data_18260 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18260 _Entry.Title ; 1H, 13C and 15N resonance assignment of chicken brain alpha spectrin repeat 17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-14 _Entry.Accession_date 2012-02-14 _Entry.Last_release_date 2016-06-23 _Entry.Original_release_date 2016-06-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Backbone and aliphatic side chain assignment of R17 obtained by standard 3D experiments combined with 2D amino acid edited HSQC, CC(CO)NH and H(CCCO)NH ; _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.ORCID _Entry_author.Entry_ID 1 Annette Brenner . K. . . 18260 2 Arnt Raae . J. . . 18260 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18260 coupling_constants 1 18260 heteronucl_NOEs 1 18260 heteronucl_T1_relaxation 1 18260 heteronucl_T2_relaxation 1 18260 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 18260 '15N chemical shifts' 122 18260 '1H chemical shifts' 770 18260 'T1 relaxation values' 97 18260 'T2 relaxation values' 97 18260 'coupling constants' 94 18260 'heteronuclear NOE values' 94 18260 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-12 2012-02-14 update BMRB 'update entry citation' 18260 1 . . 2012-05-22 2012-02-14 original author 'original release' 18260 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1CUN 'chicken brain alpha spectrin repeats 16 and 17' 18260 PDB 1U4Q 'chicken brain alpha spectrin repeats 15, 16 and 17' 18260 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18260 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22569754 _Citation.Full_citation . _Citation.Title ; Thermal stability of chicken brain -spectrin repeat 17: a spectroscopic study. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 53 _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 71 _Citation.Page_last 83 _Citation.Year 2012 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Annette Brenner . K. . . 18260 1 2 Bruno Kieffer . . . . 18260 1 3 Gilles Trave . . . . 18260 1 4 'Nils Age' Frystein . . . . 18260 1 5 Arnt Raae . J. . . 18260 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID conformation 18260 1 dynamics 18260 1 'spectrin repeat' 18260 1 stability 18260 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18260 _Assembly.ID 1 _Assembly.Name R17 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13300 _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 R17 1 $R17 A . yes native no no . . . 18260 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1CUN . . X-ray 1.45 'R17 is one half of that structure' . 18260 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'structural protein' 18260 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_R17 _Entity.Sf_category entity _Entity.Sf_framecode R17 _Entity.Entry_ID 18260 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name R17 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MARGQRLEESLEYQQFVANV EEEEAWINEKMTLVASEDYG DTLAAIQGLLKKHEAFETDF TVHKDRVNDVCANGEDLIKK NNHHVENITAKMKGLKGKVS DLEKAAAQRKAKLDENSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Thew first residue is a remain of the TEV cleavage site' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P07751 . 'Spectrin alpha chain, brain' . . . . . . . . . . . . . . 18260 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'structural protein, part of the cytoskeleton' 18260 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 . 18260 1 2 . ALA . 18260 1 3 . ARG . 18260 1 4 . GLY . 18260 1 5 . GLN . 18260 1 6 . ARG . 18260 1 7 . LEU . 18260 1 8 . GLU . 18260 1 9 . GLU . 18260 1 10 . SER . 18260 1 11 . LEU . 18260 1 12 . GLU . 18260 1 13 . TYR . 18260 1 14 . GLN . 18260 1 15 . GLN . 18260 1 16 . PHE . 18260 1 17 . VAL . 18260 1 18 . ALA . 18260 1 19 . ASN . 18260 1 20 . VAL . 18260 1 21 . GLU . 18260 1 22 . GLU . 18260 1 23 . GLU . 18260 1 24 . GLU . 18260 1 25 . ALA . 18260 1 26 . TRP . 18260 1 27 . ILE . 18260 1 28 . ASN . 18260 1 29 . GLU . 18260 1 30 . LYS . 18260 1 31 . MET . 18260 1 32 . THR . 18260 1 33 . LEU . 18260 1 34 . VAL . 18260 1 35 . ALA . 18260 1 36 . SER . 18260 1 37 . GLU . 18260 1 38 . ASP . 18260 1 39 . TYR . 18260 1 40 . GLY . 18260 1 41 . ASP . 18260 1 42 . THR . 18260 1 43 . LEU . 18260 1 44 . ALA . 18260 1 45 . ALA . 18260 1 46 . ILE . 18260 1 47 . GLN . 18260 1 48 . GLY . 18260 1 49 . LEU . 18260 1 50 . LEU . 18260 1 51 . LYS . 18260 1 52 . LYS . 18260 1 53 . HIS . 18260 1 54 . GLU . 18260 1 55 . ALA . 18260 1 56 . PHE . 18260 1 57 . GLU . 18260 1 58 . THR . 18260 1 59 . ASP . 18260 1 60 . PHE . 18260 1 61 . THR . 18260 1 62 . VAL . 18260 1 63 . HIS . 18260 1 64 . LYS . 18260 1 65 . ASP . 18260 1 66 . ARG . 18260 1 67 . VAL . 18260 1 68 . ASN . 18260 1 69 . ASP . 18260 1 70 . VAL . 18260 1 71 . CYS . 18260 1 72 . ALA . 18260 1 73 . ASN . 18260 1 74 . GLY . 18260 1 75 . GLU . 18260 1 76 . ASP . 18260 1 77 . LEU . 18260 1 78 . ILE . 18260 1 79 . LYS . 18260 1 80 . LYS . 18260 1 81 . ASN . 18260 1 82 . ASN . 18260 1 83 . HIS . 18260 1 84 . HIS . 18260 1 85 . VAL . 18260 1 86 . GLU . 18260 1 87 . ASN . 18260 1 88 . ILE . 18260 1 89 . THR . 18260 1 90 . ALA . 18260 1 91 . LYS . 18260 1 92 . MET . 18260 1 93 . LYS . 18260 1 94 . GLY . 18260 1 95 . LEU . 18260 1 96 . LYS . 18260 1 97 . GLY . 18260 1 98 . LYS . 18260 1 99 . VAL . 18260 1 100 . SER . 18260 1 101 . ASP . 18260 1 102 . LEU . 18260 1 103 . GLU . 18260 1 104 . LYS . 18260 1 105 . ALA . 18260 1 106 . ALA . 18260 1 107 . ALA . 18260 1 108 . GLN . 18260 1 109 . ARG . 18260 1 110 . LYS . 18260 1 111 . ALA . 18260 1 112 . LYS . 18260 1 113 . LEU . 18260 1 114 . ASP . 18260 1 115 . GLU . 18260 1 116 . ASN . 18260 1 117 . SER . 18260 1 118 . ALA . 18260 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 18260 1 . ALA 2 2 18260 1 . ARG 3 3 18260 1 . GLY 4 4 18260 1 . GLN 5 5 18260 1 . ARG 6 6 18260 1 . LEU 7 7 18260 1 . GLU 8 8 18260 1 . GLU 9 9 18260 1 . SER 10 10 18260 1 . LEU 11 11 18260 1 . GLU 12 12 18260 1 . TYR 13 13 18260 1 . GLN 14 14 18260 1 . GLN 15 15 18260 1 . PHE 16 16 18260 1 . VAL 17 17 18260 1 . ALA 18 18 18260 1 . ASN 19 19 18260 1 . VAL 20 20 18260 1 . GLU 21 21 18260 1 . GLU 22 22 18260 1 . GLU 23 23 18260 1 . GLU 24 24 18260 1 . ALA 25 25 18260 1 . TRP 26 26 18260 1 . ILE 27 27 18260 1 . ASN 28 28 18260 1 . GLU 29 29 18260 1 . LYS 30 30 18260 1 . MET 31 31 18260 1 . THR 32 32 18260 1 . LEU 33 33 18260 1 . VAL 34 34 18260 1 . ALA 35 35 18260 1 . SER 36 36 18260 1 . GLU 37 37 18260 1 . ASP 38 38 18260 1 . TYR 39 39 18260 1 . GLY 40 40 18260 1 . ASP 41 41 18260 1 . THR 42 42 18260 1 . LEU 43 43 18260 1 . ALA 44 44 18260 1 . ALA 45 45 18260 1 . ILE 46 46 18260 1 . GLN 47 47 18260 1 . GLY 48 48 18260 1 . LEU 49 49 18260 1 . LEU 50 50 18260 1 . LYS 51 51 18260 1 . LYS 52 52 18260 1 . HIS 53 53 18260 1 . GLU 54 54 18260 1 . ALA 55 55 18260 1 . PHE 56 56 18260 1 . GLU 57 57 18260 1 . THR 58 58 18260 1 . ASP 59 59 18260 1 . PHE 60 60 18260 1 . THR 61 61 18260 1 . VAL 62 62 18260 1 . HIS 63 63 18260 1 . LYS 64 64 18260 1 . ASP 65 65 18260 1 . ARG 66 66 18260 1 . VAL 67 67 18260 1 . ASN 68 68 18260 1 . ASP 69 69 18260 1 . VAL 70 70 18260 1 . CYS 71 71 18260 1 . ALA 72 72 18260 1 . ASN 73 73 18260 1 . GLY 74 74 18260 1 . GLU 75 75 18260 1 . ASP 76 76 18260 1 . LEU 77 77 18260 1 . ILE 78 78 18260 1 . LYS 79 79 18260 1 . LYS 80 80 18260 1 . ASN 81 81 18260 1 . ASN 82 82 18260 1 . HIS 83 83 18260 1 . HIS 84 84 18260 1 . VAL 85 85 18260 1 . GLU 86 86 18260 1 . ASN 87 87 18260 1 . ILE 88 88 18260 1 . THR 89 89 18260 1 . ALA 90 90 18260 1 . LYS 91 91 18260 1 . MET 92 92 18260 1 . LYS 93 93 18260 1 . GLY 94 94 18260 1 . LEU 95 95 18260 1 . LYS 96 96 18260 1 . GLY 97 97 18260 1 . LYS 98 98 18260 1 . VAL 99 99 18260 1 . SER 100 100 18260 1 . ASP 101 101 18260 1 . LEU 102 102 18260 1 . GLU 103 103 18260 1 . LYS 104 104 18260 1 . ALA 105 105 18260 1 . ALA 106 106 18260 1 . ALA 107 107 18260 1 . GLN 108 108 18260 1 . ARG 109 109 18260 1 . LYS 110 110 18260 1 . ALA 111 111 18260 1 . LYS 112 112 18260 1 . LEU 113 113 18260 1 . ASP 114 114 18260 1 . GLU 115 115 18260 1 . ASN 116 116 18260 1 . SER 117 117 18260 1 . ALA 118 118 18260 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18260 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $R17 . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . 18260 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 18260 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $R17 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star (DE3)' . . . . . pETM-12 . . . 18260 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18260 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 R17 '[U-98% 13C; U-98% 15N]' . . 1 $R17 . . 0.2 . . mM 0.02 . . . 18260 1 2 'sodium chloride' 'natural abundance' . . . . . . 0.1 . . mM . . . . 18260 1 3 DTT 'natural abundance' . . . . . . 0.05 . . mM . . . . 18260 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18260 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18260 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18260 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18260 1 pH 6.8 . pH 18260 1 pressure 1 . atm 18260 1 temperature 298 1 K 18260 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18260 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18260 1 'Keller and Wuthrich' . . 18260 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18260 1 'peak picking' 18260 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18260 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18260 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18260 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18260 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18260 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18260 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18260 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18260 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18260 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18260 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18260 1 2 '3D CBCA(CO)NH' . . . 18260 1 3 '3D C(CO)NH' . . . 18260 1 4 '3D HNCO' . . . 18260 1 5 '3D HNCA' . . . 18260 1 6 '3D HNCACB' . . . 18260 1 7 '3D HBHA(CO)NH' . . . 18260 1 9 '3D H(CCO)NH' . . . 18260 1 10 '3D 1H-15N NOESY' . . . 18260 1 11 '3D 1H-13C NOESY' . . . 18260 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.500 0.020 . 1 . . . . 1 Met HA . 18260 1 2 . 1 1 1 1 MET HB2 H 1 2.103 0.020 . 1 . . . . 1 Met HB2 . 18260 1 3 . 1 1 1 1 MET HB3 H 1 2.103 0.020 . 1 . . . . 1 Met HB3 . 18260 1 4 . 1 1 1 1 MET HG2 H 1 2.597 0.020 . 1 . . . . 1 Met HG2 . 18260 1 5 . 1 1 1 1 MET HG3 H 1 2.597 0.020 . 1 . . . . 1 Met HG3 . 18260 1 6 . 1 1 1 1 MET HE1 H 1 2.117 0.020 . 1 . . . . 1 Met HE1 . 18260 1 7 . 1 1 1 1 MET HE2 H 1 2.117 0.020 . 1 . . . . 1 Met HE2 . 18260 1 8 . 1 1 1 1 MET HE3 H 1 2.117 0.020 . 1 . . . . 1 Met HE3 . 18260 1 9 . 1 1 1 1 MET C C 13 175.951 0.300 . 1 . . . . 1 Met C . 18260 1 10 . 1 1 1 1 MET CA C 13 55.429 0.300 . 1 . . . . 1 Met CA . 18260 1 11 . 1 1 1 1 MET CB C 13 32.861 0.300 . 1 . . . . 1 Met CB . 18260 1 12 . 1 1 1 1 MET CG C 13 32.484 0.300 . 1 . . . . 1 Met CG . 18260 1 13 . 1 1 1 1 MET CE C 13 17.054 0.300 . 1 . . . . 1 Met CE . 18260 1 14 . 1 1 2 2 ALA H H 1 8.400 0.020 . 1 . . . . 2 Ala H . 18260 1 15 . 1 1 2 2 ALA HA H 1 4.349 0.020 . 1 . . . . 2 Ala HA . 18260 1 16 . 1 1 2 2 ALA HB1 H 1 1.424 0.020 . 1 . . . . 2 Ala HB1 . 18260 1 17 . 1 1 2 2 ALA HB2 H 1 1.424 0.020 . 1 . . . . 2 Ala HB2 . 18260 1 18 . 1 1 2 2 ALA HB3 H 1 1.424 0.020 . 1 . . . . 2 Ala HB3 . 18260 1 19 . 1 1 2 2 ALA C C 13 177.69 0.300 . 1 . . . . 2 Ala C . 18260 1 20 . 1 1 2 2 ALA CA C 13 52.212 0.300 . 1 . . . . 2 Ala CA . 18260 1 21 . 1 1 2 2 ALA CB C 13 19.071 0.300 . 1 . . . . 2 Ala CB . 18260 1 22 . 1 1 2 2 ALA N N 15 126.011 0.100 . 1 . . . . 2 Ala N . 18260 1 23 . 1 1 3 3 ARG H H 1 8.436 0.020 . 1 . . . . 3 Arg H . 18260 1 24 . 1 1 3 3 ARG HA H 1 4.355 0.020 . 1 . . . . 3 Arg HA . 18260 1 25 . 1 1 3 3 ARG HB2 H 1 1.935 0.020 . 1 . . . . 3 Arg HB2 . 18260 1 26 . 1 1 3 3 ARG HB3 H 1 1.935 0.020 . 1 . . . . 3 Arg HB3 . 18260 1 27 . 1 1 3 3 ARG HG2 H 1 1.688 0.020 . 1 . . . . 3 Arg HG2 . 18260 1 28 . 1 1 3 3 ARG HG3 H 1 1.688 0.020 . 1 . . . . 3 Arg HG3 . 18260 1 29 . 1 1 3 3 ARG HD2 H 1 3.261 0.020 . 1 . . . . 3 Arg HD2 . 18260 1 30 . 1 1 3 3 ARG HD3 H 1 3.261 0.020 . 1 . . . . 3 Arg HD3 . 18260 1 31 . 1 1 3 3 ARG C C 13 177.158 0.300 . 1 . . . . 3 Arg C . 18260 1 32 . 1 1 3 3 ARG CA C 13 56.536 0.300 . 1 . . . . 3 Arg CA . 18260 1 33 . 1 1 3 3 ARG CB C 13 30.600 0.300 . 1 . . . . 3 Arg CB . 18260 1 34 . 1 1 3 3 ARG CG C 13 27.059 0.300 . 1 . . . . 3 Arg CG . 18260 1 35 . 1 1 3 3 ARG CD C 13 43.033 0.300 . 1 . . . . 3 Arg CD . 18260 1 36 . 1 1 3 3 ARG N N 15 120.630 0.100 . 1 . . . . 3 Arg N . 18260 1 37 . 1 1 4 4 GLY H H 1 8.540 0.020 . 1 . . . . 4 Gly H . 18260 1 38 . 1 1 4 4 GLY HA2 H 1 3.992 0.020 . 1 . . . . 4 Gly HA2 . 18260 1 39 . 1 1 4 4 GLY HA3 H 1 3.992 0.020 . 1 . . . . 4 Gly HA3 . 18260 1 40 . 1 1 4 4 GLY C C 13 174.332 0.300 . 1 . . . . 4 Gly C . 18260 1 41 . 1 1 4 4 GLY CA C 13 45.369 0.300 . 1 . . . . 4 Gly CA . 18260 1 42 . 1 1 4 4 GLY N N 15 109.607 0.100 . 1 . . . . 4 Gly N . 18260 1 43 . 1 1 5 5 GLN H H 1 8.203 0.020 . 1 . . . . 5 Gln H . 18260 1 44 . 1 1 5 5 GLN HA H 1 4.372 0.020 . 1 . . . . 5 Gln HA . 18260 1 45 . 1 1 5 5 GLN HB2 H 1 2.129 0.020 . 1 . . . . 5 Gln HB2 . 18260 1 46 . 1 1 5 5 GLN HB3 H 1 2.129 0.020 . 1 . . . . 5 Gln HB3 . 18260 1 47 . 1 1 5 5 GLN HG2 H 1 2.397 0.020 . 1 . . . . 5 Gln HG2 . 18260 1 48 . 1 1 5 5 GLN HG3 H 1 2.397 0.020 . 1 . . . . 5 Gln HG3 . 18260 1 49 . 1 1 5 5 GLN HE21 H 1 7.636 0.020 . 2 . . . . 5 Gln HE21 . 18260 1 50 . 1 1 5 5 GLN HE22 H 1 6.877 0.020 . 2 . . . . 5 Gln HE22 . 18260 1 51 . 1 1 5 5 GLN C C 13 176.435 0.300 . 1 . . . . 5 Gln C . 18260 1 52 . 1 1 5 5 GLN CA C 13 56.536 0.300 . 1 . . . . 5 Gln CA . 18260 1 53 . 1 1 5 5 GLN CB C 13 29.244 0.300 . 1 . . . . 5 Gln CB . 18260 1 54 . 1 1 5 5 GLN CG C 13 33.539 0.300 . 1 . . . . 5 Gln CG . 18260 1 55 . 1 1 5 5 GLN CD C 13 180.399 0.300 . 1 . . . . 5 Gln CD . 18260 1 56 . 1 1 5 5 GLN N N 15 120.283 0.100 . 1 . . . . 5 Gln N . 18260 1 57 . 1 1 5 5 GLN NE2 N 15 112.292 0.100 . 1 . . . . 5 Gln NE2 . 18260 1 58 . 1 1 6 6 ARG H H 1 8.450 0.020 . 1 . . . . 6 Arg H . 18260 1 59 . 1 1 6 6 ARG HA H 1 4.320 0.020 . 1 . . . . 6 Arg HA . 18260 1 60 . 1 1 6 6 ARG HB2 H 1 1.799 0.020 . 2 . . . . 6 Arg HB2 . 18260 1 61 . 1 1 6 6 ARG HB3 H 1 1.897 0.020 . 2 . . . . 6 Arg HB3 . 18260 1 62 . 1 1 6 6 ARG HG2 H 1 1.598 0.020 . 1 . . . . 6 Arg HG2 . 18260 1 63 . 1 1 6 6 ARG HG3 H 1 1.598 0.020 . 1 . . . . 6 Arg HG3 . 18260 1 64 . 1 1 6 6 ARG HD2 H 1 2.942 0.020 . 1 . . . . 6 Arg HD2 . 18260 1 65 . 1 1 6 6 ARG HD3 H 1 2.942 0.020 . 1 . . . . 6 Arg HD3 . 18260 1 66 . 1 1 6 6 ARG HE H 1 7.178 0.020 . 1 . . . . 6 Arg HE . 18260 1 67 . 1 1 6 6 ARG C C 13 177.260 0.300 . 1 . . . . 6 Arg C . 18260 1 68 . 1 1 6 6 ARG CA C 13 57.440 0.300 . 1 . . . . 6 Arg CA . 18260 1 69 . 1 1 6 6 ARG CB C 13 30.073 0.300 . 1 . . . . 6 Arg CB . 18260 1 70 . 1 1 6 6 ARG CG C 13 27.360 0.300 . 1 . . . . 6 Arg CG . 18260 1 71 . 1 1 6 6 ARG CD C 13 42.958 0.300 . 1 . . . . 6 Arg CD . 18260 1 72 . 1 1 6 6 ARG CZ C 13 159.321 0.300 . 1 . . . . 6 Arg CZ . 18260 1 73 . 1 1 6 6 ARG N N 15 121.488 0.100 . 1 . . . . 6 Arg N . 18260 1 74 . 1 1 6 6 ARG NE N 15 84.380 00.100 . 1 . . . . 6 Arg NE . 18260 1 75 . 1 1 7 7 LEU H H 1 8.326 0.020 . 1 . . . . 7 Leu H . 18260 1 76 . 1 1 7 7 LEU HA H 1 4.307 0.020 . 1 . . . . 7 Leu HA . 18260 1 77 . 1 1 7 7 LEU HB2 H 1 1.609 0.020 . 1 . . . . 7 Leu HB2 . 18260 1 78 . 1 1 7 7 LEU HB3 H 1 1.609 0.020 . 1 . . . . 7 Leu HB3 . 18260 1 79 . 1 1 7 7 LEU HG H 1 1.418 0.020 . 1 . . . . 7 Leu HG . 18260 1 80 . 1 1 7 7 LEU HD11 H 1 0.860 0.020 . 2 . . . . 7 Leu HD11 . 18260 1 81 . 1 1 7 7 LEU HD12 H 1 0.860 0.020 . 2 . . . . 7 Leu HD12 . 18260 1 82 . 1 1 7 7 LEU HD13 H 1 0.860 0.020 . 2 . . . . 7 Leu HD13 . 18260 1 83 . 1 1 7 7 LEU HD21 H 1 0.860 0.020 . 2 . . . . 7 Leu HD21 . 18260 1 84 . 1 1 7 7 LEU HD22 H 1 0.860 0.020 . 2 . . . . 7 Leu HD22 . 18260 1 85 . 1 1 7 7 LEU HD23 H 1 0.860 0.020 . 2 . . . . 7 Leu HD23 . 18260 1 86 . 1 1 7 7 LEU C C 13 178.270 0.300 . 1 . . . . 7 Leu C . 18260 1 87 . 1 1 7 7 LEU CA C 13 56.708 0.300 . 1 . . . . 7 Leu CA . 18260 1 88 . 1 1 7 7 LEU CB C 13 41.602 0.300 . 1 . . . . 7 Leu CB . 18260 1 89 . 1 1 7 7 LEU CG C 13 24.045 0.300 . 1 . . . . 7 Leu CG . 18260 1 90 . 1 1 7 7 LEU N N 15 123.100 0.100 . 1 . . . . 7 Leu N . 18260 1 91 . 1 1 8 8 GLU H H 1 8.637 0.020 . 1 . . . . 8 Glu H . 18260 1 92 . 1 1 8 8 GLU HA H 1 4.162 0.020 . 1 . . . . 8 Glu HA . 18260 1 93 . 1 1 8 8 GLU HB2 H 1 2.074 0.020 . 1 . . . . 8 Glu HB2 . 18260 1 94 . 1 1 8 8 GLU HB3 H 1 2.074 0.020 . 1 . . . . 8 Glu HB3 . 18260 1 95 . 1 1 8 8 GLU HG2 H 1 2.311 0.020 . 1 . . . . 8 Glu HG2 . 18260 1 96 . 1 1 8 8 GLU HG3 H 1 2.311 0.020 . 1 . . . . 8 Glu HG3 . 18260 1 97 . 1 1 8 8 GLU C C 13 178.334 0.300 . 1 . . . . 8 Glu C . 18260 1 98 . 1 1 8 8 GLU CA C 13 58.431 0.300 . 1 . . . . 8 Glu CA . 18260 1 99 . 1 1 8 8 GLU CB C 13 29.244 0.300 . 1 . . . . 8 Glu CB . 18260 1 100 . 1 1 8 8 GLU CG C 13 36.720 0.300 . 1 . . . . 8 Glu CG . 18260 1 101 . 1 1 8 8 GLU N N 15 120.239 0.100 . 1 . . . . 8 Glu N . 18260 1 102 . 1 1 10 10 SER HA H 1 4.281 0.020 . 1 . . . . 10 Ser HA . 18260 1 103 . 1 1 10 10 SER C C 13 175.738 0.300 . 1 . . . . 10 Ser C . 18260 1 104 . 1 1 10 10 SER CA C 13 60.154 0.300 . 1 . . . . 10 Ser CA . 18260 1 105 . 1 1 10 10 SER CB C 13 63.228 0.300 . 1 . . . . 10 Ser CB . 18260 1 106 . 1 1 11 11 LEU H H 1 8.586 0.020 . 1 . . . . 11 Leu H . 18260 1 107 . 1 1 11 11 LEU HA H 1 4.169 0.020 . 1 . . . . 11 Leu HA . 18260 1 108 . 1 1 11 11 LEU HB2 H 1 1.829 0.020 . 1 . . . . 11 Leu HB2 . 18260 1 109 . 1 1 11 11 LEU HB3 H 1 1.829 0.020 . 1 . . . . 11 Leu HB3 . 18260 1 110 . 1 1 11 11 LEU HG H 1 1.728 0.020 . 1 . . . . 11 Leu HG . 18260 1 111 . 1 1 11 11 LEU HD11 H 1 0.916 0.020 . 2 . . . . 