data_18870 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18870 _Entry.Title ; Solution structure of the dimerization domain of Aux/IAA transcription factor Ps-IAA4 from pea (Pisum sativum) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-03 _Entry.Accession_date 2012-12-03 _Entry.Last_release_date 2013-12-02 _Entry.Original_release_date 2013-12-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Recominant 6xHis tagged C-terminus of Ps-IAA4 (aa 86-189) protein' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Kovermann . . . 18870 2 Dinesh 'Dhurvas Chandrasekaran' . . . 18870 3 Mohanraj Gopalswamy . . . 18870 4 Steffen Abel . . . 18870 5 Jochen Balbach . . . 18870 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18870 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta-Grasp (ubiquitin-like)' . 18870 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18870 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 18870 '15N chemical shifts' 104 18870 '1H chemical shifts' 629 18870 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-12-02 2012-12-03 original author . 18870 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18870 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the dimerization domain of Aux/IAA transcription factor Ps-IAA4 from pea (Pisum sativum)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dinesh 'Dhurvas Chandrasekaran' . . . 18870 1 2 Michael Kovermann . . . 18870 1 3 Mohanraj Gopalswamy . . . 18870 1 4 Jochen Balbach . . . 18870 1 5 Steffen Abel . . . 18870 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18870 _Assembly.ID 1 _Assembly.Name 'dimerization domain of Aux/IAA transcription factor Ps-IAA4 from pea (Pisum sativum)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PsIAA4_DIII/IV 1 $PsIAA4_DIII-IV A . yes native no no . . . 18870 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PsIAA4_DIII-IV _Entity.Sf_category entity _Entity.Sf_framecode PsIAA4_DIII-IV _Entity.Entry_ID 18870 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PsIAA4_DIII/IV _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HEADVGGIFVKVSMDGAPYL RKIDLRVYGGYSELLKALET MFKLTIGEYSEREGYKGSEY APTYEDKDGDWMLVGDVPWD MFVTSCKRLRIMKGTEAKGL GCGVGSH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; HEADVGGIFVKVSMDGAPYLRKIDLRVYGGYSELLKALETMFKLTIGEYSEREGYKGSEYAPTYEDKDGDWMLVGDVPWD MFVTSCKRLRIMKGTEAKGLGCGVGSH ; _Entity.Polymer_author_seq_details '86-189 aa' _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'PsIAA4 DIII/IV' _Entity.Mutation N/A _Entity.EC_number N/A _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11938.721 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UniProtKB P49679 . IAA4_PEA . . . . . . . . . . . . . . 18870 1 2 no PDB 2M1M . "Solution Structure Of The Psiaa4 Oligomerization Domain Reveals Interaction Modes For Transcription Factors In Early Auxin Resp" . . . . . 100.00 107 100.00 100.00 2.28e-70 . . . . 18870 1 3 no EMBL CAA48297 . "auxin-induced protein [Pisum sativum]" . . . . . 97.20 189 100.00 100.00 7.53e-69 . . . . 18870 1 4 no EMBL CAA48298 . "auxin-induced protein [Pisum sativum]" . . . . . 97.20 187 98.08 98.08 5.83e-65 . . . . 18870 1 5 no SP P49679 . "RecName: Full=Auxin-induced protein IAA4" . . . . . 97.20 189 100.00 100.00 7.53e-69 . . . . 18870 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 . HIS . 18870 1 2 . GLU . 18870 1 3 . ALA . 18870 1 4 . ASP . 18870 1 5 . VAL . 18870 1 6 . GLY . 18870 1 7 . GLY . 18870 1 8 . ILE . 18870 1 9 . PHE . 18870 1 10 . VAL . 18870 1 11 . LYS . 18870 1 12 . VAL . 18870 1 13 . SER . 18870 1 14 . MET . 18870 1 15 . ASP . 18870 1 16 . GLY . 18870 1 17 . ALA . 18870 1 18 . PRO . 18870 1 19 . TYR . 18870 1 20 . LEU . 18870 1 21 . ARG . 18870 1 22 . LYS . 18870 1 23 . ILE . 18870 1 24 . ASP . 18870 1 25 . LEU . 18870 1 26 . ARG . 18870 1 27 . VAL . 18870 1 28 . TYR . 18870 1 29 . GLY . 18870 1 30 . GLY . 18870 1 31 . TYR . 18870 1 32 . SER . 18870 1 33 . GLU . 18870 1 34 . LEU . 18870 1 35 . LEU . 18870 1 36 . LYS . 18870 1 37 . ALA . 18870 1 38 . LEU . 18870 1 39 . GLU . 18870 1 40 . THR . 18870 1 41 . MET . 18870 1 42 . PHE . 18870 1 43 . LYS . 18870 1 44 . LEU . 18870 1 45 . THR . 18870 1 46 . ILE . 18870 1 47 . GLY . 18870 1 48 . GLU . 18870 1 49 . TYR . 18870 1 50 . SER . 18870 1 51 . GLU . 18870 1 52 . ARG . 18870 1 53 . GLU . 18870 1 54 . GLY . 18870 1 55 . TYR . 18870 1 56 . LYS . 18870 1 57 . GLY . 18870 1 58 . SER . 18870 1 59 . GLU . 18870 1 60 . TYR . 18870 1 61 . ALA . 18870 1 62 . PRO . 18870 1 63 . THR . 18870 1 64 . TYR . 18870 1 65 . GLU . 18870 1 66 . ASP . 18870 1 67 . LYS . 18870 1 68 . ASP . 18870 1 69 . GLY . 18870 1 70 . ASP . 18870 1 71 . TRP . 18870 1 72 . MET . 18870 1 73 . LEU . 18870 1 74 . VAL . 18870 1 75 . GLY . 18870 1 76 . ASP . 18870 1 77 . VAL . 18870 1 78 . PRO . 18870 1 79 . TRP . 18870 1 80 . ASP . 18870 1 81 . MET . 18870 1 82 . PHE . 18870 1 83 . VAL . 18870 1 84 . THR . 18870 1 85 . SER . 18870 1 86 . CYS . 18870 1 87 . LYS . 18870 1 88 . ARG . 18870 1 89 . LEU . 18870 1 90 . ARG . 18870 1 91 . ILE . 18870 1 92 . MET . 18870 1 93 . LYS . 18870 1 94 . GLY . 18870 1 95 . THR . 18870 1 96 . GLU . 18870 1 97 . ALA . 18870 1 98 . LYS . 18870 1 99 . GLY . 18870 1 100 . LEU . 18870 1 101 . GLY . 18870 1 102 . CYS . 18870 1 103 . GLY . 18870 1 104 . VAL . 18870 1 105 . GLY . 18870 1 106 . SER . 18870 1 107 . HIS . 