452 . 1 1 37 37 ILE HD11 H 1 0.523 0.02 . 1 . . . . 37 ILE HD1 . 7247 1 453 . 1 1 37 37 ILE HD12 H 1 0.523 0.02 . 1 . . . . 37 ILE HD1 . 7247 1 454 . 1 1 37 37 ILE HD13 H 1 0.523 0.02 . 1 . . . . 37 ILE HD1 . 7247 1 455 . 1 1 37 37 ILE C C 13 177.746 0.1 . 1 . . . . 37 ILE C . 7247 1 456 . 1 1 37 37 ILE CA C 13 65.478 0.1 . 1 . . . . 37 ILE CA . 7247 1 457 . 1 1 37 37 ILE CB C 13 37.36 0.1 . 1 . . . . 37 ILE CB . 7247 1 458 . 1 1 37 37 ILE CG1 C 13 30.427 0.1 . 1 . . . . 37 ILE CG1 . 7247 1 459 . 1 1 37 37 ILE CG2 C 13 17.642 0.1 . 1 . . . . 37 ILE CG2 . 7247 1 460 . 1 1 37 37 ILE CD1 C 13 12.911 0.1 . 1 . . . . 37 ILE CD1 . 7247 1 461 . 1 1 37 37 ILE N N 15 119.213 0.1 . 1 . . . . 37 ILE N . 7247 1 462 . 1 1 38 38 GLN H H 1 7.518 0.02 . 1 . . . . 38 GLN H . 7247 1 463 . 1 1 38 38 GLN HA H 1 4.045 0.02 . 1 . . . . 38 GLN HA . 7247 1 464 . 1 1 38 38 GLN HB2 H 1 2.305 0.02 . 1 . . . . 38 GLN HB2 . 7247 1 465 . 1 1 38 38 GLN HB3 H 1 2.177 0.02 . 1 . . . . 38 GLN HB3 . 7247 1 466 . 1 1 38 38 GLN HG2 H 1 2.514 0.02 . 2 . . . . 38 GLN HG2 . 7247 1 467 . 1 1 38 38 GLN HE21 H 1 7.556 0.02 . 2 . . . . 38 GLN HE21 . 7247 1 468 . 1 1 38 38 GLN HE22 H 1 6.869 0.02 . 2 . . . . 38 GLN HE22 . 7247 1 469 . 1 1 38 38 GLN C C 13 179.263 0.1 . 1 . . . . 38 GLN C . 7247 1 470 . 1 1 38 38 GLN CA C 13 58.979 0.1 . 1 . . . . 38 GLN CA . 7247 1 471 . 1 1 38 38 GLN CB C 13 28.051 0.1 . 1 . . . . 38 GLN CB . 7247 1 472 . 1 1 38 38 GLN CG C 13 33.905 0.1 . 1 . . . . 38 GLN CG . 7247 1 473 . 1 1 38 38 GLN N N 15 117.202 0.1 . 1 . . . . 38 GLN N . 7247 1 474 . 1 1 38 38 GLN NE2 N 15 112.016 0.1 . 1 . . . . 38 GLN NE2 . 7247 1 475 . 1 1 39 39 GLU H H 1 7.668 0.02 . 1 . . . . 39 GLU H . 7247 1 476 . 1 1 39 39 GLU HA H 1 4.105 0.02 . 1 . . . . 39 GLU HA . 7247 1 477 . 1 1 39 39 GLU HB2 H 1 2.217 0.02 . 2 . . . . 39 GLU HB2 . 7247 1 478 . 1 1 39 39 GLU HG2 H 1 2.394 0.02 . 2 . . . . 39 GLU HG2 . 7247 1 479 . 1 1 39 39 GLU C C 13 179.59 0.1 . 1 . . . . 39 GLU C . 7247 1 480 . 1 1 39 39 GLU CA C 13 59.023 0.1 . 1 . . . . 39 GLU CA . 7247 1 481 . 1 1 39 39 GLU CB C 13 29.182 0.1 . 1 . . . . 39 GLU CB . 7247 1 482 . 1 1 39 39 GLU CG C 13 35.648 0.1 . 1 . . . . 39 GLU CG . 7247 1 483 . 1 1 39 39 GLU N N 15 118.937 0.1 . 1 . . . . 39 GLU N . 7247 1 484 . 1 1 40 40 ILE H H 1 8.355 0.02 . 1 . . . . 40 ILE H . 7247 1 485 . 1 1 40 40 ILE HA H 1 3.718 0.02 . 1 . . . . 40 ILE HA . 7247 1 486 . 1 1 40 40 ILE HB H 1 1.977 0.02 . 1 . . . . 40 ILE HB . 7247 1 487 . 1 1 40 40 ILE HG12 H 1 0.668 0.02 . 2 . . . . 40 ILE HG12 . 7247 1 488 . 1 1 40 40 ILE HG21 H 1 0.889 0.02 . 1 . . . . 40 ILE HG2 . 7247 1 489 . 1 1 40 40 ILE HG22 H 1 0.889 0.02 . 1 . . . . 40 ILE HG2 . 7247 1 490 . 1 1 40 40 ILE HG23 H 1 0.889 0.02 . 1 . . . . 40 ILE HG2 . 7247 1 491 . 1 1 40 40 ILE HD11 H 1 0.809 0.02 . 1 . . . . 40 ILE HD1 . 7247 1 492 . 1 1 40 40 ILE HD12 H 1 0.809 0.02 . 1 . . . . 40 ILE HD1 . 7247 1 493 . 1 1 40 40 ILE HD13 H 1 0.809 0.02 . 1 . . . . 40 ILE HD1 . 7247 1 494 . 1 1 40 40 ILE C C 13 177.92 0.1 . 1 . . . . 40 ILE C . 7247 1 495 . 1 1 40 40 ILE CA C 13 64.397 0.1 . 1 . . . . 40 ILE CA . 7247 1 496 . 1 1 40 40 ILE CB C 13 37.448 0.1 . 1 . . . . 40 ILE CB . 7247 1 497 . 1 1 40 40 ILE CG1 C 13 28.716 0.1 . 1 . . . . 40 ILE CG1 . 7247 1 498 . 1 1 40 40 ILE CG2 C 13 21.089 0.1 . 1 . . . . 40 ILE CG2 . 7247 1 499 . 1 1 40 40 ILE CD1 C 13 14.716 0.1 . 1 . . . . 40 ILE CD1 . 7247 1 500 . 1 1 40 40 ILE N N 15 121.459 0.1 . 1 . . . . 40 ILE N . 7247 1 501 . 1 1 41 41 VAL H H 1 8.516 0.02 . 1 . . . . 41 VAL H . 7247 1 502 . 1 1 41 41 VAL HA H 1 3.447 0.02 . 1 . . . . 41 VAL HA . 7247 1 503 . 1 1 41 41 VAL HB H 1 2.195 0.02 . 1 . . . . 41 VAL HB . 7247 1 504 . 1 1 41 41 VAL HG11 H 1 0.997 0.02 . 1 . . . . 41 VAL HG1 . 7247 1 505 . 1 1 41 41 VAL HG12 H 1 0.997 0.02 . 1 . . . . 41 VAL HG1 . 7247 1 506 . 1 1 41 41 VAL HG13 H 1 0.997 0.02 . 1 . . . . 41 VAL HG1 . 7247 1 507 . 1 1 41 41 VAL HG21 H 1 1.141 0.02 . 1 . . . . 41 VAL HG2 . 7247 1 508 . 1 1 41 41 VAL HG22 H 1 1.141 0.02 . 1 . . . . 41 VAL HG2 . 7247 1 509 . 1 1 41 41 VAL HG23 H 1 1.141 0.02 . 1 . . . . 41 VAL HG2 . 7247 1 510 . 1 1 41 41 VAL C C 13 178.02 0.1 . 1 . . . . 41 VAL C . 7247 1 511 . 1 1 41 41 VAL CA C 13 67.951 0.1 . 1 . . . . 41 VAL CA . 7247 1 512 . 1 1 41 41 VAL CB C 13 31.52 0.1 . 1 . . . . 41 VAL CB . 7247 1 513 . 1 1 41 41 VAL CG1 C 13 21.681 0.1 . 1 . . . . 41 VAL CG1 . 7247 1 514 . 1 1 41 41 VAL CG2 C 13 24.16 0.1 . 1 . . . . 41 VAL CG2 . 7247 1 515 . 1 1 41 41 VAL N N 15 121.398 0.1 . 1 . . . . 41 VAL N . 7247 1 516 . 1 1 42 42 LYS H H 1 7.583 0.02 . 1 . . . . 42 LYS H . 7247 1 517 . 1 1 42 42 LYS HA H 1 3.942 0.02 . 1 . . . . 42 LYS HA . 7247 1 518 . 1 1 42 42 LYS HB2 H 1 1.958 0.02 . 2 . . . . 42 LYS HB2 . 7247 1 519 . 1 1 42 42 LYS HG2 H 1 1.677 0.02 . 1 . . . . 42 LYS HG2 . 7247 1 520 . 1 1 42 42 LYS HG3 H 1 1.438 0.02 . 1 . . . . 42 LYS HG3 . 7247 1 521 . 1 1 42 42 LYS HD2 H 1 1.704 0.02 . 2 . . . . 42 LYS HD2 . 7247 1 522 . 1 1 42 42 LYS HE2 H 1 2.931 0.02 . 2 . . . . 42 LYS HE2 . 7247 1 523 . 1 1 42 42 LYS C C 13 179.247 0.1 . 1 . . . . 42 LYS C . 7247 1 524 . 1 1 42 42 LYS CA C 13 60.419 0.1 . 1 . . . . 42 LYS CA . 7247 1 525 . 1 1 42 42 LYS CB C 13 32.421 0.1 . 1 . . . . 42 LYS CB . 7247 1 526 . 1 1 42 42 LYS CG C 13 25.415 0.1 . 1 . . . . 42 LYS CG . 7247 1 527 . 1 1 42 42 LYS CD C 13 29.668 0.1 . 1 . . . . 42 LYS CD . 7247 1 528 . 1 1 42 42 LYS CE C 13 41.974 0.1 . 1 . . . . 42 LYS CE . 7247 1 529 . 1 1 42 42 LYS N N 15 118.192 0.1 . 1 . . . . 42 LYS N . 7247 1 530 . 1 1 43 43 ALA H H 1 7.798 0.02 . 1 . . . . 43 ALA H . 7247 1 531 . 1 1 43 43 ALA HA H 1 4.244 0.02 . 1 . . . . 43 ALA HA . 7247 1 532 . 1 1 43 43 ALA HB1 H 1 1.545 0.02 . 1 . . . . 43 ALA HB . 7247 1 533 . 1 1 43 43 ALA HB2 H 1 1.545 0.02 . 1 . . . . 43 ALA HB . 7247 1 534 . 1 1 43 43 ALA HB3 H 1 1.545 0.02 . 1 . . . . 43 ALA HB . 7247 1 535 . 1 1 43 43 ALA C C 13 181.707 0.1 . 1 . . . . 43 ALA C . 7247 1 536 . 1 1 43 43 ALA CA C 13 55.121 0.1 . 1 . . . . 43 ALA CA . 7247 1 537 . 1 1 43 43 ALA CB C 13 17.777 0.1 . 1 . . . . 43 ALA CB . 7247 1 538 . 1 1 43 43 ALA N N 15 122.591 0.1 . 1 . . . . 43 ALA N . 7247 1 539 . 1 1 44 44 GLU H H 1 8.805 0.02 . 1 . . . . 44 GLU H . 7247 1 540 . 1 1 44 44 GLU HA H 1 4.712 0.02 . 1 . . . . 44 GLU HA . 7247 1 541 . 1 1 44 44 GLU HB2 H 1 2.306 0.02 . 1 . . . . 44 GLU HB2 . 7247 1 542 . 1 1 44 44 GLU HB3 H 1 2.077 0.02 . 1 . . . . 44 GLU HB3 . 7247 1 543 . 1 1 44 44 GLU HG2 H 1 2.576 0.02 . 1 . . . . 44 GLU HG2 . 7247 1 544 . 1 1 44 44 GLU HG3 H 1 2.362 0.02 . 1 . . . . 44 GLU HG3 . 7247 1 545 . 1 1 44 44 GLU C C 13 179.01 0.1 . 1 . . . . 44 GLU C . 7247 1 546 . 1 1 44 44 GLU CA C 13 58.769 0.1 . 1 . . . . 44 GLU CA . 7247 1 547 . 1 1 44 44 GLU CB C 13 29.678 0.1 . 1 . . . . 44 GLU CB . 7247 1 548 . 1 1 44 44 GLU CG C 13 32.251 0.1 . 1 . . . . 44 GLU CG . 7247 1 549 . 1 1 44 44 GLU N N 15 120.639 0.1 . 1 . . . . 44 GLU N . 7247 1 550 . 1 1 45 45 LYS H H 1 8.827 0.02 . 1 . . . . 45 LYS H . 7247 1 551 . 1 1 45 45 LYS HA H 1 3.919 0.02 . 1 . . . . 45 LYS HA . 7247 1 552 . 1 1 45 45 LYS HB2 H 1 2.028 0.02 . 1 . . . . 45 LYS HB2 . 7247 1 553 . 1 1 45 45 LYS HB3 H 1 2.406 0.02 . 1 . . . . 45 LYS HB3 . 7247 1 554 . 1 1 45 45 LYS HG3 H 1 1.448 0.02 . 2 . . . . 45 LYS HG3 . 7247 1 555 . 1 1 45 45 LYS HD2 H 1 1.833 0.02 . 1 . . . . 45 LYS HD2 . 7247 1 556 . 1 1 45 45 LYS HD3 H 1 1.673 0.02 . 1 . . . . 45 LYS HD3 . 7247 1 557 . 1 1 45 45 LYS C C 13 180.225 0.1 . 1 . . . . 45 LYS C . 7247 1 558 . 1 1 45 45 LYS CA C 13 60.342 0.1 . 1 . . . . 45 LYS CA . 7247 1 559 . 1 1 45 45 LYS CB C 13 32.258 0.1 . 1 . . . . 45 LYS CB . 7247 1 560 . 1 1 45 45 LYS CG C 13 26.862 0.1 . 1 . . . . 45 LYS CG . 7247 1 561 . 1 1 45 45 LYS CD C 13 29.729 0.1 . 1 . . . . 45 LYS CD . 7247 1 562 . 1 1 45 45 LYS CE C 13 41.758 0.1 . 1 . . . . 45 LYS CE . 7247 1 563 . 1 1 45 45 LYS N N 15 119.127 0.1 . 1 . . . . 45 LYS N . 7247 1 564 . 1 1 46 46 GLN H H 1 8.001 0.02 . 1 . . . . 46 GLN H . 7247 1 565 . 1 1 46 46 GLN HA H 1 4.217 0.02 . 1 . . . . 46 GLN HA . 7247 1 566 . 1 1 46 46 GLN HB2 H 1 2.28 0.02 . 1 . . . . 46 GLN HB2 . 7247 1 567 . 1 1 46 46 GLN HB3 H 1 2.221 0.02 . 1 . . . . 46 GLN HB3 . 7247 1 568 . 1 1 46 46 GLN HG2 H 1 2.612 0.02 . 1 . . . . 46 GLN HG2 . 7247 1 569 . 1 1 46 46 GLN HG3 H 1 2.386 0.02 . 1 . . . . 46 GLN HG3 . 7247 1 570 . 1 1 46 46 GLN HE21 H 1 7.33 0.02 . 1 . . . . 46 GLN HE21 . 7247 1 571 . 1 1 46 46 GLN HE22 H 1 6.907 0.02 . 1 . . . . 46 GLN HE22 . 7247 1 572 . 1 1 46 46 GLN C C 13 177.491 0.1 . 1 . . . . 46 GLN C . 7247 1 573 . 1 1 46 46 GLN CA C 13 58.407 0.1 . 1 . . . . 46 GLN CA . 7247 1 574 . 1 1 46 46 GLN CB C 13 27.426 0.1 . 1 . . . . 46 GLN CB . 7247 1 575 . 1 1 46 46 GLN CG C 13 33.201 0.1 . 1 . . . . 46 GLN CG . 7247 1 576 . 1 1 46 46 GLN N N 15 120.786 0.1 . 1 . . . . 46 GLN N . 7247 1 577 . 1 1 46 46 GLN NE2 N 15 110.9 0.1 . 1 . . . . 46 GLN NE2 . 7247 1 578 . 1 1 47 47 ALA H H 1 7.826 0.02 . 1 . . . . 47 ALA H . 7247 1 579 . 1 1 47 47 ALA HA H 1 4.134 0.02 . 1 . . . . 47 ALA HA . 7247 1 580 . 1 1 47 47 ALA HB1 H 1 1.63 0.02 . 1 . . . . 47 ALA HB . 7247 1 581 . 1 1 47 47 ALA HB2 H 1 1.63 0.02 . 1 . . . . 47 ALA HB . 7247 1 582 . 1 1 47 47 ALA HB3 H 1 1.63 0.02 . 1 . . . . 47 ALA HB . 7247 1 583 . 1 1 47 47 ALA C C 13 178.738 0.1 . 1 . . . . 47 ALA C . 7247 1 584 . 1 1 47 47 ALA CA C 13 55.587 0.1 . 1 . . . . 47 ALA CA . 7247 1 585 . 1 1 47 47 ALA CB C 13 16.248 0.1 . 1 . . . . 47 ALA CB . 7247 1 586 . 1 1 47 47 ALA N N 15 122.406 0.1 . 1 . . . . 47 ALA N . 7247 1 587 . 1 1 48 48 VAL H H 1 8.61 0.02 . 1 . . . . 48 VAL H . 7247 1 588 . 1 1 48 48 VAL HA H 1 3.474 0.02 . 1 . . . . 48 VAL HA . 7247 1 589 . 1 1 48 48 VAL HB H 1 2.192 0.02 . 1 . . . . 48 VAL HB . 7247 1 590 . 1 1 48 48 VAL HG11 H 1 0.947 0.02 . 1 . . . . 48 VAL HG1 . 7247 1 591 . 1 1 48 48 VAL HG12 H 1 0.947 0.02 . 1 . . . . 48 VAL HG1 . 7247 1 592 . 1 1 48 48 VAL HG13 H 1 0.947 0.02 . 1 . . . . 48 VAL HG1 . 7247 1 593 . 1 1 48 48 VAL HG21 H 1 1.047 0.02 . 1 . . . . 48 VAL HG2 . 7247 1 594 . 1 1 48 48 VAL HG22 H 1 1.047 0.02 . 1 . . . . 48 VAL HG2 . 7247 1 595 . 1 1 48 48 VAL HG23 H 1 1.047 0.02 . 1 . . . . 48 VAL HG2 . 7247 1 596 . 1 1 48 48 VAL C C 13 176.926 0.1 . 1 . . . . 