11 Leu HD11 . 18260 1 112 . 1 1 11 11 LEU HD12 H 1 0.916 0.020 . 2 . . . . 11 Leu HD12 . 18260 1 113 . 1 1 11 11 LEU HD13 H 1 0.916 0.020 . 2 . . . . 11 Leu HD13 . 18260 1 114 . 1 1 11 11 LEU HD21 H 1 0.916 0.020 . 2 . . . . 11 Leu HD21 . 18260 1 115 . 1 1 11 11 LEU HD22 H 1 0.916 0.020 . 2 . . . . 11 Leu HD22 . 18260 1 116 . 1 1 11 11 LEU HD23 H 1 0.916 0.020 . 2 . . . . 11 Leu HD23 . 18260 1 117 . 1 1 11 11 LEU C C 13 179.793 0.300 . 1 . . . . 11 Leu C . 18260 1 118 . 1 1 11 11 LEU CA C 13 58.086 0.300 . 1 . . . . 11 Leu CA . 18260 1 119 . 1 1 11 11 LEU CB C 13 41.376 0.300 . 1 . . . . 11 Leu CB . 18260 1 120 . 1 1 11 11 LEU CG C 13 27.022 0.300 . 1 . . . . 11 Leu CG . 18260 1 121 . 1 1 11 11 LEU CD1 C 13 24.435 0.300 . 2 . . . . 11 Leu CD1 . 18260 1 122 . 1 1 11 11 LEU CD2 C 13 24.435 0.300 . 2 . . . . 11 Leu CD2 . 18260 1 123 . 1 1 11 11 LEU N N 15 125.181 0.100 . 1 . . . . 11 Leu N . 18260 1 124 . 1 1 12 12 GLU HA H 1 4.178 0.020 . 1 . . . . 12 Glu HA . 18260 1 125 . 1 1 12 12 GLU HB2 H 1 2.142 0.020 . 1 . . . . 12 Glu HB2 . 18260 1 126 . 1 1 12 12 GLU HB3 H 1 2.142 0.020 . 1 . . . . 12 Glu HB3 . 18260 1 127 . 1 1 12 12 GLU HG2 H 1 2.471 0.020 . 1 . . . . 12 Glu HG2 . 18260 1 128 . 1 1 12 12 GLU HG3 H 1 2.471 0.020 . 1 . . . . 12 Glu HG3 . 18260 1 129 . 1 1 12 12 GLU C C 13 179.843 0.300 . 1 . . . . 12 Glu C . 18260 1 130 . 1 1 12 12 GLU CA C 13 59.938 0.300 . 1 . . . . 12 Glu CA . 18260 1 131 . 1 1 12 12 GLU CB C 13 29.470 0.300 . 1 . . . . 12 Glu CB . 18260 1 132 . 1 1 13 13 TYR H H 1 8.215 0.020 . 1 . . . . 13 Tyr H . 18260 1 133 . 1 1 13 13 TYR HA H 1 4.256 0.020 . 1 . . . . 13 Tyr HA . 18260 1 134 . 1 1 13 13 TYR HB2 H 1 3.066 0.020 . 1 . . . . 13 Tyr HB2 . 18260 1 135 . 1 1 13 13 TYR HB3 H 1 3.066 0.020 . 1 . . . . 13 Tyr HB3 . 18260 1 136 . 1 1 13 13 TYR HD1 H 1 6.700 0.020 . 1 . . . . 13 Tyr HD1 . 18260 1 137 . 1 1 13 13 TYR HD2 H 1 6.700 0.020 . 1 . . . . 13 Tyr HD2 . 18260 1 138 . 1 1 13 13 TYR HE1 H 1 6.490 0.020 . 1 . . . . 13 Tyr HE1 . 18260 1 139 . 1 1 13 13 TYR HE2 H 1 6.490 0.020 . 1 . . . . 13 Tyr HE2 . 18260 1 140 . 1 1 13 13 TYR C C 13 176.210 0.300 . 1 . . . . 13 Tyr C . 18260 1 141 . 1 1 13 13 TYR CA C 13 61.187 0.300 . 1 . . . . 13 Tyr CA . 18260 1 142 . 1 1 13 13 TYR CB C 13 38.738 0.300 . 1 . . . . 13 Tyr CB . 18260 1 143 . 1 1 13 13 TYR N N 15 121.178 0.100 . 1 . . . . 13 Tyr N . 18260 1 144 . 1 1 14 14 GLN H H 1 8.477 0.020 . 1 . . . . 14 Gln H . 18260 1 145 . 1 1 14 14 GLN HA H 1 4.085 0.020 . 1 . . . . 14 Gln HA . 18260 1 146 . 1 1 14 14 GLN HB2 H 1 2.088 0.020 . 1 . . . . 14 Gln HB2 . 18260 1 147 . 1 1 14 14 GLN HB3 H 1 2.088 0.020 . 1 . . . . 14 Gln HB3 . 18260 1 148 . 1 1 14 14 GLN HG2 H 1 2.346 0.020 . 1 . . . . 14 Gln HG2 . 18260 1 149 . 1 1 14 14 GLN HG3 H 1 2.346 0.020 . 1 . . . . 14 Gln HG3 . 18260 1 150 . 1 1 14 14 GLN HE21 H 1 6.871 0.020 . 2 . . . . 14 Gln HE21 . 18260 1 151 . 1 1 14 14 GLN HE22 H 1 7.424 0.020 . 2 . . . . 14 Gln HE22 . 18260 1 152 . 1 1 14 14 GLN C C 13 179.149 0.300 . 1 . . . . 14 Gln C . 18260 1 153 . 1 1 14 14 GLN CA C 13 58.933 0.300 . 1 . . . . 14 Gln CA . 18260 1 154 . 1 1 14 14 GLN CB C 13 27.963 0.300 . 1 . . . . 14 Gln CB . 18260 1 155 . 1 1 14 14 GLN CG C 13 34.142 0.300 . 1 . . . . 14 Gln CG . 18260 1 156 . 1 1 14 14 GLN CD C 13 180.058 0.300 . 1 . . . . 14 Gln CD . 18260 1 157 . 1 1 14 14 GLN N N 15 118.263 0.100 . 1 . . . . 14 Gln N . 18260 1 158 . 1 1 14 14 GLN NE2 N 15 111.024 0.100 . 1 . . . . 14 Gln NE2 . 18260 1 159 . 1 1 15 15 GLN H H 1 8.189 0.020 . 1 . . . . 15 Gln H . 18260 1 160 . 1 1 15 15 GLN HA H 1 4.210 0.020 . 1 . . . . 15 Gln HA . 18260 1 161 . 1 1 15 15 GLN HB2 H 1 2.190 0.020 . 1 . . . . 15 Gln HB2 . 18260 1 162 . 1 1 15 15 GLN HB3 H 1 2.190 0.020 . 1 . . . . 15 Gln HB3 . 18260 1 163 . 1 1 15 15 GLN HG2 H 1 2.475 0.020 . 1 . . . . 15 Gln HG2 . 18260 1 164 . 1 1 15 15 GLN HG3 H 1 2.475 0.020 . 1 . . . . 15 Gln HG3 . 18260 1 165 . 1 1 15 15 GLN HE21 H 1 6.898 0.020 . 2 . . . . 15 Gln HE21 . 18260 1 166 . 1 1 15 15 GLN HE22 H 1 7.419 0.020 . 2 . . . . 15 Gln HE22 . 18260 1 167 . 1 1 15 15 GLN C C 13 177.283 0.300 . 1 . . . . 15 Gln C . 18260 1 168 . 1 1 15 15 GLN CA C 13 58.603 0.300 . 1 . . . . 15 Gln CA . 18260 1 169 . 1 1 15 15 GLN CB C 13 28.490 0.300 . 1 . . . . 15 Gln CB . 18260 1 170 . 1 1 15 15 GLN CG C 13 33.916 0.300 . 1 . . . . 15 Gln CG . 18260 1 171 . 1 1 15 15 GLN CD C 13 179.943 0.300 . 1 . . . . 15 Gln CD . 18260 1 172 . 1 1 15 15 GLN N N 15 119.288 0.100 . 1 . . . . 15 Gln N . 18260 1 173 . 1 1 15 15 GLN NE2 N 15 112.341 0.100 . 1 . . . . 15 Gln NE2 . 18260 1 174 . 1 1 16 16 PHE H H 1 7.497 0.020 . 1 . . . . 16 Phe H . 18260 1 175 . 1 1 16 16 PHE HA H 1 4.361 0.020 . 1 . . . . 16 Phe HA . 18260 1 176 . 1 1 16 16 PHE HB2 H 1 3.214 0.020 . 1 . . . . 16 Phe HB2 . 18260 1 177 . 1 1 16 16 PHE HB3 H 1 3.212 0.020 . 1 . . . . 16 Phe HB3 . 18260 1 178 . 1 1 16 16 PHE HD1 H 1 6.932 0.020 . 3 . . . . 16 Phe HD1 . 18260 1 179 . 1 1 16 16 PHE HD2 H 1 6.932 0.020 . 3 . . . . 16 Phe HD2 . 18260 1 180 . 1 1 16 16 PHE HE1 H 1 7.243 0.020 . 3 . . . . 16 Phe HE1 . 18260 1 181 . 1 1 16 16 PHE HE2 H 1 7.243 0.020 . 3 . . . . 16 Phe HE2 . 18260 1 182 . 1 1 16 16 PHE C C 13 176.189 0.300 . 1 . . . . 16 Phe C . 18260 1 183 . 1 1 16 16 PHE CA C 13 60.972 0.300 . 1 . . . . 16 Phe CA . 18260 1 184 . 1 1 16 16 PHE CB C 13 38.211 0.300 . 1 . . . . 16 Phe CB . 18260 1 185 . 1 1 16 16 PHE CE1 C 13 132.096 0.300 . 1 . . . . 16 Phe CE1 . 18260 1 186 . 1 1 16 16 PHE CE2 C 13 132.096 0.300 . 3 . . . . 16 Phe CE2 . 18260 1 187 . 1 1 16 16 PHE N N 15 121.280 0.100 . 1 . . . . 16 Phe N . 18260 1 188 . 1 1 17 17 VAL H H 1 8.355 0.020 . 1 . . . . 17 Val H . 18260 1 189 . 1 1 17 17 VAL HA H 1 4.230 0.020 . 1 . . . . 17 Val HA . 18260 1 190 . 1 1 17 17 VAL HB H 1 2.258 0.020 . 1 . . . . 17 Val HB . 18260 1 191 . 1 1 17 17 VAL HG11 H 1 0.773 0.020 . 2 . . . . 17 Val HG11 . 18260 1 192 . 1 1 17 17 VAL HG12 H 1 0.773 0.020 . 2 . . . . 17 Val HG12 . 18260 1 193 . 1 1 17 17 VAL HG13 H 1 0.773 0.020 . 2 . . . . 17 Val HG13 . 18260 1 194 . 1 1 17 17 VAL HG21 H 1 0.568 0.020 . 2 . . . . 17 Val HG21 . 18260 1 195 . 1 1 17 17 VAL HG22 H 1 0.568 0.020 . 2 . . . . 17 Val HG22 . 18260 1 196 . 1 1 17 17 VAL HG23 H 1 0.568 0.020 . 2 . . . . 17 Val HG23 . 18260 1 197 . 1 1 17 17 VAL C C 13 177.798 0.300 . 1 . . . . 17 Val C . 18260 1 198 . 1 1 17 17 VAL CA C 13 67.130 0.300 . 1 . . . . 17 Val CA . 18260 1 199 . 1 1 17 17 VAL CB C 13 31.203 0.300 . 1 . . . . 17 Val CB . 18260 1 200 . 1 1 17 17 VAL CG1 C 13 23.367 0.300 . 2 . . . . 17 Val CG1 . 18260 1 201 . 1 1 17 17 VAL CG2 C 13 21.613 0.300 . 2 . . . . 17 Val CG2 . 18260 1 202 . 1 1 17 17 VAL N N 15 119.277 0.100 . 1 . . . . 17 Val N . 18260 1 203 . 1 1 18 18 ALA H H 1 7.808 0.020 . 1 . . . . 18 Ala H . 18260 1 204 . 1 1 18 18 ALA HA H 1 4.077 0.020 . 1 . . . . 18 Ala HA . 18260 1 205 . 1 1 18 18 ALA HB1 H 1 1.442 0.020 . 1 . . . . 18 Ala HB1 . 18260 1 206 . 1 1 18 18 ALA HB2 H 1 1.442 0.020 . 1 . . . . 18 Ala HB2 . 18260 1 207 . 1 1 18 18 ALA HB3 H 1 1.442 0.020 . 1 . . . . 18 Ala HB3 . 18260 1 208 . 1 1 18 18 ALA C C 13 180.736 0.300 . 1 . . . . 18 Ala C . 18260 1 209 . 1 1 18 18 ALA CA C 13 54.900 0.300 . 1 . . . . 18 Ala CA . 18260 1 210 . 1 1 18 18 ALA CB C 13 17.564 0.300 . 1 . . . . 18 Ala CB . 18260 1 211 . 1 1 18 18 ALA N N 15 121.046 0.100 . 1 . . . . 18 Ala N . 18260 1 212 . 1 1 19 19 ASN HA H 1 4.604 0.020 . 1 . . . . 19 Asn HA . 18260 1 213 . 1 1 19 19 ASN HB2 H 1 3.005 0.020 . 2 . . . . 19 Asn HB2 . 18260 1 214 . 1 1 19 19 ASN HB3 H 1 2.773 0.020 . 2 . . . . 19 Asn HB3 . 18260 1 215 . 1 1 19 19 ASN HD21 H 1 7.730 0.020 . 2 . . . . 19 Asn HD21 . 18260 1 216 . 1 1 19 19 ASN HD22 H 1 6.951 0.020 . 2 . . . . 19 Asn HD22 . 18260 1 217 . 1 1 19 19 ASN C C 13 177.883 0.300 . 1 . . . . 19 Asn C . 18260 1 218 . 1 1 19 19 ASN CA C 13 55.890 0.300 . 1 . . . . 19 Asn CA . 18260 1 219 . 1 1 19 19 ASN CB C 13 38.286 0.300 . 1 . . . . 19 Asn CB . 18260 1 220 . 1 1 19 19 ASN CG C 13 176.204 0.300 . 1 . . . . 19 Asn CG . 18260 1 221 . 1 1 19 19 ASN ND2 N 15 112.459 0.100 . 1 . . . . 19 Asn ND2 . 18260 1 222 . 1 1 20 20 VAL H H 1 8.286 0.020 . 1 . . . . 20 Val H . 18260 1 223 . 1 1 20 20 VAL HA H 1 3.351 0.020 . 1 . . . . 20 Val HA . 18260 1 224 . 1 1 20 20 VAL HB H 1 1.984 0.020 . 1 . . . . 20 Val HB . 18260 1 225 . 1 1 20 20 VAL HG11 H 1 0.200 0.020 . 2 . . . . 20 Val HG11 . 18260 1 226 . 1 1 20 20 VAL HG12 H 1 0.200 0.020 . 2 . . . . 20 Val HG12 . 18260 1 227 . 1 1 20 20 VAL HG13 H 1 0.200 0.020 . 2 . . . . 20 Val HG13 . 18260 1 228 . 1 1 20 20 VAL HG21 H 1 0.860 0.020 . 2 . . . . 20 Val HG21 . 18260 1 229 . 1 1 20 20 VAL HG22 H 1 0.860 0.020 . 2 . . . . 20 Val HG22 . 18260 1 230 . 1 1 20 20 VAL HG23 H 1 0.860 0.020 . 2 . . . . 20 Val HG23 . 18260 1 231 . 1 1 20 20 VAL CA C 13 67.087 0.300 . 1 . . . . 20 Val CA . 18260 1 232 . 1 1 20 20 VAL CB C 13 30.977 0.300 . 1 . . . . 20 Val CB . 18260 1 233 . 1 1 20 20 VAL CG1 C 13 22.914 0.300 . 2 . . . . 20 Val CG1 . 18260 1 234 . 1 1 20 20 VAL CG2 C 13 21.387 0.300 . 2 . . . . 20 Val CG2 . 18260 1 235 . 1 1 20 20 VAL N N 15 121.44 0.100 . 1 . . . . 20 Val N . 18260 1 236 . 1 1 21 21 GLU H H 1 8.402 0.020 . 1 . . . . 21 Glu H . 18260 1 237 . 1 1 21 21 GLU HA H 1 4.024 0.020 . 1 . . . . 21 Glu HA . 18260 1 238 . 1 1 21 21 GLU HB2 H 1 2.164 0.020 . 1 . . . . 21 Glu HB2 . 18260 1 239 . 1 1 21 21 GLU HB3 H 1 2.164 0.020 . 1 . . . . 21 Glu HB3 . 18260 1 240 . 1 1 21 21 GLU HG2 H 1 2.552 0.020 . 1 . . . . 21 Glu HG2 . 18260 1 241 . 1 1 21 21 GLU HG3 H 1 2.552 0.020 . 1 . . . . 21 Glu HG3 . 18260 1 242 . 1 1 21 21 GLU CA C 13 59.761 0.300 . 1 . . . . 21 Glu CA . 18260 1 243 . 1 1 21 21 GLU CB C 13 28.943 0.300 . 1 . . . . 21 Glu CB . 18260 1 244 . 1 1 21 21 GLU N N 15 117.778 0.100 . 1 . . . . 21 Glu N . 18260 1 245 . 1 1 22 22 GLU H H 1 8.144 0.020 . 1 . . . . 22 Glu H . 18260 1 246 . 1 1 22 22 GLU HA H 1 4.214 0.020 . 1 . . . . 22 Glu HA . 18260 1 247 . 1 1 22 22 GLU HB2 H 1 2.113 0.020 . 2 . . . . 22 Glu HB2 . 18260 1 248 . 1 1 22 22 GLU HB3 H 1 2.004 0.020 . 2 . . . . 22 Glu HB3 . 18260 1 249 . 1 1 22 22 GLU HG2 H 1 2.746 0.020 . 1 . . . . 22 Glu HG2 . 18260 1 250 . 1 1 22 22 GLU HG3 H 1 2.746 0.020 . 1 . . . . 22 Glu HG3 . 18260 1 251 . 1 1 22 22 GLU C C 13 177.862 0.300 . 1 . . . . 22 Glu C . 18260 1 252 . 1 1 22 22 GLU CA C 13 58.129 0.300 . 1 . . . . 22 Glu CA . 18260 1 253 . 1 1 22 22 GLU CB C 13 29.470 0.300 . 1 . . . . 22 Glu CB . 18260 1 254 . 1 1 22 22 GLU N N 15 120.822 0.100 . 1 . . . . 22 Glu N . 18260 1 255 . 1 1 23 23 GLU H H 1 8.287 0.020 . 1 . . . . 23 Glu H . 18260 1 256 . 1 1 23 23 GLU HA H 1 4.578 0.020 . 1 . . . . 23 Glu HA . 18260 1 257 . 1 1 23 23 GLU HB2 H 1 2.296 0.020 . 2 . . . . 23 Glu HB2 . 18260 1 258 . 1 1 23 23 GLU HB3 H 1 2.090 0.020 . 2 . . . . 23 Glu HB3 . 18260 1 259 . 1 1 23 23 GLU HG2 H 1 2.617 0.020 . 1 . . . . 23 Glu HG2 . 18260 1 260 . 1 1 23 23 GLU HG3 H 1 2.617 0.020 . 1 . . . . 23 Glu HG3 . 18260 1 261 . 1 1 23 23 GLU C C 13 179.321 0.300 . 1 . . . . 23 Glu C . 18260 1 262 . 1 1 23 23 GLU CA C 13 59.517 0.300 . 1 . . . . 23 Glu CA . 18260 1 263 . 1 1 23 23 GLU CB C 13 29.696 0.300 . 1 . . . . 23 Glu CB . 18260 1 264 . 1 1 23 23 GLU CG C 13 36.553 0.300 . 1 . . . . 23 Glu CG . 18260 1 265 . 1 1 23 23 GLU N N 15 119.409 0.100 . 1 . . . . 23 Glu N . 18260 1 266 . 1 1 24 24 GLU H H 1 9.071 0.020 . 1 . . . . 24 Glu H . 18260 1 267 . 1 1 24 24 GLU HA H 1 3.828 0.020 . 1 . . . . 24 Glu HA . 18260 1 268 . 1 1 24 24 GLU HB2 H 1 2.258 0.020 . 2 . . . . 24 Glu HB2 . 18260 1 269 . 1 1 24 24 GLU HB3 H 1 1.987 0.020 . 2 . . . . 24 Glu HB3 . 18260 1 270 . 1 1 24 24 GLU HG2 H 1 2.384 0.020 . 1 . . . . 24 Glu HG2 . 18260 1 271 . 1 1 24 24 GLU HG3 H 1 2.384 0.020 . 1 . . . . 24 Glu HG3 . 18260 1 272 . 1 1 24 24 GLU C C 13 178.227 0.300 . 1 . . . . 24 Glu C . 18260 1 273 . 1 1 24 24 GLU CA C 13 60.886 0.300 . 1 . . . . 24 Glu CA . 18260 1 274 . 1 1 24 24 GLU CB C 13 29.545 0.300 . 1 . . . . 24 Glu CB . 18260 1 275 . 1 1 24 24 GLU CG C 13 38.6663 0.300 . 1 . . . . 24 Glu CG . 18260 1 276 . 1 1 24 24 GLU N N 15 119.418 0.100 . 1 . . . . 24 Glu N . 18260 1 277 . 1 1 25 25 ALA H H 1 8.207 0.020 . 1 . . . . 25 Ala H . 18260 1 278 . 1 1 25 25 ALA HA H 1 4.243 0.020 . 1 . . . . 25 Ala HA . 18260 1 279 . 1 1 25 25 ALA HB1 H 1 1.584 0.020 . 1 . . . . 25 Ala HB1 . 18260 1 280 . 1 1 25 25 ALA HB2 H 1 1.584 0.020 . 1 . . . . 25 Ala HB2 . 18260 1 281 . 1 1 25 25 ALA HB3 H 1 1.584 0.020 . 1 . . . . 25 Ala HB3 . 18260 1 282 . 1 1 25 25 ALA C C 13 180.522 0.300 . 1 . . . . 25 Ala C . 18260 1 283 . 1 1 25 25 ALA CA C 13 55.244 0.300 . 1 . . . . 25 Ala CA . 18260 1 284 . 1 1 25 25 ALA CB C 13 17.564 0.300 . 1 . . . . 25 Ala CB . 18260 1 285 . 1 1 25 25 ALA N N 15 120.107 0.100 . 1 . . . . 25 Ala N . 18260 1 286 . 1 1 26 26 TRP H H 1 7.631 0.020 . 1 . . . . 26 Trp H . 18260 1 287 . 1 1 26 26 TRP HA H 1 4.101 0.020 . 1 . . . . 26 Trp HA . 18260 1 288 . 1 1 26 26 TRP HB2 H 1 3.360 0.020 . 1 . . . . 26 Trp HB2 . 18260 1 289 . 1 1 26 26 TRP HB3 H 1 3.200 0.020 . 1 . . . . 26 Trp HB3 . 18260 1 290 . 1 1 26 26 TRP HD1 H 1 7.248 0.020 . 1 . . . . 26 Trp HD1 . 18260 1 291 . 1 1 26 26 TRP HE1 H 1 10.164 0.020 . 1 . . . . 26 Trp HE1 . 18260 1 292 . 1 1 26 26 TRP HZ2 H 1 6.597 0.020 . 1 . . . . 26 Trp HZ2 . 18260 1 293 . 1 1 26 26 TRP C C 13 177.712 0.300 . 1 . . . . 26 Trp C . 18260 1 294 . 1 1 26 26 TRP CA C 13 62.550 0.300 . 1 . . . . 26 Trp CA . 18260 1 295 . 1 1 26 26 TRP CB C 13 28.114 0.300 . 1 . . . . 26 Trp CB . 18260 1 296 . 1 1 26 26 TRP CD1 C 13 127.365 0.300 . 1 . . . . 26 Trp CD1 . 18260 1 297 . 1 1 26 26 TRP CE2 C 13 158.596 0.300 . 1 . . . . 26 Trp CE2 . 18260 1 298 . 1 1 26 26 TRP CZ2 C 13 103.184 0.300 . 1 . . . . 26 Trp CZ2 . 18260 1 299 . 1 1 26 26 TRP N N 15 120.649 0.100 . 1 . . . . 26 Trp N . 18260 1 300 . 1 1 26 26 TRP NE1 N 15 129.645 0.100 . 1 . . . . 26 Trp NE1 . 18260 1 301 . 1 1 27 27 ILE H H 1 8.574 0.020 . 1 . . . . 27 Ile H . 18260 1 302 . 1 1 27 27 ILE HA H 1 3.263 0.020 . 1 . . . . 27 Ile HA . 18260 1 303 . 1 1 27 27 ILE HB H 1 2.000 0.020 . 1 . . . . 27 Ile HB . 18260 1 304 . 1 1 27 27 ILE HG12 H 1 1.238 0.020 . 1 . . . . 27 Ile HG12 . 18260 1 305 . 1 1 27 27 ILE HG13 H 1 1.238 0.020 . 1 . . . . 27 Ile HG13 . 18260 1 306 . 1 1 27 27 ILE HG21 H 1 0.984 0.020 . 1 . . . . 27 Ile HG21 . 18260 1 307 . 1 1 27 27 ILE HG22 H 1 0.984 0.020 . 1 . . . . 27 Ile HG22 . 18260 1 308 . 1 1 27 27 ILE HG23 H 1 0.984 0.020 . 1 . . . . 27 Ile HG23 . 18260 1 309 . 1 1 27 27 ILE HD11 H 1 0.680 0.020 . 1 . . . . 27 Ile HD11 . 18260 1 310 . 1 1 27 27 ILE HD12 H 1 0.680 0.020 . 1 . . . . 27 Ile HD12 . 18260 1 311 . 1 1 27 27 ILE HD13 H 1 0.680 0.020 . 1 . . . . 27 Ile HD13 . 18260 1 312 . 1 1 27 27 ILE C C 13 177.605 0.300 . 1 . . . . 27 Ile C . 18260 1 313 . 1 1 27 27 ILE CA C 13 65.278 0.300 . 1 . . . . 27 Ile CA . 18260 1 314 . 1 1 27 27 ILE CB C 13 38.286 0.300 . 1 . . . . 27 Ile CB . 18260 1 315 . 1 1 27 27 ILE CG1 C 13 29.093 0.300 . 1 . . . . 27 Ile CG1 . 18260 1 316 . 1 1 27 27 ILE CG2 C 13 18.318 0.300 . 1 . . . . 27 Ile CG2 . 18260 1 317 . 1 1 27 27 ILE CD1 C 13 15.634 0.300 . 1 . . . . 27 Ile CD1 . 18260 1 318 . 1 1 27 27 ILE N N 15 118.334 0.100 . 1 . . . . 27 Ile N . 18260 1 319 . 1 1 28 28 ASN H H 1 8.749 0.020 . 1 . . . . 28 Asn H . 18260 1 320 . 1 1 28 28 ASN HA H 1 4.359 0.020 . 1 . . . . 28 Asn HA . 18260 1 321 . 1 1 28 28 ASN HB2 H 1 2.796 0.020 . 1 . . . . 28 Asn HB2 . 18260 1 322 . 1 1 28 28 ASN HB3 H 1 2.796 0.020 . 1 . . . . 28 Asn HB3 . 18260 1 323 . 1 1 28 28 ASN HD21 H 1 7.545 0.020 . 2 . . . . 28 Asn HD21 . 18260 1 324 . 1 1 28 28 ASN HD22 H 1 6.940 0.020 . 2 . . . . 28 Asn HD22 . 18260 1 325 . 1 1 28 28 ASN C C 13 178.227 0.300 . 1 . . . . 28 Asn C . 18260 1 326 . 1 1 28 28 ASN CA C 13 56.145 0.300 . 1 . . . . 28 Asn CA . 18260 1 327 . 1 1 28 28 ASN CB C 13 37.683 0.300 . 1 . . . . 28 Asn CB . 18260 1 328 . 1 1 28 28 ASN CG C 13 175.781 0.300 . 1 . . . . 28 Asn CG . 18260 1 329 . 1 1 28 28 ASN N N 15 116.961 0.100 . 1 . . . . 28 Asn N . 18260 1 330 . 1 1 28 28 ASN ND2 N 15 111.429 0.100 . 1 . . . . 28 Asn ND2 . 18260 1 331 . 1 1 29 29 GLU H H 1 7.624 0.020 . 1 . . . . 29 Glu H . 18260 1 332 . 1 1 29 29 GLU HA H 1 4.049 0.020 . 1 . . . . 29 Glu HA . 18260 1 333 . 1 1 29 29 GLU HB2 H 1 1.971 0.020 . 1 . . . . 29 Glu HB2 . 18260 1 334 . 1 1 29 29 GLU HB3 H 1 1.971 0.020 . 1 . . . . 29 Glu HB3 . 18260 1 335 . 1 1 29 29 GLU HG2 H 1 2.294 0.020 . 1 . . . . 29 Glu HG2 . 18260 1 336 . 1 1 29 29 GLU HG3 H 1 2.294 0.020 . 1 . . . . 29 Glu HG3 . 18260 1 337 . 1 1 29 29 GLU C C 13 179.361 0.300 . 1 . . . . 29 Glu C . 18260 1 338 . 1 1 29 29 GLU CA C 13 59.033 0.300 . 1 . . . . 29 Glu CA . 18260 1 339 . 1 1 29 29 GLU CB C 13 29.093 0.300 . 1 . . . . 29 Glu CB . 18260 1 340 . 1 1 29 29 GLU CG C 13 35.875 0.300 . 1 . . . . 29 Glu CG . 18260 1 341 . 1 1 29 29 GLU N N 15 119.679 0.100 . 1 . . . . 29 Glu N . 18260 1 342 . 1 1 30 30 LYS H H 1 7.805 0.020 . 1 . . . . 30 Lys H . 18260 1 343 . 1 1 30 30 LYS HA H 1 3.792 0.020 . 1 . . . . 30 Lys HA . 18260 1 344 . 1 1 30 30 LYS HB2 H 1 1.298 0.020 . 1 . . . . 30 Lys HB2 . 18260 1 345 . 1 1 30 30 LYS HB3 H 1 1.298 0.020 . 1 . . . . 30 Lys HB3 . 18260 1 346 . 1 1 30 30 LYS HG2 H 1 1.043 0.020 . 1 . . . . 30 Lys HG2 . 18260 1 347 . 1 1 30 30 LYS HG3 H 1 1.043 0.020 . 1 . . . . 30 Lys HG3 . 18260 1 348 . 1 1 30 30 LYS HD2 H 1 1.624 0.020 . 1 . . . . 30 Lys HD2 . 18260 1 349 . 1 1 30 30 LYS HD3 H 1 1.624 0.020 . 1 . . . . 30 Lys HD3 . 18260 1 350 . 1 1 30 30 LYS HE2 H 1 2.810 0.020 . 2 . . . . 30 Lys HE2 . 18260 1 351 . 1 1 30 30 LYS HE3 H 1 2.305 0.020 . 2 . . . . 30 Lys HE3 . 18260 1 352 . 1 1 30 30 LYS C C 13 178.398 0.300 . 1 . . . . 30 Lys C . 18260 1 353 . 1 1 30 30 LYS CA C 13 56.192 0.300 . 1 . . . . 30 Lys CA . 18260 1 354 . 1 1 30 30 LYS CB C 13 30.299 0.300 . 1 . . . . 30 Lys CB . 18260 1 355 . 1 1 30 30 LYS CE C 13 42.204 0.300 . 1 . . . . 30 Lys CE . 18260 1 356 . 1 1 30 30 LYS N N 15 117.598 0.100 . 1 . . . . 30 Lys N . 18260 1 357 . 1 1 31 31 MET H H 1 8.740 0.020 . 1 . . . . 