18870 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 . HIS 1 1 18870 1 . GLU 2 2 18870 1 . ALA 3 3 18870 1 . ASP 4 4 18870 1 . VAL 5 5 18870 1 . GLY 6 6 18870 1 . GLY 7 7 18870 1 . ILE 8 8 18870 1 . PHE 9 9 18870 1 . VAL 10 10 18870 1 . LYS 11 11 18870 1 . VAL 12 12 18870 1 . SER 13 13 18870 1 . MET 14 14 18870 1 . ASP 15 15 18870 1 . GLY 16 16 18870 1 . ALA 17 17 18870 1 . PRO 18 18 18870 1 . TYR 19 19 18870 1 . LEU 20 20 18870 1 . ARG 21 21 18870 1 . LYS 22 22 18870 1 . ILE 23 23 18870 1 . ASP 24 24 18870 1 . LEU 25 25 18870 1 . ARG 26 26 18870 1 . VAL 27 27 18870 1 . TYR 28 28 18870 1 . GLY 29 29 18870 1 . GLY 30 30 18870 1 . TYR 31 31 18870 1 . SER 32 32 18870 1 . GLU 33 33 18870 1 . LEU 34 34 18870 1 . LEU 35 35 18870 1 . LYS 36 36 18870 1 . ALA 37 37 18870 1 . LEU 38 38 18870 1 . GLU 39 39 18870 1 . THR 40 40 18870 1 . MET 41 41 18870 1 . PHE 42 42 18870 1 . LYS 43 43 18870 1 . LEU 44 44 18870 1 . THR 45 45 18870 1 . ILE 46 46 18870 1 . GLY 47 47 18870 1 . GLU 48 48 18870 1 . TYR 49 49 18870 1 . SER 50 50 18870 1 . GLU 51 51 18870 1 . ARG 52 52 18870 1 . GLU 53 53 18870 1 . GLY 54 54 18870 1 . TYR 55 55 18870 1 . LYS 56 56 18870 1 . GLY 57 57 18870 1 . SER 58 58 18870 1 . GLU 59 59 18870 1 . TYR 60 60 18870 1 . ALA 61 61 18870 1 . PRO 62 62 18870 1 . THR 63 63 18870 1 . TYR 64 64 18870 1 . GLU 65 65 18870 1 . ASP 66 66 18870 1 . LYS 67 67 18870 1 . ASP 68 68 18870 1 . GLY 69 69 18870 1 . ASP 70 70 18870 1 . TRP 71 71 18870 1 . MET 72 72 18870 1 . LEU 73 73 18870 1 . VAL 74 74 18870 1 . GLY 75 75 18870 1 . ASP 76 76 18870 1 . VAL 77 77 18870 1 . PRO 78 78 18870 1 . TRP 79 79 18870 1 . ASP 80 80 18870 1 . MET 81 81 18870 1 . PHE 82 82 18870 1 . VAL 83 83 18870 1 . THR 84 84 18870 1 . SER 85 85 18870 1 . CYS 86 86 18870 1 . LYS 87 87 18870 1 . ARG 88 88 18870 1 . LEU 89 89 18870 1 . ARG 90 90 18870 1 . ILE 91 91 18870 1 . MET 92 92 18870 1 . LYS 93 93 18870 1 . GLY 94 94 18870 1 . THR 95 95 18870 1 . GLU 96 96 18870 1 . ALA 97 97 18870 1 . LYS 98 98 18870 1 . GLY 99 99 18870 1 . LEU 100 100 18870 1 . GLY 101 101 18870 1 . CYS 102 102 18870 1 . GLY 103 103 18870 1 . VAL 104 104 18870 1 . GLY 105 105 18870 1 . SER 106 106 18870 1 . HIS 107 107 18870 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 18870 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PsIAA4_DIII-IV . 3888 plant . 'Pisum sativum' 'garden pea' . . Eukaryota Viridiplantae Pisum sativum . . . . . . . . . . . . . . . . IAA4/5 . . . . 18870 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 18870 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PsIAA4_DIII-IV . 'recombinant technology' 'Pisum sativum' . . . Pisum sativum M15 . . . . . . . . . . . . 'pQE expression system' . . pQE-16 . . . 'The QIAexpressionist (Qiagen) Kit' . . 18870 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18870 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C 15N PsIAA4 DIII/IV' _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 PsIAA4_DIII/IV '[U-98% 13C; U-98% 15N]' . . 1 $PsIAA4_DIII-IV . . 1 . . mM . . . . 18870 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18870 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18870 1 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 18870 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18870 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18870 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18870 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 18870 _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' 0.112 . M 18870 1 pH 2.5 . pH 18870 1 pressure 1 . atm 18870 1 temperature 298 . K 18870 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18870 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18870 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18870 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18870 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18870 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18870 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18870 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18870 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18870 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18870 _Software.ID 4 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18870 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18870 4 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 18870 _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 18870 _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 . . . 18870 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 18870 _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 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 11 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18870 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 18870 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18870 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 18870 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18870 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 18870 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.02 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _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 4 '3D HNCA' . . . 18870 1 5 '3D HNCACB' . . . 18870 1 11 '3D HNCO' . . . 18870 1 12 '3D HCCH-TOCSY' . . . 18870 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 HIS C C 13 173.793 0.01 . . . . . A 1 HIS C . 18870 1 2 . 1 1 2 2 GLU H H 1 8.472 0.01 . . . . . A 2 GLU H . 18870 1 3 . 1 1 2 2 GLU HA H 1 3.791 0.01 . . . . . A 2 GLU HA . 18870 1 4 . 1 1 2 2 GLU HB2 H 1 2.418 0.01 . . . . . A 2 GLU HB2 . 