48 VAL C . 7247 1 597 . 1 1 48 48 VAL CA C 13 67.682 0.1 . 1 . . . . 48 VAL CA . 7247 1 598 . 1 1 48 48 VAL CB C 13 31.711 0.1 . 1 . . . . 48 VAL CB . 7247 1 599 . 1 1 48 48 VAL CG1 C 13 21.13 0.1 . 1 . . . . 48 VAL CG1 . 7247 1 600 . 1 1 48 48 VAL CG2 C 13 24.372 0.1 . 1 . . . . 48 VAL CG2 . 7247 1 601 . 1 1 48 48 VAL N N 15 117.912 0.1 . 1 . . . . 48 VAL N . 7247 1 602 . 1 1 49 49 LYS H H 1 7.737 0.02 . 1 . . . . 49 LYS H . 7247 1 603 . 1 1 49 49 LYS HA H 1 3.95 0.02 . 1 . . . . 49 LYS HA . 7247 1 604 . 1 1 49 49 LYS HB2 H 1 2.065 0.02 . 1 . . . . 49 LYS HB2 . 7247 1 605 . 1 1 49 49 LYS HB3 H 1 1.962 0.02 . 1 . . . . 49 LYS HB3 . 7247 1 606 . 1 1 49 49 LYS HG2 H 1 1.567 0.02 . 1 . . . . 49 LYS HG2 . 7247 1 607 . 1 1 49 49 LYS HG3 H 1 1.322 0.02 . 1 . . . . 49 LYS HG3 . 7247 1 608 . 1 1 49 49 LYS HD2 H 1 1.682 0.02 . 1 . . . . 49 LYS HD2 . 7247 1 609 . 1 1 49 49 LYS HD3 H 1 1.558 0.02 . 1 . . . . 49 LYS HD3 . 7247 1 610 . 1 1 49 49 LYS C C 13 179.92 0.1 . 1 . . . . 49 LYS C . 7247 1 611 . 1 1 49 49 LYS CA C 13 60.322 0.1 . 1 . . . . 49 LYS CA . 7247 1 612 . 1 1 49 49 LYS CB C 13 32.676 0.1 . 1 . . . . 49 LYS CB . 7247 1 613 . 1 1 49 49 LYS CG C 13 24.892 0.1 . 1 . . . . 49 LYS CG . 7247 1 614 . 1 1 49 49 LYS CD C 13 29.622 0.1 . 1 . . . . 49 LYS CD . 7247 1 615 . 1 1 49 49 LYS CE C 13 42.149 0.1 . 1 . . . . 49 LYS CE . 7247 1 616 . 1 1 49 49 LYS N N 15 117.909 0.1 . 1 . . . . 49 LYS N . 7247 1 617 . 1 1 50 50 VAL H H 1 8.106 0.02 . 1 . . . . 50 VAL H . 7247 1 618 . 1 1 50 50 VAL HA H 1 4.084 0.02 . 1 . . . . 50 VAL HA . 7247 1 619 . 1 1 50 50 VAL HB H 1 2.067 0.02 . 1 . . . . 50 VAL HB . 7247 1 620 . 1 1 50 50 VAL HG11 H 1 0.98 0.02 . 1 . . . . 50 VAL HG1 . 7247 1 621 . 1 1 50 50 VAL HG12 H 1 0.98 0.02 . 1 . . . . 50 VAL HG1 . 7247 1 622 . 1 1 50 50 VAL HG13 H 1 0.98 0.02 . 1 . . . . 50 VAL HG1 . 7247 1 623 . 1 1 50 50 VAL HG21 H 1 1.059 0.02 . 1 . . . . 50 VAL HG2 . 7247 1 624 . 1 1 50 50 VAL HG22 H 1 1.059 0.02 . 1 . . . . 50 VAL HG2 . 7247 1 625 . 1 1 50 50 VAL HG23 H 1 1.059 0.02 . 1 . . . . 50 VAL HG2 . 7247 1 626 . 1 1 50 50 VAL C C 13 179.682 0.1 . 1 . . . . 50 VAL C . 7247 1 627 . 1 1 50 50 VAL CA C 13 65.246 0.1 . 1 . . . . 50 VAL CA . 7247 1 628 . 1 1 50 50 VAL CB C 13 31.201 0.1 . 1 . . . . 50 VAL CB . 7247 1 629 . 1 1 50 50 VAL CG1 C 13 22.444 0.1 . 1 . . . . 50 VAL CG1 . 7247 1 630 . 1 1 50 50 VAL CG2 C 13 20.666 0.1 . 1 . . . . 50 VAL CG2 . 7247 1 631 . 1 1 50 50 VAL N N 15 114.318 0.1 . 1 . . . . 50 VAL N . 7247 1 632 . 1 1 51 51 TYR H H 1 8.807 0.02 . 1 . . . . 51 TYR H . 7247 1 633 . 1 1 51 51 TYR HA H 1 4.15 0.02 . 1 . . . . 51 TYR HA . 7247 1 634 . 1 1 51 51 TYR HB2 H 1 3.056 0.02 . 1 . . . . 51 TYR HB2 . 7247 1 635 . 1 1 51 51 TYR HB3 H 1 2.832 0.02 . 1 . . . . 51 TYR HB3 . 7247 1 636 . 1 1 51 51 TYR HD1 H 1 7.244 0.02 . 1 . . . . 51 TYR HD1 . 7247 1 637 . 1 1 51 51 TYR HD2 H 1 7.244 0.02 . 1 . . . . 51 TYR HD2 . 7247 1 638 . 1 1 51 51 TYR HE1 H 1 6.751 0.02 . 1 . . . . 51 TYR HE1 . 7247 1 639 . 1 1 51 51 TYR HE2 H 1 6.751 0.02 . 1 . . . . 51 TYR HE2 . 7247 1 640 . 1 1 51 51 TYR C C 13 178.337 0.1 . 1 . . . . 51 TYR C . 7247 1 641 . 1 1 51 51 TYR CA C 13 64.444 0.1 . 1 . . . . 51 TYR CA . 7247 1 642 . 1 1 51 51 TYR CB C 13 38.276 0.1 . 1 . . . . 51 TYR CB . 7247 1 643 . 1 1 51 51 TYR CD1 C 13 131.998 0.1 . 1 . . . . 51 TYR CD1 . 7247 1 644 . 1 1 51 51 TYR CD2 C 13 131.998 0.1 . 1 . . . . 51 TYR CD2 . 7247 1 645 . 1 1 51 51 TYR CE1 C 13 119.461 0.1 . 1 . . . . 51 TYR CE1 . 7247 1 646 . 1 1 51 51 TYR CE2 C 13 119.461 0.1 . 1 . . . . 51 TYR CE2 . 7247 1 647 . 1 1 51 51 TYR N N 15 123.249 0.1 . 1 . . . . 51 TYR N . 7247 1 648 . 1 1 52 52 LYS H H 1 8.849 0.02 . 1 . . . . 52 LYS H . 7247 1 649 . 1 1 52 52 LYS HA H 1 3.968 0.02 . 1 . . . . 52 LYS HA . 7247 1 650 . 1 1 52 52 LYS HB2 H 1 2.01 0.02 . 1 . . . . 52 LYS HB2 . 7247 1 651 . 1 1 52 52 LYS HB3 H 1 1.888 0.02 . 1 . . . . 52 LYS HB3 . 7247 1 652 . 1 1 52 52 LYS HG2 H 1 1.739 0.02 . 1 . . . . 52 LYS HG2 . 7247 1 653 . 1 1 52 52 LYS HG3 H 1 1.438 0.02 . 1 . . . . 52 LYS HG3 . 7247 1 654 . 1 1 52 52 LYS HD2 H 1 1.681 0.02 . 2 . . . . 52 LYS HD2 . 7247 1 655 . 1 1 52 52 LYS C C 13 179.894 0.1 . 1 . . . . 52 LYS C . 7247 1 656 . 1 1 52 52 LYS CA C 13 60.525 0.1 . 1 . . . . 52 LYS CA . 7247 1 657 . 1 1 52 52 LYS CB C 13 32.43 0.1 . 1 . . . . 52 LYS CB . 7247 1 658 . 1 1 52 52 LYS CG C 13 26.695 0.1 . 1 . . . . 52 LYS CG . 7247 1 659 . 1 1 52 52 LYS CD C 13 29.727 0.1 . 1 . . . . 52 LYS CD . 7247 1 660 . 1 1 52 52 LYS CE C 13 41.831 0.1 . 1 . . . . 52 LYS CE . 7247 1 661 . 1 1 52 52 LYS N N 15 120.548 0.1 . 1 . . . . 52 LYS N . 7247 1 662 . 1 1 53 53 GLU H H 1 7.622 0.02 . 1 . . . . 53 GLU H . 7247 1 663 . 1 1 53 53 GLU HA H 1 4.077 0.02 . 1 . . . . 53 GLU HA . 7247 1 664 . 1 1 53 53 GLU HB2 H 1 2.117 0.02 . 2 . . . . 53 GLU HB2 . 7247 1 665 . 1 1 53 53 GLU HG2 H 1 2.496 0.02 . 1 . . . . 53 GLU HG2 . 7247 1 666 . 1 1 53 53 GLU HG3 H 1 2.265 0.02 . 1 . . . . 53 GLU HG3 . 7247 1 667 . 1 1 53 53 GLU C C 13 178.807 0.1 . 1 . . . . 53 GLU C . 7247 1 668 . 1 1 53 53 GLU CA C 13 58.867 0.1 . 1 . . . . 53 GLU CA . 7247 1 669 . 1 1 53 53 GLU CB C 13 29.284 0.1 . 1 . . . . 53 GLU CB . 7247 1 670 . 1 1 53 53 GLU CG C 13 35.629 0.1 . 1 . . . . 53 GLU CG . 7247 1 671 . 1 1 53 53 GLU N N 15 118.839 0.1 . 1 . . . . 53 GLU N . 7247 1 672 . 1 1 54 54 ALA H H 1 8.102 0.02 . 1 . . . . 54 ALA H . 7247 1 673 . 1 1 54 54 ALA HA H 1 4.091 0.02 . 1 . . . . 54 ALA HA . 7247 1 674 . 1 1 54 54 ALA HB1 H 1 1.544 0.02 . 1 . . . . 54 ALA HB . 7247 1 675 . 1 1 54 54 ALA HB2 H 1 1.544 0.02 . 1 . . . . 54 ALA HB . 7247 1 676 . 1 1 54 54 ALA HB3 H 1 1.544 0.02 . 1 . . . . 54 ALA HB . 7247 1 677 . 1 1 54 54 ALA C C 13 180.626 0.1 . 1 . . . . 54 ALA C . 7247 1 678 . 1 1 54 54 ALA CA C 13 54.881 0.1 . 1 . . . . 54 ALA CA . 7247 1 679 . 1 1 54 54 ALA CB C 13 18.568 0.1 . 1 . . . . 54 ALA CB . 7247 1 680 . 1 1 54 54 ALA N N 15 121.643 0.1 . 1 . . . . 54 ALA N . 7247 1 681 . 1 1 55 55 ALA H H 1 8.768 0.02 . 1 . . . . 55 ALA H . 7247 1 682 . 1 1 55 55 ALA HA H 1 3.896 0.02 . 1 . . . . 55 ALA HA . 7247 1 683 . 1 1 55 55 ALA HB1 H 1 1.542 0.02 . 1 . . . . 55 ALA HB . 7247 1 684 . 1 1 55 55 ALA HB2 H 1 1.542 0.02 . 1 . . . . 55 ALA HB . 7247 1 685 . 1 1 55 55 ALA HB3 H 1 1.542 0.02 . 1 . . . . 55 ALA HB . 7247 1 686 . 1 1 55 55 ALA C C 13 179.394 0.1 . 1 . . . . 55 ALA C . 7247 1 687 . 1 1 55 55 ALA CA C 13 55.445 0.1 . 1 . . . . 55 ALA CA . 7247 1 688 . 1 1 55 55 ALA CB C 13 17.74 0.1 . 1 . . . . 55 ALA CB . 7247 1 689 . 1 1 55 55 ALA N N 15 121.602 0.1 . 1 . . . . 55 ALA N . 7247 1 690 . 1 1 56 56 GLU H H 1 7.432 0.02 . 1 . . . . 56 GLU H . 7247 1 691 . 1 1 56 56 GLU HA H 1 4.075 0.02 . 1 . . . . 56 GLU HA . 7247 1 692 . 1 1 56 56 GLU HB2 H 1 2.161 0.02 . 2 . . . . 56 GLU HB2 . 7247 1 693 . 1 1 56 56 GLU HG2 H 1 2.488 0.02 . 1 . . . . 56 GLU HG2 . 7247 1 694 . 1 1 56 56 GLU HG3 H 1 2.339 0.02 . 1 . . . . 56 GLU HG3 . 7247 1 695 . 1 1 56 56 GLU C C 13 178.09 0.1 . 1 . . . . 56 GLU C . 7247 1 696 . 1 1 56 56 GLU CA C 13 58.133 0.1 . 1 . . . . 56 GLU CA . 7247 1 697 . 1 1 56 56 GLU CB C 13 29.722 0.1 . 1 . . . . 56 GLU CB . 7247 1 698 . 1 1 56 56 GLU CG C 13 35.991 0.1 . 1 . . . . 56 GLU CG . 7247 1 699 . 1 1 56 56 GLU N N 15 114.9 0.1 . 1 . . . . 56 GLU N . 7247 1 700 . 1 1 57 57 LYS H H 1 7.347 0.02 . 1 . . . . 57 LYS H . 7247 1 701 . 1 1 57 57 LYS HA H 1 4.296 0.02 . 1 . . . . 57 LYS HA . 7247 1 702 . 1 1 57 57 LYS HB2 H 1 1.982 0.02 . 1 . . . . 57 LYS HB2 . 7247 1 703 . 1 1 57 57 LYS HB3 H 1 1.784 0.02 . 1 . . . . 57 LYS HB3 . 7247 1 704 . 1 1 57 57 LYS HG2 H 1 1.518 0.02 . 1 . . . . 57 LYS HG2 . 7247 1 705 . 1 1 57 57 LYS HG3 H 1 1.577 0.02 . 1 . . . . 57 LYS HG3 . 7247 1 706 . 1 1 57 57 LYS HD2 H 1 1.662 0.02 . 2 . . . . 57 LYS HD2 . 7247 1 707 . 1 1 57 57 LYS HE2 H 1 2.984 0.02 . 2 . . . . 57 LYS HE2 . 7247 1 708 . 1 1 57 57 LYS C C 13 176.566 0.1 . 1 . . . . 57 LYS C . 7247 1 709 . 1 1 57 57 LYS CA C 13 56.105 0.1 . 1 . . . . 57 LYS CA . 7247 1 710 . 1 1 57 57 LYS CB C 13 33.711 0.1 . 1 . . . . 57 LYS CB . 7247 1 711 . 1 1 57 57 LYS CG C 13 25.281 0.1 . 1 . . . . 57 LYS CG . 7247 1 712 . 1 1 57 57 LYS CD C 13 29.066 0.1 . 1 . . . . 57 LYS CD . 7247 1 713 . 1 1 57 57 LYS CE C 13 42.191 0.1 . 1 . . . . 57 LYS CE . 7247 1 714 . 1 1 57 57 LYS N N 15 115.934 0.1 . 1 . . . . 57 LYS N . 7247 1 715 . 1 1 58 58 ALA H H 1 7.462 0.02 . 1 . . . . 58 ALA H . 7247 1 716 . 1 1 58 58 ALA HA H 1 4.285 0.02 . 1 . . . . 58 ALA HA . 7247 1 717 . 1 1 58 58 ALA HB1 H 1 1.352 0.02 . 1 . . . . 58 ALA HB . 7247 1 718 . 1 1 58 58 ALA HB2 H 1 1.352 0.02 . 1 . . . . 58 ALA HB . 7247 1 719 . 1 1 58 58 ALA HB3 H 1 1.352 0.02 . 1 . . . . 58 ALA HB . 7247 1 720 . 1 1 58 58 ALA C C 13 177.596 0.1 . 1 . . . . 58 ALA C . 7247 1 721 . 1 1 58 58 ALA CA C 13 52.97 0.1 . 1 . . . . 58 ALA CA . 7247 1 722 . 1 1 58 58 ALA CB C 13 18.201 0.1 . 1 . . . . 58 ALA CB . 7247 1 723 . 1 1 58 58 ALA N N 15 123.339 0.1 . 1 . . . . 58 ALA N . 7247 1 724 . 1 1 59 59 ARG H H 1 8.625 0.02 . 1 . . . . 59 ARG H . 7247 1 725 . 1 1 59 59 ARG HA H 1 4.342 0.02 . 1 . . . . 59 ARG HA . 7247 1 726 . 1 1 59 59 ARG HB2 H 1 2.001 0.02 . 1 . . . . 59 ARG HB2 . 7247 1 727 . 1 1 59 59 ARG HB3 H 1 1.81 0.02 . 1 . . . . 59 ARG HB3 . 7247 1 728 . 1 1 59 59 ARG HG2 H 1 1.794 0.02 . 1 . . . . 59 ARG HG2 . 7247 1 729 . 1 1 59 59 ARG HG3 H 1 1.703 0.02 . 1 . . . . 59 ARG HG3 . 7247 1 730 . 1 1 59 59 ARG HD2 H 1 3.252 0.02 . 2 . . . . 59 ARG HD2 . 7247 1 731 . 1 1 59 59 ARG C C 13 176.103 0.1 . 1 . . . . 59 ARG C . 7247 1 732 . 1 1 59 59 ARG CA C 13 56.286 0.1 . 1 . . . . 59 ARG CA . 7247 1 733 . 1 1 59 59 ARG CB C 13 31.19 0.1 . 1 . . . . 59 ARG CB . 7247 1 734 . 1 1 59 59 ARG CG C 13 27.161 0.1 . 1 . . . . 59 ARG CG . 7247 1 735 . 1 1 59 59 ARG CD C 13 43.08 0.1 . 1 . . . . 59 ARG CD . 7247 1 736 . 1 1 59 59 ARG N N 15 121.641 0.1 . 1 . . . . 59 ARG N . 7247 1 737 . 1 1 60 60 ASN H H 1 7.947 0.02 . 1 . . . . 60 ASN H . 7247 1 738 . 1 1 60 60 ASN HA H 1 5.09 0.02 . 1 . . . . 60 ASN HA . 7247 1 739 . 1 1 60 60 ASN HD21 H 1 7.278 0.02 . 1 . . . . 60 ASN HD21 . 7247 1 740 . 1 1 60 60 ASN HD22 H 1 7.901 0.02 . 1 . . . . 60 ASN HD22 . 7247 1 741 . 1 1 60 60 ASN CA C 13 50.986 0.1 . 1 . . . . 60 ASN CA . 7247 1 742 . 