31 Met H . 18260 1 358 . 1 1 31 31 MET HA H 1 4.011 0.020 . 1 . . . . 31 Met HA . 18260 1 359 . 1 1 31 31 MET HB2 H 1 2.177 0.020 . 2 . . . . 31 Met HB2 . 18260 1 360 . 1 1 31 31 MET HB3 H 1 1.996 0.020 . 2 . . . . 31 Met HB3 . 18260 1 361 . 1 1 31 31 MET HG2 H 1 2.615 0.020 . 1 . . . . 31 Met HG2 . 18260 1 362 . 1 1 31 31 MET HG3 H 1 2.615 0.020 . 1 . . . . 31 Met HG3 . 18260 1 363 . 1 1 31 31 MET HE1 H 1 2.025 0.020 . 1 . . . . 31 Met HE1 . 18260 1 364 . 1 1 31 31 MET HE2 H 1 2.025 0.020 . 1 . . . . 31 Met HE2 . 18260 1 365 . 1 1 31 31 MET HE3 H 1 2.025 0.020 . 1 . . . . 31 Met HE3 . 18260 1 366 . 1 1 31 31 MET C C 13 178.248 0.300 . 1 . . . . 31 Met C . 18260 1 367 . 1 1 31 31 MET CA C 13 57.484 0.300 . 1 . . . . 31 Met CA . 18260 1 368 . 1 1 31 31 MET CB C 13 30.977 0.300 . 1 . . . . 31 Met CB . 18260 1 369 . 1 1 31 31 MET CG C 13 32.635 0.300 . 1 . . . . 31 Met CG . 18260 1 370 . 1 1 31 31 MET CE C 13 16.869 0.300 . 1 . . . . 31 Met CE . 18260 1 371 . 1 1 31 31 MET N N 15 120.255 0.100 . 1 . . . . 31 Met N . 18260 1 372 . 1 1 32 32 THR H H 1 7.165 0.020 . 1 . . . . 32 Thr H . 18260 1 373 . 1 1 32 32 THR HA H 1 3.891 0.020 . 1 . . . . 32 Thr HA . 18260 1 374 . 1 1 32 32 THR HB H 1 4.217 0.020 . 1 . . . . 32 Thr HB . 18260 1 375 . 1 1 32 32 THR HG21 H 1 1.211 0.020 . 1 . . . . 32 Thr HG21 . 18260 1 376 . 1 1 32 32 THR HG22 H 1 1.211 0.020 . 1 . . . . 32 Thr HG22 . 18260 1 377 . 1 1 32 32 THR HG23 H 1 1.211 0.020 . 1 . . . . 32 Thr HG23 . 18260 1 378 . 1 1 32 32 THR C C 13 176.038 0.300 . 1 . . . . 32 Thr C . 18260 1 379 . 1 1 32 32 THR CA C 13 65.639 0.300 . 1 . . . . 32 Thr CA . 18260 1 380 . 1 1 32 32 THR CB C 13 68.427 0.300 . 1 . . . . 32 Thr CB . 18260 1 381 . 1 1 32 32 THR CG2 C 13 21.786 0.300 . 1 . . . . 32 Thr CG2 . 18260 1 382 . 1 1 32 32 THR N N 15 112.333 0.100 . 1 . . . . 32 Thr N . 18260 1 383 . 1 1 33 33 LEU H H 1 7.049 0.020 . 1 . . . . 33 Leu H . 18260 1 384 . 1 1 33 33 LEU HA H 1 4.150 0.020 . 1 . . . . 33 Leu HA . 18260 1 385 . 1 1 33 33 LEU HB2 H 1 1.626 0.020 . 1 . . . . 33 Leu HB2 . 18260 1 386 . 1 1 33 33 LEU HB3 H 1 1.626 0.020 . 1 . . . . 33 Leu HB3 . 18260 1 387 . 1 1 33 33 LEU HD11 H 1 0.566 0.020 . 2 . . . . 33 Leu HD11 . 18260 1 388 . 1 1 33 33 LEU HD12 H 1 0.566 0.020 . 2 . . . . 33 Leu HD12 . 18260 1 389 . 1 1 33 33 LEU HD13 H 1 0.566 0.020 . 2 . . . . 33 Leu HD13 . 18260 1 390 . 1 1 33 33 LEU HD21 H 1 0.773 0.020 . 2 . . . . 33 Leu HD21 . 18260 1 391 . 1 1 33 33 LEU HD22 H 1 0.773 0.020 . 2 . . . . 33 Leu HD22 . 18260 1 392 . 1 1 33 33 LEU HD23 H 1 0.773 0.020 . 2 . . . . 33 Leu HD23 . 18260 1 393 . 1 1 33 33 LEU C C 13 179.793 0.300 . 1 . . . . 33 Leu C . 18260 1 394 . 1 1 33 33 LEU CA C 13 57.527 0.300 . 1 . . . . 33 Leu CA . 18260 1 395 . 1 1 33 33 LEU CB C 13 41.903 0.300 . 1 . . . . 33 Leu CB . 18260 1 396 . 1 1 33 33 LEU CG C 13 26.456 0.300 . 1 . . . . 33 Leu CG . 18260 1 397 . 1 1 33 33 LEU CD1 C 13 24.497 0.300 . 2 . . . . 33 Leu CD1 . 18260 1 398 . 1 1 33 33 LEU CD2 C 13 23.969 0.300 . 2 . . . . 33 Leu CD2 . 18260 1 399 . 1 1 33 33 LEU N N 15 121.450 0.100 . 1 . . . . 33 Leu N . 18260 1 400 . 1 1 34 34 VAL H H 1 8.147 0.020 . 1 . . . . 34 Val H . 18260 1 401 . 1 1 34 34 VAL HA H 1 3.792 0.020 . 1 . . . . 34 Val HA . 18260 1 402 . 1 1 34 34 VAL HB H 1 1.974 0.020 . 1 . . . . 34 Val HB . 18260 1 403 . 1 1 34 34 VAL HG11 H 1 0.554 0.020 . 2 . . . . 34 Val HG11 . 18260 1 404 . 1 1 34 34 VAL HG12 H 1 0.554 0.020 . 2 . . . . 34 Val HG12 . 18260 1 405 . 1 1 34 34 VAL HG13 H 1 0.554 0.020 . 2 . . . . 34 Val HG13 . 18260 1 406 . 1 1 34 34 VAL HG21 H 1 0.554 0.020 . 2 . . . . 34 Val HG21 . 18260 1 407 . 1 1 34 34 VAL HG22 H 1 0.554 0.020 . 2 . . . . 34 Val HG22 . 18260 1 408 . 1 1 34 34 VAL HG23 H 1 0.554 0.020 . 2 . . . . 34 Val HG23 . 18260 1 409 . 1 1 34 34 VAL C C 13 175.781 0.300 . 1 . . . . 34 Val C . 18260 1 410 . 1 1 34 34 VAL CA C 13 64.057 0.300 . 1 . . . . 34 Val CA . 18260 1 411 . 1 1 34 34 VAL CB C 13 31.203 0.300 . 1 . . . . 34 Val CB . 18260 1 412 . 1 1 34 34 VAL CG1 C 13 21.257 0.300 . 2 . . . . 34 Val CG1 . 18260 1 413 . 1 1 34 34 VAL CG2 C 13 20.980 0.300 . 2 . . . . 34 Val CG2 . 18260 1 414 . 1 1 34 34 VAL N N 15 113.928 0.100 . 1 . . . . 34 Val N . 18260 1 415 . 1 1 35 35 ALA H H 1 7.461 0.020 . 1 . . . . 35 Ala H . 18260 1 416 . 1 1 35 35 ALA HA H 1 4.434 0.020 . 1 . . . . 35 Ala HA . 18260 1 417 . 1 1 35 35 ALA HB1 H 1 1.450 0.020 . 1 . . . . 35 Ala HB1 . 18260 1 418 . 1 1 35 35 ALA HB2 H 1 1.450 0.020 . 1 . . . . 35 Ala HB2 . 18260 1 419 . 1 1 35 35 ALA HB3 H 1 1.450 0.020 . 1 . . . . 35 Ala HB3 . 18260 1 420 . 1 1 35 35 ALA C C 13 177.293 0.300 . 1 . . . . 35 Ala C . 18260 1 421 . 1 1 35 35 ALA CA C 13 51.842 0.300 . 1 . . . . 35 Ala CA . 18260 1 422 . 1 1 35 35 ALA CB C 13 18.318 0.300 . 1 . . . . 35 Ala CB . 18260 1 423 . 1 1 35 35 ALA N N 15 120.625 0.100 . 1 . . . . 35 Ala N . 18260 1 424 . 1 1 36 36 SER H H 1 6.934 0.020 . 1 . . . . 36 Ser H . 18260 1 425 . 1 1 36 36 SER HA H 1 4.152 0.020 . 1 . . . . 36 Ser HA . 18260 1 426 . 1 1 36 36 SER HB2 H 1 3.766 0.020 . 2 . . . . 36 Ser HB2 . 18260 1 427 . 1 1 36 36 SER HB3 H 1 3.611 0.020 . 2 . . . . 36 Ser HB3 . 18260 1 428 . 1 1 36 36 SER C C 13 175.095 0.300 . 1 . . . . 36 Ser C . 18260 1 429 . 1 1 36 36 SER CA C 13 58.432 0.300 . 1 . . . . 36 Ser CA . 18260 1 430 . 1 1 36 36 SER CB C 13 63.680 0.300 . 1 . . . . 36 Ser CB . 18260 1 431 . 1 1 36 36 SER N N 15 111.775 0.100 . 1 . . . . 36 Ser N . 18260 1 432 . 1 1 37 37 GLU H H 1 8.487 0.020 . 1 . . . . 37 Glu H . 18260 1 433 . 1 1 37 37 GLU HA H 1 4.281 0.020 . 1 . . . . 37 Glu HA . 18260 1 434 . 1 1 37 37 GLU HB2 H 1 2.193 0.020 . 2 . . . . 37 Glu HB2 . 18260 1 435 . 1 1 37 37 GLU HB3 H 1 1.819 0.020 . 2 . . . . 37 Glu HB3 . 18260 1 436 . 1 1 37 37 GLU HG2 H 1 2.744 0.020 . 1 . . . . 37 Glu HG2 . 18260 1 437 . 1 1 37 37 GLU HG3 H 1 2.744 0.020 . 1 . . . . 37 Glu HG3 . 18260 1 438 . 1 1 37 37 GLU C C 13 174.301 0.300 . 1 . . . . 37 Glu C . 18260 1 439 . 1 1 37 37 GLU CA C 13 55.287 0.300 . 1 . . . . 37 Glu CA . 18260 1 440 . 1 1 37 37 GLU CB C 13 28.792 0.300 . 1 . . . . 37 Glu CB . 18260 1 441 . 1 1 37 37 GLU CG C 13 36.327 0.300 . 1 . . . . 37 Glu CG . 18260 1 442 . 1 1 37 37 GLU N N 15 125.424 0.100 . 1 . . . . 37 Glu N . 18260 1 443 . 1 1 38 38 ASP H H 1 7.606 0.020 . 1 . . . . 38 Asp H . 18260 1 444 . 1 1 38 38 ASP HA H 1 4.499 0.020 . 1 . . . . 38 Asp HA . 18260 1 445 . 1 1 38 38 ASP HB2 H 1 2.644 0.020 . 2 . . . . 38 Asp HB2 . 18260 1 446 . 1 1 38 38 ASP HB3 H 1 2.490 0.020 . 2 . . . . 38 Asp HB3 . 18260 1 447 . 1 1 38 38 ASP C C 13 174.966 0.300 . 1 . . . . 38 Asp C . 18260 1 448 . 1 1 38 38 ASP CA C 13 53.156 0.300 . 1 . . . . 38 Asp CA . 18260 1 449 . 1 1 38 38 ASP CB C 13 40.547 0.300 . 1 . . . . 38 Asp CB . 18260 1 450 . 1 1 38 38 ASP N N 15 119.048 0.100 . 1 . . . . 38 Asp N . 18260 1 451 . 1 1 39 39 TYR H H 1 8.379 0.020 . 1 . . . . 39 Tyr H . 18260 1 452 . 1 1 39 39 TYR HA H 1 4.628 0.020 . 1 . . . . 39 Tyr HA . 18260 1 453 . 1 1 39 39 TYR HB2 H 1 3.327 0.020 . 2 . . . . 39 Tyr HB2 . 18260 1 454 . 1 1 39 39 TYR HB3 H 1 2.799 0.020 . 2 . . . . 39 Tyr HB3 . 18260 1 455 . 1 1 39 39 TYR C C 13 174.966 0.300 . 1 . . . . 39 Tyr C . 18260 1 456 . 1 1 39 39 TYR CA C 13 56.572 0.300 . 1 . . . . 39 Tyr CA . 18260 1 457 . 1 1 39 39 TYR CB C 13 38.437 0.300 . 1 . . . . 39 Tyr CB . 18260 1 458 . 1 1 39 39 TYR N N 15 124.337 0.100 . 1 . . . . 39 Tyr N . 18260 1 459 . 1 1 40 40 GLY H H 1 7.920 0.020 . 1 . . . . 40 Gly H . 18260 1 460 . 1 1 40 40 GLY HA2 H 1 4.059 0.020 . 2 . . . . 40 Gly HA2 . 18260 1 461 . 1 1 40 40 GLY HA3 H 1 3.828 0.020 . 2 . . . . 40 Gly HA3 . 18260 1 462 . 1 1 40 40 GLY C C 13 173.700 0.300 . 1 . . . . 40 Gly C . 18260 1 463 . 1 1 40 40 GLY CA C 13 44.616 0.300 . 1 . . . . 40 Gly CA . 18260 1 464 . 1 1 40 40 GLY N N 15 106.365 0.100 . 1 . . . . 40 Gly N . 18260 1 465 . 1 1 41 41 ASP H H 1 8.319 0.020 . 1 . . . . 41 Asp H . 18260 1 466 . 1 1 41 41 ASP HA H 1 4.757 0.020 . 1 . . . . 41 Asp HA . 18260 1 467 . 1 1 41 41 ASP HB2 H 1 2.838 0.020 . 2 . . . . 41 Asp HB2 . 18260 1 468 . 1 1 41 41 ASP HB3 H 1 2.747 0.020 . 2 . . . . 41 Asp HB3 . 18260 1 469 . 1 1 41 41 ASP C C 13 175.974 0.300 . 1 . . . . 41 Asp C . 18260 1 470 . 1 1 41 41 ASP CA C 13 54.185 0.300 . 1 . . . . 41 Asp CA . 18260 1 471 . 1 1 41 41 ASP CB C 13 40.999 0.300 . 1 . . . . 41 Asp CB . 18260 1 472 . 1 1 41 41 ASP N N 15 117.917 0.100 . 1 . . . . 41 Asp N . 18260 1 473 . 1 1 42 42 THR H H 1 7.738 0.020 . 1 . . . . 42 Thr H . 18260 1 474 . 1 1 42 42 THR HA H 1 4.033 0.020 . 1 . . . . 42 Thr HA . 18260 1 475 . 1 1 42 42 THR HB H 1 4.615 0.020 . 1 . . . . 42 Thr HB . 18260 1 476 . 1 1 42 42 THR HG21 H 1 1.289 0.020 . 1 . . . . 42 Thr HG21 . 18260 1 477 . 1 1 42 42 THR HG22 H 1 1.289 0.020 . 1 . . . . 42 Thr HG22 . 18260 1 478 . 1 1 42 42 THR HG23 H 1 1.289 0.020 . 1 . . . . 42 Thr HG23 . 18260 1 479 . 1 1 42 42 THR C C 13 174.623 0.300 . 1 . . . . 42 Thr C . 18260 1 480 . 1 1 42 42 THR CA C 13 59.353 0.300 . 1 . . . . 42 Thr CA . 18260 1 481 . 1 1 42 42 THR CB C 13 72.421 0.300 . 1 . . . . 42 Thr CB . 18260 1 482 . 1 1 42 42 THR CG2 C 13 21.784 0.300 . 1 . . . . 42 Thr CG2 . 18260 1 483 . 1 1 42 42 THR N N 15 109.890 0.100 . 1 . . . . 42 Thr N . 18260 1 484 . 1 1 43 43 LEU H H 1 8.745 0.020 . 1 . . . . 43 Leu H . 18260 1 485 . 1 1 43 43 LEU HA H 1 4.245 0.020 . 1 . . . . 43 Leu HA . 18260 1 486 . 1 1 43 43 LEU HB2 H 1 1.742 0.020 . 1 . . . . 43 Leu HB2 . 18260 1 487 . 1 1 43 43 LEU HB3 H 1 1.742 0.020 . 1 . . . . 43 Leu HB3 . 18260 1 488 . 1 1 43 43 LEU HD11 H 1 0.954 0.020 . 2 . . . . 43 Leu HD11 . 18260 1 489 . 1 1 43 43 LEU HD12 H 1 0.954 0.020 . 2 . . . . 43 Leu HD12 . 18260 1 490 . 1 1 43 43 LEU HD13 H 1 0.954 0.020 . 2 . . . . 43 Leu HD13 . 18260 1 491 . 1 1 43 43 LEU HD21 H 1 0.954 0.020 . 2 . . . . 43 Leu HD21 . 18260 1 492 . 1 1 43 43 LEU HD22 H 1 0.954 0.020 . 2 . . . . 43 Leu HD22 . 18260 1 493 . 1 1 43 43 LEU HD23 H 1 0.954 0.020 . 2 . . . . 43 Leu HD23 . 18260 1 494 . 1 1 43 43 LEU C C 13 178.931 0.300 . 1 . . . . 43 Leu C . 18260 1 495 . 1 1 43 43 LEU CA C 13 58.086 0.300 . 1 . . . . 43 Leu CA . 18260 1 496 . 1 1 43 43 LEU CB C 13 40.999 0.300 . 1 . . . . 43 Leu CB . 18260 1 497 . 1 1 43 43 LEU CG C 13 26.757 0.300 . 1 . . . . 43 Leu CG . 18260 1 498 . 1 1 43 43 LEU CD1 C 13 24.694 0.300 . 2 . . . . 43 Leu CD1 . 18260 1 499 . 1 1 43 43 LEU CD2 C 13 23.969 0.300 . 2 . . . . 43 Leu CD2 . 18260 1 500 . 1 1 43 43 LEU N N 15 122.584 0.100 . 1 . . . . 43 Leu N . 18260 1 501 . 1 1 44 44 ALA H H 1 8.420 0.020 . 1 . . . . 44 Ala H . 18260 1 502 . 1 1 44 44 ALA HA H 1 4.256 0.020 . 1 . . . . 44 Ala HA . 18260 1 503 . 1 1 44 44 ALA HB1 H 1 1.484 0.020 . 1 . . . . 44 Ala HB1 . 18260 1 504 . 1 1 44 44 ALA HB2 H 1 1.484 0.020 . 1 . . . . 44 Ala HB2 . 18260 1 505 . 1 1 44 44 ALA HB3 H 1 1.484 0.020 . 1 . . . . 44 Ala HB3 . 18260 1 506 . 1 1 44 44 ALA C C 13 180.756 0.300 . 1 . . . . 44 Ala C . 18260 1 507 . 1 1 44 44 ALA CA C 13 54.684 0.300 . 1 . . . . 44 Ala CA . 18260 1 508 . 1 1 44 44 ALA CB C 13 17.886 0.300 . 1 . . . . 44 Ala CB . 18260 1 509 . 1 1 44 44 ALA N N 15 119.826 0.100 . 1 . . . . 44 Ala N . 18260 1 510 . 1 1 45 45 ALA H H 1 8.078 0.020 . 1 . . . . 45 Ala H . 18260 1 511 . 1 1 45 45 ALA HA H 1 4.330 0.020 . 1 . . . . 45 Ala HA . 18260 1 512 . 1 1 45 45 ALA HB1 H 1 1.703 0.020 . 1 . . . . 45 Ala HB1 . 18260 1 513 . 1 1 45 45 ALA HB2 H 1 1.703 0.020 . 1 . . . . 45 Ala HB2 . 18260 1 514 . 1 1 45 45 ALA HB3 H 1 1.703 0.020 . 1 . . . . 45 Ala HB3 . 18260 1 515 . 1 1 45 45 ALA C C 13 180.908 0.300 . 1 . . . . 45 Ala C . 18260 1 516 . 1 1 45 45 ALA CA C 13 54.314 0.300 . 1 . . . . 45 Ala CA . 18260 1 517 . 1 1 45 45 ALA CB C 13 18.996 0.300 . 1 . . . . 45 Ala CB . 18260 1 518 . 1 1 45 45 ALA N N 15 121.692 0.100 . 1 . . . . 45 Ala N . 18260 1 519 . 1 1 46 46 ILE H H 1 8.371 0.020 . 1 . . . . 46 Ile H . 18260 1 520 . 1 1 46 46 ILE HA H 1 3.766 0.020 . 1 . . . . 46 Ile HA . 18260 1 521 . 1 1 46 46 ILE HB H 1 2.064 0.020 . 1 . . . . 46 Ile HB . 18260 1 522 . 1 1 46 46 ILE HG12 H 1 1.676 0.020 . 1 . . . . 46 Ile HG12 . 18260 1 523 . 1 1 46 46 ILE HG13 H 1 1.676 0.020 . 1 . . . . 46 Ile HG13 . 18260 1 524 . 1 1 46 46 ILE HG21 H 1 1.018 0.020 . 1 . . . . 46 Ile HG21 . 18260 1 525 . 1 1 46 46 ILE HG22 H 1 1.018 0.020 . 1 . . . . 46 Ile HG22 . 18260 1 526 . 1 1 46 46 ILE HG23 H 1 1.018 0.020 . 1 . . . . 46 Ile HG23 . 18260 1 527 . 1 1 46 46 ILE HD11 H 1 0.850 0.020 . 1 . . . . 46 Ile HD11 . 18260 1 528 . 1 1 46 46 ILE HD12 H 1 0.850 0.020 . 1 . . . . 46 Ile HD12 . 18260 1 529 . 1 1 46 46 ILE HD13 H 1 0.850 0.020 . 1 . . . . 46 Ile HD13 . 18260 1 530 . 1 1 46 46 ILE C C 13 177.991 0.300 . 1 . . . . 46 Ile C . 18260 1 531 . 1 1 46 46 ILE CA C 13 65.278 0.300 . 1 . . . . 46 Ile CA . 18260 1 532 . 1 1 46 46 ILE CB C 13 38.286 0.300 . 1 . . . . 46 Ile CB . 18260 1 533 . 1 1 46 46 ILE CG1 C 13 29.169 0.300 . 1 . . . . 46 Ile CG1 . 18260 1 534 . 1 1 46 46 ILE CG2 C 13 17.564 0.300 . 1 . . . . 46 Ile CG2 . 18260 1 535 . 1 1 46 46 ILE CD1 C 13 13.646 0.300 . 1 . . . . 46 Ile CD1 . 18260 1 536 . 1 1 46 46 ILE N N 15 120.466 0.100 . 1 . . . . 46 Ile N . 18260 1 537 . 1 1 47 47 GLN H H 1 8.489 0.020 . 1 . . . . 47 Gln H . 18260 1 538 . 1 1 47 47 GLN HA H 1 4.127 0.020 . 1 . . . . 47 Gln HA . 18260 1 539 . 1 1 47 47 GLN HB2 H 1 2.270 0.020 . 2 . . . . 47 Gln HB2 . 18260 1 540 . 1 1 47 47 GLN HB3 H 1 2.129 0.020 . 2 . . . . 47 Gln HB3 . 18260 1 541 . 1 1 47 47 GLN HG2 H 1 2.552 0.020 . 1 . . . . 47 Gln HG2 . 18260 1 542 . 1 1 47 47 GLN HG3 H 1 2.552 0.020 . 1 . . . . 47 Gln HG3 . 18260 1 543 . 1 1 47 47 GLN HE21 H 1 6.952 0.020 . 2 . . . . 47 Gln HE21 . 18260 1 544 . 1 1 47 47 GLN HE22 H 1 7.519 0.020 . 2 . . . . 47 Gln HE22 . 18260 1 545 . 1 1 47 47 GLN C C 13 179.814 0.300 . 1 . . . . 47 Gln C . 18260 1 546 . 1 1 47 47 GLN CA C 13 59.034 0.300 . 1 . . . . 47 Gln CA . 18260 1 547 . 1 1 47 47 GLN CB C 13 27.737 0.300 . 1 . . . . 47 Gln CB . 18260 1 548 . 1 1 47 47 GLN CG C 13 34.142 0.300 . 1 . . . . 47 Gln CG . 18260 1 549 . 1 1 47 47 GLN CD C 13 179.943 0.300 . 1 . . . . 47 Gln CD . 18260 1 550 . 1 1 47 47 GLN N N 15 118.334 0.100 . 1 . . . . 47 Gln N . 18260 1 551 . 1 1 47 47 GLN NE2 N 15 111.765 0.100 . 1 . . . . 47 Gln NE2 . 18260 1 552 . 1 1 48 48 GLY H H 1 8.130 0.020 . 1 . . . . 48 Gly H . 18260 1 553 . 1 1 48 48 GLY HA2 H 1 4.062 0.020 . 1 . . . . 48 Gly HA2 . 18260 1 554 . 1 1 48 48 GLY HA3 H 1 4.062 0.020 . 1 . . . . 48 Gly HA3 . 18260 1 555 . 1 1 48 48 GLY C C 13 176.854 0.300 . 1 . . . . 48 Gly C . 18260 1 556 . 1 1 48 48 GLY CA C 13 46.888 0.300 . 1 . . . . 48 Gly CA . 18260 1 557 . 1 1 48 48 GLY N N 15 106.986 0.100 . 1 . . . . 48 Gly N . 18260 1 558 . 1 1 49 49 LEU H H 1 8.255 0.020 . 1 . . . . 49 Leu H . 18260 1 559 . 1 1 49 49 LEU HA H 1 4.217 0.020 . 1 . . . . 49 Leu HA . 18260 1 560 . 1 1 49 49 LEU HB2 H 1 2.180 0.020 . 2 . . . . 49 Leu HB2 . 18260 1 561 . 1 1 49 49 LEU HB3 H 1 1.420 0.020 . 2 . . . . 49 Leu HB3 . 18260 1 562 . 1 1 49 49 LEU HG H 1 1.882 0.020 . 1 . . . . 49 Leu HG . 18260 1 563 . 1 1 49 49 LEU HD11 H 1 0.799 0.020 . 2 . . . . 49 Leu HD11 . 18260 1 564 . 1 1 49 49 LEU HD12 H 1 0.799 0.020 . 2 . . . . 49 Leu HD12 . 18260 1 565 . 1 1 49 49 LEU HD13 H 1 0.799 0.020 . 2 . . . . 49 Leu HD13 . 18260 1 566 . 1 1 49 49 LEU HD21 H 1 0.799 0.020 . 2 . . . . 49 Leu HD21 . 18260 1 567 . 1 1 49 49 LEU HD22 H 1 0.799 0.020 . 2 . . . . 49 Leu HD22 . 18260 1 568 . 1 1 49 49 LEU HD23 H 1 0.799 0.020 . 2 . . . . 49 Leu HD23 . 18260 1 569 . 1 1 49 49 LEU C C 13 181.208 0.300 . 1 . . . . 49 Leu C . 18260 1 570 . 1 1 49 49 LEU CA C 13 57.527 0.300 . 1 . . . . 49 Leu CA . 18260 1 571 . 1 1 49 49 LEU CB C 13 41.550 0.300 . 1 . . . . 49 Leu CB . 18260 1 572 . 1 1 49 49 LEU CG C 13 25.627 0.300 . 1 . . . . 49 Leu CG . 18260 1 573 . 1 1 49 49 LEU CD1 C 13 22.161 0.300 . 2 . . . . 49 Leu CD1 . 18260 1 574 . 1 1 49 49 LEU CD2 C 13 22.161 0.300 . 2 . . . . 49 Leu CD2 . 18260 1 575 . 1 1 49 49 LEU N N 15 123.512 0.100 . 1 . . . . 49 Leu N . 18260 1 576 . 1 1 50 50 LEU H H 1 8.882 0.020 . 1 . . . . 50 Leu H . 18260 1 577 . 1 1 50 50 LEU HA H 1 4.011 0.020 . 1 . . . . 50 Leu HA . 18260 1 578 . 1 1 50 50 LEU HB2 H 1 2.142 0.020 . 1 . . . . 50 Leu HB2 . 18260 1 579 . 1 1 50 50 LEU HB3 H 1 2.142 0.020 . 1 . . . . 50 Leu HB3 . 18260 1 580 . 1 1 50 50 LEU HG H 1 1.726 0.020 . 1 . . . . 50 Leu HG . 18260 1 581 . 1 1 50 50 LEU HD11 H 1 0.980 0.020 . 2 . . . . 50 Leu HD11 . 18260 1 582 . 1 1 50 50 LEU HD12 H 1 0.980 0.020 . 2 . . . . 50 Leu HD12 . 18260 1 583 . 1 1 50 50 LEU HD13 H 1 0.980 0.020 . 2 . . . . 50 Leu HD13 . 18260 1 584 . 1 1 50 50 LEU HD21 H 1 0.980 0.020 . 2 . . . . 50 Leu HD21 . 18260 1 585 . 1 1 50 50 LEU HD22 H 1 0.980 0.020 . 2 . . . . 50 Leu HD22 . 18260 1 586 . 1 1 50 50 LEU HD23 H 1 0.980 0.020 . 2 . . . . 50 Leu HD23 . 18260 1 587 . 1 1 50 50 LEU C C 13 179.621 0.300 . 1 . . . . 50 Leu C . 18260 1 588 . 1 1 50 50 LEU CA C 13 58.388 0.300 . 1 . . . . 50 Leu CA . 18260 1 589 . 1 1 50 50 LEU CB C 13 41.978 0.300 . 1 . . . . 50 Leu CB . 18260 1 590 . 1 1 50 50 LEU CG C 13 28.457 0.300 . 1 . . . . 50 Leu CG . 18260 1 591 . 1 1 50 50 LEU CD1 C 13 24.396 0.300 . 2 . . . . 50 Leu CD1 . 18260 1 592 . 1 1 50 50 LEU CD2 C 13 25.068 0.300 . 2 . . . . 50 Leu CD2 . 18260 1 593 . 1 1 50 50 LEU N N 15 124.079 0.100 . 1 . . . . 50 Leu N . 18260 1 594 . 1 1 51 51 LYS H H 1 7.941 0.020 . 1 . . . . 51 Lys H . 18260 1 595 . 1 1 51 51 LYS HA H 1 4.346 0.020 . 1 . . . . 51 Lys HA . 18260 1 596 . 1 1 51 51 LYS HB2 H 1 2.064 0.020 . 1 . . . . 51 Lys HB2 . 18260 1 597 . 1 1 51 51 LYS HB3 H 1 2.064 0.020 . 1 . . . . 51 Lys HB3 . 18260 1 598 . 1 1 51 51 LYS HD2 H 1 1.676 0.020 . 1 . . . . 51 Lys HD2 . 18260 1 599 . 1 1 51 51 LYS HD3 H 1 1.676 0.020 . 1 . . . . 51 Lys HD3 . 18260 1 600 . 1 1 51 51 LYS HE2 H 1 3.506 0.020 . 1 . . . . 51 Lys HE2 . 18260 1 601 . 1 1 51 51 LYS HE3 H 1 3.506 0.020 . 1 . . . . 51 Lys HE3 . 18260 1 602 . 1 1 51 51 LYS C C 13 180.415 0.300 . 1 . . . . 51 Lys C . 18260 1 603 . 1 1 51 51 LYS CA C 13 58.467 0.300 . 1 . . . . 51 Lys CA . 18260 1 604 . 