18870 1 5 . 1 1 2 2 GLU HB3 H 1 2.193 0.01 . . . . . A 2 GLU HB3 . 18870 1 6 . 1 1 2 2 GLU HG2 H 1 2.748 0.01 . . . . . A 2 GLU HG2 . 18870 1 7 . 1 1 2 2 GLU HG3 H 1 2.209 0.01 . . . . . A 2 GLU HG3 . 18870 1 8 . 1 1 2 2 GLU C C 13 175.368 0.01 . . . . . A 2 GLU C . 18870 1 9 . 1 1 2 2 GLU CA C 13 55.97 0.01 . . . . . A 2 GLU CA . 18870 1 10 . 1 1 2 2 GLU CB C 13 29.31 0.01 . . . . . A 2 GLU CB . 18870 1 11 . 1 1 2 2 GLU CG C 13 35.121 0.01 . . . . . A 2 GLU CG . 18870 1 12 . 1 1 2 2 GLU N N 15 123.507 0.01 . . . . . A 2 GLU N . 18870 1 13 . 1 1 3 3 ALA H H 1 8.371 0.01 . . . . . A 3 ALA H . 18870 1 14 . 1 1 3 3 ALA HA H 1 4.133 0.01 . . . . . A 3 ALA HA . 18870 1 15 . 1 1 3 3 ALA HB1 H 1 1.227 0.01 . . . . . A 3 ALA HB1 . 18870 1 16 . 1 1 3 3 ALA HB2 H 1 1.227 0.01 . . . . . A 3 ALA HB2 . 18870 1 17 . 1 1 3 3 ALA HB3 H 1 1.227 0.01 . . . . . A 3 ALA HB3 . 18870 1 18 . 1 1 3 3 ALA C C 13 177.266 0.01 . . . . . A 3 ALA C . 18870 1 19 . 1 1 3 3 ALA CA C 13 52.7 0.01 . . . . . A 3 ALA CA . 18870 1 20 . 1 1 3 3 ALA CB C 13 19.44 0.01 . . . . . A 3 ALA CB . 18870 1 21 . 1 1 3 3 ALA N N 15 125.5 0.01 . . . . . A 3 ALA N . 18870 1 22 . 1 1 4 4 ASP H H 1 8.371 0.01 . . . . . A 4 ASP H . 18870 1 23 . 1 1 4 4 ASP HA H 1 4.549 0.01 . . . . . A 4 ASP HA . 18870 1 24 . 1 1 4 4 ASP HB2 H 1 2.63 0.01 . . . . . A 4 ASP HB2 . 18870 1 25 . 1 1 4 4 ASP HB3 H 1 2.739 0.01 . . . . . A 4 ASP HB3 . 18870 1 26 . 1 1 4 4 ASP C C 13 175.427 0.01 . . . . . A 4 ASP C . 18870 1 27 . 1 1 4 4 ASP CA C 13 53.38 0.01 . . . . . A 4 ASP CA . 18870 1 28 . 1 1 4 4 ASP CB C 13 38.91 0.01 . . . . . A 4 ASP CB . 18870 1 29 . 1 1 4 4 ASP N N 15 118.51 0.01 . . . . . A 4 ASP N . 18870 1 30 . 1 1 5 5 VAL H H 1 7.977 0.01 . . . . . A 5 VAL H . 18870 1 31 . 1 1 5 5 VAL HA H 1 3.975 0.01 . . . . . A 5 VAL HA . 18870 1 32 . 1 1 5 5 VAL HB H 1 1.951 0.01 . . . . . A 5 VAL HB . 18870 1 33 . 1 1 5 5 VAL HG11 H 1 0.779 0.01 . . . . . A 5 VAL HG11 . 18870 1 34 . 1 1 5 5 VAL HG12 H 1 0.779 0.01 . . . . . A 5 VAL HG12 . 18870 1 35 . 1 1 5 5 VAL HG13 H 1 0.779 0.01 . . . . . A 5 VAL HG13 . 18870 1 36 . 1 1 5 5 VAL HG21 H 1 0.779 0.01 . . . . . A 5 VAL HG21 . 18870 1 37 . 1 1 5 5 VAL HG22 H 1 0.779 0.01 . . . . . A 5 VAL HG22 . 18870 1 38 . 1 1 5 5 VAL HG23 H 1 0.779 0.01 . . . . . A 5 VAL HG23 . 18870 1 39 . 1 1 5 5 VAL C C 13 176.608 0.01 . . . . . A 5 VAL C . 18870 1 40 . 1 1 5 5 VAL CA C 13 62.73 0.01 . . . . . A 5 VAL CA . 18870 1 41 . 1 1 5 5 VAL CB C 13 32.77 0.01 . . . . . A 5 VAL CB . 18870 1 42 . 1 1 5 5 VAL CG1 C 13 20.551 0.01 . . . . . A 5 VAL CG1 . 18870 1 43 . 1 1 5 5 VAL CG2 C 13 21.428 0.01 . . . . . A 5 VAL CG2 . 18870 1 44 . 1 1 5 5 VAL N N 15 120.377 0.01 . . . . . A 5 VAL N . 18870 1 45 . 1 1 6 6 GLY H H 1 8.37 0.01 . . . . . A 6 GLY H . 18870 1 46 . 1 1 6 6 GLY HA2 H 1 3.843 0.01 . . . . . A 6 GLY HA2 . 18870 1 47 . 1 1 6 6 GLY HA3 H 1 3.991 0.01 . . . . . A 6 GLY HA3 . 18870 1 48 . 1 1 6 6 GLY C C 13 172.689 0.01 . . . . . A 6 GLY C . 18870 1 49 . 1 1 6 6 GLY CA C 13 45.49 0.01 . . . . . A 6 GLY CA . 18870 1 50 . 1 1 6 6 GLY N N 15 112.118 0.01 . . . . . A 6 GLY N . 18870 1 51 . 1 1 7 7 GLY H H 1 8.61 0.01 . . . . . A 7 GLY H . 18870 1 52 . 1 1 7 7 GLY HA2 H 1 3.632 0.01 . . . . . A 7 GLY HA2 . 18870 1 53 . 1 1 7 7 GLY HA3 H 1 4.025 0.01 . . . . . A 7 GLY HA3 . 18870 1 54 . 1 1 7 7 GLY C C 13 173.159 0.01 . . . . . A 7 GLY C . 18870 1 55 . 1 1 7 7 GLY CA C 13 45.53 0.01 . . . . . A 7 GLY CA . 18870 1 56 . 1 1 7 7 GLY N N 15 113.38 0.01 . . . . . A 7 GLY N . 18870 1 57 . 1 1 8 8 ILE H H 1 7.417 0.01 . . . . . A 8 ILE H . 18870 1 58 . 1 1 8 8 ILE HA H 1 4.004 0.01 . . . . . A 8 ILE HA . 18870 1 59 . 1 1 8 8 ILE HB H 1 1.434 0.01 . . . . . A 8 ILE HB . 18870 1 60 . 1 1 8 8 ILE HG13 H 1 0.837 0.01 . . . . . A 8 ILE HG13 . 18870 1 61 . 1 1 8 8 ILE HG21 H 1 0.559 0.01 . . . . . A 8 ILE HG21 . 18870 1 62 . 1 1 8 8 ILE HG22 H 1 0.559 0.01 . . . . . A 8 ILE HG22 . 18870 1 63 . 1 1 8 8 ILE HG23 H 1 0.559 0.01 . . . . . A 8 ILE HG23 . 18870 1 64 . 1 1 8 8 ILE HD11 H 1 0.638 0.01 . . . . . A 8 ILE HD11 . 18870 1 65 . 1 1 8 8 ILE HD12 H 1 0.638 0.01 . . . . . A 8 ILE HD12 . 18870 1 66 . 1 1 8 8 ILE HD13 H 1 0.638 0.01 . . . . . A 8 ILE HD13 . 18870 1 67 . 1 1 8 8 ILE C C 13 174.587 0.01 . . . . . A 8 ILE C . 18870 1 68 . 1 1 8 8 ILE CA C 13 60.67 0.01 . . . . . A 8 ILE CA . 18870 1 69 . 1 1 8 8 ILE CB C 13 39.33 0.01 . . . . . A 8 ILE CB . 18870 1 70 . 1 1 8 8 ILE CG1 C 13 27.088 0.01 . . . . . A 8 ILE CG1 . 18870 1 71 . 1 1 8 8 ILE CG2 C 13 13.385 0.01 . . . . . A 8 ILE CG2 . 18870 1 72 . 1 1 8 8 ILE CD1 C 13 17.778 0.01 . . . . . A 8 ILE CD1 . 18870 1 73 . 1 1 8 8 ILE N N 15 121.756 0.01 . . . . . A 8 ILE N . 18870 1 74 . 1 1 9 9 PHE H H 1 8.308 0.01 . . . . . A 9 PHE H . 18870 1 75 . 1 1 9 9 PHE HA H 1 5.18 0.01 . . . . . A 9 PHE HA . 18870 1 76 . 1 1 9 9 PHE HB2 H 1 2.799 0.01 . . . . . A 9 PHE HB2 . 18870 1 77 . 1 1 9 9 PHE HB3 H 1 2.575 0.01 . . . . . A 9 PHE HB3 . 18870 1 78 . 1 1 9 9 PHE HD1 H 1 6.931 0.01 . . . . . A 9 PHE HD1 . 18870 1 79 . 1 1 9 9 PHE HD2 H 1 6.931 0.01 . . . . . A 9 PHE HD2 . 18870 1 80 . 1 1 9 9 PHE HE1 H 1 7.226 0.01 . . . . . A 9 PHE HE1 . 18870 1 81 . 1 1 9 9 PHE HE2 H 1 7.226 0.01 . . . . . A 9 PHE HE2 . 18870 1 82 . 1 1 9 9 PHE HZ H 1 7.225 0.01 . . . . . A 9 PHE HZ . 18870 1 83 . 1 1 9 9 PHE C C 13 176.711 0.01 . . . . . A 9 PHE C . 18870 1 84 . 1 1 9 9 PHE CA C 13 57.37 0.01 . . . . . A 9 PHE CA . 18870 1 85 . 1 1 9 9 PHE CB C 13 41.11 0.01 . . . . . A 9 PHE CB . 