1 1 60 60 ASN CB C 13 39.624 0.1 . 1 . . . . 60 ASN CB . 7247 1 743 . 1 1 60 60 ASN N N 15 118.676 0.1 . 1 . . . . 60 ASN N . 7247 1 744 . 1 1 60 60 ASN ND2 N 15 114.031 0.1 . 1 . . . . 60 ASN ND2 . 7247 1 745 . 1 1 61 61 PRO HA H 1 4.231 0.02 . 1 . . . . 61 PRO HA . 7247 1 746 . 1 1 61 61 PRO HB2 H 1 2.406 0.02 . 1 . . . . 61 PRO HB2 . 7247 1 747 . 1 1 61 61 PRO HB3 H 1 2.049 0.02 . 1 . . . . 61 PRO HB3 . 7247 1 748 . 1 1 61 61 PRO HG2 H 1 2.201 0.02 . 2 . . . . 61 PRO HG2 . 7247 1 749 . 1 1 61 61 PRO HD2 H 1 4.064 0.02 . 1 . . . . 61 PRO HD2 . 7247 1 750 . 1 1 61 61 PRO HD3 H 1 3.96 0.02 . 1 . . . . 61 PRO HD3 . 7247 1 751 . 1 1 61 61 PRO C C 13 178.705 0.1 . 1 . . . . 61 PRO C . 7247 1 752 . 1 1 61 61 PRO CA C 13 65.269 0.1 . 1 . . . . 61 PRO CA . 7247 1 753 . 1 1 61 61 PRO CB C 13 32.227 0.1 . 1 . . . . 61 PRO CB . 7247 1 754 . 1 1 61 61 PRO CG C 13 27.581 0.1 . 1 . . . . 61 PRO CG . 7247 1 755 . 1 1 61 61 PRO CD C 13 51.349 0.1 . 1 . . . . 61 PRO CD . 7247 1 756 . 1 1 62 62 GLU H H 1 8.335 0.02 . 1 . . . . 62 GLU H . 7247 1 757 . 1 1 62 62 GLU HA H 1 4.118 0.02 . 1 . . . . 62 GLU HA . 7247 1 758 . 1 1 62 62 GLU HB2 H 1 2.107 0.02 . 1 . . . . 62 GLU HB2 . 7247 1 759 . 1 1 62 62 GLU HB3 H 1 2.069 0.02 . 1 . . . . 62 GLU HB3 . 7247 1 760 . 1 1 62 62 GLU HG2 H 1 2.343 0.02 . 2 . . . . 62 GLU HG2 . 7247 1 761 . 1 1 62 62 GLU C C 13 179.259 0.1 . 1 . . . . 62 GLU C . 7247 1 762 . 1 1 62 62 GLU CA C 13 59.692 0.1 . 1 . . . . 62 GLU CA . 7247 1 763 . 1 1 62 62 GLU CB C 13 28.833 0.1 . 1 . . . . 62 GLU CB . 7247 1 764 . 1 1 62 62 GLU CG C 13 36.636 0.1 . 1 . . . . 62 GLU CG . 7247 1 765 . 1 1 62 62 GLU N N 15 118.529 0.1 . 1 . . . . 62 GLU N . 7247 1 766 . 1 1 63 63 LYS H H 1 7.796 0.02 . 1 . . . . 63 LYS H . 7247 1 767 . 1 1 63 63 LYS HA H 1 4.152 0.02 . 1 . . . . 63 LYS HA . 7247 1 768 . 1 1 63 63 LYS HB2 H 1 1.954 0.02 . 2 . . . . 63 LYS HB2 . 7247 1 769 . 1 1 63 63 LYS HG2 H 1 1.539 0.02 . 2 . . . . 63 LYS HG2 . 7247 1 770 . 1 1 63 63 LYS HD2 H 1 1.777 0.02 . 2 . . . . 63 LYS HD2 . 7247 1 771 . 1 1 63 63 LYS HE2 H 1 2.955 0.02 . 2 . . . . 63 LYS HE2 . 7247 1 772 . 1 1 63 63 LYS C C 13 178.475 0.1 . 1 . . . . 63 LYS C . 7247 1 773 . 1 1 63 63 LYS CA C 13 58.02 0.1 . 1 . . . . 63 LYS CA . 7247 1 774 . 1 1 63 63 LYS CB C 13 32.31 0.1 . 1 . . . . 63 LYS CB . 7247 1 775 . 1 1 63 63 LYS CG C 13 25.352 0.1 . 1 . . . . 63 LYS CG . 7247 1 776 . 1 1 63 63 LYS CD C 13 28.859 0.1 . 1 . . . . 63 LYS CD . 7247 1 777 . 1 1 63 63 LYS CE C 13 42.106 0.1 . 1 . . . . 63 LYS CE . 7247 1 778 . 1 1 63 63 LYS N N 15 119.422 0.1 . 1 . . . . 63 LYS N . 7247 1 779 . 1 1 64 64 ARG H H 1 8.163 0.02 . 1 . . . . 64 ARG H . 7247 1 780 . 1 1 64 64 ARG HA H 1 3.763 0.02 . 1 . . . . 64 ARG HA . 7247 1 781 . 1 1 64 64 ARG HB2 H 1 1.943 0.02 . 1 . . . . 64 ARG HB2 . 7247 1 782 . 1 1 64 64 ARG HB3 H 1 1.801 0.02 . 1 . . . . 64 ARG HB3 . 7247 1 783 . 1 1 64 64 ARG HG2 H 1 1.788 0.02 . 1 . . . . 64 ARG HG2 . 7247 1 784 . 1 1 64 64 ARG HG3 H 1 1.636 0.02 . 1 . . . . 64 ARG HG3 . 7247 1 785 . 1 1 64 64 ARG HD2 H 1 3.26 0.02 . 2 . . . . 64 ARG HD2 . 7247 1 786 . 1 1 64 64 ARG C C 13 177.241 0.1 . 1 . . . . 64 ARG C . 7247 1 787 . 1 1 64 64 ARG CA C 13 59.427 0.1 . 1 . . . . 64 ARG CA . 7247 1 788 . 1 1 64 64 ARG CB C 13 29.721 0.1 . 1 . . . . 64 ARG CB . 7247 1 789 . 1 1 64 64 ARG CG C 13 27.533 0.1 . 1 . . . . 64 ARG CG . 7247 1 790 . 1 1 64 64 ARG CD C 13 43.038 0.1 . 1 . . . . 64 ARG CD . 7247 1 791 . 1 1 64 64 ARG N N 15 118.676 0.1 . 1 . . . . 64 ARG N . 7247 1 792 . 1 1 65 65 GLN H H 1 7.893 0.02 . 1 . . . . 65 GLN H . 7247 1 793 . 1 1 65 65 GLN HA H 1 4.147 0.02 . 1 . . . . 65 GLN HA . 7247 1 794 . 1 1 65 65 GLN HB2 H 1 2.189 0.02 . 2 . . . . 65 GLN HB2 . 7247 1 795 . 1 1 65 65 GLN HG2 H 1 2.552 0.02 . 1 . . . . 65 GLN HG2 . 7247 1 796 . 1 1 65 65 GLN HG3 H 1 2.431 0.02 . 1 . . . . 65 GLN HG3 . 7247 1 797 . 1 1 65 65 GLN HE21 H 1 7.213 0.02 . 1 . . . . 65 GLN HE21 . 7247 1 798 . 1 1 65 65 GLN HE22 H 1 6.776 0.02 . 1 . . . . 65 GLN HE22 . 7247 1 799 . 1 1 65 65 GLN C C 13 178.499 0.1 . 1 . . . . 65 GLN C . 7247 1 800 . 1 1 65 65 GLN CA C 13 59.109 0.1 . 1 . . . . 65 GLN CA . 7247 1 801 . 1 1 65 65 GLN CB C 13 28.391 0.1 . 1 . . . . 65 GLN CB . 7247 1 802 . 1 1 65 65 GLN CG C 13 34.238 0.1 . 1 . . . . 65 GLN CG . 7247 1 803 . 1 1 65 65 GLN N N 15 116.416 0.1 . 1 . . . . 65 GLN N . 7247 1 804 . 1 1 65 65 GLN NE2 N 15 110.979 0.1 . 1 . . . . 65 GLN NE2 . 7247 1 805 . 1 1 66 66 VAL H H 1 7.306 0.02 . 1 . . . . 66 VAL H . 7247 1 806 . 1 1 66 66 VAL HA H 1 3.673 0.02 . 1 . . . . 66 VAL HA . 7247 1 807 . 1 1 66 66 VAL HB H 1 2.232 0.02 . 1 . . . . 66 VAL HB . 7247 1 808 . 1 1 66 66 VAL HG11 H 1 0.965 0.02 . 1 . . . . 66 VAL HG1 . 7247 1 809 . 1 1 66 66 VAL HG12 H 1 0.965 0.02 . 1 . . . . 66 VAL HG1 . 7247 1 810 . 1 1 66 66 VAL HG13 H 1 0.965 0.02 . 1 . . . . 66 VAL HG1 . 7247 1 811 . 1 1 66 66 VAL HG21 H 1 1.147 0.02 . 1 . . . . 66 VAL HG2 . 7247 1 812 . 1 1 66 66 VAL HG22 H 1 1.147 0.02 . 1 . . . . 66 VAL HG2 . 7247 1 813 . 1 1 66 66 VAL HG23 H 1 1.147 0.02 . 1 . . . . 66 VAL HG2 . 7247 1 814 . 1 1 66 66 VAL C C 13 177.781 0.1 . 1 . . . . 66 VAL C . 7247 1 815 . 1 1 66 66 VAL CA C 13 66.174 0.1 . 1 . . . . 66 VAL CA . 7247 1 816 . 1 1 66 66 VAL CB C 13 32.162 0.1 . 1 . . . . 66 VAL CB . 7247 1 817 . 1 1 66 66 VAL CG1 C 13 20.989 0.1 . 1 . . . . 66 VAL CG1 . 7247 1 818 . 1 1 66 66 VAL CG2 C 13 22.876 0.1 . 1 . . . . 66 VAL CG2 . 7247 1 819 . 1 1 66 66 VAL N N 15 119.653 0.1 . 1 . . . . 66 VAL N . 7247 1 820 . 1 1 67 67 ILE H H 1 7.771 0.02 . 1 . . . . 67 ILE H . 7247 1 821 . 1 1 67 67 ILE HA H 1 3.539 0.02 . 1 . . . . 67 ILE HA . 7247 1 822 . 1 1 67 67 ILE HB H 1 1.915 0.02 . 1 . . . . 67 ILE HB . 7247 1 823 . 1 1 67 67 ILE HG12 H 1 1.75 0.02 . 1 . . . . 67 ILE HG12 . 7247 1 824 . 1 1 67 67 ILE HG13 H 1 1.137 0.02 . 1 . . . . 67 ILE HG13 . 7247 1 825 . 1 1 67 67 ILE HG21 H 1 1.122 0.02 . 1 . . . . 67 ILE HG2 . 7247 1 826 . 1 1 67 67 ILE HG22 H 1 1.122 0.02 . 1 . . . . 67 ILE HG2 . 7247 1 827 . 1 1 67 67 ILE HG23 H 1 1.122 0.02 . 1 . . . . 67 ILE HG2 . 7247 1 828 . 1 1 67 67 ILE HD11 H 1 0.762 0.02 . 1 . . . . 67 ILE HD1 . 7247 1 829 . 1 1 67 67 ILE HD12 H 1 0.762 0.02 . 1 . . . . 67 ILE HD1 . 7247 1 830 . 1 1 67 67 ILE HD13 H 1 0.762 0.02 . 1 . . . . 67 ILE HD1 . 7247 1 831 . 1 1 67 67 ILE C C 13 177.053 0.1 . 1 . . . . 67 ILE C . 7247 1 832 . 1 1 67 67 ILE CA C 13 65.199 0.1 . 1 . . . . 67 ILE CA . 7247 1 833 . 1 1 67 67 ILE CB C 13 37.984 0.1 . 1 . . . . 67 ILE CB . 7247 1 834 . 1 1 67 67 ILE CG1 C 13 29.617 0.1 . 1 . . . . 67 ILE CG1 . 7247 1 835 . 1 1 67 67 ILE CG2 C 13 18.87 0.1 . 1 . . . . 67 ILE CG2 . 7247 1 836 . 1 1 67 67 ILE CD1 C 13 13.355 0.1 . 1 . . . . 67 ILE CD1 . 7247 1 837 . 1 1 67 67 ILE N N 15 119.838 0.1 . 1 . . . . 67 ILE N . 7247 1 838 . 1 1 68 68 ASP H H 1 8.69 0.02 . 1 . . . . 68 ASP H . 7247 1 839 . 1 1 68 68 ASP HA H 1 4.342 0.02 . 1 . . . . 68 ASP HA . 7247 1 840 . 1 1 68 68 ASP HB2 H 1 2.748 0.02 . 1 . . . . 68 ASP HB2 . 7247 1 841 . 1 1 68 68 ASP HB3 H 1 2.574 0.02 . 1 . . . . 68 ASP HB3 . 7247 1 842 . 1 1 68 68 ASP C C 13 178.936 0.1 . 1 . . . . 68 ASP C . 7247 1 843 . 1 1 68 68 ASP CA C 13 57.449 0.1 . 1 . . . . 68 ASP CA . 7247 1 844 . 1 1 68 68 ASP CB C 13 40.463 0.1 . 1 . . . . 68 ASP CB . 7247 1 845 . 1 1 68 68 ASP N N 15 119.242 0.1 . 1 . . . . 68 ASP N . 7247 1 846 . 1 1 69 69 LYS H H 1 7.542 0.02 . 1 . . . . 69 LYS H . 7247 1 847 . 1 1 69 69 LYS HA H 1 3.966 0.02 . 1 . . . . 69 LYS HA . 7247 1 848 . 1 1 69 69 LYS HB2 H 1 1.917 0.02 . 2 . . . . 69 LYS HB2 . 7247 1 849 . 1 1 69 69 LYS HG2 H 1 1.518 0.02 . 2 . . . . 69 LYS HG2 . 7247 1 850 . 1 1 69 69 LYS HD2 H 1 1.648 0.02 . 2 . . . . 69 LYS HD2 . 7247 1 851 . 1 1 69 69 LYS HE2 H 1 2.971 0.02 . 2 . . . . 69 LYS HE2 . 7247 1 852 . 1 1 69 69 LYS C C 13 178.657 0.1 . 1 . . . . 69 LYS C . 7247 1 853 . 1 1 69 69 LYS CA C 13 58.913 0.1 . 1 . . . . 69 LYS CA . 7247 1 854 . 1 1 69 69 LYS CB C 13 31.996 0.1 . 1 . . . . 69 LYS CB . 7247 1 855 . 1 1 69 69 LYS CG C 13 25.013 0.1 . 1 . . . . 69 LYS CG . 7247 1 856 . 1 1 69 69 LYS CD C 13 28.87 0.1 . 1 . . . . 69 LYS CD . 7247 1 857 . 1 1 69 69 LYS CE C 13 42.11 0.1 . 1 . . . . 69 LYS CE . 7247 1 858 . 1 1 69 69 LYS N N 15 119.336 0.1 . 1 . . . . 69 LYS N . 7247 1 859 . 1 1 70 70 ILE H H 1 7.697 0.02 . 1 . . . . 70 ILE H . 7247 1 860 . 1 1 70 70 ILE HA H 1 2.913 0.02 . 1 . . . . 70 ILE HA . 7247 1 861 . 1 1 70 70 ILE HB H 1 1.191 0.02 . 1 . . . . 70 ILE HB . 7247 1 862 . 1 1 70 70 ILE HG12 H 1 1.647 0.02 . 1 . . . . 70 ILE HG12 . 7247 1 863 . 1 1 70 70 ILE HG13 H 1 0.337 0.02 . 1 . . . . 70 ILE HG13 . 7247 1 864 . 1 1 70 70 ILE HG21 H 1 -0.595 0.02 . 1 . . . . 70 ILE HG2 . 7247 1 865 . 1 1 70 70 ILE HG22 H 1 -0.595 0.02 . 1 . . . . 70 ILE HG2 . 7247 1 866 . 1 1 70 70 ILE HG23 H 1 -0.595 0.02 . 1 . . . . 70 ILE HG2 . 7247 1 867 . 1 1 70 70 ILE HD11 H 1 0.769 0.02 . 1 . . . . 70 ILE HD1 . 7247 1 868 . 1 1 70 70 ILE HD12 H 1 0.769 0.02 . 1 . . . . 70 ILE HD1 . 7247 1 869 . 1 1 70 70 ILE HD13 H 1 0.769 0.02 . 1 . . . . 70 ILE HD1 . 7247 1 870 . 1 1 70 70 ILE C C 13 177.906 0.1 . 1 . . . . 70 ILE C . 7247 1 871 . 1 1 70 70 ILE CA C 13 66.133 0.1 . 1 . . . . 70 ILE CA . 7247 1 872 . 1 1 70 70 ILE CB C 13 37.236 0.1 . 1 . . . . 70 ILE CB . 7247 1 873 . 1 1 70 70 ILE CG1 C 13 29.551 0.1 . 1 . . . . 70 ILE CG1 . 7247 1 874 . 1 1 70 70 ILE CG2 C 13 15.871 0.1 . 1 . . . . 70 ILE CG2 . 7247 1 875 . 1 1 70 70 ILE CD1 C 13 14.323 0.1 . 1 . . . . 70 ILE CD1 . 7247 1 876 . 1 1 70 70 ILE N N 15 121.807 0.1 . 1 . . . . 70 ILE N . 7247 1 877 . 1 1 71 71 LEU H H 1 8.478 0.02 . 1 . . . . 71 LEU H . 7247 1 878 . 1 1 71 71 LEU HA H 1 3.53 0.02 . 1 . . . . 71 LEU HA . 7247 1 879 . 1 1 71 71 LEU HB2 H 1 1.907 0.02 . 1 . . . . 71 LEU HB2 . 7247 1 880 . 1 1 71 71 LEU HB3 H 1 1.583 0.02 . 1 . . . . 71 LEU HB3 . 7247 1 881 . 1 1 71 71 LEU HG H 1 1.516 0.02 . 1 . . . . 71 LEU HG . 7247 1 882 . 1 1 71 71 LEU HD11 H 1 0.977 0.02 . 1 . . . . 71 LEU HD1 . 7247 1 883 . 1 1 71 71 LEU HD12 H 1 0.977 0.02 . 1 . . . . 71 LEU HD1 . 7247 1 884 . 1 1 71 71 LEU HD13 H 1 0.977 0.02 . 1 . . . . 71 LEU HD1 . 7247 1 885 . 1 1 71 71 LEU HD21 H 1 0.927 0.02 . 1 . . . . 71 LEU HD2 . 7247 1 886 . 1 1 71 71 LEU HD22 H 1 0.927 0.02 . 