1 1 51 51 LYS CB C 13 31.580 0.300 . 1 . . . . 51 Lys CB . 18260 1 605 . 1 1 51 51 LYS CG C 13 24.798 0.300 . 1 . . . . 51 Lys CG . 18260 1 606 . 1 1 51 51 LYS CD C 13 27.827 0.300 . 1 . . . . 51 Lys CD . 18260 1 607 . 1 1 51 51 LYS CE C 13 41.891 0.300 . 1 . . . . 51 Lys CE . 18260 1 608 . 1 1 51 51 LYS N N 15 120.537 0.100 . 1 . . . . 51 Lys N . 18260 1 609 . 1 1 52 52 LYS H H 1 8.059 0.020 . 1 . . . . 52 Lys H . 18260 1 610 . 1 1 52 52 LYS HA H 1 4.294 0.020 . 1 . . . . 52 Lys HA . 18260 1 611 . 1 1 52 52 LYS HB2 H 1 2.051 0.020 . 1 . . . . 52 Lys HB2 . 18260 1 612 . 1 1 52 52 LYS HB3 H 1 2.051 0.020 . 1 . . . . 52 Lys HB3 . 18260 1 613 . 1 1 52 52 LYS HG2 H 1 1.560 0.020 . 1 . . . . 52 Lys HG2 . 18260 1 614 . 1 1 52 52 LYS HG3 H 1 1.560 0.020 . 1 . . . . 52 Lys HG3 . 18260 1 615 . 1 1 52 52 LYS HD2 H 1 1.740 0.020 . 1 . . . . 52 Lys HD2 . 18260 1 616 . 1 1 52 52 LYS HD3 H 1 1.740 0.020 . 1 . . . . 52 Lys HD3 . 18260 1 617 . 1 1 52 52 LYS HE2 H 1 3.458 0.020 . 1 . . . . 52 Lys HE2 . 18260 1 618 . 1 1 52 52 LYS HE3 H 1 3.458 0.020 . 1 . . . . 52 Lys HE3 . 18260 1 619 . 1 1 52 52 LYS C C 13 179.793 0.300 . 1 . . . . 52 Lys C . 18260 1 620 . 1 1 52 52 LYS CA C 13 59.594 0.300 . 1 . . . . 52 Lys CA . 18260 1 621 . 1 1 52 52 LYS CB C 13 32.409 0.300 . 1 . . . . 52 Lys CB . 18260 1 622 . 1 1 52 52 LYS CG C 13 25.778 0.300 . 1 . . . . 52 Lys CG . 18260 1 623 . 1 1 52 52 LYS CD C 13 29.395 0.300 . 1 . . . . 52 Lys CD . 18260 1 624 . 1 1 52 52 LYS CE C 13 41.828 0.300 . 1 . . . . 52 Lys CE . 18260 1 625 . 1 1 52 52 LYS N N 15 120.08 0.100 . 1 . . . . 52 Lys N . 18260 1 626 . 1 1 53 53 HIS H H 1 8.560 0.020 . 1 . . . . 53 His H . 18260 1 627 . 1 1 53 53 HIS HA H 1 4.307 0.020 . 1 . . . . 53 His HA . 18260 1 628 . 1 1 53 53 HIS HB2 H 1 3.160 0.020 . 2 . . . . 53 His HB2 . 18260 1 629 . 1 1 53 53 HIS HB3 H 1 3.482 0.020 . 2 . . . . 53 His HB3 . 18260 1 630 . 1 1 53 53 HIS C C 13 177.143 0.300 . 1 . . . . 53 His C . 18260 1 631 . 1 1 53 53 HIS CA C 13 60.705 0.300 . 1 . . . . 53 His CA . 18260 1 632 . 1 1 53 53 HIS CB C 13 31.055 0.300 . 1 . . . . 53 His CB . 18260 1 633 . 1 1 53 53 HIS N N 15 122.845 0.100 . 1 . . . . 53 His N . 18260 1 634 . 1 1 54 54 GLU H H 1 8.427 0.020 . 1 . . . . 54 Glu H . 18260 1 635 . 1 1 54 54 GLU HA H 1 4.294 0.020 . 1 . . . . 54 Glu HA . 18260 1 636 . 1 1 54 54 GLU HB2 H 1 2.348 0.020 . 1 . . . . 54 Glu HB2 . 18260 1 637 . 1 1 54 54 GLU HB3 H 1 2.348 0.020 . 1 . . . . 54 Glu HB3 . 18260 1 638 . 1 1 54 54 GLU HG2 H 1 2.616 0.020 . 1 . . . . 54 Glu HG2 . 18260 1 639 . 1 1 54 54 GLU HG3 H 1 2.616 0.020 . 1 . . . . 54 Glu HG3 . 18260 1 640 . 1 1 54 54 GLU C C 13 179.192 0.300 . 1 . . . . 54 Glu C . 18260 1 641 . 1 1 54 54 GLU CA C 13 59.637 0.300 . 1 . . . . 54 Glu CA . 18260 1 642 . 1 1 54 54 GLU CB C 13 29.395 0.300 . 1 . . . . 54 Glu CB . 18260 1 643 . 1 1 54 54 GLU CG C 13 36.252 0.300 . 1 . . . . 54 Glu CG . 18260 1 644 . 1 1 54 54 GLU N N 15 119.631 0.100 . 1 . . . . 54 Glu N . 18260 1 645 . 1 1 55 55 ALA H H 1 7.803 0.020 . 1 . . . . 55 Ala H . 18260 1 646 . 1 1 55 55 ALA HA H 1 4.292 0.020 . 1 . . . . 55 Ala HA . 18260 1 647 . 1 1 55 55 ALA HB1 H 1 1.695 0.020 . 1 . . . . 55 Ala HB1 . 18260 1 648 . 1 1 55 55 ALA HB2 H 1 1.695 0.020 . 1 . . . . 55 Ala HB2 . 18260 1 649 . 1 1 55 55 ALA HB3 H 1 1.695 0.020 . 1 . . . . 55 Ala HB3 . 18260 1 650 . 1 1 55 55 ALA C C 13 180.565 0.300 . 1 . . . . 55 Ala C . 18260 1 651 . 1 1 55 55 ALA CA C 13 54.943 0.300 . 1 . . . . 55 Ala CA . 18260 1 652 . 1 1 55 55 ALA CB C 13 17.640 0.300 . 1 . . . . 55 Ala CB . 18260 1 653 . 1 1 55 55 ALA N N 15 121.625 0.100 . 1 . . . . 55 Ala N . 18260 1 654 . 1 1 56 56 PHE H H 1 7.900 0.020 . 1 . . . . 56 Phe H . 18260 1 655 . 1 1 56 56 PHE HA H 1 4.655 0.020 . 1 . . . . 56 Phe HA . 18260 1 656 . 1 1 56 56 PHE HB2 H 1 3.315 0.020 . 1 . . . . 56 Phe HB2 . 18260 1 657 . 1 1 56 56 PHE HB3 H 1 3.315 0.020 . 1 . . . . 56 Phe HB3 . 18260 1 658 . 1 1 56 56 PHE HD1 H 1 6.921 0.020 . 3 . . . . 56 Phe HD1 . 18260 1 659 . 1 1 56 56 PHE HD2 H 1 6.921 0.020 . 3 . . . . 56 Phe HD2 . 18260 1 660 . 1 1 56 56 PHE C C 13 176.489 0.300 . 1 . . . . 56 Phe C . 18260 1 661 . 1 1 56 56 PHE CA C 13 60.584 0.300 . 1 . . . . 56 Phe CA . 18260 1 662 . 1 1 56 56 PHE CB C 13 36.930 0.300 . 1 . . . . 56 Phe CB . 18260 1 663 . 1 1 56 56 PHE CD1 C 13 130.278 0.300 . 3 . . . . 56 Phe CD1 . 18260 1 664 . 1 1 56 56 PHE CD2 C 13 130.278 0.300 . 3 . . . . 56 Phe CD2 . 18260 1 665 . 1 1 56 56 PHE N N 15 120.659 0.100 . 1 . . . . 56 Phe N . 18260 1 666 . 1 1 57 57 GLU H H 1 8.639 0.020 . 1 . . . . 57 Glu H . 18260 1 667 . 1 1 57 57 GLU HA H 1 3.688 0.020 . 1 . . . . 57 Glu HA . 18260 1 668 . 1 1 57 57 GLU HB2 H 1 2.090 0.020 . 2 . . . . 57 Glu HB2 . 18260 1 669 . 1 1 57 57 GLU HB3 H 1 2.322 0.020 . 2 . . . . 57 Glu HB3 . 18260 1 670 . 1 1 57 57 GLU HG2 H 1 2.526 0.020 . 1 . . . . 57 Glu HG2 . 18260 1 671 . 1 1 57 57 GLU HG3 H 1 2.526 0.020 . 1 . . . . 57 Glu HG3 . 18260 1 672 . 1 1 57 57 GLU C C 13 179.943 0.300 . 1 . . . . 57 Glu C . 18260 1 673 . 1 1 57 57 GLU CA C 13 59.891 0.300 . 1 . . . . 57 Glu CA . 18260 1 674 . 1 1 57 57 GLU CB C 13 29.169 0.300 . 1 . . . . 57 Glu CB . 18260 1 675 . 1 1 57 57 GLU CG C 13 36.628 0.300 . 1 . . . . 57 Glu CG . 18260 1 676 . 1 1 57 57 GLU N N 15 121.320 0.100 . 1 . . . . 57 Glu N . 18260 1 677 . 1 1 58 58 THR H H 1 8.027 0.020 . 1 . . . . 58 Thr H . 18260 1 678 . 1 1 58 58 THR HA H 1 4.062 0.020 . 1 . . . . 58 Thr HA . 18260 1 679 . 1 1 58 58 THR HB H 1 4.436 0.020 . 1 . . . . 58 Thr HB . 18260 1 680 . 1 1 58 58 THR HG21 H 1 1.315 0.020 . 1 . . . . 58 Thr HG21 . 18260 1 681 . 1 1 58 58 THR HG22 H 1 1.315 0.020 . 1 . . . . 58 Thr HG22 . 18260 1 682 . 1 1 58 58 THR HG23 H 1 1.315 0.020 . 1 . . . . 58 Thr HG23 . 18260 1 683 . 1 1 58 58 THR C C 13 176.489 0.300 . 1 . . . . 58 Thr C . 18260 1 684 . 1 1 58 58 THR CA C 13 66.544 0.300 . 1 . . . . 58 Thr CA . 18260 1 685 . 1 1 58 58 THR CB C 13 68.578 0.300 . 1 . . . . 58 Thr CB . 18260 1 686 . 1 1 58 58 THR CG2 C 13 21.709 0.300 . 1 . . . . 58 Thr CG2 . 18260 1 687 . 1 1 58 58 THR N N 15 116.434 0.100 . 1 . . . . 58 Thr N . 18260 1 688 . 1 1 59 59 ASP H H 1 7.698 0.020 . 1 . . . . 59 Asp H . 18260 1 689 . 1 1 59 59 ASP HA H 1 4.629 0.020 . 1 . . . . 59 Asp HA . 18260 1 690 . 1 1 59 59 ASP HB2 H 1 3.121 0.020 . 1 . . . . 59 Asp HB2 . 18260 1 691 . 1 1 59 59 ASP HB3 H 1 3.121 0.020 . 1 . . . . 59 Asp HB3 . 18260 1 692 . 1 1 59 59 ASP C C 13 178.656 0.300 . 1 . . . . 59 Asp C . 18260 1 693 . 1 1 59 59 ASP CA C 13 56.823 0.300 . 1 . . . . 59 Asp CA . 18260 1 694 . 1 1 59 59 ASP CB C 13 41.300 0.300 . 1 . . . . 59 Asp CB . 18260 1 695 . 1 1 59 59 ASP N N 15 123.391 0.100 . 1 . . . . 59 Asp N . 18260 1 696 . 1 1 60 60 PHE H H 1 9.537 0.020 . 1 . . . . 60 Phe H . 18260 1 697 . 1 1 60 60 PHE HA H 1 4.836 0.020 . 1 . . . . 60 Phe HA . 18260 1 698 . 1 1 60 60 PHE HB2 H 1 3.237 0.020 . 2 . . . . 60 Phe HB2 . 18260 1 699 . 1 1 60 60 PHE HB3 H 1 2.722 0.020 . 2 . . . . 60 Phe HB3 . 18260 1 700 . 1 1 60 60 PHE C C 13 178.004 0.300 . 1 . . . . 60 Phe C . 18260 1 701 . 1 1 60 60 PHE CA C 13 56.536 0.300 . 1 . . . . 60 Phe CA . 18260 1 702 . 1 1 60 60 PHE CB C 13 37.156 0.300 . 1 . . . . 60 Phe CB . 18260 1 703 . 1 1 60 60 PHE N N 15 121.007 0.100 . 1 . . . . 60 Phe N . 18260 1 704 . 1 1 61 61 THR H H 1 8.222 0.020 . 1 . . . . 61 Thr H . 18260 1 705 . 1 1 61 61 THR HA H 1 3.585 0.020 . 1 . . . . 61 Thr HA . 18260 1 706 . 1 1 61 61 THR HB H 1 4.423 0.020 . 1 . . . . 61 Thr HB . 18260 1 707 . 1 1 61 61 THR HG21 H 1 1.224 0.020 . 1 . . . . 61 Thr HG21 . 18260 1 708 . 1 1 61 61 THR HG22 H 1 1.224 0.020 . 1 . . . . 61 Thr HG22 . 18260 1 709 . 1 1 61 61 THR HG23 H 1 1.224 0.020 . 1 . . . . 61 Thr HG23 . 18260 1 710 . 1 1 61 61 THR C C 13 175.695 0.300 . 1 . . . . 61 Thr C . 18260 1 711 . 1 1 61 61 THR CA C 13 67.523 0.300 . 1 . . . . 61 Thr CA . 18260 1 712 . 1 1 61 61 THR CB C 13 68.379 0.300 . 1 . . . . 61 Thr CB . 18260 1 713 . 1 1 61 61 THR CG2 C 13 21.784 0.300 . 1 . . . . 61 Thr CG2 . 18260 1 714 . 1 1 61 61 THR N N 15 116.559 0.100 . 1 . . . . 61 Thr N . 18260 1 715 . 1 1 62 62 VAL H H 1 7.028 0.020 . 1 . . . . 62 Val H . 18260 1 716 . 1 1 62 62 VAL HA H 1 3.814 0.020 . 1 . . . . 62 Val HA . 18260 1 717 . 1 1 62 62 VAL HB H 1 2.280 0.020 . 1 . . . . 62 Val HB . 18260 1 718 . 1 1 62 62 VAL HG11 H 1 1.070 0.020 . 2 . . . . 62 Val HG11 . 18260 1 719 . 1 1 62 62 VAL HG12 H 1 1.070 0.020 . 2 . . . . 62 Val HG12 . 18260 1 720 . 1 1 62 62 VAL HG13 H 1 1.070 0.020 . 2 . . . . 62 Val HG13 . 18260 1 721 . 1 1 62 62 VAL HG21 H 1 0.644 0.020 . 2 . . . . 62 Val HG21 . 18260 1 722 . 1 1 62 62 VAL HG22 H 1 0.644 0.020 . 2 . . . . 62 Val HG22 . 18260 1 723 . 1 1 62 62 VAL HG23 H 1 0.644 0.020 . 2 . . . . 62 Val HG23 . 18260 1 724 . 1 1 62 62 VAL C C 13 179.750 0.300 . 1 . . . . 62 Val C . 18260 1 725 . 1 1 62 62 VAL CA C 13 66.091 0.300 . 1 . . . . 62 Val CA . 18260 1 726 . 1 1 62 62 VAL CB C 13 30.977 0.300 . 1 . . . . 62 Val CB . 18260 1 727 . 1 1 62 62 VAL CG1 C 13 20.428 0.300 . 2 . . . . 62 Val CG1 . 18260 1 728 . 1 1 62 62 VAL CG2 C 13 22.010 0.300 . 2 . . . . 62 Val CG2 . 18260 1 729 . 1 1 62 62 VAL N N 15 120.528 0.100 . 1 . . . . 62 Val N . 18260 1 730 . 1 1 63 63 HIS H H 1 7.851 0.020 . 1 . . . . 63 His H . 18260 1 731 . 1 1 63 63 HIS HA H 1 3.804 0.020 . 1 . . . . 63 His HA . 18260 1 732 . 1 1 63 63 HIS HB2 H 1 2.902 0.020 . 2 . . . . 63 His HB2 . 18260 1 733 . 1 1 63 63 HIS HB3 H 1 2.541 0.020 . 2 . . . . 63 His HB3 . 18260 1 734 . 1 1 63 63 HIS HD2 H 1 7.120 0.020 . 1 . . . . 63 His HD2 . 18260 1 735 . 1 1 63 63 HIS C C 13 176.661 0.300 . 1 . . . . 63 His C . 18260 1 736 . 1 1 63 63 HIS CA C 13 60.277 0.300 . 1 . . . . 63 His CA . 18260 1 737 . 1 1 63 63 HIS CB C 13 27.360 0.300 . 1 . . . . 63 His CB . 18260 1 738 . 1 1 63 63 HIS CD2 C 13 117.967 0.300 . 1 . . . . 63 His CD2 . 18260 1 739 . 1 1 63 63 HIS N N 15 118.587 0.100 . 1 . . . . 63 His N . 18260 1 740 . 1 1 64 64 LYS H H 1 9.097 0.020 . 1 . . . . 64 Lys H . 18260 1 741 . 1 1 64 64 LYS HA H 1 3.843 0.020 . 1 . . . . 64 Lys HA . 18260 1 742 . 1 1 64 64 LYS HB2 H 1 1.768 0.020 . 1 . . . . 64 Lys HB2 . 18260 1 743 . 1 1 64 64 LYS HB3 H 1 1.768 0.020 . 1 . . . . 64 Lys HB3 . 18260 1 744 . 1 1 64 64 LYS HG2 H 1 1.096 0.020 . 1 . . . . 64 Lys HG2 . 18260 1 745 . 1 1 64 64 LYS HG3 H 1 1.096 0.020 . 1 . . . . 64 Lys HG3 . 18260 1 746 . 1 1 64 64 LYS HD2 H 1 1.199 0.020 . 1 . . . . 64 Lys HD2 . 18260 1 747 . 1 1 64 64 LYS HD3 H 1 1.199 0.020 . 1 . . . . 64 Lys HD3 . 18260 1 748 . 1 1 64 64 LYS HE2 H 1 2.751 0.020 . 1 . . . . 64 Lys HE2 . 18260 1 749 . 1 1 64 64 LYS HE3 H 1 3.554 0.020 . 1 . . . . 64 Lys HE3 . 18260 1 750 . 1 1 64 64 LYS C C 13 179.321 0.300 . 1 . . . . 64 Lys C . 18260 1 751 . 1 1 64 64 LYS CA C 13 60.920 0.300 . 1 . . . . 64 Lys CA . 18260 1 752 . 1 1 64 64 LYS CB C 13 31.881 0.300 . 1 . . . . 64 Lys CB . 18260 1 753 . 1 1 64 64 LYS CG C 13 26.381 0.300 . 1 . . . . 64 Lys CG . 18260 1 754 . 1 1 64 64 LYS CD C 13 29.258 0.300 . 1 . . . . 64 Lys CD . 18260 1 755 . 1 1 64 64 LYS CE C 13 40.396 0.300 . 1 . . . . 64 Lys CE . 18260 1 756 . 1 1 64 64 LYS N N 15 122.184 0.100 . 1 . . . . 64 Lys N . 18260 1 757 . 1 1 65 65 ASP H H 1 7.408 0.020 . 1 . . . . 65 Asp H . 18260 1 758 . 1 1 65 65 ASP HA H 1 4.537 0.020 . 1 . . . . 65 Asp HA . 18260 1 759 . 1 1 65 65 ASP HB2 H 1 2.812 0.020 . 1 . . . . 65 Asp HB2 . 18260 1 760 . 1 1 65 65 ASP HB3 H 1 2.812 0.020 . 1 . . . . 65 Asp HB3 . 18260 1 761 . 1 1 65 65 ASP C C 13 178.506 0.300 . 1 . . . . 65 Asp C . 18260 1 762 . 1 1 65 65 ASP CA C 13 57.231 0.300 . 1 . . . . 65 Asp CA . 18260 1 763 . 1 1 65 65 ASP CB C 13 39.492 0.300 . 1 . . . . 65 Asp CB . 18260 1 764 . 1 1 65 65 ASP N N 15 119.752 0.100 . 1 . . . . 65 Asp N . 18260 1 765 . 1 1 66 66 ARG H H 1 7.750 0.020 . 1 . . . . 66 Arg H . 18260 1 766 . 1 1 66 66 ARG HA H 1 4.033 0.020 . 1 . . . . 66 Arg HA . 18260 1 767 . 1 1 66 66 ARG HB3 H 1 1.871 0.020 . 1 . . . . 66 Arg HB3 . 18260 1 768 . 1 1 66 66 ARG HG2 H 1 1.585 0.020 . 1 . . . . 66 Arg HG2 . 18260 1 769 . 1 1 66 66 ARG HG3 H 1 1.585 0.020 . 1 . . . . 66 Arg HG3 . 18260 1 770 . 1 1 66 66 ARG HD2 H 1 3.346 0.020 . 1 . . . . 66 Arg HD2 . 18260 1 771 . 1 1 66 66 ARG HD3 H 1 3.346 0.020 . 1 . . . . 66 Arg HD3 . 18260 1 772 . 1 1 66 66 ARG C C 13 179.471 0.300 . 1 . . . . 66 Arg C . 18260 1 773 . 1 1 66 66 ARG CA C 13 59.292 0.300 . 1 . . . . 66 Arg CA . 18260 1 774 . 1 1 66 66 ARG CB C 13 29.093 0.300 . 1 . . . . 66 Arg CB . 18260 1 775 . 1 1 66 66 ARG CG C 13 27.662 0.300 . 1 . . . . 66 Arg CG . 18260 1 776 . 1 1 66 66 ARG CD C 13 42.883 0.300 . 1 . . . . 66 Arg CD . 18260 1 777 . 1 1 66 66 ARG N N 15 120.995 0.100 . 1 . . . . 66 Arg N . 18260 1 778 . 1 1 67 67 VAL H H 1 9.009 0.020 . 1 . . . . 67 Val H . 18260 1 779 . 1 1 67 67 VAL HA H 1 3.857 0.020 . 1 . . . . 67 Val HA . 18260 1 780 . 1 1 67 67 VAL HB H 1 2.370 0.020 . 1 . . . . 67 Val HB . 18260 1 781 . 1 1 67 67 VAL HG11 H 1 1.224 0.020 . 2 . . . . 67 Val HG11 . 18260 1 782 . 1 1 67 67 VAL HG12 H 1 1.224 0.020 . 2 . . . . 67 Val HG12 . 18260 1 783 . 1 1 67 67 VAL HG13 H 1 1.224 0.020 . 2 . . . . 67 Val HG13 . 18260 1 784 . 1 1 67 67 VAL HG21 H 1 1.018 0.020 . 2 . . . . 67 Val HG21 . 18260 1 785 . 1 1 67 67 VAL HG22 H 1 1.018 0.020 . 2 . . . . 67 Val HG22 . 18260 1 786 . 1 1 67 67 VAL HG23 H 1 1.018 0.020 . 2 . . . . 67 Val HG23 . 18260 1 787 . 1 1 67 67 VAL C C 13 178.141 0.300 . 1 . . . . 67 Val C . 18260 1 788 . 1 1 67 67 VAL CA C 13 67.673 0.300 . 1 . . . . 67 Val CA . 18260 1 789 . 1 1 67 67 VAL CB C 13 30.977 0.300 . 1 . . . . 67 Val CB . 18260 1 790 . 1 1 67 67 VAL CG1 C 13 23.969 0.300 . 2 . . . . 67 Val CG1 . 18260 1 791 . 1 1 67 67 VAL CG2 C 13 21.106 0.300 . 2 . . . . 67 Val CG2 . 18260 1 792 . 1 1 67 67 VAL N N 15 120.648 0.100 . 1 . . . . 67 Val N . 18260 1 793 . 1 1 68 68 ASN H H 1 8.074 0.020 . 1 . . . . 68 Asn H . 18260 1 794 . 1 1 68 68 ASN HA H 1 4.565 0.020 . 1 . . . . 68 Asn HA . 18260 1 795 . 1 1 68 68 ASN HB2 H 1 2.967 0.020 . 2 . . . . 68 Asn HB2 . 18260 1 796 . 1 1 68 68 ASN HB3 H 1 3.160 0.020 . 2 . . . . 68 Asn HB3 . 18260 1 797 . 1 1 68 68 ASN HD21 H 1 6.816 0.020 . 2 . . . . 68 Asn HD21 . 18260 1 798 . 1 1 68 68 ASN HD22 H 1 7.914 0.020 . 2 . . . . 68 Asn HD22 . 18260 1 799 . 1 1 68 68 ASN C C 13 178.527 0.300 . 1 . . . . 68 Asn C . 18260 1 800 . 1 1 68 68 ASN CA C 13 56.493 0.300 . 1 . . . . 68 Asn CA . 18260 1 801 . 1 1 68 68 ASN CB C 13 36.930 0.300 . 1 . . . . 68 Asn CB . 18260 1 802 . 1 1 68 68 ASN CG C 13 175.91 0.300 . 1 . . . . 68 Asn CG . 18260 1 803 . 1 1 68 68 ASN N N 15 119.704 0.100 . 1 . . . . 68 Asn N . 18260 1 804 . 1 1 68 68 ASN ND2 N 15 112.588 0.100 . 1 . . . . 68 Asn ND2 . 18260 1 805 . 1 1 69 69 ASP H H 1 8.127 0.020 . 1 . . . . 69 Asp H . 18260 1 806 . 1 1 69 69 ASP HA H 1 4.578 0.020 . 1 . . . . 69 Asp HA . 18260 1 807 . 1 1 69 69 ASP HB2 H 1 3.018 0.020 . 2 . . . . 69 Asp HB2 . 18260 1 808 . 1 1 69 69 ASP HB3 H 1 2.838 0.020 . 2 . . . . 69 Asp HB3 . 18260 1 809 . 1 1 69 69 ASP C C 13 178.806 0.300 . 1 . . . . 69 Asp C . 18260 1 810 . 1 1 69 69 ASP CA C 13 57.742 0.300 . 1 . . . . 69 Asp CA . 18260 1 811 . 1 1 69 69 ASP CB C 13 40.170 0.300 . 1 . . . . 69 Asp CB . 18260 1 812 . 1 1 69 69 ASP N N 15 123.366 0.100 . 1 . . . . 69 Asp N . 18260 1 813 . 1 1 70 70 VAL H H 1 8.773 0.020 . 1 . . . . 70 Val H . 18260 1 814 . 1 1 70 70 VAL HA H 1 4.114 0.020 . 1 . . . . 70 Val HA . 18260 1 815 . 1 1 70 70 VAL HB H 1 2.335 0.020 . 1 . . . . 70 Val HB . 18260 1 816 . 1 1 70 70 VAL HG11 H 1 1.057 0.020 . 2 . . . . 70 Val HG11 . 18260 1 817 . 1 1 70 70 VAL HG12 H 1 1.057 0.020 . 2 . . . . 70 Val HG12 . 18260 1 818 . 1 1 70 70 VAL HG13 H 1 1.057 0.020 . 2 . . . . 70 Val HG13 . 18260 1 819 . 1 1 70 70 VAL HG21 H 1 0.941 0.020 . 2 . . . . 70 Val HG21 . 18260 1 820 . 1 1 70 70 VAL HG22 H 1 0.941 0.020 . 2 . . . . 70 Val HG22 . 18260 1 821 . 1 1 70 70 VAL HG23 H 1 0.941 0.020 . 2 . . . . 70 Val HG23 . 18260 1 822 . 1 1 70 70 VAL C C 13 179.278 0.300 . 1 . . . . 70 Val C . 18260 1 823 . 1 1 70 70 VAL CA C 13 66.139 0.300 . 1 . . . . 70 Val CA . 18260 1 824 . 1 1 70 70 VAL CB C 13 31.881 0.300 . 1 . . . . 70 Val CB . 18260 1 825 . 1 1 70 70 VAL CG1 C 13 24.045 0.300 . 2 . . . . 70 Val CG1 . 18260 1 826 . 1 1 70 70 VAL CG2 C 13 22.839 0.300 . 2 . . . . 70 Val CG2 . 18260 1 827 . 1 1 70 70 VAL N N 15 123.275 0.100 . 1 . . . . 70 Val N . 18260 1 828 . 1 1 71 71 CYS H H 1 8.735 0.020 . 1 . . . . 71 Cys H . 18260 1 829 . 1 1 71 71 CYS HA H 1 4.537 0.020 . 1 . . . . 71 Cys HA . 18260 1 830 . 1 1 71 71 CYS HB2 H 1 3.145 0.020 . 1 . . . . 71 Cys HB2 . 18260 1 831 . 1 1 71 71 CYS HB3 H 1 3.145 0.020 . 1 . . . . 71 Cys HB3 . 18260 1 832 . 1 1 71 71 CYS C C 13 179.471 0.300 . 1 . . . . 71 Cys C . 18260 1 833 . 1 1 71 71 CYS CA C 13 64.718 0.300 . 1 . . . . 71 Cys CA . 18260 1 834 . 1 1 71 71 CYS CB C 13 26.230 0.300 . 1 . . . . 71 Cys CB . 18260 1 835 . 1 1 71 71 CYS N N 15 118.195 0.100 . 1 . . . . 71 Cys N . 18260 1 836 . 1 1 72 72 ALA H H 1 8.278 0.020 . 1 . . . . 72 Ala H . 18260 1 837 . 1 1 72 72 ALA HA H 1 4.230 0.020 . 1 . . . . 72 Ala HA . 18260 1 838 . 1 1 72 72 ALA HB1 H 1 1.626 0.020 . 1 . . . . 72 Ala HB1 . 18260 1 839 . 1 1 72 72 ALA HB2 H 1 1.626 0.020 . 1 . . . . 72 Ala HB2 . 18260 1 840 . 1 1 72 72 ALA HB3 H 1 1.626 0.020 . 1 . . . . 72 Ala HB3 . 18260 1 841 . 1 1 72 72 ALA C C 13 180.779 0.300 . 1 . . . . 72 Ala C . 18260 1 842 . 1 1 72 72 ALA CA C 13 55.287 0.300 . 1 . . . . 72 Ala CA . 18260 1 843 . 1 1 72 72 ALA CB C 13 17.263 0.300 . 1 . . . . 72 Ala CB . 18260 1 844 . 1 1 72 72 ALA N N 15 123.612 0.100 . 1 . . . . 72 Ala N . 18260 1 845 . 1 1 73 73 ASN H H 1 8.124 0.020 . 1 . . . . 73 Asn H . 18260 1 846 . 1 1 73 73 ASN HA H 1 4.668 0.020 . 1 . . . . 73 Asn HA . 18260 1 847 . 1 1 73 73 ASN HB2 H 1 3.305 0.020 . 1 . . . . 73 Asn HB2 . 18260 1 848 . 1 1 73 73 ASN HB3 H 1 3.305 0.020 . 1 . . . . 73 Asn HB3 . 18260 1 849 . 1 1 73 73 ASN HD21 H 1 7.870 0.020 . 2 . . . . 73 Asn HD21 . 18260 1 850 . 1 1 73 73 ASN HD22 H 1 7.021 0.020 . 2 . . . . 73 Asn HD22 . 18260 1 851 . 