18870 1 86 . 1 1 9 9 PHE CD2 C 13 128.852 0.01 . . . . . A 9 PHE CD2 . 18870 1 87 . 1 1 9 9 PHE CE2 C 13 128.898 0.01 . . . . . A 9 PHE CE2 . 18870 1 88 . 1 1 9 9 PHE CZ C 13 127.512 0.01 . . . . . A 9 PHE CZ . 18870 1 89 . 1 1 9 9 PHE N N 15 122.628 0.01 . . . . . A 9 PHE N . 18870 1 90 . 1 1 10 10 VAL H H 1 9.019 0.01 . . . . . A 10 VAL H . 18870 1 91 . 1 1 10 10 VAL HA H 1 4.503 0.01 . . . . . A 10 VAL HA . 18870 1 92 . 1 1 10 10 VAL HB H 1 1.847 0.01 . . . . . A 10 VAL HB . 18870 1 93 . 1 1 10 10 VAL HG11 H 1 0.667 0.01 . . . . . A 10 VAL HG11 . 18870 1 94 . 1 1 10 10 VAL HG12 H 1 0.667 0.01 . . . . . A 10 VAL HG12 . 18870 1 95 . 1 1 10 10 VAL HG13 H 1 0.667 0.01 . . . . . A 10 VAL HG13 . 18870 1 96 . 1 1 10 10 VAL HG21 H 1 0.665 0.01 . . . . . A 10 VAL HG21 . 18870 1 97 . 1 1 10 10 VAL HG22 H 1 0.665 0.01 . . . . . A 10 VAL HG22 . 18870 1 98 . 1 1 10 10 VAL HG23 H 1 0.665 0.01 . . . . . A 10 VAL HG23 . 18870 1 99 . 1 1 10 10 VAL C C 13 174.574 0.01 . . . . . A 10 VAL C . 18870 1 100 . 1 1 10 10 VAL CA C 13 59.99 0.01 . . . . . A 10 VAL CA . 18870 1 101 . 1 1 10 10 VAL CB C 13 35.85 0.01 . . . . . A 10 VAL CB . 18870 1 102 . 1 1 10 10 VAL CG1 C 13 20.147 0.01 . . . . . A 10 VAL CG1 . 18870 1 103 . 1 1 10 10 VAL CG2 C 13 20.133 0.01 . . . . . A 10 VAL CG2 . 18870 1 104 . 1 1 10 10 VAL N N 15 117.99 0.01 . . . . . A 10 VAL N . 18870 1 105 . 1 1 11 11 LYS H H 1 8.729 0.01 . . . . . A 11 LYS H . 18870 1 106 . 1 1 11 11 LYS HA H 1 4.921 0.01 . . . . . A 11 LYS HA . 18870 1 107 . 1 1 11 11 LYS HB2 H 1 1.755 0.01 . . . . . A 11 LYS HB2 . 18870 1 108 . 1 1 11 11 LYS HB3 H 1 1.69 0.01 . . . . . A 11 LYS HB3 . 18870 1 109 . 1 1 11 11 LYS HG2 H 1 1.507 0.01 . . . . . A 11 LYS HG2 . 18870 1 110 . 1 1 11 11 LYS HG3 H 1 1.255 0.01 . . . . . A 11 LYS HG3 . 18870 1 111 . 1 1 11 11 LYS HD2 H 1 1.757 0.01 . . . . . A 11 LYS HD2 . 18870 1 112 . 1 1 11 11 LYS HD3 H 1 1.696 0.01 . . . . . A 11 LYS HD3 . 18870 1 113 . 1 1 11 11 LYS HE2 H 1 2.825 0.01 . . . . . A 11 LYS HE2 . 18870 1 114 . 1 1 11 11 LYS HE3 H 1 2.825 0.01 . . . . . A 11 LYS HE3 . 18870 1 115 . 1 1 11 11 LYS C C 13 175.62 0.01 . . . . . A 11 LYS C . 18870 1 116 . 1 1 11 11 LYS CA C 13 56.43 0.01 . . . . . A 11 LYS CA . 18870 1 117 . 1 1 11 11 LYS CB C 13 34.59 0.01 . . . . . A 11 LYS CB . 18870 1 118 . 1 1 11 11 LYS CG C 13 26.551 0.01 . . . . . A 11 LYS CG . 18870 1 119 . 1 1 11 11 LYS CD C 13 34.74 0.01 . . . . . A 11 LYS CD . 18870 1 120 . 1 1 11 11 LYS CE C 13 42.543 0.01 . . . . . A 11 LYS CE . 18870 1 121 . 1 1 11 11 LYS N N 15 122.336 0.01 . . . . . A 11 LYS N . 18870 1 122 . 1 1 12 12 VAL H H 1 8.864 0.01 . . . . . A 12 VAL H . 18870 1 123 . 1 1 12 12 VAL HA H 1 5.141 0.01 . . . . . A 12 VAL HA . 18870 1 124 . 1 1 12 12 VAL HB H 1 1.894 0.01 . . . . . A 12 VAL HB . 18870 1 125 . 1 1 12 12 VAL HG11 H 1 0.882 0.01 . . . . . A 12 VAL HG11 . 18870 1 126 . 1 1 12 12 VAL HG12 H 1 0.882 0.01 . . . . . A 12 VAL HG12 . 18870 1 127 . 1 1 12 12 VAL HG13 H 1 0.882 0.01 . . . . . A 12 VAL HG13 . 18870 1 128 . 1 1 12 12 VAL HG21 H 1 0.843 0.01 . . . . . A 12 VAL HG21 . 18870 1 129 . 1 1 12 12 VAL HG22 H 1 0.843 0.01 . . . . . A 12 VAL HG22 . 18870 1 130 . 1 1 12 12 VAL HG23 H 1 0.843 0.01 . . . . . A 12 VAL HG23 . 18870 1 131 . 1 1 12 12 VAL C C 13 173.266 0.01 . . . . . A 12 VAL C . 18870 1 132 . 1 1 12 12 VAL CA C 13 60.01 0.01 . . . . . A 12 VAL CA . 18870 1 133 . 1 1 12 12 VAL CB C 13 34.87 0.01 . . . . . A 12 VAL CB . 18870 1 134 . 1 1 12 12 VAL CG1 C 13 21.208 0.01 . . . . . A 12 VAL CG1 . 18870 1 135 . 1 1 12 12 VAL CG2 C 13 22.448 0.01 . . . . . A 12 VAL CG2 . 18870 1 136 . 1 1 12 12 VAL N N 15 119.483 0.01 . . . . . A 12 VAL N . 18870 1 137 . 1 1 13 13 SER H H 1 7.787 0.01 . . . . . A 13 SER H . 18870 1 138 . 1 1 13 13 SER HA H 1 4.851 0.01 . . . . . A 13 SER HA . 18870 1 139 . 1 1 13 13 SER HB2 H 1 3.906 0.01 . . . . . A 13 SER HB2 . 18870 1 140 . 1 1 13 13 SER HB3 H 1 3.598 0.01 . . . . . A 13 SER HB3 . 18870 1 141 . 1 1 13 13 SER CA C 13 56.36 0.01 . . . . . A 13 SER CA . 18870 1 142 . 1 1 13 13 SER CB C 13 67.28 0.01 . . . . . A 13 SER CB . 18870 1 143 . 1 1 13 13 SER N N 15 119.247 0.01 . . . . . A 13 SER N . 18870 1 144 . 1 1 14 14 MET H H 1 7.996 0.01 . . . . . A 14 MET H . 18870 1 145 . 1 1 14 14 MET HE1 H 1 1.534 0.01 . . . . . A 14 MET HE1 . 18870 1 146 . 1 1 14 14 MET HE2 H 1 1.534 0.01 . . . . . A 14 MET HE2 . 18870 1 147 . 1 1 14 14 MET HE3 H 1 1.534 0.01 . . . . . A 14 MET HE3 . 18870 1 148 . 1 1 14 14 MET CE C 13 18.202 0.01 . . . . . A 14 MET CE . 18870 1 149 . 1 1 15 15 ASP H H 1 8.279 0.01 . . . . . A 15 ASP H . 18870 1 150 . 1 1 15 15 ASP HA H 1 4.183 0.01 . . . . . A 15 ASP HA . 18870 1 151 . 1 1 15 15 ASP HB2 H 1 2.701 0.01 . . . . . A 15 ASP HB2 . 18870 1 152 . 1 1 15 15 ASP HB3 H 1 2.59 0.01 . . . . . A 15 ASP HB3 . 18870 1 153 . 1 1 15 15 ASP C C 13 176.123 0.01 . . . . . A 15 ASP C . 18870 1 154 . 1 1 15 15 ASP CA C 13 55.91 0.01 . . . . . A 15 ASP CA . 18870 1 155 . 1 1 15 15 ASP CB C 13 39.95 0.01 . . . . . A 15 ASP CB . 18870 1 156 . 1 1 15 15 ASP N N 15 126.692 0.01 . . . . . A 15 ASP N . 18870 1 157 . 1 1 16 16 GLY H H 1 8.611 0.01 . . . . . A 16 GLY H . 18870 1 158 . 1 1 16 16 GLY HA2 H 1 3.548 0.01 . . . . . A 16 GLY HA2 . 18870 1 159 . 1 1 16 16 GLY HA3 H 1 4.092 0.01 . . . . . A 16 GLY HA3 . 18870 1 160 . 1 1 16 16 GLY C C 13 173.173 0.01 . . . . . A 16 GLY C . 18870 1 161 . 1 1 16 16 GLY CA C 13 45.43 0.01 . . . . . A 16 GLY CA . 18870 1 162 . 1 1 16 16 GLY N N 15 111.972 0.01 . . . . . A 16 GLY N . 