1 . . . . 71 LEU HD2 . 7247 1 887 . 1 1 71 71 LEU HD23 H 1 0.927 0.02 . 1 . . . . 71 LEU HD2 . 7247 1 888 . 1 1 71 71 LEU C C 13 178.373 0.1 . 1 . . . . 71 LEU C . 7247 1 889 . 1 1 71 71 LEU CA C 13 58.992 0.1 . 1 . . . . 71 LEU CA . 7247 1 890 . 1 1 71 71 LEU CB C 13 41.76 0.1 . 1 . . . . 71 LEU CB . 7247 1 891 . 1 1 71 71 LEU CG C 13 27.574 0.1 . 1 . . . . 71 LEU CG . 7247 1 892 . 1 1 71 71 LEU CD1 C 13 25.216 0.1 . 1 . . . . 71 LEU CD1 . 7247 1 893 . 1 1 71 71 LEU CD2 C 13 26.404 0.1 . 1 . . . . 71 LEU CD2 . 7247 1 894 . 1 1 71 71 LEU N N 15 121.197 0.1 . 1 . . . . 71 LEU N . 7247 1 895 . 1 1 72 72 GLU H H 1 7.525 0.02 . 1 . . . . 72 GLU H . 7247 1 896 . 1 1 72 72 GLU HA H 1 3.944 0.02 . 1 . . . . 72 GLU HA . 7247 1 897 . 1 1 72 72 GLU HB2 H 1 2.061 0.02 . 2 . . . . 72 GLU HB2 . 7247 1 898 . 1 1 72 72 GLU HG2 H 1 2.384 0.02 . 2 . . . . 72 GLU HG2 . 7247 1 899 . 1 1 72 72 GLU C C 13 179.699 0.1 . 1 . . . . 72 GLU C . 7247 1 900 . 1 1 72 72 GLU CA C 13 58.651 0.1 . 1 . . . . 72 GLU CA . 7247 1 901 . 1 1 72 72 GLU CB C 13 28.92 0.1 . 1 . . . . 72 GLU CB . 7247 1 902 . 1 1 72 72 GLU CG C 13 35.364 0.1 . 1 . . . . 72 GLU CG . 7247 1 903 . 1 1 72 72 GLU N N 15 116.137 0.1 . 1 . . . . 72 GLU N . 7247 1 904 . 1 1 73 73 ASP H H 1 7.575 0.02 . 1 . . . . 73 ASP H . 7247 1 905 . 1 1 73 73 ASP HA H 1 4.07 0.02 . 1 . . . . 73 ASP HA . 7247 1 906 . 1 1 73 73 ASP HB2 H 1 3.16 0.02 . 1 . . . . 73 ASP HB2 . 7247 1 907 . 1 1 73 73 ASP HB3 H 1 2.061 0.02 . 1 . . . . 73 ASP HB3 . 7247 1 908 . 1 1 73 73 ASP C C 13 177.44 0.1 . 1 . . . . 73 ASP C . 7247 1 909 . 1 1 73 73 ASP CA C 13 56.878 0.1 . 1 . . . . 73 ASP CA . 7247 1 910 . 1 1 73 73 ASP CB C 13 40.897 0.1 . 1 . . . . 73 ASP CB . 7247 1 911 . 1 1 73 73 ASP N N 15 120.531 0.1 . 1 . . . . 73 ASP N . 7247 1 912 . 1 1 74 74 GLU H H 1 8.243 0.02 . 1 . . . . 74 GLU H . 7247 1 913 . 1 1 74 74 GLU HA H 1 4.427 0.02 . 1 . . . . 74 GLU HA . 7247 1 914 . 1 1 74 74 GLU HB2 H 1 2.242 0.02 . 1 . . . . 74 GLU HB2 . 7247 1 915 . 1 1 74 74 GLU HB3 H 1 1.752 0.02 . 1 . . . . 74 GLU HB3 . 7247 1 916 . 1 1 74 74 GLU HG2 H 1 2.691 0.02 . 1 . . . . 74 GLU HG2 . 7247 1 917 . 1 1 74 74 GLU HG3 H 1 2.105 0.02 . 1 . . . . 74 GLU HG3 . 7247 1 918 . 1 1 74 74 GLU C C 13 179.378 0.1 . 1 . . . . 74 GLU C . 7247 1 919 . 1 1 74 74 GLU CA C 13 57.663 0.1 . 1 . . . . 74 GLU CA . 7247 1 920 . 1 1 74 74 GLU CB C 13 28.001 0.1 . 1 . . . . 74 GLU CB . 7247 1 921 . 1 1 74 74 GLU CG C 13 33.134 0.1 . 1 . . . . 74 GLU CG . 7247 1 922 . 1 1 74 74 GLU N N 15 117.422 0.1 . 1 . . . . 74 GLU N . 7247 1 923 . 1 1 75 75 GLU H H 1 7.96 0.02 . 1 . . . . 75 GLU H . 7247 1 924 . 1 1 75 75 GLU HA H 1 3.851 0.02 . 1 . . . . 75 GLU HA . 7247 1 925 . 1 1 75 75 GLU HB2 H 1 2.12 0.02 . 1 . . . . 75 GLU HB2 . 7247 1 926 . 1 1 75 75 GLU HB3 H 1 1.916 0.02 . 1 . . . . 75 GLU HB3 . 7247 1 927 . 1 1 75 75 GLU HG2 H 1 2.498 0.02 . 1 . . . . 75 GLU HG2 . 7247 1 928 . 1 1 75 75 GLU HG3 H 1 2.103 0.02 . 1 . . . . 75 GLU HG3 . 7247 1 929 . 1 1 75 75 GLU C C 13 180.19 0.1 . 1 . . . . 75 GLU C . 7247 1 930 . 1 1 75 75 GLU CA C 13 59.542 0.1 . 1 . . . . 75 GLU CA . 7247 1 931 . 1 1 75 75 GLU CB C 13 29.141 0.1 . 1 . . . . 75 GLU CB . 7247 1 932 . 1 1 75 75 GLU CG C 13 36.48 0.1 . 1 . . . . 75 GLU CG . 7247 1 933 . 1 1 75 75 GLU N N 15 116.298 0.1 . 1 . . . . 75 GLU N . 7247 1 934 . 1 1 76 76 LYS H H 1 7.544 0.02 . 1 . . . . 76 LYS H . 7247 1 935 . 1 1 76 76 LYS HA H 1 3.682 0.02 . 1 . . . . 76 LYS HA . 7247 1 936 . 1 1 76 76 LYS HB2 H 1 1.512 0.02 . 1 . . . . 76 LYS HB2 . 7247 1 937 . 1 1 76 76 LYS HB3 H 1 1.19 0.02 . 1 . . . . 76 LYS HB3 . 7247 1 938 . 1 1 76 76 LYS HG2 H 1 1.141 0.02 . 1 . . . . 76 LYS HG2 . 7247 1 939 . 1 1 76 76 LYS HG3 H 1 0.366 0.02 . 1 . . . . 76 LYS HG3 . 7247 1 940 . 1 1 76 76 LYS HD2 H 1 1.558 0.02 . 1 . . . . 76 LYS HD2 . 7247 1 941 . 1 1 76 76 LYS HD3 H 1 1.519 0.02 . 1 . . . . 76 LYS HD3 . 7247 1 942 . 1 1 76 76 LYS HE2 H 1 2.7 0.02 . 1 . . . . 76 LYS HE2 . 7247 1 943 . 1 1 76 76 LYS HE3 H 1 2.337 0.02 . 1 . . . . 76 LYS HE3 . 7247 1 944 . 1 1 76 76 LYS C C 13 177.106 0.1 . 1 . . . . 76 LYS C . 7247 1 945 . 1 1 76 76 LYS CA C 13 58.94 0.1 . 1 . . . . 76 LYS CA . 7247 1 946 . 1 1 76 76 LYS CB C 13 30.694 0.1 . 1 . . . . 76 LYS CB . 7247 1 947 . 1 1 76 76 LYS CG C 13 23.92 0.1 . 1 . . . . 76 LYS CG . 7247 1 948 . 1 1 76 76 LYS CD C 13 29.086 0.1 . 1 . . . . 76 LYS CD . 7247 1 949 . 1 1 76 76 LYS CE C 13 41.79 0.1 . 1 . . . . 76 LYS CE . 7247 1 950 . 1 1 76 76 LYS N N 15 121.582 0.1 . 1 . . . . 76 LYS N . 7247 1 951 . 1 1 77 77 HIS H H 1 8.219 0.02 . 1 . . . . 77 HIS H . 7247 1 952 . 1 1 77 77 HIS HA H 1 4.091 0.02 . 1 . . . . 77 HIS HA . 7247 1 953 . 1 1 77 77 HIS HB2 H 1 3.666 0.02 . 1 . . . . 77 HIS HB2 . 7247 1 954 . 1 1 77 77 HIS HB3 H 1 3.132 0.02 . 1 . . . . 77 HIS HB3 . 7247 1 955 . 1 1 77 77 HIS HD2 H 1 6.353 0.02 . 1 . . . . 77 HIS HD2 . 7247 1 956 . 1 1 77 77 HIS HE1 H 1 7.635 0.02 . 1 . . . . 77 HIS HE1 . 7247 1 957 . 1 1 77 77 HIS C C 13 177.566 0.1 . 1 . . . . 77 HIS C . 7247 1 958 . 1 1 77 77 HIS CA C 13 58.132 0.1 . 1 . . . . 77 HIS CA . 7247 1 959 . 1 1 77 77 HIS CB C 13 29.887 0.1 . 1 . . . . 77 HIS CB . 7247 1 960 . 1 1 77 77 HIS CD2 C 13 117.605 0.1 . 1 . . . . 77 HIS CD2 . 7247 1 961 . 1 1 77 77 HIS CE1 C 13 137.525 0.1 . 1 . . . . 77 HIS CE1 . 7247 1 962 . 1 1 77 77 HIS N N 15 118.155 0.1 . 1 . . . . 77 HIS N . 7247 1 963 . 1 1 78 78 ILE H H 1 7.708 0.02 . 1 . . . . 78 ILE H . 7247 1 964 . 1 1 78 78 ILE HA H 1 3.659 0.02 . 1 . . . . 78 ILE HA . 7247 1 965 . 1 1 78 78 ILE HB H 1 2.022 0.02 . 1 . . . . 78 ILE HB . 7247 1 966 . 1 1 78 78 ILE HG12 H 1 2.002 0.02 . 1 . . . . 78 ILE HG12 . 7247 1 967 . 1 1 78 78 ILE HG13 H 1 0.965 0.02 . 1 . . . . 78 ILE HG13 . 7247 1 968 . 1 1 78 78 ILE HG21 H 1 0.948 0.02 . 1 . . . . 78 ILE HG2 . 7247 1 969 . 1 1 78 78 ILE HG22 H 1 0.948 0.02 . 1 . . . . 78 ILE HG2 . 7247 1 970 . 1 1 78 78 ILE HG23 H 1 0.948 0.02 . 1 . . . . 78 ILE HG2 . 7247 1 971 . 1 1 78 78 ILE HD11 H 1 0.899 0.02 . 1 . . . . 78 ILE HD1 . 7247 1 972 . 1 1 78 78 ILE HD12 H 1 0.899 0.02 . 1 . . . . 78 ILE HD1 . 7247 1 973 . 1 1 78 78 ILE HD13 H 1 0.899 0.02 . 1 . . . . 78 ILE HD1 . 7247 1 974 . 1 1 78 78 ILE C C 13 177.715 0.1 . 1 . . . . 78 ILE C . 7247 1 975 . 1 1 78 78 ILE CA C 13 66.479 0.1 . 1 . . . . 78 ILE CA . 7247 1 976 . 1 1 78 78 ILE CB C 13 37.853 0.1 . 1 . . . . 78 ILE CB . 7247 1 977 . 1 1 78 78 ILE CG1 C 13 30.9 0.1 . 1 . . . . 78 ILE CG1 . 7247 1 978 . 1 1 78 78 ILE CG2 C 13 17.421 0.1 . 1 . . . . 78 ILE CG2 . 7247 1 979 . 1 1 78 78 ILE CD1 C 13 14.032 0.1 . 1 . . . . 78 ILE CD1 . 7247 1 980 . 1 1 78 78 ILE N N 15 116.797 0.1 . 1 . . . . 78 ILE N . 7247 1 981 . 1 1 79 79 GLU H H 1 7.614 0.02 . 1 . . . . 79 GLU H . 7247 1 982 . 1 1 79 79 GLU HA H 1 4.057 0.02 . 1 . . . . 79 GLU HA . 7247 1 983 . 1 1 79 79 GLU HB2 H 1 2.203 0.02 . 2 . . . . 79 GLU HB2 . 7247 1 984 . 1 1 79 79 GLU HG2 H 1 2.383 0.02 . 2 . . . . 79 GLU HG2 . 7247 1 985 . 1 1 79 79 GLU C C 13 180.738 0.1 . 1 . . . . 79 GLU C . 7247 1 986 . 1 1 79 79 GLU CA C 13 59.634 0.1 . 1 . . . . 79 GLU CA . 7247 1 987 . 1 1 79 79 GLU CB C 13 29.003 0.1 . 1 . . . . 79 GLU CB . 7247 1 988 . 1 1 79 79 GLU CG C 13 35.748 0.1 . 1 . . . . 79 GLU CG . 7247 1 989 . 1 1 79 79 GLU N N 15 120.095 0.1 . 1 . . . . 79 GLU N . 7247 1 990 . 1 1 80 80 TRP H H 1 9.406 0.02 . 1 . . . . 80 TRP H . 7247 1 991 . 1 1 80 80 TRP HA H 1 4.764 0.02 . 1 . . . . 80 TRP HA . 7247 1 992 . 1 1 80 80 TRP HB2 H 1 3.721 0.02 . 1 . . . . 80 TRP HB2 . 7247 1 993 . 1 1 80 80 TRP HB3 H 1 3.314 0.02 . 1 . . . . 80 TRP HB3 . 7247 1 994 . 1 1 80 80 TRP HD1 H 1 7.208 0.02 . 1 . . . . 80 TRP HD1 . 7247 1 995 . 1 1 80 80 TRP HE1 H 1 10.217 0.02 . 1 . . . . 80 TRP HE1 . 7247 1 996 . 1 1 80 80 TRP HE3 H 1 7.396 0.02 . 1 . . . . 80 TRP HE3 . 7247 1 997 . 1 1 80 80 TRP HZ2 H 1 7.545 0.02 . 1 . . . . 80 TRP HZ2 . 7247 1 998 . 1 1 80 80 TRP HZ3 H 1 6.905 0.02 . 1 . . . . 80 TRP HZ3 . 7247 1 999 . 1 1 80 80 TRP HH2 H 1 7.336 0.02 . 1 . . . . 80 TRP HH2 . 7247 1 1000 . 1 1 80 80 TRP C C 13 180.112 0.1 . 1 . . . . 80 TRP C . 7247 1 1001 . 1 1 80 80 TRP CA C 13 57.957 0.1 . 1 . . . . 80 TRP CA . 7247 1 1002 . 1 1 80 80 TRP CB C 13 29.365 0.1 . 1 . . . . 80 TRP CB . 7247 1 1003 . 1 1 80 80 TRP CD1 C 13 124.517 0.1 . 1 . . . . 80 TRP CD1 . 7247 1 1004 . 1 1 80 80 TRP CE3 C 13 119.821 0.1 . 1 . . . . 80 TRP CE3 . 7247 1 1005 . 1 1 80 80 TRP CZ2 C 13 114.803 0.1 . 1 . . . . 80 TRP CZ2 . 7247 1 1006 . 1 1 80 80 TRP CZ3 C 13 120.87 0.1 . 1 . . . . 80 TRP CZ3 . 7247 1 1007 . 1 1 80 80 TRP CH2 C 13 124.643 0.1 . 1 . . . . 80 TRP CH2 . 7247 1 1008 . 1 1 80 80 TRP N N 15 121.65 0.1 . 1 . . . . 80 TRP N . 7247 1 1009 . 1 1 80 80 TRP NE1 N 15 128.095 0.1 . 1 . . . . 80 TRP NE1 . 7247 1 1010 . 1 1 81 81 LEU H H 1 8.72 0.02 . 1 . . . . 81 LEU H . 7247 1 1011 . 1 1 81 81 LEU HA H 1 4.124 0.02 . 1 . . . . 81 LEU HA . 7247 1 1012 . 1 1 81 81 LEU HB2 H 1 2.204 0.02 . 1 . . . . 81 LEU HB2 . 7247 1 1013 . 1 1 81 81 LEU HB3 H 1 1.452 0.02 . 1 . . . . 81 LEU HB3 . 7247 1 1014 . 1 1 81 81 LEU HG H 1 2.198 0.02 . 1 . . . . 81 LEU HG . 7247 1 1015 . 1 1 81 81 LEU HD11 H 1 1.137 0.02 . 1 . . . . 81 LEU HD1 . 7247 1 1016 . 1 1 81 81 LEU HD12 H 1 1.137 0.02 . 1 . . . . 81 LEU HD1 . 7247 1 1017 . 1 1 81 81 LEU HD13 H 1 1.137 0.02 . 1 . . . . 81 LEU HD1 . 7247 1 1018 . 1 1 81 81 LEU HD21 H 1 1.144 0.02 . 1 . . . . 81 LEU HD2 . 7247 1 1019 . 1 1 81 81 LEU HD22 H 1 1.144 0.02 . 1 . . . . 81 LEU HD2 . 7247 1 1020 . 1 1 81 81 LEU HD23 H 1 1.144 0.02 . 1 . . . . 81 LEU HD2 . 7247 1 1021 . 1 1 81 81 LEU C C 13 179.506 0.1 . 1 . . . . 81 LEU C . 7247 1 1022 . 1 1 81 81 LEU CA C 13 57.958 0.1 . 1 . . . . 81 LEU CA . 7247 1 1023 . 1 1 81 81 LEU CB C 13 42.573 0.1 . 1 . . . . 81 LEU CB . 7247 1 1024 . 1 1 81 81 LEU CG C 13 27.45 0.1 . 1 . . . . 81 LEU CG . 7247 1 1025 . 1 1 81 81 LEU CD1 C 13 26.81 0.1 . 1 . . . . 81 LEU CD1 . 7247 1 1026 . 1 1 81 81 LEU CD2 C 13 22.73 0.1 . 1 . . . . 81 LEU CD2 . 7247 1 1027 . 1 1 81 81 LEU N N 15 121.272 0.1 . 1 . . . . 81 LEU N . 7247 1 1028 . 1 1 82 82 LYS H H 1 8.486 0.02 . 1 . . . . 82 LYS H . 7247 1 1029 . 1 1 82 82 LYS HA H 1 4.015 0.02 . 1 . . . . 82 LYS HA . 7247 1 1030 . 1 1 82 82 LYS HB2 H 1 1.99 0.02 . 2 . . . . 82 LYS HB2 . 