1 1 73 73 ASN C C 13 177.948 0.300 . 1 . . . . 73 Asn C . 18260 1 852 . 1 1 73 73 ASN CA C 13 56.159 0.300 . 1 . . . . 73 Asn CA . 18260 1 853 . 1 1 73 73 ASN CB C 13 38.572 0.300 . 1 . . . . 73 Asn CB . 18260 1 854 . 1 1 73 73 ASN CG C 13 175.867 0.300 . 1 . . . . 73 Asn CG . 18260 1 855 . 1 1 73 73 ASN N N 15 118.259 0.100 . 1 . . . . 73 Asn N . 18260 1 856 . 1 1 73 73 ASN ND2 N 15 111.270 0.100 . 1 . . . . 73 Asn ND2 . 18260 1 857 . 1 1 74 74 GLY H H 1 8.738 0.020 . 1 . . . . 74 Gly H . 18260 1 858 . 1 1 74 74 GLY HA2 H 1 3.869 0.020 . 1 . . . . 74 Gly HA2 . 18260 1 859 . 1 1 74 74 GLY HA3 H 1 3.869 0.020 . 1 . . . . 74 Gly HA3 . 18260 1 860 . 1 1 74 74 GLY C C 13 175.181 0.300 . 1 . . . . 74 Gly C . 18260 1 861 . 1 1 74 74 GLY CA C 13 48.526 0.300 . 1 . . . . 74 Gly CA . 18260 1 862 . 1 1 74 74 GLY N N 15 108.762 0.100 . 1 . . . . 74 Gly N . 18260 1 863 . 1 1 75 75 GLU H H 1 8.489 0.020 . 1 . . . . 75 Glu H . 18260 1 864 . 1 1 75 75 GLU HA H 1 3.970 0.020 . 1 . . . . 75 Glu HA . 18260 1 865 . 1 1 75 75 GLU HB2 H 1 2.217 0.020 . 1 . . . . 75 Glu HB2 . 18260 1 866 . 1 1 75 75 GLU HB3 H 1 2.217 0.020 . 1 . . . . 75 Glu HB3 . 18260 1 867 . 1 1 75 75 GLU HG2 H 1 2.539 0.020 . 2 . . . . 75 Glu HG2 . 18260 1 868 . 1 1 75 75 GLU HG3 H 1 2.539 0.020 . 2 . . . . 75 Glu HG3 . 18260 1 869 . 1 1 75 75 GLU C C 13 179.664 0.300 . 1 . . . . 75 Glu C . 18260 1 870 . 1 1 75 75 GLU CA C 13 59.680 0.300 . 1 . . . . 75 Glu CA . 18260 1 871 . 1 1 75 75 GLU CB C 13 28.867 0.300 . 1 . . . . 75 Glu CB . 18260 1 872 . 1 1 75 75 GLU CG C 13 36.252 0.300 . 1 . . . . 75 Glu CG . 18260 1 873 . 1 1 75 75 GLU N N 15 120.131 0.100 . 1 . . . . 75 Glu N . 18260 1 874 . 1 1 76 76 ASP H H 1 7.961 0.020 . 1 . . . . 76 Asp H . 18260 1 875 . 1 1 76 76 ASP HA H 1 4.488 0.020 . 1 . . . . 76 Asp HA . 18260 1 876 . 1 1 76 76 ASP HB2 H 1 2.902 0.020 . 1 . . . . 76 Asp HB2 . 18260 1 877 . 1 1 76 76 ASP HB3 H 1 2.902 0.020 . 1 . . . . 76 Asp HB3 . 18260 1 878 . 1 1 76 76 ASP C C 13 178.527 0.300 . 1 . . . . 76 Asp C . 18260 1 879 . 1 1 76 76 ASP CA C 13 57.613 0.300 . 1 . . . . 76 Asp CA . 18260 1 880 . 1 1 76 76 ASP CB C 13 40.773 0.300 . 1 . . . . 76 Asp CB . 18260 1 881 . 1 1 76 76 ASP N N 15 121.076 0.100 . 1 . . . . 76 Asp N . 18260 1 882 . 1 1 77 77 LEU H H 1 8.146 0.020 . 1 . . . . 77 Leu H . 18260 1 883 . 1 1 77 77 LEU HA H 1 3.959 0.020 . 1 . . . . 77 Leu HA . 18260 1 884 . 1 1 77 77 LEU HB2 H 1 2.129 0.020 . 1 . . . . 77 Leu HB2 . 18260 1 885 . 1 1 77 77 LEU HB3 H 1 2.129 0.020 . 1 . . . . 77 Leu HB3 . 18260 1 886 . 1 1 77 77 LEU HD11 H 1 1.010 0.020 . 2 . . . . 77 Leu HD11 . 18260 1 887 . 1 1 77 77 LEU HD12 H 1 1.010 0.020 . 2 . . . . 77 Leu HD12 . 18260 1 888 . 1 1 77 77 LEU HD13 H 1 1.010 0.020 . 2 . . . . 77 Leu HD13 . 18260 1 889 . 1 1 77 77 LEU HD21 H 1 1.010 0.020 . 2 . . . . 77 Leu HD21 . 18260 1 890 . 1 1 77 77 LEU HD22 H 1 1.010 0.020 . 2 . . . . 77 Leu HD22 . 18260 1 891 . 1 1 77 77 LEU HD23 H 1 1.010 0.020 . 2 . . . . 77 Leu HD23 . 18260 1 892 . 1 1 77 77 LEU C C 13 179.943 0.300 . 1 . . . . 77 Leu C . 18260 1 893 . 1 1 77 77 LEU CA C 13 58.086 0.300 . 1 . . . . 77 Leu CA . 18260 1 894 . 1 1 77 77 LEU CB C 13 41.376 0.300 . 1 . . . . 77 Leu CB . 18260 1 895 . 1 1 77 77 LEU CG C 13 26.079 0.300 . 1 . . . . 77 Leu CG . 18260 1 896 . 1 1 77 77 LEU CD1 C 13 25.326 0.300 . 2 . . . . 77 Leu CD1 . 18260 1 897 . 1 1 77 77 LEU CD2 C 13 23.442 0.300 . 2 . . . . 77 Leu CD2 . 18260 1 898 . 1 1 77 77 LEU N N 15 119.165 0.100 . 1 . . . . 77 Leu N . 18260 1 899 . 1 1 78 78 ILE H H 1 7.981 0.020 . 1 . . . . 78 Ile H . 18260 1 900 . 1 1 78 78 ILE HA H 1 3.582 0.020 . 1 . . . . 78 Ile HA . 18260 1 901 . 1 1 78 78 ILE HB H 1 1.855 0.020 . 1 . . . . 78 Ile HB . 18260 1 902 . 1 1 78 78 ILE HG21 H 1 0.862 0.020 . 1 . . . . 78 Ile HG21 . 18260 1 903 . 1 1 78 78 ILE HG22 H 1 0.862 0.020 . 1 . . . . 78 Ile HG22 . 18260 1 904 . 1 1 78 78 ILE HG23 H 1 0.862 0.020 . 1 . . . . 78 Ile HG23 . 18260 1 905 . 1 1 78 78 ILE HD11 H 1 0.656 0.020 . 1 . . . . 78 Ile HD11 . 18260 1 906 . 1 1 78 78 ILE HD12 H 1 0.656 0.020 . 1 . . . . 78 Ile HD12 . 18260 1 907 . 1 1 78 78 ILE HD13 H 1 0.656 0.020 . 1 . . . . 78 Ile HD13 . 18260 1 908 . 1 1 78 78 ILE CA C 13 65.795 0.300 . 1 . . . . 78 Ile CA . 18260 1 909 . 1 1 78 78 ILE CB C 13 37.759 0.300 . 1 . . . . 78 Ile CB . 18260 1 910 . 1 1 78 78 ILE CG1 C 13 29.470 0.300 . 1 . . . . 78 Ile CG1 . 18260 1 911 . 1 1 78 78 ILE CG2 C 13 17.112 0.300 . 1 . . . . 78 Ile CG2 . 18260 1 912 . 1 1 78 78 ILE CD1 C 13 14.174 0.300 . 1 . . . . 78 Ile CD1 . 18260 1 913 . 1 1 78 78 ILE N N 15 119.419 0.100 . 1 . . . . 78 Ile N . 18260 1 914 . 1 1 79 79 LYS HA H 1 4.127 0.020 . 1 . . . . 79 Lys HA . 18260 1 915 . 1 1 79 79 LYS HB2 H 1 2.077 0.020 . 1 . . . . 79 Lys HB2 . 18260 1 916 . 1 1 79 79 LYS HB3 H 1 2.077 0.020 . 1 . . . . 79 Lys HB3 . 18260 1 917 . 1 1 79 79 LYS HG2 H 1 1.521 0.020 . 1 . . . . 79 Lys HG2 . 18260 1 918 . 1 1 79 79 LYS HG3 H 1 1.521 0.020 . 1 . . . . 79 Lys HG3 . 18260 1 919 . 1 1 79 79 LYS HD2 H 1 1.701 0.020 . 1 . . . . 79 Lys HD2 . 18260 1 920 . 1 1 79 79 LYS HD3 H 1 1.701 0.020 . 1 . . . . 79 Lys HD3 . 18260 1 921 . 1 1 79 79 LYS HE2 H 1 3.055 0.020 . 1 . . . . 79 Lys HE2 . 18260 1 922 . 1 1 79 79 LYS HE3 H 1 3.055 0.020 . 1 . . . . 79 Lys HE3 . 18260 1 923 . 1 1 79 79 LYS C C 13 178.227 0.300 . 1 . . . . 79 Lys C . 18260 1 924 . 1 1 79 79 LYS CA C 13 59.292 0.300 . 1 . . . . 79 Lys CA . 18260 1 925 . 1 1 79 79 LYS CB C 13 32.032 0.300 . 1 . . . . 79 Lys CB . 18260 1 926 . 1 1 79 79 LYS CG C 13 25.326 0.300 . 1 . . . . 79 Lys CG . 18260 1 927 . 1 1 79 79 LYS CD C 13 29.395 0.300 . 1 . . . . 79 Lys CD . 18260 1 928 . 1 1 79 79 LYS CE C 13 41.838 0.300 . 1 . . . . 79 Lys CE . 18260 1 929 . 1 1 80 80 LYS H H 1 7.625 0.020 . 1 . . . . 80 Lys H . 18260 1 930 . 1 1 80 80 LYS HA H 1 4.346 0.020 . 1 . . . . 80 Lys HA . 18260 1 931 . 1 1 80 80 LYS HB2 H 1 1.986 0.020 . 1 . . . . 80 Lys HB2 . 18260 1 932 . 1 1 80 80 LYS HB3 H 1 1.986 0.020 . 1 . . . . 80 Lys HB3 . 18260 1 933 . 1 1 80 80 LYS HG2 H 1 1.611 0.020 . 1 . . . . 80 Lys HG2 . 18260 1 934 . 1 1 80 80 LYS HG3 H 1 1.611 0.020 . 1 . . . . 80 Lys HG3 . 18260 1 935 . 1 1 80 80 LYS HD2 H 1 1.714 0.020 . 1 . . . . 80 Lys HD2 . 18260 1 936 . 1 1 80 80 LYS HD3 H 1 1.714 0.020 . 1 . . . . 80 Lys HD3 . 18260 1 937 . 1 1 80 80 LYS C C 13 176.360 0.300 . 1 . . . . 80 Lys C . 18260 1 938 . 1 1 80 80 LYS CA C 13 57.017 0.300 . 1 . . . . 80 Lys CA . 18260 1 939 . 1 1 80 80 LYS CB C 13 32.258 0.300 . 1 . . . . 80 Lys CB . 18260 1 940 . 1 1 80 80 LYS CG C 13 25.326 0.300 . 1 . . . . 80 Lys CG . 18260 1 941 . 1 1 80 80 LYS CD C 13 29.093 0.300 . 1 . . . . 80 Lys CD . 18260 1 942 . 1 1 80 80 LYS CE C 13 41.602 0.300 . 1 . . . . 80 Lys CE . 18260 1 943 . 1 1 80 80 LYS N N 15 116.717 0.100 . 1 . . . . 80 Lys N . 18260 1 944 . 1 1 81 81 ASN H H 1 8.119 0.020 . 1 . . . . 81 Asn H . 18260 1 945 . 1 1 81 81 ASN HA H 1 4.484 0.020 . 1 . . . . 81 Asn HA . 18260 1 946 . 1 1 81 81 ASN CA C 13 53.413 0.300 . 1 . . . . 81 Asn CA . 18260 1 947 . 1 1 81 81 ASN CB C 13 38.065 0.300 . 1 . . . . 81 Asn CB . 18260 1 948 . 1 1 81 81 ASN N N 15 116.080 0.100 . 1 . . . . 81 Asn N . 18260 1 949 . 1 1 84 84 HIS HA H 1 4.668 0.020 . 1 . . . . 84 His HA . 18260 1 950 . 1 1 84 84 HIS HB2 H 1 2.552 0.020 . 2 . . . . 84 His HB2 . 18260 1 951 . 1 1 84 84 HIS HB3 H 1 2.552 0.020 . 2 . . . . 84 His HB3 . 18260 1 952 . 1 1 84 84 HIS C C 13 175.223 0.300 . 1 . . . . 84 His C . 18260 1 953 . 1 1 84 84 HIS CA C 13 55.994 0.300 . 1 . . . . 84 His CA . 18260 1 954 . 1 1 84 84 HIS CB C 13 28.585 0.300 . 1 . . . . 84 His CB . 18260 1 955 . 1 1 85 85 VAL H H 1 7.532 0.020 . 1 . . . . 85 Val H . 18260 1 956 . 1 1 85 85 VAL HA H 1 3.621 0.020 . 1 . . . . 85 Val HA . 18260 1 957 . 1 1 85 85 VAL HB H 1 2.241 0.020 . 1 . . . . 85 Val HB . 18260 1 958 . 1 1 85 85 VAL HG11 H 1 1.096 0.020 . 2 . . . . 85 Val HG11 . 18260 1 959 . 1 1 85 85 VAL HG12 H 1 1.096 0.020 . 2 . . . . 85 Val HG12 . 18260 1 960 . 1 1 85 85 VAL HG13 H 1 1.096 0.020 . 2 . . . . 85 Val HG13 . 18260 1 961 . 1 1 85 85 VAL HG21 H 1 1.096 0.020 . 2 . . . . 85 Val HG21 . 18260 1 962 . 1 1 85 85 VAL HG22 H 1 1.096 0.020 . 2 . . . . 85 Val HG22 . 18260 1 963 . 1 1 85 85 VAL HG23 H 1 1.096 0.020 . 2 . . . . 85 Val HG23 . 18260 1 964 . 1 1 85 85 VAL C C 13 176.768 0.300 . 1 . . . . 85 Val C . 18260 1 965 . 1 1 85 85 VAL CA C 13 66.871 0.300 . 1 . . . . 85 Val CA . 18260 1 966 . 1 1 85 85 VAL CB C 13 31.429 0.300 . 1 . . . . 85 Val CB . 18260 1 967 . 1 1 85 85 VAL CG1 C 13 22.161 0.300 . 2 . . . . 85 Val CG1 . 18260 1 968 . 1 1 85 85 VAL CG2 C 13 22.161 0.300 . 2 . . . . 85 Val CG2 . 18260 1 969 . 1 1 85 85 VAL N N 15 119.024 0.100 . 1 . . . . 85 Val N . 18260 1 970 . 1 1 86 86 GLU H H 1 9.036 0.020 . 1 . . . . 86 Glu H . 18260 1 971 . 1 1 86 86 GLU HA H 1 4.110 0.020 . 1 . . . . 86 Glu HA . 18260 1 972 . 1 1 86 86 GLU HB2 H 1 2.062 0.020 . 1 . . . . 86 Glu HB2 . 18260 1 973 . 1 1 86 86 GLU HB3 H 1 2.062 0.020 . 1 . . . . 86 Glu HB3 . 18260 1 974 . 1 1 86 86 GLU HG2 H 1 2.372 0.020 . 1 . . . . 86 Glu HG2 . 18260 1 975 . 1 1 86 86 GLU HG3 H 1 2.372 0.020 . 1 . . . . 86 Glu HG3 . 18260 1 976 . 1 1 86 86 GLU C C 13 179.106 0.300 . 1 . . . . 86 Glu C . 18260 1 977 . 1 1 86 86 GLU CA C 13 60.369 0.300 . 1 . . . . 86 Glu CA . 18260 1 978 . 1 1 86 86 GLU CB C 13 28.716 0.300 . 1 . . . . 86 Glu CB . 18260 1 979 . 1 1 86 86 GLU CG C 13 36.327 0.300 . 1 . . . . 86 Glu CG . 18260 1 980 . 1 1 86 86 GLU N N 15 122.464 0.100 . 1 . . . . 86 Glu N . 18260 1 981 . 1 1 87 87 ASN H H 1 8.117 0.020 . 1 . . . . 87 Asn H . 18260 1 982 . 1 1 87 87 ASN HA H 1 4.771 0.020 . 1 . . . . 87 Asn HA . 18260 1 983 . 1 1 87 87 ASN HB2 H 1 3.108 0.020 . 2 . . . . 87 Asn HB2 . 18260 1 984 . 1 1 87 87 ASN HB3 H 1 3.044 0.020 . 2 . . . . 87 Asn HB3 . 18260 1 985 . 1 1 87 87 ASN C C 13 177.905 0.300 . 1 . . . . 87 Asn C . 18260 1 986 . 1 1 87 87 ASN CA C 13 56.062 0.300 . 1 . . . . 87 Asn CA . 18260 1 987 . 1 1 87 87 ASN CB C 13 38.814 0.300 . 1 . . . . 87 Asn CB . 18260 1 988 . 1 1 87 87 ASN N N 15 118.403 0.100 . 1 . . . . 87 Asn N . 18260 1 989 . 1 1 88 88 ILE H H 1 8.579 0.020 . 1 . . . . 88 Ile H . 18260 1 990 . 1 1 88 88 ILE HA H 1 3.895 0.020 . 1 . . . . 88 Ile HA . 18260 1 991 . 1 1 88 88 ILE HB H 1 1.714 0.020 . 1 . . . . 88 Ile HB . 18260 1 992 . 1 1 88 88 ILE HG12 H 1 1.654 0.020 . 1 . . . . 88 Ile HG12 . 18260 1 993 . 1 1 88 88 ILE HG13 H 1 1.654 0.020 . 1 . . . . 88 Ile HG13 . 18260 1 994 . 1 1 88 88 ILE HG21 H 1 0.709 0.020 . 1 . . . . 88 Ile HG21 . 18260 1 995 . 1 1 88 88 ILE HG22 H 1 0.709 0.020 . 1 . . . . 88 Ile HG22 . 18260 1 996 . 1 1 88 88 ILE HG23 H 1 0.709 0.020 . 1 . . . . 88 Ile HG23 . 18260 1 997 . 1 1 88 88 ILE HD11 H 1 0.631 0.020 . 1 . . . . 88 Ile HD11 . 18260 1 998 . 1 1 88 88 ILE HD12 H 1 0.631 0.020 . 1 . . . . 88 Ile HD12 . 18260 1 999 . 1 1 88 88 ILE HD13 H 1 0.631 0.020 . 1 . . . . 88 Ile HD13 . 18260 1 1000 . 1 1 88 88 ILE C C 13 178.076 0.300 . 1 . . . . 88 Ile C . 18260 1 1001 . 1 1 88 88 ILE CA C 13 66.047 0.300 . 1 . . . . 88 Ile CA . 18260 1 1002 . 1 1 88 88 ILE CB C 13 38.135 0.300 . 1 . . . . 88 Ile CB . 18260 1 1003 . 1 1 88 88 ILE CG1 C 13 29.470 0.300 . 1 . . . . 88 Ile CG1 . 18260 1 1004 . 1 1 88 88 ILE CG2 C 13 17.188 0.300 . 1 . . . . 88 Ile CG2 . 18260 1 1005 . 1 1 88 88 ILE CD1 C 13 14.174 0.300 . 1 . . . . 88 Ile CD1 . 18260 1 1006 . 1 1 88 88 ILE N N 15 120.249 0.100 . 1 . . . . 88 Ile N . 18260 1 1007 . 1 1 89 89 THR H H 1 8.455 0.020 . 1 . . . . 89 Thr H . 18260 1 1008 . 1 1 89 89 THR HA H 1 3.959 0.020 . 1 . . . . 89 Thr HA . 18260 1 1009 . 1 1 89 89 THR HB H 1 4.359 0.020 . 1 . . . . 89 Thr HB . 18260 1 1010 . 1 1 89 89 THR HG21 H 1 1.328 0.020 . 1 . . . . 89 Thr HG21 . 18260 1 1011 . 1 1 89 89 THR HG22 H 1 1.328 0.020 . 1 . . . . 89 Thr HG22 . 18260 1 1012 . 1 1 89 89 THR HG23 H 1 1.328 0.020 . 1 . . . . 89 Thr HG23 . 18260 1 1013 . 1 1 89 89 THR C C 13 176.661 0.300 . 1 . . . . 89 Thr C . 18260 1 1014 . 1 1 89 89 THR CA C 13 67.431 0.300 . 1 . . . . 89 Thr CA . 18260 1 1015 . 1 1 89 89 THR CB C 13 68.578 0.300 . 1 . . . . 89 Thr CB . 18260 1 1016 . 1 1 89 89 THR CG2 C 13 21.106 0.300 . 1 . . . . 89 Thr CG2 . 18260 1 1017 . 1 1 89 89 THR N N 15 115.112 0.100 . 1 . . . . 89 Thr N . 18260 1 1018 . 1 1 90 90 ALA H H 1 7.975 0.020 . 1 . . . . 90 Ala H . 18260 1 1019 . 1 1 90 90 ALA HA H 1 4.124 0.020 . 1 . . . . 90 Ala HA . 18260 1 1020 . 1 1 90 90 ALA HB1 H 1 1.729 0.020 . 1 . . . . 90 Ala HB1 . 18260 1 1021 . 1 1 90 90 ALA HB2 H 1 1.729 0.020 . 1 . . . . 90 Ala HB2 . 18260 1 1022 . 1 1 90 90 ALA HB3 H 1 1.729 0.020 . 1 . . . . 90 Ala HB3 . 18260 1 1023 . 1 1 90 90 ALA C C 13 181.659 0.300 . 1 . . . . 90 Ala C . 18260 1 1024 . 1 1 90 90 ALA CA C 13 55.316 0.300 . 1 . . . . 90 Ala CA . 18260 1 1025 . 1 1 90 90 ALA CB C 13 18.092 0.300 . 1 . . . . 90 Ala CB . 18260 1 1026 . 1 1 90 90 ALA N N 15 123.221 0.100 . 1 . . . . 90 Ala N . 18260 1 1027 . 1 1 91 91 LYS H H 1 8.546 0.020 . 1 . . . . 91 Lys H . 18260 1 1028 . 1 1 91 91 LYS HA H 1 4.271 0.020 . 1 . . . . 91 Lys HA . 18260 1 1029 . 1 1 91 91 LYS HB2 H 1 1.922 0.020 . 1 . . . . 91 Lys HB2 . 18260 1 1030 . 1 1 91 91 LYS HB3 H 1 1.922 0.020 . 1 . . . . 91 Lys HB3 . 18260 1 1031 . 1 1 91 91 LYS HG2 H 1 1.732 0.020 . 1 . . . . 91 Lys HG2 . 18260 1 1032 . 1 1 91 91 LYS HG3 H 1 1.732 0.020 . 1 . . . . 91 Lys HG3 . 18260 1 1033 . 1 1 91 91 LYS HD2 H 1 1.916 0.020 . 1 . . . . 91 Lys HD2 . 18260 1 1034 . 1 1 91 91 LYS HD3 H 1 1.916 0.020 . 1 . . . . 91 Lys HD3 . 18260 1 1035 . 1 1 91 91 LYS HE2 H 1 2.449 0.020 . 1 . . . . 91 Lys HE2 . 18260 1 1036 . 1 1 91 91 LYS HE3 H 1 2.449 0.020 . 1 . . . . 91 Lys HE3 . 18260 1 1037 . 1 1 91 91 LYS C C 13 180.329 0.300 . 1 . . . . 91 Lys C . 18260 1 1038 . 1 1 91 91 LYS CA C 13 58.775 0.300 . 1 . . . . 91 Lys CA . 18260 1 1039 . 1 1 91 91 LYS CB C 13 32.866 0.300 . 1 . . . . 91 Lys CB . 18260 1 1040 . 1 1 91 91 LYS CG C 13 24.271 0.300 . 1 . . . . 91 Lys CG . 18260 1 1041 . 1 1 91 91 LYS CD C 13 31.052 0.300 . 1 . . . . 91 Lys CD . 18260 1 1042 . 1 1 91 91 LYS CE C 13 41.903 0.300 . 1 . . . . 91 Lys CE . 18260 1 1043 . 1 1 91 91 LYS N N 15 118.539 0.100 . 1 . . . . 91 Lys N . 18260 1 1044 . 1 1 92 92 MET H H 1 8.586 0.020 . 1 . . . . 92 Met H . 18260 1 1045 . 1 1 92 92 MET HA H 1 4.260 0.020 . 1 . . . . 92 Met HA . 18260 1 1046 . 1 1 92 92 MET HB2 H 1 2.517 0.020 . 1 . . . . 92 Met HB2 . 18260 1 1047 . 1 1 92 92 MET HB3 H 1 2.517 0.020 . 1 . . . . 92 Met HB3 . 18260 1 1048 . 1 1 92 92 MET HG2 H 1 2.600 0.020 . 1 . . . . 92 Met HG2 . 18260 1 1049 . 1 1 92 92 MET HG3 H 1 2.600 0.020 . 1 . . . . 92 Met HG3 . 18260 1 1050 . 1 1 92 92 MET HE1 H 1 2.145 0.020 . 1 . . . . 92 Met HE1 . 18260 1 1051 . 1 1 92 92 MET HE2 H 1 2.145 0.020 . 1 . . . . 92 Met HE2 . 18260 1 1052 . 1 1 92 92 MET HE3 H 1 2.145 0.020 . 1 . . . . 92 Met HE3 . 18260 1 1053 . 1 1 92 92 MET C C 13 177.755 0.300 . 1 . . . . 92 Met C . 18260 1 1054 . 1 1 92 92 MET CA C 13 60.541 0.300 . 1 . . . . 92 Met CA . 18260 1 1055 . 1 1 92 92 MET CB C 13 33.916 0.300 . 1 . . . . 92 Met CB . 18260 1 1056 . 1 1 92 92 MET CG C 13 31.630 0.300 . 1 . . . . 92 Met CG . 18260 1 1057 . 1 1 92 92 MET CE C 13 16.229 0.300 . 1 . . . . 92 Met CE . 18260 1 1058 . 1 1 92 92 MET N N 15 118.612 0.100 . 1 . . . . 92 Met N . 18260 1 1059 . 1 1 93 93 LYS H H 1 8.581 0.020 . 1 . . . . 93 Lys H . 18260 1 1060 . 1 1 93 93 LYS HA H 1 4.088 0.020 . 1 . . . . 93 Lys HA . 18260 1 1061 . 1 1 93 93 LYS HB2 H 1 2.051 0.020 . 1 . . . . 93 Lys HB2 . 18260 1 1062 . 1 1 93 93 LYS HB3 H 1 2.051 0.020 . 1 . . . . 93 Lys HB3 . 18260 1 1063 . 1 1 93 93 LYS HG2 H 1 1.669 0.020 . 1 . . . . 93 Lys HG2 . 18260 1 1064 . 1 1 93 93 LYS HG3 H 1 1.669 0.020 . 1 . . . . 93 Lys HG3 . 18260 1 1065 . 1 1 93 93 LYS HD2 H 1 1.701 0.020 . 1 . . . . 93 Lys HD2 . 18260 1 1066 . 1 1 93 93 LYS HD3 H 1 1.701 0.020 . 1 . . . . 93 Lys HD3 . 18260 1 1067 . 1 1 93 93 LYS HE2 H 1 3.016 0.020 . 1 . . . . 93 Lys HE2 . 18260 1 1068 . 1 1 93 93 LYS HE3 H 1 3.016 0.020 . 1 . . . . 93 Lys HE3 . 18260 1 1069 . 1 1 93 93 LYS C C 13 180.887 0.300 . 1 . . . . 93 Lys C . 18260 1 1070 . 1 1 93 93 LYS CA C 13 59.848 0.300 . 1 . . . . 93 Lys CA . 18260 1 1071 . 1 1 93 93 LYS CB C 13 32.333 0.300 . 1 . . . . 93 Lys CB . 18260 1 1072 . 1 1 93 93 LYS CG C 13 25.100 0.300 . 1 . . . . 93 Lys CG . 18260 1 1073 . 1 1 93 93 LYS CD C 13 29.395 0.300 . 1 . . . . 93 Lys CD . 18260 1 1074 . 1 1 93 93 LYS CE C 13 41.828 0.300 . 1 . . . . 93 Lys CE . 18260 1 1075 . 1 1 93 93 LYS N N 15 117.761 0.100 . 1 . . . . 93 Lys N . 18260 1 1076 . 1 1 94 94 GLY H H 1 8.398 0.020 . 1 . . . . 94 Gly H . 18260 1 1077 . 1 1 94 94 GLY HA2 H 1 4.140 0.020 . 2 . . . . 94 Gly HA2 . 18260 1 1078 . 1 1 94 94 GLY HA3 H 1 3.998 0.020 . 2 . . . . 94 Gly HA3 . 18260 1 1079 . 1 1 94 94 GLY C C 13 176.189 0.300 . 1 . . . . 94 Gly C . 18260 1 1080 . 1 1 94 94 GLY CA C 13 46.847 0.300 . 1 . . . . 94 Gly CA . 18260 1 1081 . 1 1 94 94 GLY N N 15 106.774 0.100 . 1 . . . . 94 Gly N . 18260 1 1082 . 1 1 95 95 LEU H H 1 7.964 0.020 . 1 . . . . 95 Leu H . 18260 1 1083 . 1 1 95 95 LEU HA H 1 4.320 0.020 . 1 . . . . 95 Leu HA . 18260 1 1084 . 1 1 95 95 LEU HB2 H 1 2.013 0.020 . 1 . . . . 95 Leu HB2 . 18260 1 1085 . 1 1 95 95 LEU HB3 H 1 2.013 0.020 . 1 . . . . 95 Leu HB3 . 18260 1 1086 . 1 1 95 95 LEU HG H 1 1.735 0.020 . 1 . . . . 95 Leu HG . 18260 1 1087 . 1 1 95 95 LEU HD11 H 1 1.083 0.020 . 2 . . . . 95 Leu HD11 . 18260 1 1088 . 1 1 95 95 LEU HD12 H 1 1.083 0.020 . 2 . . . . 95 Leu HD12 . 18260 1 1089 . 1 1 95 95 LEU HD13 H 1 1.083 0.020 . 2 . . . . 95 Leu HD13 . 18260 1 1090 . 1 1 95 95 LEU HD21 H 1 0.889 0.020 . 2 . . . . 95 Leu HD21 . 18260 1 1091 . 1 1 95 95 LEU HD22 H 1 0.889 0.020 . 2 . . . . 95 Leu HD22 . 18260 1 1092 . 1 1 95 95 LEU HD23 H 1 0.889 0.020 . 2 . . . . 95 Leu HD23 . 18260 1 1093 . 1 1 95 95 LEU C C 13 178.248 0.300 . 1 . . . . 95 Leu C . 18260 1 1094 . 1 1 95 95 LEU CA C 13 58.027 0.300 . 1 . . . . 95 Leu CA . 18260 1 1095 . 1 1 95 95 LEU CB C 13 41.903 0.300 . 1 . . . . 95 Leu CB . 18260 1 1096 . 