18870 1 163 . 1 1 17 17 ALA H H 1 7.997 0.01 . . . . . A 17 ALA H . 18870 1 164 . 1 1 17 17 ALA HA H 1 4.813 0.01 . . . . . A 17 ALA HA . 18870 1 165 . 1 1 17 17 ALA HB1 H 1 1.3 0.01 . . . . . A 17 ALA HB1 . 18870 1 166 . 1 1 17 17 ALA HB2 H 1 1.3 0.01 . . . . . A 17 ALA HB2 . 18870 1 167 . 1 1 17 17 ALA HB3 H 1 1.3 0.01 . . . . . A 17 ALA HB3 . 18870 1 168 . 1 1 17 17 ALA CA C 13 49.58 0.01 . . . . . A 17 ALA CA . 18870 1 169 . 1 1 17 17 ALA CB C 13 20.38 0.01 . . . . . A 17 ALA CB . 18870 1 170 . 1 1 17 17 ALA N N 15 123.763 0.01 . . . . . A 17 ALA N . 18870 1 171 . 1 1 18 18 PRO HA H 1 4.405 0.01 . . . . . A 18 PRO HA . 18870 1 172 . 1 1 18 18 PRO HB2 H 1 1.972 0.01 . . . . . A 18 PRO HB2 . 18870 1 173 . 1 1 18 18 PRO HB3 H 1 1.789 0.01 . . . . . A 18 PRO HB3 . 18870 1 174 . 1 1 18 18 PRO HG2 H 1 1.881 0.01 . . . . . A 18 PRO HG2 . 18870 1 175 . 1 1 18 18 PRO HG3 H 1 1.508 0.01 . . . . . A 18 PRO HG3 . 18870 1 176 . 1 1 18 18 PRO HD2 H 1 3.582 0.01 . . . . . A 18 PRO HD2 . 18870 1 177 . 1 1 18 18 PRO HD3 H 1 3.393 0.01 . . . . . A 18 PRO HD3 . 18870 1 178 . 1 1 18 18 PRO CA C 13 63.978 0.01 . . . . . A 18 PRO CA . 18870 1 179 . 1 1 18 18 PRO CB C 13 31.879 0.01 . . . . . A 18 PRO CB . 18870 1 180 . 1 1 18 18 PRO CG C 13 27.073 0.01 . . . . . A 18 PRO CG . 18870 1 181 . 1 1 18 18 PRO CD C 13 50.859 0.01 . . . . . A 18 PRO CD . 18870 1 182 . 1 1 19 19 TYR H H 1 8.856 0.01 . . . . . A 19 TYR H . 18870 1 183 . 1 1 19 19 TYR C C 13 174.416 0.01 . . . . . A 19 TYR C . 18870 1 184 . 1 1 19 19 TYR N N 15 121.487 0.01 . . . . . A 19 TYR N . 18870 1 185 . 1 1 20 20 LEU H H 1 8.406 0.01 . . . . . A 20 LEU H . 18870 1 186 . 1 1 20 20 LEU HA H 1 4.803 0.01 . . . . . A 20 LEU HA . 18870 1 187 . 1 1 20 20 LEU HB2 H 1 1.549 0.01 . . . . . A 20 LEU HB2 . 18870 1 188 . 1 1 20 20 LEU HB3 H 1 1.548 0.01 . . . . . A 20 LEU HB3 . 18870 1 189 . 1 1 20 20 LEU HG H 1 1.542 0.01 . . . . . A 20 LEU HG . 18870 1 190 . 1 1 20 20 LEU HD11 H 1 0.778 0.01 . . . . . A 20 LEU HD11 . 18870 1 191 . 1 1 20 20 LEU HD12 H 1 0.778 0.01 . . . . . A 20 LEU HD12 . 18870 1 192 . 1 1 20 20 LEU HD13 H 1 0.778 0.01 . . . . . A 20 LEU HD13 . 18870 1 193 . 1 1 20 20 LEU HD21 H 1 0.829 0.01 . . . . . A 20 LEU HD21 . 18870 1 194 . 1 1 20 20 LEU HD22 H 1 0.829 0.01 . . . . . A 20 LEU HD22 . 18870 1 195 . 1 1 20 20 LEU HD23 H 1 0.829 0.01 . . . . . A 20 LEU HD23 . 18870 1 196 . 1 1 20 20 LEU CA C 13 55.127 0.01 . . . . . A 20 LEU CA . 18870 1 197 . 1 1 20 20 LEU CB C 13 44.726 0.01 . . . . . A 20 LEU CB . 18870 1 198 . 1 1 20 20 LEU CG C 13 27.769 0.01 . . . . . A 20 LEU CG . 18870 1 199 . 1 1 20 20 LEU CD1 C 13 25.437 0.01 . . . . . A 20 LEU CD1 . 18870 1 200 . 1 1 20 20 LEU CD2 C 13 25.313 0.01 . . . . . A 20 LEU CD2 . 18870 1 201 . 1 1 20 20 LEU N N 15 120.662 0.01 . . . . . A 20 LEU N . 18870 1 202 . 1 1 21 21 ARG C C 13 174.484 0.01 . . . . . A 21 ARG C . 18870 1 203 . 1 1 22 22 LYS H H 1 8.424 0.01 . . . . . A 22 LYS H . 18870 1 204 . 1 1 22 22 LYS HA H 1 5.187 0.01 . . . . . A 22 LYS HA . 18870 1 205 . 1 1 22 22 LYS HB2 H 1 1.522 0.01 . . . . . A 22 LYS HB2 . 18870 1 206 . 1 1 22 22 LYS HB3 H 1 1.521 0.01 . . . . . A 22 LYS HB3 . 18870 1 207 . 1 1 22 22 LYS HG2 H 1 1.287 0.01 . . . . . A 22 LYS HG2 . 18870 1 208 . 1 1 22 22 LYS HG3 H 1 1.225 0.01 . . . . . A 22 LYS HG3 . 18870 1 209 . 1 1 22 22 LYS HD2 H 1 1.145 0.01 . . . . . A 22 LYS HD2 . 18870 1 210 . 1 1 22 22 LYS HD3 H 1 1.144 0.01 . . . . . A 22 LYS HD3 . 18870 1 211 . 1 1 22 22 LYS HE2 H 1 2.463 0.01 . . . . . A 22 LYS HE2 . 18870 1 212 . 1 1 22 22 LYS HE3 H 1 2.463 0.01 . . . . . A 22 LYS HE3 . 18870 1 213 . 1 1 22 22 LYS C C 13 175.369 0.01 . . . . . A 22 LYS C . 18870 1 214 . 1 1 22 22 LYS CA C 13 55.84 0.01 . . . . . A 22 LYS CA . 18870 1 215 . 1 1 22 22 LYS CB C 13 35.56 0.01 . . . . . A 22 LYS CB . 18870 1 216 . 1 1 22 22 LYS CG C 13 29.826 0.01 . . . . . A 22 LYS CG . 18870 1 217 . 1 1 22 22 LYS CD C 13 25.157 0.01 . . . . . A 22 LYS CD . 18870 1 218 . 1 1 22 22 LYS CE C 13 41.974 0.01 . . . . . A 22 LYS CE . 18870 1 219 . 1 1 22 22 LYS N N 15 120.246 0.01 . . . . . A 22 LYS N . 18870 1 220 . 1 1 23 23 ILE H H 1 9.045 0.01 . . . . . A 23 ILE H . 18870 1 221 . 1 1 23 23 ILE HA H 1 4.686 0.01 . . . . . A 23 ILE HA . 18870 1 222 . 1 1 23 23 ILE HB H 1 1.761 0.01 . . . . . A 23 ILE HB . 18870 1 223 . 1 1 23 23 ILE HG13 H 1 0.979 0.01 . . . . . A 23 ILE HG13 . 18870 1 224 . 1 1 23 23 ILE HG21 H 1 0.731 0.01 . . . . . A 23 ILE HG21 . 18870 1 225 . 1 1 23 23 ILE HG22 H 1 0.731 0.01 . . . . . A 23 ILE HG22 . 18870 1 226 . 1 1 23 23 ILE HG23 H 1 0.731 0.01 . . . . . A 23 ILE HG23 . 18870 1 227 . 1 1 23 23 ILE HD11 H 1 0.634 0.01 . . . . . A 23 ILE HD11 . 18870 1 228 . 1 1 23 23 ILE HD12 H 1 0.634 0.01 . . . . . A 23 ILE HD12 . 18870 1 229 . 1 1 23 23 ILE HD13 H 1 0.634 0.01 . . . . . A 23 ILE HD13 . 18870 1 230 . 1 1 23 23 ILE C C 13 172.55 0.01 . . . . . A 23 ILE C . 18870 1 231 . 1 1 23 23 ILE CA C 13 59.9 0.01 . . . . . A 23 ILE CA . 18870 1 232 . 1 1 23 23 ILE CB C 13 42.78 0.01 . . . . . A 23 ILE CB . 18870 1 233 . 1 1 23 23 ILE CG1 C 13 27.493 0.01 . . . . . A 23 ILE CG1 . 18870 1 234 . 1 1 23 23 ILE CG2 C 13 17.772 0.01 . . . . . A 23 ILE CG2 . 18870 1 235 . 1 1 23 23 ILE CD1 C 13 14.704 0.01 . . . . . A 23 ILE CD1 . 18870 1 236 . 1 1 23 23 ILE N N 15 119.237 0.01 . . . . . A 23 ILE N . 18870 1 237 . 1 1 24 24 ASP H H 1 8.562 0.01 . . . . . A 24 ASP H . 18870 1 238 . 1 1 24 24 ASP HA H 1 4.735 0.01 . . . . . A 24 ASP HA . 18870 1 239 . 