7247 1 1031 . 1 1 82 82 LYS HG2 H 1 1.469 0.02 . 2 . . . . 82 LYS HG2 . 7247 1 1032 . 1 1 82 82 LYS HD2 H 1 1.739 0.02 . 2 . . . . 82 LYS HD2 . 7247 1 1033 . 1 1 82 82 LYS HE2 H 1 2.894 0.02 . 2 . . . . 82 LYS HE2 . 7247 1 1034 . 1 1 82 82 LYS C C 13 179.905 0.1 . 1 . . . . 82 LYS C . 7247 1 1035 . 1 1 82 82 LYS CA C 13 59.924 0.1 . 1 . . . . 82 LYS CA . 7247 1 1036 . 1 1 82 82 LYS CB C 13 32.229 0.1 . 1 . . . . 82 LYS CB . 7247 1 1037 . 1 1 82 82 LYS CG C 13 25.356 0.1 . 1 . . . . 82 LYS CG . 7247 1 1038 . 1 1 82 82 LYS CD C 13 29.615 0.1 . 1 . . . . 82 LYS CD . 7247 1 1039 . 1 1 82 82 LYS CE C 13 41.757 0.1 . 1 . . . . 82 LYS CE . 7247 1 1040 . 1 1 82 82 LYS N N 15 120.398 0.1 . 1 . . . . 82 LYS N . 7247 1 1041 . 1 1 83 83 ALA H H 1 7.894 0.02 . 1 . . . . 83 ALA H . 7247 1 1042 . 1 1 83 83 ALA HA H 1 4.268 0.02 . 1 . . . . 83 ALA HA . 7247 1 1043 . 1 1 83 83 ALA HB1 H 1 1.616 0.02 . 1 . . . . 83 ALA HB . 7247 1 1044 . 1 1 83 83 ALA HB2 H 1 1.616 0.02 . 1 . . . . 83 ALA HB . 7247 1 1045 . 1 1 83 83 ALA HB3 H 1 1.616 0.02 . 1 . . . . 83 ALA HB . 7247 1 1046 . 1 1 83 83 ALA C C 13 180.195 0.1 . 1 . . . . 83 ALA C . 7247 1 1047 . 1 1 83 83 ALA CA C 13 54.669 0.1 . 1 . . . . 83 ALA CA . 7247 1 1048 . 1 1 83 83 ALA CB C 13 18.219 0.1 . 1 . . . . 83 ALA CB . 7247 1 1049 . 1 1 83 83 ALA N N 15 121.51 0.1 . 1 . . . . 83 ALA N . 7247 1 1050 . 1 1 84 84 ALA H H 1 8.199 0.02 . 1 . . . . 84 ALA H . 7247 1 1051 . 1 1 84 84 ALA HA H 1 4.271 0.02 . 1 . . . . 84 ALA HA . 7247 1 1052 . 1 1 84 84 ALA HB1 H 1 1.556 0.02 . 1 . . . . 84 ALA HB . 7247 1 1053 . 1 1 84 84 ALA HB2 H 1 1.556 0.02 . 1 . . . . 84 ALA HB . 7247 1 1054 . 1 1 84 84 ALA HB3 H 1 1.556 0.02 . 1 . . . . 84 ALA HB . 7247 1 1055 . 1 1 84 84 ALA C C 13 179.921 0.1 . 1 . . . . 84 ALA C . 7247 1 1056 . 1 1 84 84 ALA CA C 13 54.341 0.1 . 1 . . . . 84 ALA CA . 7247 1 1057 . 1 1 84 84 ALA CB C 13 18.719 0.1 . 1 . . . . 84 ALA CB . 7247 1 1058 . 1 1 84 84 ALA N N 15 121.126 0.1 . 1 . . . . 84 ALA N . 7247 1 1059 . 1 1 85 85 SER H H 1 8.205 0.02 . 1 . . . . 85 SER H . 7247 1 1060 . 1 1 85 85 SER HA H 1 4.107 0.02 . 1 . . . . 85 SER HA . 7247 1 1061 . 1 1 85 85 SER HB2 H 1 4.023 0.02 . 2 . . . . 85 SER HB2 . 7247 1 1062 . 1 1 85 85 SER C C 13 175.415 0.1 . 1 . . . . 85 SER C . 7247 1 1063 . 1 1 85 85 SER CA C 13 60.784 0.1 . 1 . . . . 85 SER CA . 7247 1 1064 . 1 1 85 85 SER CB C 13 63.066 0.1 . 1 . . . . 85 SER CB . 7247 1 1065 . 1 1 85 85 SER N N 15 113.231 0.1 . 1 . . . . 85 SER N . 7247 1 1066 . 1 1 86 86 LYS H H 1 7.464 0.02 . 1 . . . . 86 LYS H . 7247 1 1067 . 1 1 86 86 LYS HA H 1 4.28 0.02 . 1 . . . . 86 LYS HA . 7247 1 1068 . 1 1 86 86 LYS HB2 H 1 1.932 0.02 . 2 . . . . 86 LYS HB2 . 7247 1 1069 . 1 1 86 86 LYS HG2 H 1 1.543 0.02 . 2 . . . . 86 LYS HG2 . 7247 1 1070 . 1 1 86 86 LYS HD2 H 1 1.714 0.02 . 2 . . . . 86 LYS HD2 . 7247 1 1071 . 1 1 86 86 LYS HE2 H 1 3 0.02 . 2 . . . . 86 LYS HE2 . 7247 1 1072 . 1 1 86 86 LYS C C 13 177.204 0.1 . 1 . . . . 86 LYS C . 7247 1 1073 . 1 1 86 86 LYS CA C 13 57.937 0.1 . 1 . . . . 86 LYS CA . 7247 1 1074 . 1 1 86 86 LYS CB C 13 32.373 0.1 . 1 . . . . 86 LYS CB . 7247 1 1075 . 1 1 86 86 LYS CG C 13 25.088 0.1 . 1 . . . . 86 LYS CG . 7247 1 1076 . 1 1 86 86 LYS CD C 13 28.958 0.1 . 1 . . . . 86 LYS CD . 7247 1 1077 . 1 1 86 86 LYS CE C 13 42.1 0.1 . 1 . . . . 86 LYS CE . 7247 1 1078 . 1 1 86 86 LYS N N 15 120.12 0.1 . 1 . . . . 86 LYS N . 7247 1 1079 . 1 1 87 87 GLN H H 1 7.789 0.02 . 1 . . . . 87 GLN H . 7247 1 1080 . 1 1 87 87 GLN HA H 1 4.301 0.02 . 1 . . . . 87 GLN HA . 7247 1 1081 . 1 1 87 87 GLN HB2 H 1 2.155 0.02 . 2 . . . . 87 GLN HB2 . 7247 1 1082 . 1 1 87 87 GLN HG2 H 1 2.417 0.02 . 2 . . . . 87 GLN HG2 . 7247 1 1083 . 1 1 87 87 GLN HE21 H 1 7.491 0.02 . 1 . . . . 87 GLN HE21 . 7247 1 1084 . 1 1 87 87 GLN HE22 H 1 6.825 0.02 . 1 . . . . 87 GLN HE22 . 7247 1 1085 . 1 1 87 87 GLN C C 13 176.899 0.1 . 1 . . . . 87 GLN C . 7247 1 1086 . 1 1 87 87 GLN CA C 13 56.657 0.1 . 1 . . . . 87 GLN CA . 7247 1 1087 . 1 1 87 87 GLN CB C 13 29.61 0.1 . 1 . . . . 87 GLN CB . 7247 1 1088 . 1 1 87 87 GLN CG C 13 33.891 0.1 . 1 . . . . 87 GLN CG . 7247 1 1089 . 1 1 87 87 GLN N N 15 117.633 0.1 . 1 . . . . 87 GLN N . 7247 1 1090 . 1 1 87 87 GLN NE2 N 15 111.5 0.1 . 1 . . . . 87 GLN NE2 . 7247 1 1091 . 1 1 88 88 GLY H H 1 8.092 0.02 . 1 . . . . 88 GLY H . 7247 1 1092 . 1 1 88 88 GLY HA2 H 1 3.917 0.02 . 1 . . . . 88 GLY HA2 . 7247 1 1093 . 1 1 88 88 GLY HA3 H 1 3.917 0.02 . 1 . . . . 88 GLY HA3 . 7247 1 1094 . 1 1 88 88 GLY C C 13 173.586 0.1 . 1 . . . . 88 GLY C . 7247 1 1095 . 1 1 88 88 GLY CA C 13 46.424 0.1 . 1 . . . . 88 GLY CA . 7247 1 1096 . 1 1 88 88 GLY N N 15 107.515 0.1 . 1 . . . . 88 GLY N . 7247 1 1097 . 1 1 89 89 ASN H H 1 8.198 0.02 . 1 . . . . 89 ASN H . 7247 1 1098 . 1 1 89 89 ASN HA H 1 4.895 0.02 . 1 . . . . 89 ASN HA . 7247 1 1099 . 1 1 89 89 ASN HB2 H 1 2.947 0.02 . 1 . . . . 89 ASN HB2 . 7247 1 1100 . 1 1 89 89 ASN HB3 H 1 2.823 0.02 . 1 . . . . 89 ASN HB3 . 7247 1 1101 . 1 1 89 89 ASN HD21 H 1 7.687 0.02 . 1 . . . . 89 ASN HD21 . 7247 1 1102 . 1 1 89 89 ASN HD22 H 1 7.088 0.02 . 1 . . . . 89 ASN HD22 . 7247 1 1103 . 1 1 89 89 ASN C C 13 175.424 0.1 . 1 . . . . 89 ASN C . 7247 1 1104 . 1 1 89 89 ASN CA C 13 52.383 0.1 . 1 . . . . 89 ASN CA . 7247 1 1105 . 1 1 89 89 ASN CB C 13 39.829 0.1 . 1 . . . . 89 ASN CB . 7247 1 1106 . 1 1 89 89 ASN N N 15 118.396 0.1 . 1 . . . . 89 ASN N . 7247 1 1107 . 1 1 89 89 ASN ND2 N 15 112.939 0.1 . 1 . . . . 89 ASN ND2 . 7247 1 1108 . 1 1 90 90 ALA H H 1 9.024 0.02 . 1 . . . . 90 ALA H . 7247 1 1109 . 1 1 90 90 ALA HA H 1 4.124 0.02 . 1 . . . . 90 ALA HA . 7247 1 1110 . 1 1 90 90 ALA HB1 H 1 1.533 0.02 . 1 . . . . 90 ALA HB . 7247 1 1111 . 1 1 90 90 ALA HB2 H 1 1.533 0.02 . 1 . . . . 90 ALA HB . 7247 1 1112 . 1 1 90 90 ALA HB3 H 1 1.533 0.02 . 1 . . . . 90 ALA HB . 7247 1 1113 . 1 1 90 90 ALA C C 13 179.419 0.1 . 1 . . . . 90 ALA C . 7247 1 1114 . 1 1 90 90 ALA CA C 13 55.654 0.1 . 1 . . . . 90 ALA CA . 7247 1 1115 . 1 1 90 90 ALA CB C 13 18.681 0.1 . 1 . . . . 90 ALA CB . 7247 1 1116 . 1 1 90 90 ALA N N 15 127.723 0.1 . 1 . . . . 90 ALA N . 7247 1 1117 . 1 1 91 91 GLU H H 1 8.446 0.02 . 1 . . . . 91 GLU H . 7247 1 1118 . 1 1 91 91 GLU HA H 1 4.118 0.02 . 1 . . . . 91 GLU HA . 7247 1 1119 . 1 1 91 91 GLU HB2 H 1 2.137 0.02 . 2 . . . . 91 GLU HB2 . 7247 1 1120 . 1 1 91 91 GLU HG2 H 1 2.352 0.02 . 2 . . . . 91 GLU HG2 . 7247 1 1121 . 1 1 91 91 GLU C C 13 179.456 0.1 . 1 . . . . 91 GLU C . 7247 1 1122 . 1 1 91 91 GLU CA C 13 59.689 0.1 . 1 . . . . 91 GLU CA . 7247 1 1123 . 1 1 91 91 GLU CB C 13 28.971 0.1 . 1 . . . . 91 GLU CB . 7247 1 1124 . 1 1 91 91 GLU CG C 13 36.495 0.1 . 1 . . . . 91 GLU CG . 7247 1 1125 . 1 1 91 91 GLU N N 15 119.422 0.1 . 1 . . . . 91 GLU N . 7247 1 1126 . 1 1 92 92 GLN H H 1 8.246 0.02 . 1 . . . . 92 GLN H . 7247 1 1127 . 1 1 92 92 GLN HA H 1 4.135 0.02 . 1 . . . . 92 GLN HA . 7247 1 1128 . 1 1 92 92 GLN HB2 H 1 2.156 0.02 . 1 . . . . 92 GLN HB2 . 7247 1 1129 . 1 1 92 92 GLN HB3 H 1 2.044 0.02 . 1 . . . . 92 GLN HB3 . 7247 1 1130 . 1 1 92 92 GLN HG2 H 1 2.414 0.02 . 2 . . . . 92 GLN HG2 . 7247 1 1131 . 1 1 92 92 GLN HE21 H 1 7.41 0.02 . 1 . . . . 92 GLN HE21 . 7247 1 1132 . 1 1 92 92 GLN HE22 H 1 6.868 0.02 . 1 . . . . 92 GLN HE22 . 7247 1 1133 . 1 1 92 92 GLN C C 13 178.99 0.1 . 1 . . . . 92 GLN C . 7247 1 1134 . 1 1 92 92 GLN CA C 13 58.144 0.1 . 1 . . . . 92 GLN CA . 7247 1 1135 . 1 1 92 92 GLN CB C 13 28.481 0.1 . 1 . . . . 92 GLN CB . 7247 1 1136 . 1 1 92 92 GLN CG C 13 34.184 0.1 . 1 . . . . 92 GLN CG . 7247 1 1137 . 1 1 92 92 GLN N N 15 119.903 0.1 . 1 . . . . 92 GLN N . 7247 1 1138 . 1 1 92 92 GLN NE2 N 15 111.329 0.1 . 1 . . . . 92 GLN NE2 . 7247 1 1139 . 1 1 93 93 PHE H H 1 8.384 0.02 . 1 . . . . 93 PHE H . 7247 1 1140 . 1 1 93 93 PHE HA H 1 4.231 0.02 . 1 . . . . 93 PHE HA . 7247 1 1141 . 1 1 93 93 PHE HB2 H 1 3.352 0.02 . 1 . . . . 93 PHE HB2 . 7247 1 1142 . 1 1 93 93 PHE HB3 H 1 3.085 0.02 . 1 . . . . 93 PHE HB3 . 7247 1 1143 . 1 1 93 93 PHE HD1 H 1 7.161 0.02 . 1 . . . . 93 PHE HD1 . 7247 1 1144 . 1 1 93 93 PHE HD2 H 1 7.161 0.02 . 1 . . . . 93 PHE HD2 . 7247 1 1145 . 1 1 93 93 PHE HE1 H 1 7.084 0.02 . 1 . . . . 93 PHE HE1 . 7247 1 1146 . 1 1 93 93 PHE HE2 H 1 7.084 0.02 . 1 . . . . 93 PHE HE2 . 7247 1 1147 . 1 1 93 93 PHE HZ H 1 7.011 0.02 . 1 . . . . 93 PHE HZ . 7247 1 1148 . 1 1 93 93 PHE C C 13 176.537 0.1 . 1 . . . . 93 PHE C . 7247 1 1149 . 1 1 93 93 PHE CA C 13 61.517 0.1 . 1 . . . . 93 PHE CA . 7247 1 1150 . 1 1 93 93 PHE CB C 13 39.197 0.1 . 1 . . . . 93 PHE CB . 7247 1 1151 . 1 1 93 93 PHE CD1 C 13 131.389 0.1 . 1 . . . . 93 PHE CD1 . 7247 1 1152 . 1 1 93 93 PHE CD2 C 13 131.389 0.1 . 1 . . . . 93 PHE CD2 . 7247 1 1153 . 1 1 93 93 PHE CE1 C 13 130.616 0.1 . 1 . . . . 93 PHE CE1 . 7247 1 1154 . 1 1 93 93 PHE CE2 C 13 130.616 0.1 . 1 . . . . 93 PHE CE2 . 7247 1 1155 . 1 1 93 93 PHE CZ C 13 128.979 0.1 . 1 . . . . 93 PHE CZ . 7247 1 1156 . 1 1 93 93 PHE N N 15 121.405 0.1 . 1 . . . . 93 PHE N . 7247 1 1157 . 1 1 94 94 ALA H H 1 8.342 0.02 . 1 . . . . 94 ALA H . 7247 1 1158 . 1 1 94 94 ALA HA H 1 3.722 0.02 . 1 . . . . 94 ALA HA . 7247 1 1159 . 1 1 94 94 ALA HB1 H 1 1.477 0.02 . 1 . . . . 94 ALA HB . 7247 1 1160 . 1 1 94 94 ALA HB2 H 1 1.477 0.02 . 1 . . . . 94 ALA HB . 7247 1 1161 . 1 1 94 94 ALA HB3 H 1 1.477 0.02 . 1 . . . . 94 ALA HB . 7247 1 1162 . 1 1 94 94 ALA C C 13 179.655 0.1 . 1 . . . . 94 ALA C . 7247 1 1163 . 1 1 94 94 ALA CA C 13 55.578 0.1 . 1 . . . . 94 ALA CA . 7247 1 1164 . 1 1 94 94 ALA CB C 13 17.747 0.1 . 1 . . . . 94 ALA CB . 7247 1 1165 . 1 1 94 94 ALA N N 15 120.429 0.1 . 1 . . . . 94 ALA N . 7247 1 1166 . 1 1 95 95 SER H H 1 7.657 0.02 . 1 . . . . 95 SER H . 7247 1 1167 . 1 1 95 95 SER HA H 1 4.128 0.02 . 1 . . . . 95 SER HA . 7247 1 1168 . 1 1 95 95 SER HB2 H 1 3.902 0.02 . 2 . . . . 95 SER HB2 . 7247 1 1169 . 1 1 95 95 SER C C 13 176.885 0.1 . 1 . . . . 95 SER C . 7247 1 1170 . 1 1 95 95 SER CA C 13 61.498 0.1 . 1 . . . . 95 SER CA . 7247 1 1171 . 1 1 95 95 SER CB C 13 62.645 0.1 . 1 . . . . 95 SER CB . 7247 1 1172 . 1 1 95 95 SER N N 15 112.537 0.1 . 1 . . . . 95 SER N . 7247 1 1173 . 1 1 96 96 LEU H H 1 7.753 0.02 . 1 . . . . 96 LEU H . 7247 1 1174 . 