1 1 95 95 LEU CG C 13 26.757 0.300 . 1 . . . . 95 Leu CG . 18260 1 1097 . 1 1 95 95 LEU CD1 C 13 22.764 0.300 . 2 . . . . 95 Leu CD1 . 18260 1 1098 . 1 1 95 95 LEU CD2 C 13 23.261 0.300 . 2 . . . . 95 Leu CD2 . 18260 1 1099 . 1 1 95 95 LEU N N 15 124.264 0.100 . 1 . . . . 95 Leu N . 18260 1 1100 . 1 1 96 96 LYS H H 1 8.376 0.020 . 1 . . . . 96 Lys H . 18260 1 1101 . 1 1 96 96 LYS HA H 1 4.024 0.020 . 1 . . . . 96 Lys HA . 18260 1 1102 . 1 1 96 96 LYS HB2 H 1 1.987 0.020 . 1 . . . . 96 Lys HB2 . 18260 1 1103 . 1 1 96 96 LYS HB3 H 1 1.987 0.020 . 1 . . . . 96 Lys HB3 . 18260 1 1104 . 1 1 96 96 LYS HG2 H 1 1.495 0.020 . 1 . . . . 96 Lys HG2 . 18260 1 1105 . 1 1 96 96 LYS HG3 H 1 1.495 0.020 . 1 . . . . 96 Lys HG3 . 18260 1 1106 . 1 1 96 96 LYS HD2 H 1 1.766 0.020 . 1 . . . . 96 Lys HD2 . 18260 1 1107 . 1 1 96 96 LYS HD3 H 1 1.766 0.020 . 1 . . . . 96 Lys HD3 . 18260 1 1108 . 1 1 96 96 LYS C C 13 180.694 0.300 . 1 . . . . 96 Lys C . 18260 1 1109 . 1 1 96 96 LYS CA C 13 60.289 0.300 . 1 . . . . 96 Lys CA . 18260 1 1110 . 1 1 96 96 LYS CB C 13 32.183 0.300 . 1 . . . . 96 Lys CB . 18260 1 1111 . 1 1 96 96 LYS CG C 13 25.702 0.300 . 1 . . . . 96 Lys CG . 18260 1 1112 . 1 1 96 96 LYS CD C 13 29.847 0.300 . 1 . . . . 96 Lys CD . 18260 1 1113 . 1 1 96 96 LYS CE C 13 42.129 0.300 . 1 . . . . 96 Lys CE . 18260 1 1114 . 1 1 96 96 LYS N N 15 117.239 0.100 . 1 . . . . 96 Lys N . 18260 1 1115 . 1 1 97 97 GLY H H 1 8.241 0.020 . 1 . . . . 97 Gly H . 18260 1 1116 . 1 1 97 97 GLY HA2 H 1 4.062 0.020 . 1 . . . . 97 Gly HA2 . 18260 1 1117 . 1 1 97 97 GLY HA3 H 1 4.062 0.020 . 1 . . . . 97 Gly HA3 . 18260 1 1118 . 1 1 97 97 GLY C C 13 175.717 0.300 . 1 . . . . 97 Gly C . 18260 1 1119 . 1 1 97 97 GLY CA C 13 47.171 0.300 . 1 . . . . 97 Gly CA . 18260 1 1120 . 1 1 97 97 GLY N N 15 107.677 0.100 . 1 . . . . 97 Gly N . 18260 1 1121 . 1 1 98 98 LYS H H 1 7.996 0.020 . 1 . . . . 98 Lys H . 18260 1 1122 . 1 1 98 98 LYS HA H 1 4.359 0.020 . 1 . . . . 98 Lys HA . 18260 1 1123 . 1 1 98 98 LYS HB2 H 1 1.971 0.020 . 1 . . . . 98 Lys HB2 . 18260 1 1124 . 1 1 98 98 LYS HB3 H 1 1.971 0.020 . 1 . . . . 98 Lys HB3 . 18260 1 1125 . 1 1 98 98 LYS HG2 H 1 1.623 0.020 . 1 . . . . 98 Lys HG2 . 18260 1 1126 . 1 1 98 98 LYS HG3 H 1 1.623 0.020 . 1 . . . . 98 Lys HG3 . 18260 1 1127 . 1 1 98 98 LYS HD2 H 1 1.790 0.020 . 1 . . . . 98 Lys HD2 . 18260 1 1128 . 1 1 98 98 LYS HD3 H 1 1.790 0.020 . 1 . . . . 98 Lys HD3 . 18260 1 1129 . 1 1 98 98 LYS C C 13 179.921 0.300 . 1 . . . . 98 Lys C . 18260 1 1130 . 1 1 98 98 LYS CA C 13 59.551 0.300 . 1 . . . . 98 Lys CA . 18260 1 1131 . 1 1 98 98 LYS CB C 13 32.333 0.300 . 1 . . . . 98 Lys CB . 18260 1 1132 . 1 1 98 98 LYS CG C 13 25.702 0.300 . 1 . . . . 98 Lys CG . 18260 1 1133 . 1 1 98 98 LYS CD C 13 28.867 0.300 . 1 . . . . 98 Lys CD . 18260 1 1134 . 1 1 98 98 LYS CE C 13 41.903 0.300 . 1 . . . . 98 Lys CE . 18260 1 1135 . 1 1 98 98 LYS N N 15 122.105 0.100 . 1 . . . . 98 Lys N . 18260 1 1136 . 1 1 99 99 VAL H H 1 8.312 0.020 . 1 . . . . 99 Val H . 18260 1 1137 . 1 1 99 99 VAL HA H 1 3.882 0.020 . 1 . . . . 99 Val HA . 18260 1 1138 . 1 1 99 99 VAL HB H 1 2.528 0.020 . 1 . . . . 99 Val HB . 18260 1 1139 . 1 1 99 99 VAL HG11 H 1 1.186 0.020 . 2 . . . . 99 Val HG11 . 18260 1 1140 . 1 1 99 99 VAL HG12 H 1 1.186 0.020 . 2 . . . . 99 Val HG12 . 18260 1 1141 . 1 1 99 99 VAL HG13 H 1 1.186 0.020 . 2 . . . . 99 Val HG13 . 18260 1 1142 . 1 1 99 99 VAL HG21 H 1 1.366 0.020 . 2 . . . . 99 Val HG21 . 18260 1 1143 . 1 1 99 99 VAL HG22 H 1 1.366 0.020 . 2 . . . . 99 Val HG22 . 18260 1 1144 . 1 1 99 99 VAL HG23 H 1 1.366 0.020 . 2 . . . . 99 Val HG23 . 18260 1 1145 . 1 1 99 99 VAL C C 13 177.903 0.300 . 1 . . . . 99 Val C . 18260 1 1146 . 1 1 99 99 VAL CA C 13 67.826 0.300 . 1 . . . . 99 Val CA . 18260 1 1147 . 1 1 99 99 VAL CB C 13 31.505 0.300 . 1 . . . . 99 Val CB . 18260 1 1148 . 1 1 99 99 VAL CG1 C 13 21.784 0.300 . 2 . . . . 99 Val CG1 . 18260 1 1149 . 1 1 99 99 VAL CG2 C 13 24.723 0.300 . 2 . . . . 99 Val CG2 . 18260 1 1150 . 1 1 99 99 VAL N N 15 120.080 0.100 . 1 . . . . 99 Val N . 18260 1 1151 . 1 1 100 100 SER H H 1 7.977 0.020 . 1 . . . . 100 Ser H . 18260 1 1152 . 1 1 100 100 SER HA H 1 4.578 0.020 . 1 . . . . 100 Ser HA . 18260 1 1153 . 1 1 100 100 SER HB2 H 1 4.204 0.020 . 1 . . . . 100 Ser HB2 . 18260 1 1154 . 1 1 100 100 SER HB3 H 1 4.204 0.020 . 1 . . . . 100 Ser HB3 . 18260 1 1155 . 1 1 100 100 SER C C 13 177.583 0.300 . 1 . . . . 100 Ser C . 18260 1 1156 . 1 1 100 100 SER CA C 13 61.661 0.300 . 1 . . . . 100 Ser CA . 18260 1 1157 . 1 1 100 100 SER CB C 13 62.474 0.300 . 1 . . . . 100 Ser CB . 18260 1 1158 . 1 1 100 100 SER N N 15 114.664 0.100 . 1 . . . . 100 Ser N . 18260 1 1159 . 1 1 101 101 ASP H H 1 8.532 0.020 . 1 . . . . 101 Asp H . 18260 1 1160 . 1 1 101 101 ASP HA H 1 4.563 0.020 . 1 . . . . 101 Asp HA . 18260 1 1161 . 1 1 101 101 ASP HB2 H 1 2.976 0.020 . 2 . . . . 101 Asp HB2 . 18260 1 1162 . 1 1 101 101 ASP HB3 H 1 2.615 0.020 . 2 . . . . 101 Asp HB3 . 18260 1 1163 . 1 1 101 101 ASP C C 13 176.316 0.300 . 1 . . . . 101 Asp C . 18260 1 1164 . 1 1 101 101 ASP CA C 13 57.457 0.300 . 1 . . . . 101 Asp CA . 18260 1 1165 . 1 1 101 101 ASP CB C 13 39.869 0.300 . 1 . . . . 101 Asp CB . 18260 1 1166 . 1 1 101 101 ASP N N 15 121.731 0.100 . 1 . . . . 101 Asp N . 18260 1 1167 . 1 1 102 102 LEU H H 1 8.289 0.020 . 1 . . . . 102 Leu H . 18260 1 1168 . 1 1 102 102 LEU HA H 1 4.513 0.020 . 1 . . . . 102 Leu HA . 18260 1 1169 . 1 1 102 102 LEU HB2 H 1 2.322 0.020 . 2 . . . . 102 Leu HB2 . 18260 1 1170 . 1 1 102 102 LEU HB3 H 1 1.523 0.020 . 2 . . . . 102 Leu HB3 . 18260 1 1171 . 1 1 102 102 LEU HG H 1 1.392 0.020 . 1 . . . . 102 Leu HG . 18260 1 1172 . 1 1 102 102 LEU HD11 H 1 0.709 0.020 . 2 . . . . 102 Leu HD11 . 18260 1 1173 . 1 1 102 102 LEU HD12 H 1 0.709 0.020 . 2 . . . . 102 Leu HD12 . 18260 1 1174 . 1 1 102 102 LEU HD13 H 1 0.709 0.020 . 2 . . . . 102 Leu HD13 . 18260 1 1175 . 1 1 102 102 LEU HD21 H 1 0.709 0.020 . 2 . . . . 102 Leu HD21 . 18260 1 1176 . 1 1 102 102 LEU HD22 H 1 0.709 0.020 . 2 . . . . 102 Leu HD22 . 18260 1 1177 . 1 1 102 102 LEU HD23 H 1 0.709 0.020 . 2 . . . . 102 Leu HD23 . 18260 1 1178 . 1 1 102 102 LEU C C 13 177.905 0.300 . 1 . . . . 102 Leu C . 18260 1 1179 . 1 1 102 102 LEU CA C 13 57.828 0.300 . 1 . . . . 102 Leu CA . 18260 1 1180 . 1 1 102 102 LEU CB C 13 40.170 0.300 . 1 . . . . 102 Leu CB . 18260 1 1181 . 1 1 102 102 LEU CG C 13 27.436 0.300 . 1 . . . . 102 Leu CG . 18260 1 1182 . 1 1 102 102 LEU CD1 C 13 22.764 0.300 . 2 . . . . 102 Leu CD1 . 18260 1 1183 . 1 1 102 102 LEU CD2 C 13 22.764 0.300 . 2 . . . . 102 Leu CD2 . 18260 1 1184 . 1 1 102 102 LEU N N 15 123.769 0.100 . 1 . . . . 102 Leu N . 18260 1 1185 . 1 1 103 103 GLU H H 1 9.157 0.020 . 1 . . . . 103 Glu H . 18260 1 1186 . 1 1 103 103 GLU HA H 1 4.410 0.020 . 1 . . . . 103 Glu HA . 18260 1 1187 . 1 1 103 103 GLU HB2 H 1 2.297 0.020 . 1 . . . . 103 Glu HB2 . 18260 1 1188 . 1 1 103 103 GLU HB3 H 1 2.297 0.020 . 1 . . . . 103 Glu HB3 . 18260 1 1189 . 1 1 103 103 GLU HG2 H 1 2.691 0.020 . 1 . . . . 103 Glu HG2 . 18260 1 1190 . 1 1 103 103 GLU HG3 H 1 2.691 0.020 . 1 . . . . 103 Glu HG3 . 18260 1 1191 . 1 1 103 103 GLU C C 13 180.307 0.300 . 1 . . . . 103 Glu C . 18260 1 1192 . 1 1 103 103 GLU CA C 13 60.627 0.300 . 1 . . . . 103 Glu CA . 18260 1 1193 . 1 1 103 103 GLU CB C 13 29.847 0.300 . 1 . . . . 103 Glu CB . 18260 1 1194 . 1 1 103 103 GLU CG C 13 37.081 0.300 . 1 . . . . 103 Glu CG . 18260 1 1195 . 1 1 103 103 GLU N N 15 120.969 0.100 . 1 . . . . 103 Glu N . 18260 1 1196 . 1 1 104 104 LYS H H 1 8.222 0.020 . 1 . . . . 104 Lys H . 18260 1 1197 . 1 1 104 104 LYS HA H 1 4.268 0.020 . 1 . . . . 104 Lys HA . 18260 1 1198 . 1 1 104 104 LYS HB2 H 1 2.051 0.020 . 1 . . . . 104 Lys HB2 . 18260 1 1199 . 1 1 104 104 LYS HB3 H 1 2.051 0.020 . 1 . . . . 104 Lys HB3 . 18260 1 1200 . 1 1 104 104 LYS HG2 H 1 1.521 0.020 . 1 . . . . 104 Lys HG2 . 18260 1 1201 . 1 1 104 104 LYS HG3 H 1 1.521 0.020 . 1 . . . . 104 Lys HG3 . 18260 1 1202 . 1 1 104 104 LYS HD2 H 1 1.766 0.020 . 1 . . . . 104 Lys HD2 . 18260 1 1203 . 1 1 104 104 LYS HD3 H 1 1.766 0.020 . 1 . . . . 104 Lys HD3 . 18260 1 1204 . 1 1 104 104 LYS C C 13 179.256 0.300 . 1 . . . . 104 Lys C . 18260 1 1205 . 1 1 104 104 LYS CA C 13 59.723 0.300 . 1 . . . . 104 Lys CA . 18260 1 1206 . 1 1 104 104 LYS CB C 13 32.333 0.300 . 1 . . . . 104 Lys CB . 18260 1 1207 . 1 1 104 104 LYS CG C 13 24.798 0.300 . 1 . . . . 104 Lys CG . 18260 1 1208 . 1 1 104 104 LYS CD C 13 29.771 0.300 . 1 . . . . 104 Lys CD . 18260 1 1209 . 1 1 104 104 LYS CE C 13 41.978 0.300 . 1 . . . . 104 Lys CE . 18260 1 1210 . 1 1 104 104 LYS N N 15 119.694 0.100 . 1 . . . . 104 Lys N . 18260 1 1211 . 1 1 105 105 ALA H H 1 8.134 0.020 . 1 . . . . 105 Ala H . 18260 1 1212 . 1 1 105 105 ALA HA H 1 4.294 0.020 . 1 . . . . 105 Ala HA . 18260 1 1213 . 1 1 105 105 ALA HB1 H 1 1.536 0.020 . 1 . . . . 105 Ala HB1 . 18260 1 1214 . 1 1 105 105 ALA HB2 H 1 1.536 0.020 . 1 . . . . 105 Ala HB2 . 18260 1 1215 . 1 1 105 105 ALA HB3 H 1 1.536 0.020 . 1 . . . . 105 Ala HB3 . 18260 1 1216 . 1 1 105 105 ALA C C 13 181.015 0.300 . 1 . . . . 105 Ala C . 18260 1 1217 . 1 1 105 105 ALA CA C 13 54.886 0.300 . 1 . . . . 105 Ala CA . 18260 1 1218 . 1 1 105 105 ALA CB C 13 18.318 0.300 . 1 . . . . 105 Ala CB . 18260 1 1219 . 1 1 105 105 ALA N N 15 122.614 0.100 . 1 . . . . 105 Ala N . 18260 1 1220 . 1 1 106 106 ALA H H 1 9.434 0.020 . 1 . . . . 106 Ala H . 18260 1 1221 . 1 1 106 106 ALA HA H 1 4.101 0.020 . 1 . . . . 106 Ala HA . 18260 1 1222 . 1 1 106 106 ALA HB1 H 1 1.961 0.020 . 1 . . . . 106 Ala HB1 . 18260 1 1223 . 1 1 106 106 ALA HB2 H 1 1.961 0.020 . 1 . . . . 106 Ala HB2 . 18260 1 1224 . 1 1 106 106 ALA HB3 H 1 1.961 0.020 . 1 . . . . 106 Ala HB3 . 18260 1 1225 . 1 1 106 106 ALA C C 13 178.699 0.300 . 1 . . . . 106 Ala C . 18260 1 1226 . 1 1 106 106 ALA CA C 13 55.589 0.300 . 1 . . . . 106 Ala CA . 18260 1 1227 . 1 1 106 106 ALA CB C 13 18.845 0.300 . 1 . . . . 106 Ala CB . 18260 1 1228 . 1 1 106 106 ALA N N 15 122.165 0.100 . 1 . . . . 106 Ala N . 18260 1 1229 . 1 1 107 107 ALA H H 1 8.108 0.020 . 1 . . . . 107 Ala H . 18260 1 1230 . 1 1 107 107 ALA HA H 1 4.346 0.020 . 1 . . . . 107 Ala HA . 18260 1 1231 . 1 1 107 107 ALA HB1 H 1 1.716 0.020 . 1 . . . . 107 Ala HB1 . 18260 1 1232 . 1 1 107 107 ALA HB2 H 1 1.716 0.020 . 1 . . . . 107 Ala HB2 . 18260 1 1233 . 1 1 107 107 ALA HB3 H 1 1.716 0.020 . 1 . . . . 107 Ala HB3 . 18260 1 1234 . 1 1 107 107 ALA C C 13 181.311 0.300 . 1 . . . . 107 Ala C . 18260 1 1235 . 1 1 107 107 ALA CA C 13 54.788 0.300 . 1 . . . . 107 Ala CA . 18260 1 1236 . 1 1 107 107 ALA CB C 13 17.710 0.300 . 1 . . . . 107 Ala CB . 18260 1 1237 . 1 1 107 107 ALA N N 15 119.978 0.100 . 1 . . . . 107 Ala N . 18260 1 1238 . 1 1 108 108 GLN H H 1 7.858 0.020 . 1 . . . . 108 Gln H . 18260 1 1239 . 1 1 108 108 GLN HA H 1 4.136 0.020 . 1 . . . . 108 Gln HA . 18260 1 1240 . 1 1 108 108 GLN HB2 H 1 2.180 0.020 . 1 . . . . 108 Gln HB2 . 18260 1 1241 . 1 1 108 108 GLN HB3 H 1 2.180 0.020 . 1 . . . . 108 Gln HB3 . 18260 1 1242 . 1 1 108 108 GLN HG2 H 1 2.501 0.020 . 1 . . . . 108 Gln HG2 . 18260 1 1243 . 1 1 108 108 GLN HG3 H 1 2.501 0.020 . 1 . . . . 108 Gln HG3 . 18260 1 1244 . 1 1 108 108 GLN HE21 H 1 6.915 0.020 . 2 . . . . 108 Gln HE21 . 18260 1 1245 . 1 1 108 108 GLN HE22 H 1 7.470 0.020 . 2 . . . . 108 Gln HE22 . 18260 1 1246 . 1 1 108 108 GLN C C 13 177.798 0.300 . 1 . . . . 108 Gln C . 18260 1 1247 . 1 1 108 108 GLN CA C 13 58.646 0.300 . 1 . . . . 108 Gln CA . 18260 1 1248 . 1 1 108 108 GLN CB C 13 28.264 0.300 . 1 . . . . 108 Gln CB . 18260 1 1249 . 1 1 108 108 GLN CG C 13 33.690 0.300 . 1 . . . . 108 Gln CG . 18260 1 1250 . 1 1 108 108 GLN CD C 13 180.056 0.300 . 1 . . . . 108 Gln CD . 18260 1 1251 . 1 1 108 108 GLN N N 15 118.927 0.100 . 1 . . . . 108 Gln N . 18260 1 1252 . 1 1 108 108 GLN NE2 N 15 111.388 0.100 . 1 . . . . 108 Gln NE2 . 18260 1 1253 . 1 1 109 109 ARG H H 1 7.813 0.020 . 1 . . . . 109 Arg H . 18260 1 1254 . 1 1 109 109 ARG HA H 1 4.268 0.020 . 1 . . . . 109 Arg HA . 18260 1 1255 . 1 1 109 109 ARG HB2 H 1 2.283 0.020 . 2 . . . . 109 Arg HB2 . 18260 1 1256 . 1 1 109 109 ARG HB3 H 1 2.025 0.020 . 2 . . . . 109 Arg HB3 . 18260 1 1257 . 1 1 109 109 ARG HG2 H 1 1.663 0.020 . 2 . . . . 109 Arg HG2 . 18260 1 1258 . 1 1 109 109 ARG HG3 H 1 1.456 0.020 . 2 . . . . 109 Arg HG3 . 18260 1 1259 . 1 1 109 109 ARG HD2 H 1 3.449 0.020 . 1 . . . . 109 Arg HD2 . 18260 1 1260 . 1 1 109 109 ARG HD3 H 1 3.449 0.020 . 1 . . . . 109 Arg HD3 . 18260 1 1261 . 1 1 109 109 ARG HE H 1 7.783 0.020 . 1 . . . . 109 Arg HE . 18260 1 1262 . 1 1 109 109 ARG C C 13 177.347 0.300 . 1 . . . . 109 Arg C . 18260 1 1263 . 1 1 109 109 ARG CA C 13 58.732 0.300 . 1 . . . . 109 Arg CA . 18260 1 1264 . 1 1 109 109 ARG CB C 13 29.093 0.300 . 1 . . . . 109 Arg CB . 18260 1 1265 . 1 1 109 109 ARG CG C 13 27.134 0.300 . 1 . . . . 109 Arg CG . 18260 1 1266 . 1 1 109 109 ARG CD C 13 43.033 0.300 . 1 . . . . 109 Arg CD . 18260 1 1267 . 1 1 109 109 ARG CZ C 13 159.256 0.300 . 1 . . . . 109 Arg CZ . 18260 1 1268 . 1 1 109 109 ARG N N 15 120.668 0.100 . 1 . . . . 109 Arg N . 18260 1 1269 . 1 1 109 109 ARG NE N 15 85.466 00.100 . 1 . . . . 109 Arg NE . 18260 1 1270 . 1 1 110 110 LYS H H 1 8.292 0.020 . 1 . . . . 110 Lys H . 18260 1 1271 . 1 1 110 110 LYS HA H 1 3.495 0.020 . 1 . . . . 110 Lys HA . 18260 1 1272 . 1 1 110 110 LYS HB2 H 1 1.957 0.020 . 1 . . . . 110 Lys HB2 . 18260 1 1273 . 1 1 110 110 LYS HB3 H 1 1.957 0.020 . 1 . . . . 110 Lys HB3 . 18260 1 1274 . 1 1 110 110 LYS HG2 H 1 1.562 0.020 . 1 . . . . 110 Lys HG2 . 18260 1 1275 . 1 1 110 110 LYS HG3 H 1 1.562 0.020 . 1 . . . . 110 Lys HG3 . 18260 1 1276 . 1 1 110 110 LYS HD2 H 1 1.622 0.020 . 1 . . . . 110 Lys HD2 . 18260 1 1277 . 1 1 110 110 LYS HD3 H 1 1.622 0.020 . 1 . . . . 110 Lys HD3 . 18260 1 1278 . 1 1 110 110 LYS HE2 H 1 3.115 0.020 . 1 . . . . 110 Lys HE2 . 18260 1 1279 . 1 1 110 110 LYS HE3 H 1 3.115 0.020 . 1 . . . . 110 Lys HE3 . 18260 1 1280 . 1 1 110 110 LYS C C 13 177.412 0.300 . 1 . . . . 110 Lys C . 18260 1 1281 . 1 1 110 110 LYS CA C 13 58.857 0.300 . 1 . . . . 110 Lys CA . 18260 1 1282 . 1 1 110 110 LYS CB C 13 31.957 0.300 . 1 . . . . 110 Lys CB . 18260 1 1283 . 1 1 110 110 LYS CG C 13 24.421 0.300 . 1 . . . . 110 Lys CG . 18260 1 1284 . 1 1 110 110 LYS CD C 13 29.421 0.300 . 1 . . . . 110 Lys CD . 18260 1 1285 . 1 1 110 110 LYS CE C 13 42.204 0.300 . 1 . . . . 110 Lys CE . 18260 1 1286 . 1 1 110 110 LYS N N 15 118.871 0.100 . 1 . . . . 110 Lys N . 18260 1 1287 . 1 1 111 111 ALA H H 1 7.792 0.020 . 1 . . . . 111 Ala H . 18260 1 1288 . 1 1 111 111 ALA HA H 1 4.230 0.020 . 1 . . . . 111 Ala HA . 18260 1 1289 . 1 1 111 111 ALA HB1 H 1 1.523 0.020 . 1 . . . . 111 Ala HB1 . 18260 1 1290 . 1 1 111 111 ALA HB2 H 1 1.523 0.020 . 1 . . . . 111 Ala HB2 . 18260 1 1291 . 1 1 111 111 ALA HB3 H 1 1.523 0.020 . 1 . . . . 111 Ala HB3 . 18260 1 1292 . 1 1 111 111 ALA C C 13 180.608 0.300 . 1 . . . . 111 Ala C . 18260 1 1293 . 1 1 111 111 ALA CA C 13 54.900 0.300 . 1 . . . . 111 Ala CA . 18260 1 1294 . 1 1 111 111 ALA CB C 13 17.489 0.300 . 1 . . . . 111 Ala CB . 18260 1 1295 . 1 1 111 111 ALA N N 15 118.486 0.100 . 1 . . . . 111 Ala N . 18260 1 1296 . 1 1 112 112 LYS H H 1 7.583 0.020 . 1 . . . . 112 Lys H . 18260 1 1297 . 1 1 112 112 LYS HA H 1 3.969 0.020 . 1 . . . . 112 Lys HA . 18260 1 1298 . 1 1 112 112 LYS HB2 H 1 1.751 0.020 . 1 . . . . 112 Lys HB2 . 18260 1 1299 . 1 1 112 112 LYS HB3 H 1 1.751 0.020 . 1 . . . . 112 Lys HB3 . 18260 1 1300 . 1 1 112 112 LYS HG2 H 1 1.209 0.020 . 1 . . . . 112 Lys HG2 . 18260 1 1301 . 1 1 112 112 LYS HG3 H 1 1.209 0.020 . 1 . . . . 112 Lys HG3 . 18260 1 1302 . 1 1 112 112 LYS HD2 H 1 1.454 0.020 . 1 . . . . 112 Lys HD2 . 18260 1 1303 . 1 1 112 112 LYS HD3 H 1 1.454 0.020 . 1 . . . . 112 Lys HD3 . 18260 1 1304 . 1 1 112 112 LYS C C 13 179.471 0.300 . 1 . . . . 112 Lys C . 18260 1 1305 . 1 1 112 112 LYS CA C 13 58.000 0.300 . 1 . . . . 112 Lys CA . 18260 1 1306 . 1 1 112 112 LYS CB C 13 31.278 0.300 . 1 . . . . 112 Lys CB . 18260 1 1307 . 1 1 112 112 LYS CG C 13 24.195 0.300 . 1 . . . . 112 Lys CG . 18260 1 1308 . 1 1 112 112 LYS CD C 13 27.812 0.300 . 1 . . . . 112 Lys CD . 18260 1 1309 . 1 1 112 112 LYS CE C 13 41.828 0.300 . 1 . . . . 112 Lys CE . 18260 1 1310 . 1 1 112 112 LYS N N 15 117.818 0.100 . 1 . . . . 112 Lys N . 18260 1 1311 . 1 1 113 113 LEU H H 1 8.152 0.020 . 1 . . . . 113 Leu H . 18260 1 1312 . 1 1 113 113 LEU HA H 1 4.204 0.020 . 1 . . . . 113 Leu HA . 18260 1 1313 . 1 1 113 113 LEU HB2 H 1 1.368 0.020 . 2 . . . . 113 Leu HB2 . 18260 1 1314 . 1 1 113 113 LEU HB3 H 1 2.051 0.020 . 2 . . . . 113 Leu HB3 . 18260 1 1315 . 1 1 113 113 LEU HD11 H 1 1.018 0.020 . 2 . . . . 113 Leu HD11 . 18260 1 1316 . 1 1 113 113 LEU HD12 H 1 1.018 0.020 . 2 . . . . 113 Leu HD12 . 18260 1 1317 . 1 1 113 113 LEU HD13 H 1 1.018 0.020 . 2 . . . . 113 Leu HD13 . 18260 1 1318 . 1 1 113 113 LEU HD21 H 1 1.018 0.020 . 2 . . . . 113 Leu HD21 . 18260 1 1319 . 1 1 113 113 LEU HD22 H 1 1.018 0.020 . 2 . . . . 113 Leu HD22 . 18260 1 1320 . 1 1 113 113 LEU HD23 H 1 1.018 0.020 . 2 . . . . 113 Leu HD23 . 18260 1 1321 . 1 1 113 113 LEU C C 13 178.849 0.300 . 1 . . . . 113 Leu C . 18260 1 1322 . 1 1 113 113 LEU CA C 13 57.656 0.300 . 1 . . . . 113 Leu CA . 18260 1 1323 . 1 1 113 113 LEU CB C 13 41.752 0.300 . 1 . . . . 113 Leu CB . 18260 1 1324 . 1 1 113 113 LEU CG C 13 26.079 0.300 . 1 . . . . 113 Leu CG . 18260 1 1325 . 1 1 113 113 LEU CD1 C 13 23.743 0.300 . 2 . . . . 113 Leu CD1 . 18260 1 1326 . 1 1 113 113 LEU CD2 C 13 22.387 0.300 . 2 . . . . 113 Leu CD2 . 18260 1 1327 . 1 1 113 113 LEU N N 15 120.385 0.100 . 1 . . . . 113 Leu N . 18260 1 1328 . 1 1 114 114 ASP H H 1 8.413 0.020 . 1 . . . . 114 Asp H . 18260 1 1329 . 1 1 114 114 ASP HA H 1 4.410 0.020 . 1 . . . . 114 Asp HA . 18260 1 1330 . 1 1 114 114 ASP HB2 H 1 2.722 0.020 . 1 . . . . 114 Asp HB2 . 18260 1 1331 . 1 1 114 114 ASP HB3 H 1 2.722 0.020 . 1 . . . . 114 Asp HB3 . 18260 1 1332 . 1 1 114 114 ASP C C 13 178.956 0.300 . 