1 1 24 24 ASP HB2 H 1 1.906 0.01 . . . . . A 24 ASP HB2 . 18870 1 240 . 1 1 24 24 ASP HB3 H 1 2.697 0.01 . . . . . A 24 ASP HB3 . 18870 1 241 . 1 1 24 24 ASP C C 13 176.503 0.01 . . . . . A 24 ASP C . 18870 1 242 . 1 1 24 24 ASP CA C 13 50.8 0.01 . . . . . A 24 ASP CA . 18870 1 243 . 1 1 24 24 ASP CB C 13 39.37 0.01 . . . . . A 24 ASP CB . 18870 1 244 . 1 1 24 24 ASP N N 15 122.747 0.01 . . . . . A 24 ASP N . 18870 1 245 . 1 1 25 25 LEU H H 1 8.884 0.01 . . . . . A 25 LEU H . 18870 1 246 . 1 1 25 25 LEU HA H 1 4.128 0.01 . . . . . A 25 LEU HA . 18870 1 247 . 1 1 25 25 LEU HB2 H 1 1.559 0.01 . . . . . A 25 LEU HB2 . 18870 1 248 . 1 1 25 25 LEU HB3 H 1 1.403 0.01 . . . . . A 25 LEU HB3 . 18870 1 249 . 1 1 25 25 LEU HG H 1 1.685 0.01 . . . . . A 25 LEU HG . 18870 1 250 . 1 1 25 25 LEU HD11 H 1 0.791 0.01 . . . . . A 25 LEU HD11 . 18870 1 251 . 1 1 25 25 LEU HD12 H 1 0.791 0.01 . . . . . A 25 LEU HD12 . 18870 1 252 . 1 1 25 25 LEU HD13 H 1 0.791 0.01 . . . . . A 25 LEU HD13 . 18870 1 253 . 1 1 25 25 LEU HD21 H 1 0.436 0.01 . . . . . A 25 LEU HD21 . 18870 1 254 . 1 1 25 25 LEU HD22 H 1 0.436 0.01 . . . . . A 25 LEU HD22 . 18870 1 255 . 1 1 25 25 LEU HD23 H 1 0.436 0.01 . . . . . A 25 LEU HD23 . 18870 1 256 . 1 1 25 25 LEU C C 13 178.175 0.01 . . . . . A 25 LEU C . 18870 1 257 . 1 1 25 25 LEU CA C 13 58 0.01 . . . . . A 25 LEU CA . 18870 1 258 . 1 1 25 25 LEU CB C 13 43.01 0.01 . . . . . A 25 LEU CB . 18870 1 259 . 1 1 25 25 LEU CG C 13 27.199 0.01 . . . . . A 25 LEU CG . 18870 1 260 . 1 1 25 25 LEU CD1 C 13 23.935 0.01 . . . . . A 25 LEU CD1 . 18870 1 261 . 1 1 25 25 LEU CD2 C 13 26.538 0.01 . . . . . A 25 LEU CD2 . 18870 1 262 . 1 1 25 25 LEU N N 15 121.881 0.01 . . . . . A 25 LEU N . 18870 1 263 . 1 1 26 26 ARG H H 1 7.657 0.01 . . . . . A 26 ARG H . 18870 1 264 . 1 1 26 26 ARG HA H 1 4.007 0.01 . . . . . A 26 ARG HA . 18870 1 265 . 1 1 26 26 ARG HB2 H 1 1.743 0.01 . . . . . A 26 ARG HB2 . 18870 1 266 . 1 1 26 26 ARG HB3 H 1 1.643 0.01 . . . . . A 26 ARG HB3 . 18870 1 267 . 1 1 26 26 ARG HG2 H 1 1.571 0.01 . . . . . A 26 ARG HG2 . 18870 1 268 . 1 1 26 26 ARG HG3 H 1 1.48 0.01 . . . . . A 26 ARG HG3 . 18870 1 269 . 1 1 26 26 ARG HD2 H 1 3.016 0.01 . . . . . A 26 ARG HD2 . 18870 1 270 . 1 1 26 26 ARG HD3 H 1 3.015 0.01 . . . . . A 26 ARG HD3 . 18870 1 271 . 1 1 26 26 ARG HE H 1 7.157 0.01 . . . . . A 26 ARG HE . 18870 1 272 . 1 1 26 26 ARG C C 13 177.696 0.01 . . . . . A 26 ARG C . 18870 1 273 . 1 1 26 26 ARG CA C 13 58.19 0.01 . . . . . A 26 ARG CA . 18870 1 274 . 1 1 26 26 ARG CB C 13 30.26 0.01 . . . . . A 26 ARG CB . 18870 1 275 . 1 1 26 26 ARG CG C 13 27.902 0.01 . . . . . A 26 ARG CG . 18870 1 276 . 1 1 26 26 ARG CD C 13 43.491 0.01 . . . . . A 26 ARG CD . 18870 1 277 . 1 1 26 26 ARG N N 15 112.147 0.01 . . . . . A 26 ARG N . 18870 1 278 . 1 1 26 26 ARG NE N 15 84.22 0.01 . . . . . A 26 ARG NE . 18870 1 279 . 1 1 27 27 VAL H H 1 6.833 0.01 . . . . . A 27 VAL H . 18870 1 280 . 1 1 27 27 VAL HA H 1 3.69 0.01 . . . . . A 27 VAL HA . 18870 1 281 . 1 1 27 27 VAL HB H 1 1.659 0.01 . . . . . A 27 VAL HB . 18870 1 282 . 1 1 27 27 VAL HG11 H 1 0.379 0.01 . . . . . A 27 VAL HG11 . 18870 1 283 . 1 1 27 27 VAL HG12 H 1 0.379 0.01 . . . . . A 27 VAL HG12 . 18870 1 284 . 1 1 27 27 VAL HG13 H 1 0.379 0.01 . . . . . A 27 VAL HG13 . 18870 1 285 . 1 1 27 27 VAL HG21 H 1 0.416 0.01 . . . . . A 27 VAL HG21 . 18870 1 286 . 1 1 27 27 VAL HG22 H 1 0.416 0.01 . . . . . A 27 VAL HG22 . 18870 1 287 . 1 1 27 27 VAL HG23 H 1 0.416 0.01 . . . . . A 27 VAL HG23 . 18870 1 288 . 1 1 27 27 VAL C C 13 175.813 0.01 . . . . . A 27 VAL C . 18870 1 289 . 1 1 27 27 VAL CA C 13 63.07 0.01 . . . . . A 27 VAL CA . 18870 1 290 . 1 1 27 27 VAL CB C 13 31.58 0.01 . . . . . A 27 VAL CB . 18870 1 291 . 1 1 27 27 VAL CG1 C 13 19.934 0.01 . . . . . A 27 VAL CG1 . 18870 1 292 . 1 1 27 27 VAL CG2 C 13 20.98 0.01 . . . . . A 27 VAL CG2 . 18870 1 293 . 1 1 27 27 VAL N N 15 112.243 0.01 . . . . . A 27 VAL N . 18870 1 294 . 1 1 28 28 TYR H H 1 6.912 0.01 . . . . . A 28 TYR H . 18870 1 295 . 1 1 28 28 TYR HA H 1 4.348 0.01 . . . . . A 28 TYR HA . 18870 1 296 . 1 1 28 28 TYR HB2 H 1 3.028 0.01 . . . . . A 28 TYR HB2 . 18870 1 297 . 1 1 28 28 TYR HB3 H 1 2.872 0.01 . . . . . A 28 TYR HB3 . 18870 1 298 . 1 1 28 28 TYR C C 13 175.676 0.01 . . . . . A 28 TYR C . 18870 1 299 . 1 1 28 28 TYR CA C 13 58.42 0.01 . . . . . A 28 TYR CA . 18870 1 300 . 1 1 28 28 TYR CB C 13 40.39 0.01 . . . . . A 28 TYR CB . 18870 1 301 . 1 1 28 28 TYR N N 15 118.366 0.01 . . . . . A 28 TYR N . 18870 1 302 . 1 1 29 29 GLY H H 1 7.762 0.01 . . . . . A 29 GLY H . 18870 1 303 . 1 1 29 29 GLY HA2 H 1 3.365 0.01 . . . . . A 29 GLY HA2 . 18870 1 304 . 1 1 29 29 GLY HA3 H 1 3.774 0.01 . . . . . A 29 GLY HA3 . 18870 1 305 . 1 1 29 29 GLY C C 13 172.385 0.01 . . . . . A 29 GLY C . 18870 1 306 . 1 1 29 29 GLY CA C 13 44.93 0.01 . . . . . A 29 GLY CA . 18870 1 307 . 1 1 29 29 GLY N N 15 104.242 0.01 . . . . . A 29 GLY N . 18870 1 308 . 1 1 30 30 GLY H H 1 5.678 0.01 . . . . . A 30 GLY H . 18870 1 309 . 1 1 30 30 GLY HA2 H 1 1.908 0.01 . . . . . A 30 GLY HA2 . 18870 1 310 . 1 1 30 30 GLY HA3 H 1 3.289 0.01 . . . . . A 30 GLY HA3 . 18870 1 311 . 1 1 30 30 GLY C C 13 172.226 0.01 . . . . . A 30 GLY C . 18870 1 312 . 1 1 30 30 GLY CA C 13 44.08 0.01 . . . . . A 30 GLY CA . 18870 1 313 . 1 1 30 30 GLY N N 15 104.622 0.01 . . . . . A 30 GLY N . 18870 1 314 . 1 1 31 31 TYR H H 1 7.74 0.01 . . . . . A 31 TYR H . 18870 1 315 . 1 1 31 31 TYR HA H 1 3.85 0.01 . . . . . A 31 TYR HA . 18870 1 316 . 