1 1 96 96 LEU HA H 1 4.029 0.02 . 1 . . . . 96 LEU HA . 7247 1 1175 . 1 1 96 96 LEU HB2 H 1 1.892 0.02 . 1 . . . . 96 LEU HB2 . 7247 1 1176 . 1 1 96 96 LEU HB3 H 1 1.526 0.02 . 1 . . . . 96 LEU HB3 . 7247 1 1177 . 1 1 96 96 LEU HG H 1 1.429 0.02 . 1 . . . . 96 LEU HG . 7247 1 1178 . 1 1 96 96 LEU HD11 H 1 0.721 0.02 . 1 . . . . 96 LEU HD1 . 7247 1 1179 . 1 1 96 96 LEU HD12 H 1 0.721 0.02 . 1 . . . . 96 LEU HD1 . 7247 1 1180 . 1 1 96 96 LEU HD13 H 1 0.721 0.02 . 1 . . . . 96 LEU HD1 . 7247 1 1181 . 1 1 96 96 LEU HD21 H 1 0.829 0.02 . 1 . . . . 96 LEU HD2 . 7247 1 1182 . 1 1 96 96 LEU HD22 H 1 0.829 0.02 . 1 . . . . 96 LEU HD2 . 7247 1 1183 . 1 1 96 96 LEU HD23 H 1 0.829 0.02 . 1 . . . . 96 LEU HD2 . 7247 1 1184 . 1 1 96 96 LEU C C 13 178.481 0.1 . 1 . . . . 96 LEU C . 7247 1 1185 . 1 1 96 96 LEU CA C 13 57.703 0.1 . 1 . . . . 96 LEU CA . 7247 1 1186 . 1 1 96 96 LEU CB C 13 41.431 0.1 . 1 . . . . 96 LEU CB . 7247 1 1187 . 1 1 96 96 LEU CG C 13 26.926 0.1 . 1 . . . . 96 LEU CG . 7247 1 1188 . 1 1 96 96 LEU CD1 C 13 23.605 0.1 . 1 . . . . 96 LEU CD1 . 7247 1 1189 . 1 1 96 96 LEU CD2 C 13 26.111 0.1 . 1 . . . . 96 LEU CD2 . 7247 1 1190 . 1 1 96 96 LEU N N 15 124.592 0.1 . 1 . . . . 96 LEU N . 7247 1 1191 . 1 1 97 97 VAL H H 1 8.301 0.02 . 1 . . . . 97 VAL H . 7247 1 1192 . 1 1 97 97 VAL HA H 1 3.111 0.02 . 1 . . . . 97 VAL HA . 7247 1 1193 . 1 1 97 97 VAL HB H 1 1.969 0.02 . 1 . . . . 97 VAL HB . 7247 1 1194 . 1 1 97 97 VAL HG11 H 1 0.878 0.02 . 1 . . . . 97 VAL HG1 . 7247 1 1195 . 1 1 97 97 VAL HG12 H 1 0.878 0.02 . 1 . . . . 97 VAL HG1 . 7247 1 1196 . 1 1 97 97 VAL HG13 H 1 0.878 0.02 . 1 . . . . 97 VAL HG1 . 7247 1 1197 . 1 1 97 97 VAL HG21 H 1 0.543 0.02 . 1 . . . . 97 VAL HG2 . 7247 1 1198 . 1 1 97 97 VAL HG22 H 1 0.543 0.02 . 1 . . . . 97 VAL HG2 . 7247 1 1199 . 1 1 97 97 VAL HG23 H 1 0.543 0.02 . 1 . . . . 97 VAL HG2 . 7247 1 1200 . 1 1 97 97 VAL C C 13 177.115 0.1 . 1 . . . . 97 VAL C . 7247 1 1201 . 1 1 97 97 VAL CA C 13 66.85 0.1 . 1 . . . . 97 VAL CA . 7247 1 1202 . 1 1 97 97 VAL CB C 13 30.718 0.1 . 1 . . . . 97 VAL CB . 7247 1 1203 . 1 1 97 97 VAL CG1 C 13 22.797 0.1 . 1 . . . . 97 VAL CG1 . 7247 1 1204 . 1 1 97 97 VAL CG2 C 13 23.385 0.1 . 1 . . . . 97 VAL CG2 . 7247 1 1205 . 1 1 97 97 VAL N N 15 118.417 0.1 . 1 . . . . 97 VAL N . 7247 1 1206 . 1 1 98 98 GLN H H 1 7.758 0.02 . 1 . . . . 98 GLN H . 7247 1 1207 . 1 1 98 98 GLN HA H 1 3.845 0.02 . 1 . . . . 98 GLN HA . 7247 1 1208 . 1 1 98 98 GLN HB2 H 1 2.145 0.02 . 2 . . . . 98 GLN HB2 . 7247 1 1209 . 1 1 98 98 GLN HG2 H 1 2.454 0.02 . 1 . . . . 98 GLN HG2 . 7247 1 1210 . 1 1 98 98 GLN HG3 H 1 2.33 0.02 . 1 . . . . 98 GLN HG3 . 7247 1 1211 . 1 1 98 98 GLN HE21 H 1 7.691 0.02 . 1 . . . . 98 GLN HE21 . 7247 1 1212 . 1 1 98 98 GLN HE22 H 1 6.9 0.02 . 1 . . . . 98 GLN HE22 . 7247 1 1213 . 1 1 98 98 GLN C C 13 178.376 0.1 . 1 . . . . 98 GLN C . 7247 1 1214 . 1 1 98 98 GLN CA C 13 59.505 0.1 . 1 . . . . 98 GLN CA . 7247 1 1215 . 1 1 98 98 GLN CB C 13 28.389 0.1 . 1 . . . . 98 GLN CB . 7247 1 1216 . 1 1 98 98 GLN CG C 13 34.307 0.1 . 1 . . . . 98 GLN CG . 7247 1 1217 . 1 1 98 98 GLN N N 15 117.458 0.1 . 1 . . . . 98 GLN N . 7247 1 1218 . 1 1 98 98 GLN NE2 N 15 112.636 0.1 . 1 . . . . 98 GLN NE2 . 7247 1 1219 . 1 1 99 99 GLN H H 1 7.443 0.02 . 1 . . . . 99 GLN H . 7247 1 1220 . 1 1 99 99 GLN HA H 1 3.987 0.02 . 1 . . . . 99 GLN HA . 7247 1 1221 . 1 1 99 99 GLN HB2 H 1 2.174 0.02 . 2 . . . . 99 GLN HB2 . 7247 1 1222 . 1 1 99 99 GLN HG2 H 1 2.356 0.02 . 2 . . . . 99 GLN HG2 . 7247 1 1223 . 1 1 99 99 GLN HE21 H 1 7.201 0.02 . 1 . . . . 99 GLN HE21 . 7247 1 1224 . 1 1 99 99 GLN HE22 H 1 6.531 0.02 . 1 . . . . 99 GLN HE22 . 7247 1 1225 . 1 1 99 99 GLN C C 13 178.68 0.1 . 1 . . . . 99 GLN C . 7247 1 1226 . 1 1 99 99 GLN CA C 13 58.721 0.1 . 1 . . . . 99 GLN CA . 7247 1 1227 . 1 1 99 99 GLN CB C 13 28.43 0.1 . 1 . . . . 99 GLN CB . 7247 1 1228 . 1 1 99 99 GLN CG C 13 33.773 0.1 . 1 . . . . 99 GLN CG . 7247 1 1229 . 1 1 99 99 GLN N N 15 119.184 0.1 . 1 . . . . 99 GLN N . 7247 1 1230 . 1 1 99 99 GLN NE2 N 15 112.142 0.1 . 1 . . . . 99 GLN NE2 . 7247 1 1231 . 1 1 100 100 ILE H H 1 8.469 0.02 . 1 . . . . 100 ILE H . 7247 1 1232 . 1 1 100 100 ILE HA H 1 3.132 0.02 . 1 . . . . 100 ILE HA . 7247 1 1233 . 1 1 100 100 ILE HB H 1 1.054 0.02 . 1 . . . . 100 ILE HB . 7247 1 1234 . 1 1 100 100 ILE HG12 H 1 1.018 0.02 . 2 . . . . 100 ILE HG12 . 7247 1 1235 . 1 1 100 100 ILE HG21 H 1 -0.132 0.02 . 1 . . . . 100 ILE HG2 . 7247 1 1236 . 1 1 100 100 ILE HG22 H 1 -0.132 0.02 . 1 . . . . 100 ILE HG2 . 7247 1 1237 . 1 1 100 100 ILE HG23 H 1 -0.132 0.02 . 1 . . . . 100 ILE HG2 . 7247 1 1238 . 1 1 100 100 ILE HD11 H 1 0.925 0.02 . 1 . . . . 100 ILE HD1 . 7247 1 1239 . 1 1 100 100 ILE HD12 H 1 0.925 0.02 . 1 . . . . 100 ILE HD1 . 7247 1 1240 . 1 1 100 100 ILE HD13 H 1 0.925 0.02 . 1 . . . . 100 ILE HD1 . 7247 1 1241 . 1 1 100 100 ILE C C 13 178.413 0.1 . 1 . . . . 100 ILE C . 7247 1 1242 . 1 1 100 100 ILE CA C 13 66.438 0.1 . 1 . . . . 100 ILE CA . 7247 1 1243 . 1 1 100 100 ILE CB C 13 37.273 0.1 . 1 . . . . 100 ILE CB . 7247 1 1244 . 1 1 100 100 ILE CG1 C 13 29.576 0.1 . 1 . . . . 100 ILE CG1 . 7247 1 1245 . 1 1 100 100 ILE CG2 C 13 16.817 0.1 . 1 . . . . 100 ILE CG2 . 7247 1 1246 . 1 1 100 100 ILE CD1 C 13 13.573 0.1 . 1 . . . . 100 ILE CD1 . 7247 1 1247 . 1 1 100 100 ILE N N 15 121.606 0.1 . 1 . . . . 100 ILE N . 7247 1 1248 . 1 1 101 101 LEU H H 1 8.638 0.02 . 1 . . . . 101 LEU H . 7247 1 1249 . 1 1 101 101 LEU HA H 1 3.593 0.02 . 1 . . . . 101 LEU HA . 7247 1 1250 . 1 1 101 101 LEU HB2 H 1 1.587 0.02 . 2 . . . . 101 LEU HB2 . 7247 1 1251 . 1 1 101 101 LEU HG H 1 1.411 0.02 . 1 . . . . 101 LEU HG . 7247 1 1252 . 1 1 101 101 LEU HD11 H 1 0.843 0.02 . 1 . . . . 101 LEU HD1 . 7247 1 1253 . 1 1 101 101 LEU HD12 H 1 0.843 0.02 . 1 . . . . 101 LEU HD1 . 7247 1 1254 . 1 1 101 101 LEU HD13 H 1 0.843 0.02 . 1 . . . . 101 LEU HD1 . 7247 1 1255 . 1 1 101 101 LEU HD21 H 1 0.901 0.02 . 1 . . . . 101 LEU HD2 . 7247 1 1256 . 1 1 101 101 LEU HD22 H 1 0.901 0.02 . 1 . . . . 101 LEU HD2 . 7247 1 1257 . 1 1 101 101 LEU HD23 H 1 0.901 0.02 . 1 . . . . 101 LEU HD2 . 7247 1 1258 . 1 1 101 101 LEU C C 13 178.909 0.1 . 1 . . . . 101 LEU C . 7247 1 1259 . 1 1 101 101 LEU CA C 13 58.769 0.1 . 1 . . . . 101 LEU CA . 7247 1 1260 . 1 1 101 101 LEU CB C 13 41.749 0.1 . 1 . . . . 101 LEU CB . 7247 1 1261 . 1 1 101 101 LEU CG C 13 27.655 0.1 . 1 . . . . 101 LEU CG . 7247 1 1262 . 1 1 101 101 LEU CD1 C 13 25.881 0.1 . 1 . . . . 101 LEU CD1 . 7247 1 1263 . 1 1 101 101 LEU CD2 C 13 26.036 0.1 . 1 . . . . 101 LEU CD2 . 7247 1 1264 . 1 1 101 101 LEU N N 15 120.43 0.1 . 1 . . . . 101 LEU N . 7247 1 1265 . 1 1 102 102 GLN H H 1 7.369 0.02 . 1 . . . . 102 GLN H . 7247 1 1266 . 1 1 102 102 GLN HA H 1 4.02 0.02 . 1 . . . . 102 GLN HA . 7247 1 1267 . 1 1 102 102 GLN HB2 H 1 2.134 0.02 . 2 . . . . 102 GLN HB2 . 7247 1 1268 . 1 1 102 102 GLN HG2 H 1 2.557 0.02 . 1 . . . . 102 GLN HG2 . 7247 1 1269 . 1 1 102 102 GLN HG3 H 1 2.396 0.02 . 1 . . . . 102 GLN HG3 . 7247 1 1270 . 1 1 102 102 GLN HE21 H 1 7.384 0.02 . 1 . . . . 102 GLN HE21 . 7247 1 1271 . 1 1 102 102 GLN HE22 H 1 6.834 0.02 . 1 . . . . 102 GLN HE22 . 7247 1 1272 . 1 1 102 102 GLN C C 13 179.282 0.1 . 1 . . . . 102 GLN C . 7247 1 1273 . 1 1 102 102 GLN CA C 13 59.02 0.1 . 1 . . . . 102 GLN CA . 7247 1 1274 . 1 1 102 102 GLN CB C 13 28.147 0.1 . 1 . . . . 102 GLN CB . 7247 1 1275 . 1 1 102 102 GLN CG C 13 34.392 0.1 . 1 . . . . 102 GLN CG . 7247 1 1276 . 1 1 102 102 GLN N N 15 116.969 0.1 . 1 . . . . 102 GLN N . 7247 1 1277 . 1 1 102 102 GLN NE2 N 15 111.541 0.1 . 1 . . . . 102 GLN NE2 . 7247 1 1278 . 1 1 103 103 ASP H H 1 7.673 0.02 . 1 . . . . 103 ASP H . 7247 1 1279 . 1 1 103 103 ASP HA H 1 4.21 0.02 . 1 . . . . 103 ASP HA . 7247 1 1280 . 1 1 103 103 ASP HB2 H 1 3.337 0.02 . 1 . . . . 103 ASP HB2 . 7247 1 1281 . 1 1 103 103 ASP HB3 H 1 2.181 0.02 . 1 . . . . 103 ASP HB3 . 7247 1 1282 . 1 1 103 103 ASP C C 13 177.397 0.1 . 1 . . . . 103 ASP C . 7247 1 1283 . 1 1 103 103 ASP CA C 13 57.289 0.1 . 1 . . . . 103 ASP CA . 7247 1 1284 . 1 1 103 103 ASP CB C 13 40.897 0.1 . 1 . . . . 103 ASP CB . 7247 1 1285 . 1 1 103 103 ASP N N 15 121.03 0.1 . 1 . . . . 103 ASP N . 7247 1 1286 . 1 1 104 104 GLU H H 1 8.48 0.02 . 1 . . . . 104 GLU H . 7247 1 1287 . 1 1 104 104 GLU HA H 1 4.585 0.02 . 1 . . . . 104 GLU HA . 7247 1 1288 . 1 1 104 104 GLU HB2 H 1 1.77 0.02 . 1 . . . . 104 GLU HB2 . 7247 1 1289 . 1 1 104 104 GLU HB3 H 1 2.472 0.02 . 1 . . . . 104 GLU HB3 . 7247 1 1290 . 1 1 104 104 GLU HG2 H 1 2.941 0.02 . 1 . . . . 104 GLU HG2 . 7247 1 1291 . 1 1 104 104 GLU HG3 H 1 2.383 0.02 . 1 . . . . 104 GLU HG3 . 7247 1 1292 . 1 1 104 104 GLU C C 13 179.591 0.1 . 1 . . . . 104 GLU C . 7247 1 1293 . 1 1 104 104 GLU CA C 13 57.822 0.1 . 1 . . . . 104 GLU CA . 7247 1 1294 . 1 1 104 104 GLU CB C 13 28.452 0.1 . 1 . . . . 104 GLU CB . 7247 1 1295 . 1 1 104 104 GLU CG C 13 33.059 0.1 . 1 . . . . 104 GLU CG . 7247 1 1296 . 1 1 104 104 GLU N N 15 115.895 0.1 . 1 . . . . 104 GLU N . 7247 1 1297 . 1 1 105 105 GLN H H 1 8.064 0.02 . 1 . . . . 105 GLN H . 7247 1 1298 . 1 1 105 105 GLN HA H 1 3.98 0.02 . 1 . . . . 105 GLN HA . 7247 1 1299 . 1 1 105 105 GLN HB2 H 1 2.175 0.02 . 1 . . . . 105 GLN HB2 . 7247 1 1300 . 1 1 105 105 GLN HB3 H 1 2.059 0.02 . 1 . . . . 105 GLN HB3 . 7247 1 1301 . 1 1 105 105 GLN HG2 H 1 2.51 0.02 . 1 . . . . 105 GLN HG2 . 7247 1 1302 . 1 1 105 105 GLN HG3 H 1 2.368 0.02 . 1 . . . . 105 GLN HG3 . 7247 1 1303 . 1 1 105 105 GLN HE21 H 1 7.322 0.02 . 1 . . . . 105 GLN HE21 . 7247 1 1304 . 1 1 105 105 GLN HE22 H 1 6.795 0.02 . 1 . . . . 105 GLN HE22 . 7247 1 1305 . 1 1 105 105 GLN C C 13 179.02 0.1 . 1 . . . . 105 GLN C . 7247 1 1306 . 1 1 105 105 GLN CA C 13 58.898 0.1 . 1 . . . . 105 GLN CA . 7247 1 1307 . 1 1 105 105 GLN CB C 13 28.169 0.1 . 1 . . . . 105 GLN CB . 7247 1 1308 . 1 1 105 105 GLN CG C 13 34.265 0.1 . 1 . . . . 105 GLN CG . 7247 1 1309 . 1 1 105 105 GLN N N 15 115.917 0.1 . 1 . . . . 105 GLN N . 7247 1 1310 . 1 1 105 105 GLN NE2 N 15 110.192 0.1 . 1 . . . . 105 GLN NE2 . 7247 1 1311 . 1 1 106 106 ARG H H 1 7.689 0.02 . 1 . . . . 106 ARG H . 7247 1 1312 . 1 1 106 106 ARG HA H 1 4.148 0.02 . 1 . . . . 106 ARG HA . 7247 1 1313 . 