1 . . . . 114 Asp C . 18260 1 1333 . 1 1 114 114 ASP CA C 13 56.373 0.300 . 1 . . . . 114 Asp CA . 18260 1 1334 . 1 1 114 114 ASP CB C 13 40.321 0.300 . 1 . . . . 114 Asp CB . 18260 1 1335 . 1 1 114 114 ASP N N 15 118.664 0.100 . 1 . . . . 114 Asp N . 18260 1 1336 . 1 1 115 115 GLU H H 1 7.925 0.020 . 1 . . . . 115 Glu H . 18260 1 1337 . 1 1 115 115 GLU HA H 1 4.124 0.020 . 1 . . . . 115 Glu HA . 18260 1 1338 . 1 1 115 115 GLU HB2 H 1 2.129 0.020 . 1 . . . . 115 Glu HB2 . 18260 1 1339 . 1 1 115 115 GLU HB3 H 1 2.129 0.020 . 1 . . . . 115 Glu HB3 . 18260 1 1340 . 1 1 115 115 GLU HG2 H 1 2.461 0.020 . 1 . . . . 115 Glu HG2 . 18260 1 1341 . 1 1 115 115 GLU HG3 H 1 2.461 0.020 . 1 . . . . 115 Glu HG3 . 18260 1 1342 . 1 1 115 115 GLU C C 13 177.456 0.300 . 1 . . . . 115 Glu C . 18260 1 1343 . 1 1 115 115 GLU CA C 13 58.346 0.300 . 1 . . . . 115 Glu CA . 18260 1 1344 . 1 1 115 115 GLU CB C 13 29.696 0.300 . 1 . . . . 115 Glu CB . 18260 1 1345 . 1 1 115 115 GLU CG C 13 36.101 0.300 . 1 . . . . 115 Glu CG . 18260 1 1346 . 1 1 115 115 GLU N N 15 119.989 0.100 . 1 . . . . 115 Glu N . 18260 1 1347 . 1 1 116 116 ASN H H 1 7.853 0.020 . 1 . . . . 116 Asn H . 18260 1 1348 . 1 1 116 116 ASN HA H 1 4.834 0.020 . 1 . . . . 116 Asn HA . 18260 1 1349 . 1 1 116 116 ASN HB2 H 1 2.941 0.020 . 2 . . . . 116 Asn HB2 . 18260 1 1350 . 1 1 116 116 ASN HB3 H 1 2.806 0.020 . 2 . . . . 116 Asn HB3 . 18260 1 1351 . 1 1 116 116 ASN HD21 H 1 7.368 0.020 . 2 . . . . 116 Asn HD21 . 18260 1 1352 . 1 1 116 116 ASN HD22 H 1 6.952 0.020 . 2 . . . . 116 Asn HD22 . 18260 1 1353 . 1 1 116 116 ASN C C 13 174.794 0.300 . 1 . . . . 116 Asn C . 18260 1 1354 . 1 1 116 116 ASN CA C 13 53.714 0.300 . 1 . . . . 116 Asn CA . 18260 1 1355 . 1 1 116 116 ASN CB C 13 39.040 0.300 . 1 . . . . 116 Asn CB . 18260 1 1356 . 1 1 116 116 ASN CG C 13 176.811 0.300 . 1 . . . . 116 Asn CG . 18260 1 1357 . 1 1 116 116 ASN N N 15 116.559 0.100 . 1 . . . . 116 Asn N . 18260 1 1358 . 1 1 116 116 ASN ND2 N 15 112.365 0.100 . 1 . . . . 116 Asn ND2 . 18260 1 1359 . 1 1 117 117 SER H H 1 7.778 0.020 . 1 . . . . 117 Ser H . 18260 1 1360 . 1 1 117 117 SER HA H 1 4.473 0.020 . 1 . . . . 117 Ser HA . 18260 1 1361 . 1 1 117 117 SER HB2 H 1 4.020 0.020 . 1 . . . . 117 Ser HB2 . 18260 1 1362 . 1 1 117 117 SER HB3 H 1 4.020 0.020 . 1 . . . . 117 Ser HB3 . 18260 1 1363 . 1 1 117 117 SER C C 13 172.928 0.300 . 1 . . . . 117 Ser C . 18260 1 1364 . 1 1 117 117 SER CA C 13 58.405 0.300 . 1 . . . . 117 Ser CA . 18260 1 1365 . 1 1 117 117 SER CB C 13 64.057 0.300 . 1 . . . . 117 Ser CB . 18260 1 1366 . 1 1 117 117 SER N N 15 114.523 0.100 . 1 . . . . 117 Ser N . 18260 1 1367 . 1 1 118 118 ALA H H 1 7.610 0.020 . 1 . . . . 118 Ala H . 18260 1 1368 . 1 1 118 118 ALA HA H 1 4.150 0.020 . 1 . . . . 118 Ala HA . 18260 1 1369 . 1 1 118 118 ALA HB1 H 1 1.372 0.020 . 1 . . . . 118 Ala HB1 . 18260 1 1370 . 1 1 118 118 ALA HB2 H 1 1.372 0.020 . 1 . . . . 118 Ala HB2 . 18260 1 1371 . 1 1 118 118 ALA HB3 H 1 1.372 0.020 . 1 . . . . 118 Ala HB3 . 18260 1 1372 . 1 1 118 118 ALA C C 13 182.431 0.300 . 1 . . . . 118 Ala C . 18260 1 1373 . 1 1 118 118 ALA CA C 13 53.799 0.300 . 1 . . . . 118 Ala CA . 18260 1 1374 . 1 1 118 118 ALA CB C 13 20.051 0.300 . 1 . . . . 118 Ala CB . 18260 1 1375 . 1 1 118 118 ALA N N 15 130.609 0.100 . 1 . . . . 118 Ala N . 18260 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 18260 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _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 5 '3D HNCA' . . . 18260 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 1 1 MET H H 1 . . 1 1 1 1 MET HA H 1 . 4.4 . . . . . . 1 MET H . 1 MET HA . 18260 1 2 3JHNHA . 1 1 2 2 ALA H H 1 . . 1 1 2 2 ALA HA H 1 . 4.4 . . . . . . 2 ALA H . 2 ALA HA . 18260 1 3 3JHNHA . 1 1 3 3 ARG H H 1 . . 1 1 3 3 ARG HA H 1 . 4.2 . . . . . . 3 ARG H . 3 ARG HA . 18260 1 4 3JHNHA . 1 1 4 4 GLY H H 1 . . 1 1 4 4 GLY HA2 H 1 . 5.6 . . . . . . 4 GLY H . 4 GLY HA . 18260 1 5 3JHNHA . 1 1 4 4 GLY H H 1 . . 1 1 4 4 GLY HA3 H 1 . 5.6 . . . . . . 4 GLY H . 4 GLY HA . 18260 1 6 3JHNHA . 1 1 11 11 LEU H H 1 . . 1 1 11 11 LEU HA H 1 . 3.0 . . . . . . 11 LEU H . 11 LEU HA . 18260 1 7 3JHNHA . 1 1 17 17 VAL H H 1 . . 1 1 17 17 VAL HA H 1 . 6.6 . . . . . . 17 VAL H . 17 VAL HA . 18260 1 8 3JHNHA . 1 1 18 18 ALA H H 1 . . 1 1 18 18 ALA HA H 1 . 0.3 . . . . . . 18 ALA H . 18 ALA HA . 18260 1 9 3JHNHA . 1 1 19 19 ASN H H 1 . . 1 1 19 19 ASN HA H 1 . 2.5 . . . . . . 19 ASN H . 19 ASN HA . 18260 1 10 3JHNHA . 1 1 20 20 VAL H H 1 . . 1 1 20 20 VAL HA H 1 . 1.9 . . . . . . 20 VAL H . 20 VAL HA . 18260 1 11 3JHNHA . 1 1 21 21 GLU H H 1 . . 1 1 21 21 GLU HA H 1 . 3.7 . . . . . . 21 GLU H . 21 GLU HA . 18260 1 12 3JHNHA . 1 1 22 22 GLU H H 1 . . 1 1 22 22 GLU HA H 1 . 0.3 . . . . . . 22 GLU H . 22 GLU HA . 18260 1 13 3JHNHA . 1 1 24 24 GLU H H 1 . . 1 1 24 24 GLU HA H 1 . 4.0 . . . . . . 24 GLU H . 24 GLU HA . 18260 1 14 3JHNHA . 1 1 25 25 ALA H H 1 . . 1 1 25 25 ALA HA H 1 . 1.8 . . . . . . 25 ALA H . 25 ALA HA . 18260 1 15 3JHNHA . 1 1 26 26 TRP H H 1 . . 1 1 26 26 TRP HA H 1 . 2.6 . . . . . . 26 TRP H . 26 TRP HA . 18260 1 16 3JHNHA . 1 1 27 27 ILE H H 1 . . 1 1 27 27 ILE HA H 1 . 3.5 . . . . . . 27 ILE H . 27 ILE HA . 18260 1 17 3JHNHA . 1 1 28 28 ASN H H 1 . . 1 1 28 28 ASN HA H 1 . 4.4 . . . . . . 28 ASN H . 28 ASN HA . 18260 1 18 3JHNHA . 1 1 29 29 GLU H H 1 . . 1 1 29 29 GLU HA H 1 . 1.2 . . . . . . 29 GLU H . 29 GLU HA . 18260 1 19 3JHNHA . 1 1 30 30 LYS H H 1 . . 1 1 30 30 LYS HA H 1 . 3.9 . . . . . . 30 LYS H . 30 LYS HA . 18260 1 20 3JHNHA . 1 1 31 31 MET H H 1 . . 1 1 31 31 MET HA H 1 . 4.6 . . . . . . 31 MET H . 31 MET HA . 18260 1 21 3JHNHA . 1 1 32 32 THR H H 1 . . 1 1 32 32 THR HA H 1 . 3.5 . . . . . . 32 THR H . 32 THR HA . 18260 1 22 3JHNHA . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU HA H 1 . 5.0 . . . . . . 33 LEU H . 33 LEU HA . 18260 1 23 3JHNHA . 1 1 34 34 VAL H H 1 . . 1 1 34 34 VAL HA H 1 . 6.0 . . . . . . 34 VAL H . 34 VAL HA . 18260 1 24 3JHNHA . 1 1 35 35 ALA H H 1 . . 1 1 35 35 ALA HA H 1 . 8.1 . . . . . . 35 ALA H . 35 ALA HA . 18260 1 25 3JHNHA . 1 1 36 36 SER H H 1 . . 1 1 36 36 SER HA H 1 . 3.6 . . . . . . 36 SER H . 36 SER HA . 18260 1 26 3JHNHA . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU HA H 1 . 7.4 . . . . . . 37 GLU H . 37 GLU HA . 18260 1 27 3JHNHA . 1 1 38 38 ASP H H 1 . . 1 1 38 38 ASP HA H 1 . 6.0 . . . . . . 38 ASP H . 38 ASP HA . 18260 1 28 3JHNHA . 1 1 39 39 TYR H H 1 . . 1 1 39 39 TYR HA H 1 . 6.0 . . . . . . 39 TYR H . 39 TYR HA . 18260 1 29 3JHNHA . 1 1 40 40 GLY H H 1 . . 1 1 40 40 GLY HA2 H 1 . 3.5 . . . . . . 40 GLY H . 40 GLY HA . 18260 1 30 3JHNHA . 1 1 40 40 GLY H H 1 . . 1 1 40 40 GLY HA3 H 1 . 3.5 . . . . . . 40 GLY H . 40 GLY HA . 18260 1 31 3JHNHA . 1 1 41 41 ASP H H 1 . . 1 1 41 41 ASP HA H 1 . 6.3 . . . . . . 41 ASP H . 41 ASP HA . 18260 1 32 3JHNHA . 1 1 42 42 THR H H 1 . . 1 1 42 42 THR HA H 1 . 5.8 . . . . . . 42 THR H . 42 THR HA . 18260 1 33 3JHNHA . 1 1 43 43 LEU H H 1 . . 1 1 43 43 LEU HA H 1 . 4.7 . . . . . . 43 LEU H . 43 LEU HA . 18260 1 34 3JHNHA . 1 1 44 44 ALA H H 1 . . 1 1 44 44 ALA HA H 1 . 2.9 . . . . . . 44 ALA H . 44 ALA HA . 18260 1 35 3JHNHA . 1 1 45 45 ALA H H 1 . . 1 1 45 45 ALA HA H 1 . 3.7 . . . . . . 45 ALA H . 45 ALA HA . 18260 1 36 3JHNHA . 1 1 46 46 ILE H H 1 . . 1 1 46 46 ILE HA H 1 . 5.1 . . . . . . 46 ILE H . 46 ILE HA . 18260 1 37 3JHNHA . 1 1 47 47 GLN H H 1 . . 1 1 47 47 GLN HA H 1 . 3.3 . . . . . . 47 GLN H . 47 GLN HA . 18260 1 38 3JHNHA . 1 1 48 48 GLY H H 1 . . 1 1 48 48 GLY HA2 H 1 . 3.4 . . . . . . 48 GLY H . 48 GLY HA . 18260 1 39 3JHNHA . 1 1 48 48 GLY H H 1 . . 1 1 48 48 GLY HA3 H 1 . 3.4 . . . . . . 48 GLY H . 48 GLY HA . 18260 1 40 3JHNHA . 1 1 49 49 LEU H H 1 . . 1 1 49 49 LEU HA H 1 . 3.4 . . . . . . 49 LEU H . 49 LEU HA . 18260 1 41 3JHNHA . 1 1 50 50 LEU H H 1 . . 1 1 50 50 LEU HA H 1 . 2.7 . . . . . . 50 LEU H . 50 LEU HA . 18260 1 42 3JHNHA . 1 1 51 51 LYS H H 1 . . 1 1 51 51 LYS HA H 1 . 4.3 . . . . . . 51 LYS H . 51 LYS HA . 18260 1 43 3JHNHA . 1 1 52 52 LYS H H 1 . . 1 1 52 52 LYS HA H 1 . 4.1 . . . . . . 52 LYS H . 52 LYS HA . 18260 1 44 3JHNHA . 1 1 53 53 HIS H H 1 . . 1 1 53 53 HIS HA H 1 . 1.4 . . . . . . 53 HIS H . 53 HIS HA . 18260 1 45 3JHNHA . 1 1 54 54 GLU H H 1 . . 1 1 54 54 GLU HA H 1 . 2.6 . . . . . . 54 GLU H . 54 GLU HA . 18260 1 46 3JHNHA . 1 1 55 55 ALA H H 1 . . 1 1 55 55 ALA HA H 1 . 4.1 . . . . . . 55 ALA H . 55 ALA HA . 18260 1 47 3JHNHA . 1 1 56 56 PHE H H 1 . . 1 1 56 56 PHE HA H 1 . 0.1 . . . . . . 56 PHE H . 56 PHE HA . 18260 1 48 3JHNHA . 1 1 57 57 GLU H H 1 . . 1 1 57 57 GLU HA H 1 . 4.1 . . . . . . 57 GLU H . 57 GLU HA . 18260 1 49 3JHNHA . 1 1 58 58 THR H H 1 . . 1 1 58 58 THR HA H 1 . 2.8 . . . . . . 58 THR H . 58 THR HA . 18260 1 50 3JHNHA . 1 1 59 59 ASP H H 1 . . 1 1 59 59 ASP HA H 1 . 4.2 . . . . . . 59 ASP H . 59 ASP HA . 18260 1 51 3JHNHA . 1 1 60 60 PHE H H 1 . . 1 1 60 60 PHE HA H 1 . 1.2 . . . . . . 60 PHE H . 60 PHE HA . 18260 1 52 3JHNHA . 1 1 61 61 THR H H 1 . . 1 1 61 61 THR HA H 1 . 2.7 . . . . . . 61 THR H . 61 THR HA . 18260 1 53 3JHNHA . 1 1 62 62 VAL H H 1 . . 1 1 62 62 VAL HA H 1 . 5.4 . . . . . . 62 VAL H . 62 VAL HA . 18260 1 54 3JHNHA . 1 1 64 64 LYS H H 1 . . 1 1 64 64 LYS HA H 1 . 2.7 . . . . . . 64 LYS H . 64 LYS HA . 18260 1 55 3JHNHA . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP HA H 1 . 4.3 . . . . . . 65 ASP H . 65 ASP HA . 18260 1 56 3JHNHA . 1 1 66 66 ARG H H 1 . . 1 1 66 66 ARG HA H 1 . 2.4 . . . . . . 66 ARG H . 66 ARG HA . 18260 1 57 3JHNHA . 1 1 67 67 VAL H H 1 . . 1 1 67 67 VAL HA H 1 . 1.8 . . . . . . 67 VAL H . 67 VAL HA . 18260 1 58 3JHNHA . 1 1 68 68 ASN H H 1 . . 1 1 68 68 ASN HA H 1 . 4.5 . . . . . . 68 ASN H . 68 ASN HA . 18260 1 59 3JHNHA . 1 1 69 69 ASP H H 1 . . 1 1 69 69 ASP HA H 1 . 2.7 . . . . . . 69 ASP H . 69 ASP HA . 18260 1 60 3JHNHA . 1 1 70 70 VAL H H 1 . . 1 1 70 70 VAL HA H 1 . 1.8 . . . . . . 70 VAL H . 70 VAL HA . 18260 1 61 3JHNHA . 1 1 71 71 CYS H H 1 . . 1 1 71 71 CYS HA H 1 . 4.6 . . . . . . 71 CYS H . 71 CYS HA . 18260 1 62 3JHNHA . 1 1 72 72 ALA H H 1 . . 1 1 72 72 ALA HA H 1 . 2.6 . . . . . . 72 ALA H . 72 ALA HA . 18260 1 63 3JHNHA . 1 1 73 73 ASN H H 1 . . 1 1 73 73 ASN HA H 1 . 1.8 . . . . . . 73 ASN H . 73 ASN HA . 18260 1 64 3JHNHA . 1 1 75 75 GLU H H 1 . . 1 1 75 75 GLU HA H 1 . 3.4 . . . . . . 75 GLU H . 75 GLU HA . 18260 1 65 3JHNHA . 1 1 77 77 LEU H H 1 . . 1 1 77 77 LEU HA H 1 . 1.6 . . . . . . 77 LEU H . 77 LEU HA . 18260 1 66 3JHNHA . 1 1 85 85 VAL H H 1 . . 1 1 85 85 VAL HA H 1 . 2.8 . . . . . . 85 VAL H . 85 VAL HA . 18260 1 67 3JHNHA . 1 1 86 86 GLU H H 1 . . 1 1 86 86 GLU HA H 1 . 6.6 . . . . . . 86 GLU H . 86 GLU HA . 18260 1 68 3JHNHA . 1 1 87 87 ASN H H 1 . . 1 1 87 87 ASN HA H 1 . 2.2 . . . . . . 87 ASN H . 87 ASN HA . 18260 1 69 3JHNHA . 1 1 89 89 THR H H 1 . . 1 1 89 89 THR HA H 1 . 3.9 . . . . . . 89 THR H . 89 THR HA . 18260 1 70 3JHNHA . 1 1 90 90 ALA H H 1 . . 1 1 90 90 ALA HA H 1 . 6.4 . . . . . . 90 ALA H . 90 ALA HA . 18260 1 71 3JHNHA . 1 1 91 91 LYS H H 1 . . 1 1 91 91 LYS HA H 1 . 3.8 . . . . . . 91 LYS H . 91 LYS HA . 18260 1 72 3JHNHA . 1 1 95 95 LEU H H 1 . . 1 1 95 95 LEU HA H 1 . 4.0 . . . . . . 95 LEU H . 95 LEU HA . 18260 1 73 3JHNHA . 1 1 96 96 LYS H H 1 . . 1 1 96 96 LYS HA H 1 . 1.3 . . . . . . 96 LYS H . 96 LYS HA . 18260 1 74 3JHNHA . 1 1 98 98 LYS H H 1 . . 1 1 98 98 LYS HA H 1 . 0.1 . . . . . . 98 LYS H . 98 LYS HA . 18260 1 75 3JHNHA . 1 1 99 99 VAL H H 1 . . 1 1 99 99 VAL HA H 1 . 2.6 . . . . . . 99 VAL H . 99 VAL HA . 18260 1 76 3JHNHA . 1 1 100 100 SER H H 1 . . 1 1 100 100 SER HA H 1 . 5.2 . . . . . . 100 SER H . 100 SER HA . 18260 1 77 3JHNHA . 1 1 101 101 ASP H H 1 . . 1 1 101 101 ASP HA H 1 . 2.6 . . . . . . 101 ASP H . 101 ASP HA . 18260 1 78 3JHNHA . 1 1 102 102 LEU H H 1 . . 1 1 102 102 LEU HA H 1 . 5.1 . . . . . . 102 LEU H . 102 LEU HA . 18260 1 79 3JHNHA . 1 1 103 103 GLU H H 1 . . 1 1 103 103 GLU HA H 1 . 4.0 . . . . . . 103 GLU H . 103 GLU HA . 18260 1 80 3JHNHA . 1 1 104 104 LYS H H 1 . . 1 1 104 104 LYS HA H 1 . 1.3 . . . . . . 104 LYS H . 104 LYS HA . 18260 1 81 3JHNHA . 1 1 105 105 ALA H H 1 . . 1 1 105 105 ALA HA H 1 . 2.7 . . . . . . 105 ALA H . 105 ALA HA . 18260 1 82 3JHNHA . 1 1 106 106 ALA H H 1 . . 1 1 106 106 ALA HA H 1 . 2.6 . . . . . . 106 ALA H . 106 ALA HA . 18260 1 83 3JHNHA . 1 1 107 107 ALA H H 1 . . 1 1 107 107 ALA HA H 1 . 2.7 . . . . . . 107 ALA H . 107 ALA HA . 18260 1 84 3JHNHA . 1 1 108 108 GLN H H 1 . . 1 1 108 108 GLN HA H 1 . 1.7 . . . . . . 108 GLN H . 108 GLN HA . 18260 1 85 3JHNHA . 1 1 109 109 ARG H H 1 . . 1 1 109 109 ARG HA H 1 . 2.6 . . . . . . 109 ARG H . 109 ARG HA . 18260 1 86 3JHNHA . 1 1 110 110 LYS H H 1 . . 1 1 110 110 LYS HA H 1 . 1.7 . . . . . . 110 LYS H . 110 LYS HA . 18260 1 87 3JHNHA . 1 1 111 111 ALA H H 1 . . 1 1 111 111 ALA HA H 1 . 3.5 . . . . . . 111 ALA H . 111 ALA HA . 18260 1 88 3JHNHA . 1 1 112 112 LYS H H 1 . . 1 1 112 112 LYS HA H 1 . 2.6 . . . . . . 112 LYS H . 112 LYS HA . 18260 1 89 3JHNHA . 1 1 113 113 LEU H H 1 . . 1 1 113 113 LEU HA H 1 . 2.6 . . . . . . 113 LEU H . 113 LEU HA . 18260 1 90 3JHNHA . 1 1 114 114 ASP H H 1 . . 1 1 114 114 ASP HA H 1 . 1.7 . . . . . . 114 ASP H . 114 ASP HA . 18260 1 91 3JHNHA . 1 1 115 115 GLU H H 1 . . 1 1 115 115 GLU HA H 1 . 4.3 . . . . . . 115 GLU H . 115 GLU HA . 18260 1 92 3JHNHA . 1 1 116 116 ASN H H 1 . . 1 1 116 116 ASN HA H 1 . 1.7 . . . . . . 116 ASN H . 116 ASN HA . 18260 1 93 3JHNHA . 1 1 117 117 SER H H 1 . . 1 1 117 117 SER HA H 1 . 6.6 . . . . . . 117 SER H . 117 SER HA . 18260 1 94 3JHNHA . 1 1 118 118 ALA H H 1 . . 1 1 118 118 ALA HA H 1 . 6.5 . . . . . . 118 ALA H . 118 ALA HA . 18260 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18260 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1e+7 _Heteronucl_NOE_list.NOE_ref_description 'Peak heights of each peak with and without presaturation were compared (interleaved mode)' _Heteronucl_NOE_list.Details 'The presented results are an average of three performed experiments with the same conditions.' _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 18260 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 ARG N N 15 . 1 1 6 6 ARG H H 1 0.388 0.014 . . . 6 ARG N . 6 ARG H 18260 1 2 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.474 0.069 . . . 7 LEU N . 7 LEU H 18260 1 3 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.512 0.023 . . . 8 GLU N . 8 GLU H 18260 1 4 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.800 0.019 . . . 11 LEU N . 11 LEU H 18260 1 5 . 1 1 13 13 TYR N N 15 . 1 1 13 13 TYR H H 1 0.727 0.012 . . . 13 TYR N . 13 TYR H 18260 1 6 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.853 0.014 . . . 16 PHE N . 16 PHE H 18260 1 7 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.823 0.050 . . . 17 VAL N . 17 VAL H 18260 1 8 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.867 0.021 . . . 18 ALA N . 18 ALA H 18260 1 9 . 1 1 20 20 VAL N N 15 . 1 1 20 20 VAL H H 1 0.758 0.020 . . . 20 VAL N . 20 VAL H 18260 1 10 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.867 0.053 . . . 21 GLU N . 21 GLU H 18260 1 11 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.687 0.058 . . . 22 GLU N . 22 GLU H 18260 1 12 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.626 0.051 . . . 23 GLU N . 23 GLU H 18260 1 13 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.814 0.015 . . . 24 GLU N . 24 GLU H 18260 1 14 . 1 1 26 26 TRP N N 15 . 1 1 26 26 TRP H H 1 0.862 0.061 . . . 26 TRP N . 26 TRP H 18260 1 15 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.785 0.017 . . . 28 ASN N . 28 ASN H 18260 1 16 . 1 1 29 29 GLU N N 15 . 1 1 29 29 GLU H H 1 0.786 0.008 . . . 29 GLU N . 29 GLU H 18260 1 17 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.820 0.012 . . . 30 LYS N . 30 LYS H 18260 1 18 . 1 1 31 31 MET N N 15 . 1 1 31 31 MET H H 1 0.788 0.018 . . . 31 MET N . 31 MET H 18260 1 19 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.795 0.016 . . . 32 THR N . 32 THR H 18260 1 20 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.764 0.029 . . . 33 LEU N . 33 LEU H 18260 1 21 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.667 0.020 . . . 34 VAL N . 34 VAL H 18260 1 22 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.776 0.012 . . . 35 ALA N . 35 ALA H 18260 1 23 . 1 1 36 36 SER N N 15 . 1 1 36 36 SER H H 1 0.558 0.011 . . . 36 SER N . 36 SER H 18260 1 24 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.649 0.020 . . . 37 GLU N . 37 GLU H 18260 1 25 . 1 1 38 38 ASP N N 15 . 1 1 38 38 ASP H H 1 0.619 0.032 . . . 38 ASP N . 38 ASP H 18260 1 26 . 1 1 39 39 TYR N N 15 . 1 1 39 39 TYR H H 1 0.642 0.010 . . . 39 TYR N . 39 TYR H 18260 1 27 . 1 1 40 40 GLY N N 15 . 1 1 40 40 GLY H H 1 0.619 0.010 . . . 40 GLY N . 40 GLY H 18260 1 28 . 1 1 41 41 ASP N N 15 . 1 1 41 41 ASP H H 1 0.577 0.008 . . . 41 ASP N . 41 ASP H 18260 1 29 . 1 1 42 42 THR N N 15 . 1 1 42 42 THR H H 1 0.545 0.015 . . . 42 THR N . 42 THR H 18260 1 30 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.731 0.037 . . . 43 LEU N . 43 LEU H 18260 1 31 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.701 0.022 . . . 44 ALA N . 44 ALA H 18260 1 32 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.656 0.015 . . . 45 ALA N . 45 ALA H 18260 1 33 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.659 0.024 . . . 46 ILE N . 46 ILE H 18260 1 34 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.741 0.021 . . . 48 GLY N . 48 GLY H 18260 1 35 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.811 0.029 . . . 50 LEU N . 50 LEU H 18260 1 36 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.804 0.011 . . . 51 LYS N . 51 LYS H 18260 1 37 . 1 1 52 52 LYS N N 15 . 1 1 52 52 LYS H H 1 0.777 0.028 . . . 52 LYS N . 52 LYS H 18260 1 38 . 1 1 53 53 HIS N N 15 . 1 1 53 53 HIS H H 1 0.833 0.031 . . . 53 HIS N . 53 HIS H 18260 1 39 . 1 1 54 54 GLU N N 15 . 1 1 54 54 GLU H H 1 0.761 0.010 . . . 54 GLU N . 