1 1 31 31 TYR HB2 H 1 2.872 0.01 . . . . . A 31 TYR HB2 . 18870 1 317 . 1 1 31 31 TYR HB3 H 1 2.623 0.01 . . . . . A 31 TYR HB3 . 18870 1 318 . 1 1 31 31 TYR C C 13 177.997 0.01 . . . . . A 31 TYR C . 18870 1 319 . 1 1 31 31 TYR CA C 13 62.76 0.01 . . . . . A 31 TYR CA . 18870 1 320 . 1 1 31 31 TYR CB C 13 38.39 0.01 . . . . . A 31 TYR CB . 18870 1 321 . 1 1 31 31 TYR N N 15 116.872 0.01 . . . . . A 31 TYR N . 18870 1 322 . 1 1 32 32 SER H H 1 8.755 0.01 . . . . . A 32 SER H . 18870 1 323 . 1 1 32 32 SER HA H 1 4.21 0.01 . . . . . A 32 SER HA . 18870 1 324 . 1 1 32 32 SER HB2 H 1 3.617 0.01 . . . . . A 32 SER HB2 . 18870 1 325 . 1 1 32 32 SER HB3 H 1 3.649 0.01 . . . . . A 32 SER HB3 . 18870 1 326 . 1 1 32 32 SER C C 13 177.443 0.01 . . . . . A 32 SER C . 18870 1 327 . 1 1 32 32 SER CA C 13 58.73 0.01 . . . . . A 32 SER CA . 18870 1 328 . 1 1 32 32 SER CB C 13 64.07 0.01 . . . . . A 32 SER CB . 18870 1 329 . 1 1 32 32 SER N N 15 114.746 0.01 . . . . . A 32 SER N . 18870 1 330 . 1 1 33 33 GLU H H 1 7.683 0.01 . . . . . A 33 GLU H . 18870 1 331 . 1 1 33 33 GLU HA H 1 4.578 0.01 . . . . . A 33 GLU HA . 18870 1 332 . 1 1 33 33 GLU HB2 H 1 2.101 0.01 . . . . . A 33 GLU HB2 . 18870 1 333 . 1 1 33 33 GLU HB3 H 1 1.972 0.01 . . . . . A 33 GLU HB3 . 18870 1 334 . 1 1 33 33 GLU C C 13 178.792 0.01 . . . . . A 33 GLU C . 18870 1 335 . 1 1 33 33 GLU CA C 13 55.27 0.01 . . . . . A 33 GLU CA . 18870 1 336 . 1 1 33 33 GLU CB C 13 28.62 0.01 . . . . . A 33 GLU CB . 18870 1 337 . 1 1 33 33 GLU N N 15 119.877 0.01 . . . . . A 33 GLU N . 18870 1 338 . 1 1 34 34 LEU H H 1 7.458 0.01 . . . . . A 34 LEU H . 18870 1 339 . 1 1 34 34 LEU HA H 1 3.212 0.01 . . . . . A 34 LEU HA . 18870 1 340 . 1 1 34 34 LEU HB2 H 1 1.958 0.01 . . . . . A 34 LEU HB2 . 18870 1 341 . 1 1 34 34 LEU HB3 H 1 1.354 0.01 . . . . . A 34 LEU HB3 . 18870 1 342 . 1 1 34 34 LEU HG H 1 1.308 0.01 . . . . . A 34 LEU HG . 18870 1 343 . 1 1 34 34 LEU HD11 H 1 0.589 0.01 . . . . . A 34 LEU HD11 . 18870 1 344 . 1 1 34 34 LEU HD12 H 1 0.589 0.01 . . . . . A 34 LEU HD12 . 18870 1 345 . 1 1 34 34 LEU HD13 H 1 0.589 0.01 . . . . . A 34 LEU HD13 . 18870 1 346 . 1 1 34 34 LEU HD21 H 1 1.044 0.01 . . . . . A 34 LEU HD21 . 18870 1 347 . 1 1 34 34 LEU HD22 H 1 1.044 0.01 . . . . . A 34 LEU HD22 . 18870 1 348 . 1 1 34 34 LEU HD23 H 1 1.044 0.01 . . . . . A 34 LEU HD23 . 18870 1 349 . 1 1 34 34 LEU C C 13 177.565 0.01 . . . . . A 34 LEU C . 18870 1 350 . 1 1 34 34 LEU CA C 13 58.18 0.01 . . . . . A 34 LEU CA . 18870 1 351 . 1 1 34 34 LEU CB C 13 41.94 0.01 . . . . . A 34 LEU CB . 18870 1 352 . 1 1 34 34 LEU CG C 13 28.066 0.01 . . . . . A 34 LEU CG . 18870 1 353 . 1 1 34 34 LEU CD1 C 13 23.948 0.01 . . . . . A 34 LEU CD1 . 18870 1 354 . 1 1 34 34 LEU CD2 C 13 27.509 0.01 . . . . . A 34 LEU CD2 . 18870 1 355 . 1 1 34 34 LEU N N 15 121.365 0.01 . . . . . A 34 LEU N . 18870 1 356 . 1 1 35 35 LEU H H 1 8.828 0.01 . . . . . A 35 LEU H . 18870 1 357 . 1 1 35 35 LEU HA H 1 3.668 0.01 . . . . . A 35 LEU HA . 18870 1 358 . 1 1 35 35 LEU HB2 H 1 1.781 0.01 . . . . . A 35 LEU HB2 . 18870 1 359 . 1 1 35 35 LEU HB3 H 1 1.403 0.01 . . . . . A 35 LEU HB3 . 18870 1 360 . 1 1 35 35 LEU HG H 1 1.731 0.01 . . . . . A 35 LEU HG . 18870 1 361 . 1 1 35 35 LEU HD11 H 1 0.831 0.01 . . . . . A 35 LEU HD11 . 18870 1 362 . 1 1 35 35 LEU HD12 H 1 0.831 0.01 . . . . . A 35 LEU HD12 . 18870 1 363 . 1 1 35 35 LEU HD13 H 1 0.831 0.01 . . . . . A 35 LEU HD13 . 18870 1 364 . 1 1 35 35 LEU HD21 H 1 0.747 0.01 . . . . . A 35 LEU HD21 . 18870 1 365 . 1 1 35 35 LEU HD22 H 1 0.747 0.01 . . . . . A 35 LEU HD22 . 18870 1 366 . 1 1 35 35 LEU HD23 H 1 0.747 0.01 . . . . . A 35 LEU HD23 . 18870 1 367 . 1 1 35 35 LEU C C 13 179.057 0.01 . . . . . A 35 LEU C . 18870 1 368 . 1 1 35 35 LEU CA C 13 59.15 0.01 . . . . . A 35 LEU CA . 18870 1 369 . 1 1 35 35 LEU CB C 13 40.61 0.01 . . . . . A 35 LEU CB . 18870 1 370 . 1 1 35 35 LEU CG C 13 28.855 0.01 . . . . . A 35 LEU CG . 18870 1 371 . 1 1 35 35 LEU CD1 C 13 24.931 0.01 . . . . . A 35 LEU CD1 . 18870 1 372 . 1 1 35 35 LEU CD2 C 13 23.83 0.01 . . . . . A 35 LEU CD2 . 18870 1 373 . 1 1 35 35 LEU N N 15 118.748 0.01 . . . . . A 35 LEU N . 18870 1 374 . 1 1 36 36 LYS H H 1 7.468 0.01 . . . . . A 36 LYS H . 18870 1 375 . 1 1 36 36 LYS C C 13 179.267 0.01 . . . . . A 36 LYS C . 18870 1 376 . 1 1 36 36 LYS CA C 13 59.23 0.01 . . . . . A 36 LYS CA . 18870 1 377 . 1 1 36 36 LYS CB C 13 32.32 0.01 . . . . . A 36 LYS CB . 18870 1 378 . 1 1 36 36 LYS N N 15 117.997 0.01 . . . . . A 36 LYS N . 18870 1 379 . 1 1 37 37 ALA H H 1 7.506 0.01 . . . . . A 37 ALA H . 18870 1 380 . 1 1 37 37 ALA HA H 1 4.104 0.01 . . . . . A 37 ALA HA . 18870 1 381 . 1 1 37 37 ALA HB1 H 1 1.363 0.01 . . . . . A 37 ALA HB1 . 18870 1 382 . 1 1 37 37 ALA HB2 H 1 1.363 0.01 . . . . . A 37 ALA HB2 . 18870 1 383 . 1 1 37 37 ALA HB3 H 1 1.363 0.01 . . . . . A 37 ALA HB3 . 18870 1 384 . 1 1 37 37 ALA C C 13 180.991 0.01 . . . . . A 37 ALA C . 18870 1 385 . 1 1 37 37 ALA CA C 13 55.55 0.01 . . . . . A 37 ALA CA . 18870 1 386 . 1 1 37 37 ALA CB C 13 18.48 0.01 . . . . . A 37 ALA CB . 18870 1 387 . 1 1 37 37 ALA N N 15 122.5 0.01 . . . . . A 37 ALA N . 18870 1 388 . 1 1 38 38 LEU H H 1 8.295 0.01 . . . . . A 38 LEU H . 18870 1 389 . 1 1 38 38 LEU HA H 1 4.006 0.01 . . . . . A 38 LEU HA . 18870 1 390 . 1 1 38 38 LEU HB2 H 1 1.971 0.01 . . . . . A 38 LEU HB2 . 18870 1 391 . 1 1 38 38 LEU HB3 H 1 1.111 0.01 . . . . . A 38 LEU HB3 . 18870 1 392 . 1 1 38 38 LEU HG H 1 1.919 0.01 . . . . . A 38 LEU HG . 