1 1 106 106 ARG HB2 H 1 2.126 0.02 . 1 . . . . 106 ARG HB2 . 7247 1 1314 . 1 1 106 106 ARG HB3 H 1 1.91 0.02 . 1 . . . . 106 ARG HB3 . 7247 1 1315 . 1 1 106 106 ARG HG2 H 1 1.766 0.02 . 1 . . . . 106 ARG HG2 . 7247 1 1316 . 1 1 106 106 ARG HG3 H 1 1.639 0.02 . 1 . . . . 106 ARG HG3 . 7247 1 1317 . 1 1 106 106 ARG HD2 H 1 3.38 0.02 . 1 . . . . 106 ARG HD2 . 7247 1 1318 . 1 1 106 106 ARG HD3 H 1 3.239 0.02 . 1 . . . . 106 ARG HD3 . 7247 1 1319 . 1 1 106 106 ARG C C 13 178.692 0.1 . 1 . . . . 106 ARG C . 7247 1 1320 . 1 1 106 106 ARG CA C 13 59.375 0.1 . 1 . . . . 106 ARG CA . 7247 1 1321 . 1 1 106 106 ARG CB C 13 29.222 0.1 . 1 . . . . 106 ARG CB . 7247 1 1322 . 1 1 106 106 ARG CG C 13 27.703 0.1 . 1 . . . . 106 ARG CG . 7247 1 1323 . 1 1 106 106 ARG CD C 13 43.199 0.1 . 1 . . . . 106 ARG CD . 7247 1 1324 . 1 1 106 106 ARG N N 15 121.639 0.1 . 1 . . . . 106 ARG N . 7247 1 1325 . 1 1 107 107 HIS H H 1 8.63 0.02 . 1 . . . . 107 HIS H . 7247 1 1326 . 1 1 107 107 HIS HA H 1 4.397 0.02 . 1 . . . . 107 HIS HA . 7247 1 1327 . 1 1 107 107 HIS HB2 H 1 3.73 0.02 . 1 . . . . 107 HIS HB2 . 7247 1 1328 . 1 1 107 107 HIS HB3 H 1 3.175 0.02 . 1 . . . . 107 HIS HB3 . 7247 1 1329 . 1 1 107 107 HIS HD2 H 1 6.949 0.02 . 1 . . . . 107 HIS HD2 . 7247 1 1330 . 1 1 107 107 HIS HE1 H 1 7.408 0.02 . 1 . . . . 107 HIS HE1 . 7247 1 1331 . 1 1 107 107 HIS C C 13 177.49 0.1 . 1 . . . . 107 HIS C . 7247 1 1332 . 1 1 107 107 HIS CA C 13 57.628 0.1 . 1 . . . . 107 HIS CA . 7247 1 1333 . 1 1 107 107 HIS CB C 13 30.516 0.1 . 1 . . . . 107 HIS CB . 7247 1 1334 . 1 1 107 107 HIS CD2 C 13 118.031 0.1 . 1 . . . . 107 HIS CD2 . 7247 1 1335 . 1 1 107 107 HIS CE1 C 13 136.666 0.1 . 1 . . . . 107 HIS CE1 . 7247 1 1336 . 1 1 107 107 HIS N N 15 120.014 0.1 . 1 . . . . 107 HIS N . 7247 1 1337 . 1 1 108 108 VAL H H 1 7.911 0.02 . 1 . . . . 108 VAL H . 7247 1 1338 . 1 1 108 108 VAL HA H 1 3.459 0.02 . 1 . . . . 108 VAL HA . 7247 1 1339 . 1 1 108 108 VAL HB H 1 2.256 0.02 . 1 . . . . 108 VAL HB . 7247 1 1340 . 1 1 108 108 VAL HG11 H 1 0.917 0.02 . 1 . . . . 108 VAL HG1 . 7247 1 1341 . 1 1 108 108 VAL HG12 H 1 0.917 0.02 . 1 . . . . 108 VAL HG1 . 7247 1 1342 . 1 1 108 108 VAL HG13 H 1 0.917 0.02 . 1 . . . . 108 VAL HG1 . 7247 1 1343 . 1 1 108 108 VAL HG21 H 1 1.102 0.02 . 1 . . . . 108 VAL HG2 . 7247 1 1344 . 1 1 108 108 VAL HG22 H 1 1.102 0.02 . 1 . . . . 108 VAL HG2 . 7247 1 1345 . 1 1 108 108 VAL HG23 H 1 1.102 0.02 . 1 . . . . 108 VAL HG2 . 7247 1 1346 . 1 1 108 108 VAL C C 13 177.199 0.1 . 1 . . . . 108 VAL C . 7247 1 1347 . 1 1 108 108 VAL CA C 13 67.414 0.1 . 1 . . . . 108 VAL CA . 7247 1 1348 . 1 1 108 108 VAL CB C 13 31.752 0.1 . 1 . . . . 108 VAL CB . 7247 1 1349 . 1 1 108 108 VAL CG1 C 13 21.123 0.1 . 1 . . . . 108 VAL CG1 . 7247 1 1350 . 1 1 108 108 VAL CG2 C 13 24.003 0.1 . 1 . . . . 108 VAL CG2 . 7247 1 1351 . 1 1 108 108 VAL N N 15 116.934 0.1 . 1 . . . . 108 VAL N . 7247 1 1352 . 1 1 109 109 GLU H H 1 7.515 0.02 . 1 . . . . 109 GLU H . 7247 1 1353 . 1 1 109 109 GLU HA H 1 4.061 0.02 . 1 . . . . 109 GLU HA . 7247 1 1354 . 1 1 109 109 GLU HB2 H 1 2.281 0.02 . 1 . . . . 109 GLU HB2 . 7247 1 1355 . 1 1 109 109 GLU HB3 H 1 2.171 0.02 . 1 . . . . 109 GLU HB3 . 7247 1 1356 . 1 1 109 109 GLU HG2 H 1 2.508 0.02 . 1 . . . . 109 GLU HG2 . 7247 1 1357 . 1 1 109 109 GLU HG3 H 1 2.395 0.02 . 1 . . . . 109 GLU HG3 . 7247 1 1358 . 1 1 109 109 GLU C C 13 179.626 0.1 . 1 . . . . 109 GLU C . 7247 1 1359 . 1 1 109 109 GLU CA C 13 58.77 0.1 . 1 . . . . 109 GLU CA . 7247 1 1360 . 1 1 109 109 GLU CB C 13 29.248 0.1 . 1 . . . . 109 GLU CB . 7247 1 1361 . 1 1 109 109 GLU CG C 13 35.631 0.1 . 1 . . . . 109 GLU CG . 7247 1 1362 . 1 1 109 109 GLU N N 15 116.89 0.1 . 1 . . . . 109 GLU N . 7247 1 1363 . 1 1 110 110 GLU H H 1 8.461 0.02 . 1 . . . . 110 GLU H . 7247 1 1364 . 1 1 110 110 GLU HA H 1 4.082 0.02 . 1 . . . . 110 GLU HA . 7247 1 1365 . 1 1 110 110 GLU HB2 H 1 2.308 0.02 . 1 . . . . 110 GLU HB2 . 7247 1 1366 . 1 1 110 110 GLU HB3 H 1 2.061 0.02 . 1 . . . . 110 GLU HB3 . 7247 1 1367 . 1 1 110 110 GLU HG2 H 1 2.46 0.02 . 1 . . . . 110 GLU HG2 . 7247 1 1368 . 1 1 110 110 GLU HG3 H 1 2.328 0.02 . 1 . . . . 110 GLU HG3 . 7247 1 1369 . 1 1 110 110 GLU C C 13 179.462 0.1 . 1 . . . . 110 GLU C . 7247 1 1370 . 1 1 110 110 GLU CA C 13 59.04 0.1 . 1 . . . . 110 GLU CA . 7247 1 1371 . 1 1 110 110 GLU CB C 13 29.73 0.1 . 1 . . . . 110 GLU CB . 7247 1 1372 . 1 1 110 110 GLU CG C 13 36.359 0.1 . 1 . . . . 110 GLU CG . 7247 1 1373 . 1 1 110 110 GLU N N 15 118.458 0.1 . 1 . . . . 110 GLU N . 7247 1 1374 . 1 1 111 111 ILE H H 1 8.279 0.02 . 1 . . . . 111 ILE H . 7247 1 1375 . 1 1 111 111 ILE HA H 1 4.025 0.02 . 1 . . . . 111 ILE HA . 7247 1 1376 . 1 1 111 111 ILE HB H 1 2.087 0.02 . 1 . . . . 111 ILE HB . 7247 1 1377 . 1 1 111 111 ILE HG12 H 1 1.616 0.02 . 2 . . . . 111 ILE HG12 . 7247 1 1378 . 1 1 111 111 ILE HG21 H 1 0.997 0.02 . 1 . . . . 111 ILE HG2 . 7247 1 1379 . 1 1 111 111 ILE HG22 H 1 0.997 0.02 . 1 . . . . 111 ILE HG2 . 7247 1 1380 . 1 1 111 111 ILE HG23 H 1 0.997 0.02 . 1 . . . . 111 ILE HG2 . 7247 1 1381 . 1 1 111 111 ILE HD11 H 1 0.927 0.02 . 1 . . . . 111 ILE HD1 . 7247 1 1382 . 1 1 111 111 ILE HD12 H 1 0.927 0.02 . 1 . . . . 111 ILE HD1 . 7247 1 1383 . 1 1 111 111 ILE HD13 H 1 0.927 0.02 . 1 . . . . 111 ILE HD1 . 7247 1 1384 . 1 1 111 111 ILE C C 13 177.748 0.1 . 1 . . . . 111 ILE C . 7247 1 1385 . 1 1 111 111 ILE CA C 13 62.939 0.1 . 1 . . . . 111 ILE CA . 7247 1 1386 . 1 1 111 111 ILE CB C 13 37.905 0.1 . 1 . . . . 111 ILE CB . 7247 1 1387 . 1 1 111 111 ILE CG1 C 13 27.368 0.1 . 1 . . . . 111 ILE CG1 . 7247 1 1388 . 1 1 111 111 ILE CG2 C 13 18.947 0.1 . 1 . . . . 111 ILE CG2 . 7247 1 1389 . 1 1 111 111 ILE CD1 C 13 13.124 0.1 . 1 . . . . 111 ILE CD1 . 7247 1 1390 . 1 1 111 111 ILE N N 15 117.133 0.1 . 1 . . . . 111 ILE N . 7247 1 1391 . 1 1 112 112 GLU H H 1 8.129 0.02 . 1 . . . . 112 GLU H . 7247 1 1392 . 1 1 112 112 GLU HA H 1 4.146 0.02 . 1 . . . . 112 GLU HA . 7247 1 1393 . 1 1 112 112 GLU HB2 H 1 2.119 0.02 . 2 . . . . 112 GLU HB2 . 7247 1 1394 . 1 1 112 112 GLU HG2 H 1 2.518 0.02 . 1 . . . . 112 GLU HG2 . 7247 1 1395 . 1 1 112 112 GLU HG3 H 1 2.276 0.02 . 1 . . . . 112 GLU HG3 . 7247 1 1396 . 1 1 112 112 GLU C C 13 177.415 0.1 . 1 . . . . 112 GLU C . 7247 1 1397 . 1 1 112 112 GLU CA C 13 57.862 0.1 . 1 . . . . 112 GLU CA . 7247 1 1398 . 1 1 112 112 GLU CB C 13 29.974 0.1 . 1 . . . . 112 GLU CB . 7247 1 1399 . 1 1 112 112 GLU CG C 13 36.482 0.1 . 1 . . . . 112 GLU CG . 7247 1 1400 . 1 1 112 112 GLU N N 15 118.821 0.1 . 1 . . . . 112 GLU N . 7247 1 1401 . 1 1 113 113 LYS H H 1 7.493 0.02 . 1 . . . . 113 LYS H . 7247 1 1402 . 1 1 113 113 LYS HA H 1 4.17 0.02 . 1 . . . . 113 LYS HA . 7247 1 1403 . 1 1 113 113 LYS HB2 H 1 1.929 0.02 . 2 . . . . 113 LYS HB2 . 7247 1 1404 . 1 1 113 113 LYS HG2 H 1 1.529 0.02 . 2 . . . . 113 LYS HG2 . 7247 1 1405 . 1 1 113 113 LYS HD2 H 1 1.742 0.02 . 2 . . . . 113 LYS HD2 . 7247 1 1406 . 1 1 113 113 LYS HE2 H 1 3 0.02 . 2 . . . . 113 LYS HE2 . 7247 1 1407 . 1 1 113 113 LYS C C 13 177.052 0.1 . 1 . . . . 113 LYS C . 7247 1 1408 . 1 1 113 113 LYS CA C 13 57.529 0.1 . 1 . . . . 113 LYS CA . 7247 1 1409 . 1 1 113 113 LYS CB C 13 32.821 0.1 . 1 . . . . 113 LYS CB . 7247 1 1410 . 1 1 113 113 LYS CG C 13 25.033 0.1 . 1 . . . . 113 LYS CG . 7247 1 1411 . 1 1 113 113 LYS CD C 13 29.268 0.1 . 1 . . . . 113 LYS CD . 7247 1 1412 . 1 1 113 113 LYS CE C 13 42.151 0.1 . 1 . . . . 113 LYS CE . 7247 1 1413 . 1 1 113 113 LYS N N 15 119.275 0.1 . 1 . . . . 113 LYS N . 7247 1 1414 . 1 1 114 114 LYS H H 1 8.206 0.02 . 1 . . . . 114 LYS H . 7247 1 1415 . 1 1 114 114 LYS HA H 1 4.428 0.02 . 1 . . . . 114 LYS HA . 7247 1 1416 . 1 1 114 114 LYS HB2 H 1 1.948 0.02 . 2 . . . . 114 LYS HB2 . 7247 1 1417 . 1 1 114 114 LYS HG2 H 1 1.691 0.02 . 1 . . . . 114 LYS HG2 . 7247 1 1418 . 1 1 114 114 LYS HG3 H 1 1.513 0.02 . 1 . . . . 114 LYS HG3 . 7247 1 1419 . 1 1 114 114 LYS HD2 H 1 1.811 0.02 . 2 . . . . 114 LYS HD2 . 7247 1 1420 . 1 1 114 114 LYS HE2 H 1 3.02 0.02 . 2 . . . . 114 LYS HE2 . 7247 1 1421 . 1 1 114 114 LYS C C 13 175.413 0.1 . 1 . . . . 114 LYS C . 7247 1 1422 . 1 1 114 114 LYS CA C 13 55.733 0.1 . 1 . . . . 114 LYS CA . 7247 1 1423 . 1 1 114 114 LYS CB C 13 32.9 0.1 . 1 . . . . 114 LYS CB . 7247 1 1424 . 1 1 114 114 LYS CG C 13 24.66 0.1 . 1 . . . . 114 LYS CG . 7247 1 1425 . 1 1 114 114 LYS CD C 13 28.735 0.1 . 1 . . . . 114 LYS CD . 7247 1 1426 . 1 1 114 114 LYS CE C 13 42.2 0.1 . 1 . . . . 114 LYS CE . 7247 1 1427 . 1 1 114 114 LYS N N 15 122.026 0.1 . 1 . . . . 114 LYS N . 7247 1 1428 . 1 1 115 115 ASN H H 1 7.886 0.02 . 1 . . . . 115 ASN H . 7247 1 1429 . 1 1 115 115 ASN HA H 1 4.496 0.02 . 1 . . . . 115 ASN HA . 7247 1 1430 . 1 1 115 115 ASN HD21 H 1 6.83 0.02 . 1 . . . . 115 ASN HD21 . 7247 1 1431 . 1 1 115 115 ASN HD22 H 1 7.561 0.02 . 1 . . . . 115 ASN HD22 . 7247 1 1432 . 1 1 115 115 ASN CA C 13 54.774 0.1 . 1 . . . . 115 ASN CA . 7247 1 1433 . 1 1 115 115 ASN CB C 13 40.574 0.1 . 1 . . . . 115 ASN CB . 7247 1 1434 . 1 1 115 115 ASN N N 15 124.645 0.1 . 1 . . . . 115 ASN N . 7247 1 1435 . 1 1 115 115 ASN ND2 N 15 112.569 0.1 . 1 . . . . 115 ASN ND2 . 7247 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 7247 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 750 _Coupling_constant_list.Details 'Tempature:298 K' _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 7 HNHA 1 $DFsc isotropic 7247 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 GLU H H 1 . . 1 1 3 3 GLU HA H 1 . 4.35 . . 0.5 . . . . . . . . . . . 7247 1 2 3JHNHA . 1 1 4 4 LEU H H 1 . . 1 1 4 4 LEU HA H 1 . 5.67 . . 0.5 . . . . . . . . . . . 7247 1 3 3JHNHA . 1 1 5 5 ARG H H 1 . . 1 1 5 5 ARG HA H 1 . 3.34 . . 0.5 . . . . . . . . . . . 7247 1 4 3JHNHA . 1 1 6 6 GLU H H 1 . . 1 1 6 6 GLU HA H 1 . 4.81 . . 0.5 . . . . . . . . . . . 7247 1 5 3JHNHA . 1 1 7 7 LEU H H 1 . . 1 1 7 7 LEU HA H 1 . 4.85 . . 0.5 . . . . . . . . . . . 7247 1 6 3JHNHA . 1 1 8 8 LEU H H 1 . . 1 1 8 8 LEU HA H 1 . 3.60 . . 0.5 . . . . . . . . . . . 7247 1 7 3JHNHA . 1 1 9 9 LYS H H 1 . . 1 1 9 9 LYS HA H 1 . 3.35 . . 0.5 . . . . . . . . . . . 7247 1 8 3JHNHA . 1 1 10 10 ALA H H 1 . . 1 1 10 10 ALA HA H 1 . 3.98 . . 0.5 . . . . . . . . . . . 7247 1 9 3JHNHA . 