54 GLU H 18260 1 40 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.818 0.010 . . . 55 ALA N . 55 ALA H 18260 1 41 . 1 1 56 56 PHE N N 15 . 1 1 56 56 PHE H H 1 0.821 0.014 . . . 56 PHE N . 56 PHE H 18260 1 42 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.832 0.026 . . . 57 GLU N . 57 GLU H 18260 1 43 . 1 1 58 58 THR N N 15 . 1 1 58 58 THR H H 1 0.839 0.016 . . . 58 THR N . 58 THR H 18260 1 44 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 0.811 0.008 . . . 59 ASP N . 59 ASP H 18260 1 45 . 1 1 60 60 PHE N N 15 . 1 1 60 60 PHE H H 1 0.886 0.006 . . . 60 PHE N . 60 PHE H 18260 1 46 . 1 1 61 61 THR N N 15 . 1 1 61 61 THR H H 1 0.883 0.019 . . . 61 THR N . 61 THR H 18260 1 47 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.819 0.012 . . . 62 VAL N . 62 VAL H 18260 1 48 . 1 1 63 63 HIS N N 15 . 1 1 63 63 HIS H H 1 0.814 0.019 . . . 63 HIS N . 63 HIS H 18260 1 49 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.859 0.020 . . . 64 LYS N . 64 LYS H 18260 1 50 . 1 1 65 65 ASP N N 15 . 1 1 65 65 ASP H H 1 0.855 0.019 . . . 65 ASP N . 65 ASP H 18260 1 51 . 1 1 66 66 ARG N N 15 . 1 1 66 66 ARG H H 1 0.836 0.015 . . . 66 ARG N . 66 ARG H 18260 1 52 . 1 1 67 67 VAL N N 15 . 1 1 67 67 VAL H H 1 0.842 0.047 . . . 67 VAL N . 67 VAL H 18260 1 53 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.803 0.018 . . . 68 ASN N . 68 ASN H 18260 1 54 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.844 0.033 . . . 69 ASP N . 69 ASP H 18260 1 55 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.779 0.025 . . . 70 VAL N . 70 VAL H 18260 1 56 . 1 1 71 71 CYS N N 15 . 1 1 71 71 CYS H H 1 0.853 0.021 . . . 71 CYS N . 71 CYS H 18260 1 57 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.803 0.012 . . . 72 ALA N . 72 ALA H 18260 1 58 . 1 1 74 74 GLY N N 15 . 1 1 74 74 GLY H H 1 0.832 0.046 . . . 74 GLY N . 74 GLY H 18260 1 59 . 1 1 75 75 GLU N N 15 . 1 1 75 75 GLU H H 1 0.909 0.037 . . . 75 GLU N . 75 GLU H 18260 1 60 . 1 1 76 76 ASP N N 15 . 1 1 76 76 ASP H H 1 0.804 0.008 . . . 76 ASP N . 76 ASP H 18260 1 61 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.839 0.052 . . . 77 LEU N . 77 LEU H 18260 1 62 . 1 1 78 78 ILE N N 15 . 1 1 78 78 ILE H H 1 0.783 0.042 . . . 78 ILE N . 78 ILE H 18260 1 63 . 1 1 80 80 LYS N N 15 . 1 1 80 80 LYS H H 1 0.769 0.015 . . . 80 LYS N . 80 LYS H 18260 1 64 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.672 0.045 . . . 81 ASN N . 81 ASN H 18260 1 65 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.750 0.037 . . . 85 VAL N . 85 VAL H 18260 1 66 . 1 1 86 86 GLU N N 15 . 1 1 86 86 GLU H H 1 0.760 0.033 . . . 86 GLU N . 86 GLU H 18260 1 67 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.760 0.038 . . . 88 ILE N . 88 ILE H 18260 1 68 . 1 1 89 89 THR N N 15 . 1 1 89 89 THR H H 1 0.863 0.006 . . . 89 THR N . 89 THR H 18260 1 69 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 0.808 0.022 . . . 90 ALA N . 90 ALA H 18260 1 70 . 1 1 93 93 LYS N N 15 . 1 1 93 93 LYS H H 1 0.658 0.057 . . . 93 LYS N . 93 LYS H 18260 1 71 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.855 0.019 . . . 94 GLY N . 94 GLY H 18260 1 72 . 1 1 95 95 LEU N N 15 . 1 1 95 95 LEU H H 1 0.839 0.031 . . . 95 LEU N . 95 LEU H 18260 1 73 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 0.864 0.031 . . . 96 LYS N . 96 LYS H 18260 1 74 . 1 1 97 97 GLY N N 15 . 1 1 97 97 GLY H H 1 0.848 0.026 . . . 97 GLY N . 97 GLY H 18260 1 75 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.777 0.030 . . . 98 LYS N . 98 LYS H 18260 1 76 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.787 0.006 . . . 99 VAL N . 99 VAL H 18260 1 77 . 1 1 100 100 SER N N 15 . 1 1 100 100 SER H H 1 0.852 0.017 . . . 100 SER N . 100 SER H 18260 1 78 . 1 1 101 101 ASP N N 15 . 1 1 101 101 ASP H H 1 0.898 0.021 . . . 101 ASP N . 101 ASP H 18260 1 79 . 1 1 103 103 GLU N N 15 . 1 1 103 103 GLU H H 1 0.877 0.026 . . . 103 GLU N . 103 GLU H 18260 1 80 . 1 1 104 104 LYS N N 15 . 1 1 104 104 LYS H H 1 0.788 0.016 . . . 104 LYS N . 104 LYS H 18260 1 81 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.846 0.009 . . . 105 ALA N . 105 ALA H 18260 1 82 . 1 1 106 106 ALA N N 15 . 1 1 106 106 ALA H H 1 0.896 0.009 . . . 106 ALA N . 106 ALA H 18260 1 83 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 0.852 0.018 . . . 107 ALA N . 107 ALA H 18260 1 84 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.849 0.015 . . . 108 GLN N . 108 GLN H 18260 1 85 . 1 1 109 109 ARG N N 15 . 1 1 109 109 ARG H H 1 0.851 0.012 . . . 109 ARG N . 109 ARG H 18260 1 86 . 1 1 110 110 LYS N N 15 . 1 1 110 110 LYS H H 1 0.792 0.020 . . . 110 LYS N . 110 LYS H 18260 1 87 . 1 1 111 111 ALA N N 15 . 1 1 111 111 ALA H H 1 0.813 0.024 . . . 111 ALA N . 111 ALA H 18260 1 88 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.771 0.007 . . . 112 LYS N . 112 LYS H 18260 1 89 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.652 0.041 . . . 113 LEU N . 113 LEU H 18260 1 90 . 1 1 114 114 ASP N N 15 . 1 1 114 114 ASP H H 1 0.720 0.016 . . . 114 ASP N . 114 ASP H 18260 1 91 . 1 1 115 115 GLU N N 15 . 1 1 115 115 GLU H H 1 0.591 0.011 . . . 115 GLU N . 115 GLU H 18260 1 92 . 1 1 116 116 ASN N N 15 . 1 1 116 116 ASN H H 1 0.514 0.018 . . . 116 ASN N . 116 ASN H 18260 1 93 . 1 1 117 117 SER N N 15 . 1 1 117 117 SER H H 1 0.365 0.007 . . . 117 SER N . 117 SER H 18260 1 94 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 0.004 0.016 . . . 118 ALA N . 118 ALA H 18260 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 18260 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details 'The results are an average of three parallels with 10 different T1 delays each' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 18260 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N N 15 0.659 0.002 . . 2 ALA N 18260 1 2 . 1 1 3 3 ARG N N 15 0.580 0.002 . . 3 ARG N 18260 1 3 . 1 1 4 4 GLY N N 15 0.578 0.017 . . 4 GLY N 18260 1 4 . 1 1 6 6 ARG N N 15 0.626 0.007 . . 6 ARG N 18260 1 5 . 1 1 7 7 LEU N N 15 0.926 0.019 . . 7 LEU N 18260 1 6 . 1 1 8 8 GLU N N 15 0.649 0.012 . . 8 GLU N 18260 1 7 . 1 1 11 11 LEU N N 15 0.762 0.004 . . 11 LEU N 18260 1 8 . 1 1 13 13 TYR N N 15 0.847 0.014 . . 13 TYR N 18260 1 9 . 1 1 16 16 PHE N N 15 1.077 0.016 . . 16 PHE N 18260 1 10 . 1 1 17 17 VAL N N 15 0.852 0.020 . . 17 VAL N 18260 1 11 . 1 1 18 18 ALA N N 15 0.980 0.003 . . 18 ALA N 18260 1 12 . 1 1 20 20 VAL N N 15 1.021 0.010 . . 20 VAL N 18260 1 13 . 1 1 21 21 GLU N N 15 0.934 0.034 . . 21 GLU N 18260 1 14 . 1 1 22 22 GLU N N 15 0.772 0.022 . . 22 GLU N 18260 1 15 . 1 1 23 23 GLU N N 15 0.700 0.010 . . 23 GLU N 18260 1 16 . 1 1 24 24 GLU N N 15 1.033 0.011 . . 24 GLU N 18260 1 17 . 1 1 26 26 TRP N N 15 1.014 0.004 . . 26 TRP N 18260 1 18 . 1 1 28 28 ASN N N 15 1.010 0.002 . . 28 ASN N 18260 1 19 . 1 1 29 29 GLU N N 15 0.899 0.003 . . 29 GLU N 18260 1 20 . 1 1 30 30 LYS N N 15 1.008 0.010 . . 30 LYS N 18260 1 21 . 1 1 31 31 MET N N 15 1.007 0.002 . . 31 MET N 18260 1 22 . 1 1 32 32 THR N N 15 0.917 0.001 . . 32 THR N 18260 1 23 . 1 1 33 33 LEU N N 15 0.983 0.002 . . 33 LEU N 18260 1 24 . 1 1 34 34 VAL N N 15 1.043 0.002 . . 34 VAL N 18260 1 25 . 1 1 35 35 ALA N N 15 0.830 0.004 . . 35 ALA N 18260 1 26 . 1 1 36 36 SER N N 15 0.807 0.004 . . 36 SER N 18260 1 27 . 1 1 37 37 GLU N N 15 0.639 0.005 . . 37 GLU N 18260 1 28 . 1 1 38 38 ASP N N 15 0.834 0.002 . . 38 ASP N 18260 1 29 . 1 1 39 39 TYR N N 15 0.709 0.001 . . 39 TYR N 18260 1 30 . 1 1 40 40 GLY N N 15 0.695 0.003 . . 40 GLY N 18260 1 31 . 1 1 41 41 ASP N N 15 0.694 0.001 . . 41 ASP N 18260 1 32 . 1 1 42 42 THR N N 15 1.008 0.001 . . 42 THR N 18260 1 33 . 1 1 43 43 LEU N N 15 0.835 0.004 . . 43 LEU N 18260 1 34 . 1 1 44 44 ALA N N 15 0.761 0.005 . . 44 ALA N 18260 1 35 . 1 1 45 45 ALA N N 15 0.802 0.001 . . 45 ALA N 18260 1 36 . 1 1 46 46 ILE N N 15 0.889 0.006 . . 46 ILE N 18260 1 37 . 1 1 48 48 GLY N N 15 0.829 0.002 . . 48 GLY N 18260 1 38 . 1 1 50 50 LEU N N 15 1.006 0.002 . . 50 LEU N 18260 1 39 . 1 1 51 51 LYS N N 15 0.911 0.002 . . 51 LYS N 18260 1 40 . 1 1 52 52 LYS N N 15 0.942 0.002 . . 52 LYS N 18260 1 41 . 1 1 53 53 HIS N N 15 0.995 0.003 . . 53 HIS N 18260 1 42 . 1 1 54 54 GLU N N 15 1.070 0.004 . . 54 GLU N 18260 1 43 . 1 1 55 55 ALA N N 15 0.871 0.002 . . 55 ALA N 18260 1 44 . 1 1 56 56 PHE N N 15 0.975 0.004 . . 56 PHE N 18260 1 45 . 1 1 57 57 GLU N N 15 1.012 0.003 . . 57 GLU N 18260 1 46 . 1 1 58 58 THR N N 15 0.907 0.005 . . 58 THR N 18260 1 47 . 1 1 59 59 ASP N N 15 0.946 0.002 . . 59 ASP N 18260 1 48 . 1 1 60 60 PHE N N 15 1.031 0.003 . . 60 PHE N 18260 1 49 . 1 1 61 61 THR N N 15 0.980 0.002 . . 61 THR N 18260 1 50 . 1 1 62 62 VAL N N 15 0.916 0.002 . . 62 VAL N 18260 1 51 . 1 1 63 63 HIS N N 15 1.013 0.007 . . 63 HIS N 18260 1 52 . 1 1 64 64 LYS N N 15 0.963 0.002 . . 64 LYS N 18260 1 53 . 1 1 65 65 ASP N N 15 0.916 0.002 . . 65 ASP N 18260 1 54 . 1 1 66 66 ARG N N 15 0.964 0.003 . . 66 ARG N 18260 1 55 . 1 1 67 67 VAL N N 15 1.049 0.012 . . 67 VAL N 18260 1 56 . 1 1 68 68 ASN N N 15 0.929 0.007 . . 68 ASN N 18260 1 57 . 1 1 69 69 ASP N N 15 0.961 0.002 . . 69 ASP N 18260 1 58 . 1 1 70 70 VAL N N 15 1.082 0.013 . . 70 VAL N 18260 1 59 . 1 1 71 71 CYS N N 15 0.932 0.003 . . 71 CYS N 18260 1 60 . 1 1 72 72 ALA N N 15 0.975 0.002 . . 72 ALA N 18260 1 61 . 1 1 74 74 GLY N N 15 1.028 0.005 . . 74 GLY N 18260 1 62 . 1 1 75 75 GLU N N 15 0.892 0.012 . . 75 GLU N 18260 1 63 . 1 1 76 76 ASP N N 15 0.898 0.004 . . 76 ASP N 18260 1 64 . 1 1 77 77 LEU N N 15 1.066 0.016 . . 77 LEU N 18260 1 65 . 1 1 78 78 ILE N N 15 0.949 0.012 . . 78 ILE N 18260 1 66 . 1 1 80 80 LYS N N 15 0.955 0.010 . . 80 LYS N 18260 1 67 . 1 1 81 81 ASN N N 15 0.818 0.011 . . 81 ASN N 18260 1 68 . 1 1 85 85 VAL N N 15 0.890 0.014 . . 85 VAL N 18260 1 69 . 1 1 86 86 GLU N N 15 0.838 0.010 . . 86 GLU N 18260 1 70 . 1 1 88 88 ILE N N 15 0.841 0.005 . . 88 ILE N 18260 1 71 . 1 1 89 89 THR N N 15 0.957 0.003 . . 89 THR N 18260 1 72 . 1 1 90 90 ALA N N 15 0.962 0.017 . . 90 ALA N 18260 1 73 . 1 1 93 93 LYS N N 15 0.823 0.015 . . 93 LYS N 18260 1 74 . 1 1 94 94 GLY N N 15 1.040 0.011 . . 94 GLY N 18260 1 75 . 1 1 95 95 LEU N N 15 1.088 0.005 . . 95 LEU N 18260 1 76 . 1 1 96 96 LYS N N 15 1.037 0.004 . . 96 LYS N 18260 1 77 . 1 1 97 97 GLY N N 15 1.007 0.009 . . 97 GLY N 18260 1 78 . 1 1 98 98 LYS N N 15 1.069 0.003 . . 98 LYS N 18260 1 79 . 1 1 99 99 VAL N N 15 1.017 0.010 . . 99 VAL N 18260 1 80 . 1 1 100 100 SER N N 15 1.085 0.003 . . 100 SER N 18260 1 81 . 1 1 101 101 ASP N N 15 1.071 0.002 . . 101 ASP N 18260 1 82 . 1 1 103 103 GLU N N 15 1.078 0.003 . . 103 GLU N 18260 1 83 . 1 1 104 104 LYS N N 15 1.046 0.003 . . 104 LYS N 18260 1 84 . 1 1 105 105 ALA N N 15 1.098 0.002 . . 105 ALA N 18260 1 85 . 1 1 106 106 ALA N N 15 1.032 0.002 . . 106 ALA N 18260 1 86 . 1 1 107 107 ALA N N 15 1.056 0.003 . . 107 ALA N 18260 1 87 . 1 1 108 108 GLN N N 15 1.070 0.008 . . 108 GLN N 18260 1 88 . 1 1 109 109 ARG N N 15 1.058 0.010 . . 109 ARG N 18260 1 89 . 1 1 110 110 LYS N N 15 1.032 0.009 . . 110 LYS N 18260 1 90 . 1 1 111 111 ALA N N 15 0.965 0.006 . . 111 ALA N 18260 1 91 . 1 1 112 112 LYS N N 15 1.055 0.006 . . 112 LYS N 18260 1 92 . 1 1 113 113 LEU N N 15 0.914 0.007 . . 113 LEU N 18260 1 93 . 1 1 114 114 ASP N N 15 0.943 0.002 . . 114 ASP N 18260 1 94 . 1 1 115 115 GLU N N 15 0.848 0.001 . . 115 GLU N 18260 1 95 . 1 1 116 116 ASN N N 15 0.784 0.001 . . 116 ASN N 18260 1 96 . 1 1 117 117 SER N N 15 0.664 0.001 . . 117 SER N 18260 1 97 . 1 1 118 118 ALA N N 15 0.766 0.000 . . 118 ALA N 18260 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 18260 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'The results are an average of three parallels using 9 different T2 delays each' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 18260 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N N 15 0.148 0.000 . . . . 2 ALA N 18260 1 2 . 1 1 3 3 ARG N N 15 0.145 0.001 . . . . 3 ARG N 18260 1 3 . 1 1 4 4 GLY N N 15 0.116 0.003 . . . . 4 GLY N 18260 1 4 . 1 1 6 6 ARG N N 15 0.060 0.000 . . . . 6 ARG N 18260 1 5 . 1 1 7 7 LEU N N 15 0.060 0.001 . . . . 7 LEU N 18260 1 6 . 1 1 8 8 GLU N N 15 0.062 0.001 . . . . 8 GLU N 18260 1 7 . 1 1 11 11 LEU N N 15 0.054 0.000 . . . . 11 LEU N 18260 1 8 . 1 1 13 13 TYR N N 15 0.065 0.002 . . . . 13 TYR N 18260 1 9 . 1 1 16 16 PHE N N 15 0.050 0.001 . . . . 16 PHE N 18260 1 10 . 1 1 17 17 VAL N N 15 0.056 0.001 . . . . 17 VAL N 18260 1 11 . 1 1 18 18 ALA N N 15 0.054 0.000 . . . . 18 ALA N 18260 1 12 . 1 1 20 20 VAL N N 15 0.059 0.001 . . . . 20 VAL N 18260 1 13 . 1 1 21 21 GLU N N 15 0.067 0.002 . . . . 21 GLU N 18260 1 14 . 1 1 22 22 GLU N N 15 0.069 0.002 . . . . 22 GLU N 18260 1 15 . 1 1 23 23 GLU N N 15 0.060 0.001 . . . . 23 GLU N 18260 1 16 . 1 1 24 24 GLU N N 15 0.051 0.000 . . . . 24 GLU N 18260 1 17 . 1 1 26 26 TRP N N 15 0.054 0.000 . . . . 26 TRP N 18260 1 18 . 1 1 28 28 ASN N N 15 0.054 0.000 . . . . 28 ASN N 18260 1 19 . 1 1 29 29 GLU N N 15 0.064 0.000 . . . . 29 GLU N 18260 1 20 . 1 1 30 30 LYS N N 15 0.055 0.001 . . . . 30 LYS N 18260 1 21 . 1 1 31 31 MET N N 15 0.051 0.000 . . . . 31 MET N 18260 1 22 . 1 1 32 32 THR N N 15 0.071 0.000 . . . . 32 THR N 18260 1 23 . 1 1 33 33 LEU N N 15 0.059 0.000 . . . . 33 LEU N 18260 1 24 . 1 1 34 34 VAL N N 15 0.054 0.000 . . . . 34 VAL N 18260 1 25 . 1 1 35 35 ALA N N 15 0.066 0.000 . . . . 35 ALA N 18260 1 26 . 1 1 36 36 SER N N 15 0.104 0.001 . . . . 36 SER N 18260 1 27 . 1 1 37 37 GLU N N 15 0.074 0.000 . . . . 37 GLU N 18260 1 28 . 1 1 38 38 ASP N N 15 0.062 0.000 . . . . 38 ASP N 18260 1 29 . 1 1 39 39 TYR N N 15 0.078 0.000 . . . . 39 TYR N 18260 1 30 . 1 1 40 40 GLY N N 15 0.079 0.000 . . . . 40 GLY N 18260 1 31 . 1 1 41 41 ASP N N 15 0.083 0.000 . . . . 41 ASP N 18260 1 32 . 1 1 42 42 THR N N 15 0.079 0.000 . . . . 42 THR N 18260 1 33 . 1 1 43 43 LEU N N 15 0.054 0.000 . . . . 43 LEU N 18260 1 34 . 1 1 44 44 ALA N N 15 0.063 0.000 . . . . 44 ALA N 18260 1 35 . 1 1 45 45 ALA N N 15 0.067 0.000 . . . . 45 ALA N 18260 1 36 . 1 1 46 46 ILE N N 15 0.068 0.000 . . . . 46 ILE N 18260 1 37 . 1 1 48 48 GLY N N 15 0.057 0.000 . . . . 48 GLY N 18260 1 38 . 1 1 50 50 LEU N N 15 0.055 0.000 . . . . 50 LEU N 18260 1 39 . 1 1 51 51 LYS N N 15 0.063 0.000 . . . . 51 LYS N 18260 1 40 . 1 1 52 52 LYS N N 15 0.058 0.000 . . . . 52 LYS N 18260 1 41 . 1 1 53 53 HIS N N 15 0.052 0.000 . . . . 53 HIS N 18260 1 42 . 1 1 54 54 GLU N N 15 0.058 0.000 . . . . 54 GLU N 18260 1 43 . 1 1 55 55 ALA N N 15 0.062 0.000 . . . . 55 ALA N 18260 1 44 . 1 1 56 56 PHE N N 15 0.055 0.000 . . . . 56 PHE N 18260 1 45 . 1 1 57 57 GLU N N 15 0.051 0.000 . . . . 57 GLU N 18260 1 46 . 1 1 58 58 THR N N 15 0.061 0.000 . . . . 58 THR N 18260 1 47 . 1 1 59 59 ASP N N 15 0.060 0.000 . . . . 59 ASP N 18260 1 48 . 1 1 60 60 PHE N N 15 0.052 0.000 . . . . 60 PHE N 18260 1 49 . 1 1 61 61 THR N N 15 0.055 0.000 . . . . 61 THR N 18260 1 50 . 1 1 62 62 VAL N N 15 0.059 0.000 . . . . 62 VAL N 18260 1 51 . 1 1 63 63 HIS N N 15 0.050 0.000 . . . . 63 HIS N 18260 1 52 . 1 1 64 64 LYS N N 15 0.057 0.000 . . . . 64 LYS N 18260 1 53 . 1 1 65 65 ASP N N 15 0.061 0.000 . . . . 65 ASP N 18260 1 54 . 1 1 66 66 ARG N N 15 0.053 0.000 . . . . 66 ARG N 18260 1 55 . 1 1 67 67 VAL N N 15 0.052 0.000 . . . . 67 VAL N 18260 1 56 . 1 1 68 68 ASN N N 15 0.058 0.000 . . . . 68 ASN N 18260 1 57 . 1 1 69 69 ASP N N 15 0.061 0.000 . . . . 69 ASP N 18260 1 58 . 1 1 70 70 VAL N N 15 0.050 0.001 . . . . 70 VAL N 18260 1 59 . 1 1 71 71 CYS N N 15 0.049 0.000 . . . . 71 CYS N 18260 1 60 . 1 1 72 72 ALA N N 15 0.058 0.000 . . . . 72 ALA N 18260 1 61 . 1 1 74 74 GLY N N 15 0.050 0.001 . . . . 74 GLY N 18260 1 62 . 1 1 75 75 GLU N N 15 0.080 0.001 . . . . 75 GLU N 18260 1 63 . 1 1 76 76 ASP N N 15 0.047 0.000 . . . . 76 ASP N 18260 1 64 . 1 1 77 77 LEU N N 15 0.040 0.001 . . . . 77 LEU N 18260 1 65 . 1 1 78 78 ILE N N 15 0.055 0.000 . . . . 78 ILE N 18260 1 66 . 1 1 80 80 LYS N N 15 0.060 0.001 . . . . 80 LYS N 18260 1 67 . 1 1 81 81 ASN N N 15 0.068 0.001 . . . . 81 ASN N 18260 1 68 . 1 1 85 85 VAL N N 15 0.051 0.001 . . . . 85 VAL N 18260 1 69 . 1 1 86 86 GLU N N 15 0.049 0.000 . . . . 86 GLU N 18260 1 70 . 1 1 88 88 ILE N N 15 0.038 0.000 . . . . 88 ILE N 18260 1 71 . 1 1 89 89 THR N N 15 0.052 0.000 . . . . 89 THR N 18260 1 72 . 1 1 90 90 ALA N N 15 0.052 0.001 . . . . 90 ALA N 18260 1 73 . 1 1 93 93 LYS N N 15 0.053 0.001 . . . . 93 LYS N 18260 1 74 . 1 1 94 94 GLY N N 15 0.049 0.000 . . . . 94 GLY N 18260 1 75 . 1 1 95 95 LEU N N 15 0.054 0.000 . . . . 95 LEU N 18260 1 76 . 1 1 96 96 LYS N N 15 0.055 0.000 . . . . 96 LYS N 18260 1 77 . 1 1 97 97 GLY N N 15 0.053 0.000 . . . . 97 GLY N 18260 1 78 . 1 1 98 98 LYS N N 15 0.055 0.000 . . . . 98 LYS N 18260 1 79 . 1 1 99 99 VAL N N 15 0.056 0.001 . . . . 99 VAL N 18260 1 80 . 1 1 100 100 SER N N 15 0.055 0.000 . . . . 100 SER N 18260 1 81 . 1 1 101 101 ASP N N 15 0.054 0.000 . . . . 101 ASP N 18260 1 82 . 1 1 103 103 GLU N N 15 0.053 0.000 . . . . 103 GLU N 18260 1 83 . 1 1 104 104 LYS N N 15 0.057 0.000 . . . . 104 LYS N 18260 1 84 . 1 1 105 105 ALA N N 15 0.055 0.000 . . . . 105 ALA N 18260 1 85 . 1 1 106 106 ALA N N 15 0.054 0.000 . . . . 106 ALA N 18260 1 86 . 1 1 107 107 ALA N N 15 0.056 0.000 . . . . 107 ALA N 18260 1 87 . 1 1 108 108 GLN N N 15 0.054 0.000 . . . . 108 GLN N 18260 1 88 . 1 1 109 109 ARG N N 15 0.052 0.000 . . . . 109 ARG N 18260 1 89 . 1 1 110 110 LYS N N 15 0.052 0.000 . . . . 110 LYS N 18260 1 90 . 1 1 111 111 ALA N N 15 0.054 0.000 . . . . 111 ALA N 18260 1 91 . 1 1 112 112 LYS N N 15 0.055 0.000 . . . . 112 LYS N 18260 1 92 . 1 1 113 113 LEU N N 15 0.067 0.001 . . . . 113 LEU N 18260 1 93 . 1 1 114 114 ASP N N 15 0.061 0.000 . . . . 114 ASP N 18260 1 94 . 1 1 115 115 GLU N N 15 0.073 0.000 . . . . 115 GLU N 18260 1 95 . 1 1 116 116 ASN N N 15 0.075 0.000 . . . . 116 ASN N 18260 1 96 . 1 1 117 117 SER N N 15 0.111 0.001 . . . . 117 SER N 18260 1 97 . 1 1 118 118 ALA N N 15 0.220 0.000 . . . . 118 ALA N 18260 1 stop_ save_