1 1 11 11 GLU H H 1 . . 1 1 11 11 GLU HA H 1 . 4.36 . . 0.5 . . . . . . . . . . . 7247 1 10 3JHNHA . 1 1 12 12 GLN H H 1 . . 1 1 12 12 GLN HA H 1 . 3.78 . . 0.5 . . . . . . . . . . . 7247 1 11 3JHNHA . 1 1 13 13 GLN H H 1 . . 1 1 13 13 GLN HA H 1 . 4.48 . . 0.5 . . . . . . . . . . . 7247 1 12 3JHNHA . 1 1 14 14 ALA H H 1 . . 1 1 14 14 ALA HA H 1 . 3.53 . . 0.5 . . . . . . . . . . . 7247 1 13 3JHNHA . 1 1 15 15 ILE H H 1 . . 1 1 15 15 ILE HA H 1 . 3.03 . . 0.5 . . . . . . . . . . . 7247 1 14 3JHNHA . 1 1 16 16 LYS H H 1 . . 1 1 16 16 LYS HA H 1 . 2.91 . . 0.5 . . . . . . . . . . . 7247 1 15 3JHNHA . 1 1 17 17 ILE H H 1 . . 1 1 17 17 ILE HA H 1 . 5.03 . . 0.5 . . . . . . . . . . . 7247 1 16 3JHNHA . 1 1 18 18 TYR H H 1 . . 1 1 18 18 TYR HA H 1 . 3.24 . . 0.5 . . . . . . . . . . . 7247 1 17 3JHNHA . 1 1 19 19 LYS H H 1 . . 1 1 19 19 LYS HA H 1 . 3.78 . . 0.5 . . . . . . . . . . . 7247 1 18 3JHNHA . 1 1 20 20 GLU H H 1 . . 1 1 20 20 GLU HA H 1 . 4.83 . . 0.5 . . . . . . . . . . . 7247 1 19 3JHNHA . 1 1 21 21 VAL H H 1 . . 1 1 21 21 VAL HA H 1 . 4.05 . . 0.5 . . . . . . . . . . . 7247 1 20 3JHNHA . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU HA H 1 . 4.26 . . 0.5 . . . . . . . . . . . 7247 1 21 3JHNHA . 1 1 23 23 LYS H H 1 . . 1 1 23 23 LYS HA H 1 . 4.37 . . 0.5 . . . . . . . . . . . 7247 1 22 3JHNHA . 1 1 24 24 LYS H H 1 . . 1 1 24 24 LYS HA H 1 . 4.88 . . 0.5 . . . . . . . . . . . 7247 1 23 3JHNHA . 1 1 25 25 ALA H H 1 . . 1 1 25 25 ALA HA H 1 . 3.62 . . 0.5 . . . . . . . . . . . 7247 1 24 3JHNHA . 1 1 26 26 LYS H H 1 . . 1 1 26 26 LYS HA H 1 . 4.72 . . 0.5 . . . . . . . . . . . 7247 1 25 3JHNHA . 1 1 27 27 GLU H H 1 . . 1 1 27 27 GLU HA H 1 . 5.98 . . 0.5 . . . . . . . . . . . 7247 1 26 3JHNHA . 1 1 28 28 GLY H H 1 . . 1 1 28 28 GLY HA H 1 . 5.92 . . 0.5 . . . . . . . . . . . 7247 1 27 3JHNHA . 1 1 29 29 ASP H H 1 . . 1 1 29 29 ASP HA H 1 . 6.84 . . 0.5 . . . . . . . . . . . 7247 1 28 3JHNHA . 1 1 30 30 GLU H H 1 . . 1 1 30 30 GLU HA H 1 . 3.62 . . 0.5 . . . . . . . . . . . 7247 1 29 3JHNHA . 1 1 31 31 GLN H H 1 . . 1 1 31 31 GLN HA H 1 . 5.56 . . 0.5 . . . . . . . . . . . 7247 1 30 3JHNHA . 1 1 32 32 GLU H H 1 . . 1 1 32 32 GLU HA H 1 . 5.74 . . 0.5 . . . . . . . . . . . 7247 1 31 3JHNHA . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU HA H 1 . 2.50 . . 0.5 . . . . . . . . . . . 7247 1 32 3JHNHA . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA HA H 1 . 3.04 . . 0.5 . . . . . . . . . . . 7247 1 33 3JHNHA . 1 1 35 35 ARG H H 1 . . 1 1 35 35 ARG HA H 1 . 3.87 . . 0.5 . . . . . . . . . . . 7247 1 34 3JHNHA . 1 1 36 36 LEU H H 1 . . 1 1 36 36 LEU HA H 1 . 4.32 . . 0.5 . . . . . . . . . . . 7247 1 35 3JHNHA . 1 1 37 37 ILE H H 1 . . 1 1 37 37 ILE HA H 1 . 3.51 . . 0.5 . . . . . . . . . . . 7247 1 36 3JHNHA . 1 1 38 38 GLN H H 1 . . 1 1 38 38 GLN HA H 1 . 4.08 . . 0.5 . . . . . . . . . . . 7247 1 37 3JHNHA . 1 1 39 39 GLU H H 1 . . 1 1 39 39 GLU HA H 1 . 4.46 . . 0.5 . . . . . . . . . . . 7247 1 38 3JHNHA . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE HA H 1 . 4.32 . . 0.5 . . . . . . . . . . . 7247 1 39 3JHNHA . 1 1 41 41 VAL H H 1 . . 1 1 41 41 VAL HA H 1 . 3.33 . . 0.5 . . . . . . . . . . . 7247 1 40 3JHNHA . 1 1 43 43 ALA H H 1 . . 1 1 43 43 ALA HA H 1 . 4.11 . . 0.5 . . . . . . . . . . . 7247 1 41 3JHNHA . 1 1 44 44 GLU H H 1 . . 1 1 44 44 GLU HA H 1 . 4.40 . . 0.5 . . . . . . . . . . . 7247 1 42 3JHNHA . 1 1 45 45 LYS H H 1 . . 1 1 45 45 LYS HA H 1 . 3.95 . . 0.5 . . . . . . . . . . . 7247 1 43 3JHNHA . 1 1 46 46 GLN H H 1 . . 1 1 46 46 GLN HA H 1 . 4.48 . . 0.5 . . . . . . . . . . . 7247 1 44 3JHNHA . 1 1 47 47 ALA H H 1 . . 1 1 47 47 ALA HA H 1 . 3.72 . . 0.5 . . . . . . . . . . . 7247 1 45 3JHNHA . 1 1 48 48 VAL H H 1 . . 1 1 48 48 VAL HA H 1 . 3.02 . . 0.5 . . . . . . . . . . . 7247 1 46 3JHNHA . 1 1 49 49 LYS H H 1 . . 1 1 49 49 LYS HA H 1 . 2.94 . . 0.5 . . . . . . . . . . . 7247 1 47 3JHNHA . 1 1 50 50 VAL H H 1 . . 1 1 50 50 VAL HA H 1 . 5.00 . . 0.5 . . . . . . . . . . . 7247 1 48 3JHNHA . 1 1 52 52 LYS H H 1 . . 1 1 52 52 LYS HA H 1 . 3.79 . . 0.5 . . . . . . . . . . . 7247 1 49 3JHNHA . 1 1 53 53 GLU H H 1 . . 1 1 53 53 GLU HA H 1 . 4.31 . . 0.5 . . . . . . . . . . . 7247 1 50 3JHNHA . 1 1 54 54 ALA H H 1 . . 1 1 54 54 ALA HA H 1 . 3.56 . . 0.5 . . . . . . . . . . . 7247 1 51 3JHNHA . 1 1 55 55 ALA H H 1 . . 1 1 55 55 ALA HA H 1 . 3.35 . . 0.5 . . . . . . . . . . . 7247 1 52 3JHNHA . 1 1 56 56 GLU H H 1 . . 1 1 56 56 GLU HA H 1 . 4.78 . . 0.5 . . . . . . . . . . . 7247 1 53 3JHNHA . 1 1 57 57 LYS H H 1 . . 1 1 57 57 LYS HA H 1 . 7.29 . . 0.5 . . . . . . . . . . . 7247 1 54 3JHNHA . 1 1 58 58 ALA H H 1 . . 1 1 58 58 ALA HA H 1 . 3.65 . . 0.5 . . . . . . . . . . . 7247 1 55 3JHNHA . 1 1 59 59 ARG H H 1 . . 1 1 59 59 ARG HA H 1 . 6.89 . . 0.5 . . . . . . . . . . . 7247 1 56 3JHNHA . 1 1 60 60 ASN H H 1 . . 1 1 60 60 ASN HA H 1 . 5.95 . . 0.5 . . . . . . . . . . . 7247 1 57 3JHNHA . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU HA H 1 . 4.90 . . 0.5 . . . . . . . . . . . 7247 1 58 3JHNHA . 1 1 63 63 LYS H H 1 . . 1 1 63 63 LYS HA H 1 . 5.88 . . 0.5 . . . . . . . . . . . 7247 1 59 3JHNHA . 1 1 64 64 ARG H H 1 . . 1 1 64 64 ARG HA H 1 . 2.94 . . 0.5 . . . . . . . . . . . 7247 1 60 3JHNHA . 1 1 65 65 GLN H H 1 . . 1 1 65 65 GLN HA H 1 . 3.40 . . 0.5 . . . . . . . . . . . 7247 1 61 3JHNHA . 1 1 66 66 VAL H H 1 . . 1 1 66 66 VAL HA H 1 . 4.24 . . 0.5 . . . . . . . . . . . 7247 1 62 3JHNHA . 1 1 67 67 ILE H H 1 . . 1 1 67 67 ILE HA H 1 . 4.14 . . 0.5 . . . . . . . . . . . 7247 1 63 3JHNHA . 1 1 68 68 ASP H H 1 . . 1 1 68 68 ASP HA H 1 . 2.93 . . 0.5 . . . . . . . . . . . 7247 1 64 3JHNHA . 1 1 69 69 LYS H H 1 . . 1 1 69 69 LYS HA H 1 . 4.22 . . 0.5 . . . . . . . . . . . 7247 1 65 3JHNHA . 1 1 70 70 ILE H H 1 . . 1 1 70 70 ILE HA H 1 . 3.26 . . 0.5 . . . . . . . . . . . 7247 1 66 3JHNHA . 1 1 71 71 LEU H H 1 . . 1 1 71 71 LEU HA H 1 . 2.73 . . 0.5 . . . . . . . . . . . 7247 1 67 3JHNHA . 1 1 72 72 GLU H H 1 . . 1 1 72 72 GLU HA H 1 . 3.53 . . 0.5 . . . . . . . . . . . 7247 1 68 3JHNHA . 1 1 73 73 ASP H H 1 . . 1 1 73 73 ASP HA H 1 . 4.08 . . 0.5 . . . . . . . . . . . 7247 1 69 3JHNHA . 1 1 74 74 GLU H H 1 . . 1 1 74 74 GLU HA H 1 . 4.17 . . 0.5 . . . . . . . . . . . 7247 1 70 3JHNHA . 1 1 75 75 GLU H H 1 . . 1 1 75 75 GLU HA H 1 . 3.87 . . 0.5 . . . . . . . . . . . 7247 1 71 3JHNHA . 1 1 76 76 LYS H H 1 . . 1 1 76 76 LYS HA H 1 . 2.80 . . 0.5 . . . . . . . . . . . 7247 1 72 3JHNHA . 1 1 77 77 HIS H H 1 . . 1 1 77 77 HIS HA H 1 . 2.65 . . 0.5 . . . . . . . . . . . 7247 1 73 3JHNHA . 1 1 78 78 ILE H H 1 . . 1 1 78 78 ILE HA H 1 . 3.40 . . 0.5 . . . . . . . . . . . 7247 1 74 3JHNHA . 1 1 79 79 GLU H H 1 . . 1 1 79 79 GLU HA H 1 . 4.06 . . 0.5 . . . . . . . . . . . 7247 1 75 3JHNHA . 1 1 80 80 TRP H H 1 . . 1 1 80 80 TRP HA H 1 . 3.42 . . 0.5 . . . . . . . . . . . 7247 1 76 3JHNHA . 1 1 81 81 LEU H H 1 . . 1 1 81 81 LEU HA H 1 . 4.12 . . 0.5 . . . . . . . . . . . 7247 1 77 3JHNHA . 1 1 82 82 LYS H H 1 . . 1 1 82 82 LYS HA H 1 . 3.78 . . 0.5 . . . . . . . . . . . 7247 1 78 3JHNHA . 1 1 83 83 ALA H H 1 . . 1 1 83 83 ALA HA H 1 . 4.22 . . 0.5 . . . . . . . . . . . 7247 1 79 3JHNHA . 1 1 84 84 ALA H H 1 . . 1 1 84 84 ALA HA H 1 . 3.77 . . 0.5 . . . . . . . . . . . 7247 1 80 3JHNHA . 1 1 85 85 SER H H 1 . . 1 1 85 85 SER HA H 1 . 3.97 . . 0.5 . . . . . . . . . . . 7247 1 81 3JHNHA . 1 1 86 86 LYS H H 1 . . 1 1 86 86 LYS HA H 1 . 5.68 . . 0.5 . . . . . . . . . . . 7247 1 82 3JHNHA . 1 1 88 88 GLY H H 1 . . 1 1 88 88 GLY HA H 1 . 6.11 . . 0.5 . . . . . . . . . . . 7247 1 83 3JHNHA . 1 1 89 89 ASN H H 1 . . 1 1 89 89 ASN HA H 1 . 7.04 . . 0.5 . . . . . . . . . . . 7247 1 84 3JHNHA . 1 1 90 90 ALA H H 1 . . 1 1 90 90 ALA HA H 1 . 3.26 . . 0.5 . . . . . . . . . . . 7247 1 85 3JHNHA . 1 1 91 91 GLU H H 1 . . 1 1 91 91 GLU HA H 1 . 4.65 . . 0.5 . . . . . . . . . . . 7247 1 86 3JHNHA . 1 1 93 93 PHE H H 1 . . 1 1 93 93 PHE HA H 1 . 3.72 . . 0.5 . . . . . . . . . . . 7247 1 87 3JHNHA . 1 1 94 94 ALA H H 1 . . 1 1 94 94 ALA HA H 1 . 3.18 . . 0.5 . . . . . . . . . . . 7247 1 88 3JHNHA . 1 1 95 95 SER H H 1 . . 1 1 95 95 SER HA H 1 . 4.00 . . 0.5 . . . . . . . . . . . 7247 1 89 3JHNHA . 1 1 96 96 LEU H H 1 . . 1 1 96 96 LEU HA H 1 . 3.91 . . 0.5 . . . . . . . . . . . 7247 1 90 3JHNHA . 1 1 97 97 VAL H H 1 . . 1 1 97 97 VAL HA H 1 . 3.48 . . 0.5 . . . . . . . . . . . 7247 1 91 3JHNHA . 1 1 98 98 GLN H H 1 . . 1 1 98 98 GLN HA H 1 . 3.44 . . 0.5 . . . . . . . . . . . 7247 1 92 3JHNHA . 1 1 99 99 GLN H H 1 . . 1 1 99 99 GLN HA H 1 . 4.54 . . 0.5 . . . . . . . . . . . 7247 1 93 3JHNHA . 1 1 100 100 ILE H H 1 . . 1 1 100 100 ILE HA H 1 . 3.52 . . 0.5 . . . . . . . . . . . 7247 1 94 3JHNHA . 1 1 101 101 LEU H H 1 . . 1 1 101 101 LEU HA H 1 . 3.03 . . 0.5 . . . . . . . . . . . 7247 1 95 3JHNHA . 1 1 102 102 GLN H H 1 . . 1 1 102 102 GLN HA H 1 . 4.20 . . 0.5 . . . . . . . . . . . 7247 1 96 3JHNHA . 1 1 103 103 ASP H H 1 . . 1 1 103 103 ASP HA H 1 . 3.95 . . 0.5 . . . . . . . . . . . 7247 1 97 3JHNHA . 1 1 104 104 GLU H H 1 . . 1 1 104 104 GLU HA H 1 . 3.86 . . 0.5 . . . . . . . . . . . 7247 1 98 3JHNHA . 1 1 105 105 GLN H H 1 . . 1 1 105 105 GLN HA H 1 . 4.41 . . 0.5 . . . . . . . . . . . 7247 1 99 3JHNHA . 1 1 106 106 ARG H H 1 . . 1 1 106 106 ARG HA H 1 . 5.15 . . 0.5 . . . . . . . . . . . 7247 1 100 3JHNHA . 1 1 107 107 HIS H H 1 . . 1 1 107 107 HIS HA H 1 . 2.83 . . 0.5 . . . . . . . . . . . 7247 1 101 3JHNHA . 1 1 108 108 VAL H H 1 . . 1 1 108 108 VAL HA H 1 . 2.58 . . 0.5 . . . . . . . . . . . 7247 1 102 3JHNHA . 1 1 110 110 GLU H H 1 . . 1 1 110 110 GLU HA H 1 . 4.54 . . 0.5 . . . . . . . . . . . 7247 1 103 3JHNHA . 1 1 111 111 ILE H H 1 . . 1 1 111 111 ILE HA H 1 . 5.29 . . 0.5 . . . . . . . . . . . 7247 1 104 3JHNHA . 1 1 112 112 GLU H H 1 . . 1 1 112 112 GLU HA H 1 . 4.93 . . 0.5 . . . . . . . . . . . 7247 1 105 3JHNHA . 1 1 113 113 LYS H H 1 . . 1 1 113 113 LYS HA H 1 . 4.16 . . 0.5 . . . . . . . . . . . 7247 1 106 3JHNHA . 1 1 114 114 LYS H H 1 . . 1 1 114 114 LYS HA H 1 . 7.58 . . 0.5 . . . . . . . . . . . 7247 1 107 3JHNHA . 1 1 115 115 ASN H H 1 . . 1 1 115 115 ASN HA H 1 . 7.33 . . 0.5 . . . . . . . . . . . 7247 1 stop_ save_