18870 1 393 . 1 1 38 38 LEU HD11 H 1 0.636 0.01 . . . . . A 38 LEU HD11 . 18870 1 394 . 1 1 38 38 LEU HD12 H 1 0.636 0.01 . . . . . A 38 LEU HD12 . 18870 1 395 . 1 1 38 38 LEU HD13 H 1 0.636 0.01 . . . . . A 38 LEU HD13 . 18870 1 396 . 1 1 38 38 LEU HD21 H 1 0.806 0.01 . . . . . A 38 LEU HD21 . 18870 1 397 . 1 1 38 38 LEU HD22 H 1 0.806 0.01 . . . . . A 38 LEU HD22 . 18870 1 398 . 1 1 38 38 LEU HD23 H 1 0.806 0.01 . . . . . A 38 LEU HD23 . 18870 1 399 . 1 1 38 38 LEU C C 13 178.779 0.01 . . . . . A 38 LEU C . 18870 1 400 . 1 1 38 38 LEU CA C 13 58.47 0.01 . . . . . A 38 LEU CA . 18870 1 401 . 1 1 38 38 LEU CB C 13 41.97 0.01 . . . . . A 38 LEU CB . 18870 1 402 . 1 1 38 38 LEU CG C 13 26.491 0.01 . . . . . A 38 LEU CG . 18870 1 403 . 1 1 38 38 LEU CD1 C 13 25.537 0.01 . . . . . A 38 LEU CD1 . 18870 1 404 . 1 1 38 38 LEU CD2 C 13 23.358 0.01 . . . . . A 38 LEU CD2 . 18870 1 405 . 1 1 38 38 LEU N N 15 118.509 0.01 . . . . . A 38 LEU N . 18870 1 406 . 1 1 39 39 GLU H H 1 8.461 0.01 . . . . . A 39 GLU H . 18870 1 407 . 1 1 39 39 GLU HA H 1 3.78 0.01 . . . . . A 39 GLU HA . 18870 1 408 . 1 1 39 39 GLU HB2 H 1 2.42 0.01 . . . . . A 39 GLU HB2 . 18870 1 409 . 1 1 39 39 GLU HB3 H 1 2.199 0.01 . . . . . A 39 GLU HB3 . 18870 1 410 . 1 1 39 39 GLU HG2 H 1 2.749 0.01 . . . . . A 39 GLU HG2 . 18870 1 411 . 1 1 39 39 GLU HG3 H 1 2.211 0.01 . . . . . A 39 GLU HG3 . 18870 1 412 . 1 1 39 39 GLU C C 13 173.834 0.01 . . . . . A 39 GLU C . 18870 1 413 . 1 1 39 39 GLU CA C 13 60.05 0.01 . . . . . A 39 GLU CA . 18870 1 414 . 1 1 39 39 GLU CB C 13 29.34 0.01 . . . . . A 39 GLU CB . 18870 1 415 . 1 1 39 39 GLU CG C 13 35.15 0.01 . . . . . A 39 GLU CG . 18870 1 416 . 1 1 39 39 GLU N N 15 117.636 0.01 . . . . . A 39 GLU N . 18870 1 417 . 1 1 40 40 THR H H 1 7.901 0.01 . . . . . A 40 THR H . 18870 1 418 . 1 1 40 40 THR HA H 1 3.925 0.01 . . . . . A 40 THR HA . 18870 1 419 . 1 1 40 40 THR HB H 1 4.167 0.01 . . . . . A 40 THR HB . 18870 1 420 . 1 1 40 40 THR HG21 H 1 1.137 0.01 . . . . . A 40 THR HG21 . 18870 1 421 . 1 1 40 40 THR HG22 H 1 1.137 0.01 . . . . . A 40 THR HG22 . 18870 1 422 . 1 1 40 40 THR HG23 H 1 1.137 0.01 . . . . . A 40 THR HG23 . 18870 1 423 . 1 1 40 40 THR C C 13 176.475 0.01 . . . . . A 40 THR C . 18870 1 424 . 1 1 40 40 THR CA C 13 66.06 0.01 . . . . . A 40 THR CA . 18870 1 425 . 1 1 40 40 THR CB C 13 69.37 0.01 . . . . . A 40 THR CB . 18870 1 426 . 1 1 40 40 THR CG2 C 13 21.911 0.01 . . . . . A 40 THR CG2 . 18870 1 427 . 1 1 40 40 THR N N 15 114.494 0.01 . . . . . A 40 THR N . 18870 1 428 . 1 1 41 41 MET H H 1 8.206 0.01 . . . . . A 41 MET H . 18870 1 429 . 1 1 41 41 MET HA H 1 3.746 0.01 . . . . . A 41 MET HA . 18870 1 430 . 1 1 41 41 MET HB2 H 1 1.902 0.01 . . . . . A 41 MET HB2 . 18870 1 431 . 1 1 41 41 MET HB3 H 1 1.469 0.01 . . . . . A 41 MET HB3 . 18870 1 432 . 1 1 41 41 MET HG2 H 1 2.199 0.01 . . . . . A 41 MET HG2 . 18870 1 433 . 1 1 41 41 MET HG3 H 1 1.758 0.01 . . . . . A 41 MET HG3 . 18870 1 434 . 1 1 41 41 MET HE1 H 1 1.812 0.01 . . . . . A 41 MET HE1 . 18870 1 435 . 1 1 41 41 MET HE2 H 1 1.812 0.01 . . . . . A 41 MET HE2 . 18870 1 436 . 1 1 41 41 MET HE3 H 1 1.812 0.01 . . . . . A 41 MET HE3 . 18870 1 437 . 1 1 41 41 MET C C 13 177.087 0.01 . . . . . A 41 MET C . 18870 1 438 . 1 1 41 41 MET CA C 13 59.43 0.01 . . . . . A 41 MET CA . 18870 1 439 . 1 1 41 41 MET CB C 13 34.79 0.01 . . . . . A 41 MET CB . 18870 1 440 . 1 1 41 41 MET CG C 13 31.96 0.01 . . . . . A 41 MET CG . 18870 1 441 . 1 1 41 41 MET CE C 13 17.081 0.01 . . . . . A 41 MET CE . 18870 1 442 . 1 1 41 41 MET N N 15 120.752 0.01 . . . . . A 41 MET N . 18870 1 443 . 1 1 42 42 PHE H H 1 7.667 0.01 . . . . . A 42 PHE H . 18870 1 444 . 1 1 42 42 PHE HA H 1 4.329 0.01 . . . . . A 42 PHE HA . 18870 1 445 . 1 1 42 42 PHE HB2 H 1 3.026 0.01 . . . . . A 42 PHE HB2 . 18870 1 446 . 1 1 42 42 PHE HB3 H 1 2.838 0.01 . . . . . A 42 PHE HB3 . 18870 1 447 . 1 1 42 42 PHE C C 13 173.355 0.01 . . . . . A 42 PHE C . 18870 1 448 . 1 1 42 42 PHE CA C 13 58.67 0.01 . . . . . A 42 PHE CA . 18870 1 449 . 1 1 42 42 PHE CB C 13 39.88 0.01 . . . . . A 42 PHE CB . 18870 1 450 . 1 1 42 42 PHE N N 15 112.993 0.01 . . . . . A 42 PHE N . 18870 1 451 . 1 1 43 43 LYS H H 1 7.483 0.01 . . . . . A 43 LYS H . 18870 1 452 . 1 1 43 43 LYS HA H 1 3.849 0.01 . . . . . A 43 LYS HA . 18870 1 453 . 1 1 43 43 LYS HB2 H 1 1.898 0.01 . . . . . A 43 LYS HB2 . 18870 1 454 . 1 1 43 43 LYS HB3 H 1 1.702 0.01 . . . . . A 43 LYS HB3 . 18870 1 455 . 1 1 43 43 LYS HG2 H 1 1.188 0.01 . . . . . A 43 LYS HG2 . 18870 1 456 . 1 1 43 43 LYS HG3 H 1 1.187 0.01 . . . . . A 43 LYS HG3 . 18870 1 457 . 1 1 43 43 LYS HD2 H 1 1.543 0.01 . . . . . A 43 LYS HD2 . 18870 1 458 . 1 1 43 43 LYS HD3 H 1 1.542 0.01 . . . . . A 43 LYS HD3 . 18870 1 459 . 1 1 43 43 LYS HE2 H 1 2.861 0.01 . . . . . A 43 LYS HE2 . 18870 1 460 . 1 1 43 43 LYS HE3 H 1 2.861 0.01 . . . . . A 43 LYS HE3 . 18870 1 461 . 1 1 43 43 LYS C C 13 174.55 0.01 . . . . . A 43 LYS C . 18870 1 462 . 1 1 43 43 LYS CA C 13 57.19 0.01 . . . . . A 43 LYS CA . 18870 1 463 . 1 1 43 43 LYS CB C 13 29.01 0.01 . . . . . A 43 LYS CB . 18870 1 464 . 1 1 43 43 LYS CG C 13 25.272 0.01 . . . . . A 43 LYS CG . 18870 1 465 . 1 1 43 43 LYS CD C 13 29.584 0.01 . . . . . A 43 LYS CD . 18870 1 466 . 1 1 43 43 LYS CE C 13 42.756 0.01 . . . . . A 43 LYS CE . 18870 1 467 . 1 1 43 43 LYS N N 15 119.006 0.01 . . . . . A 43 LYS N . 18870 1 468 . 1 1 44 44 LEU H H 1 7.934 0.01 . . . . . A 44 LEU H . 18870 1 469 . 1 1 44 44 LEU HA H 1 4.627 0.01 . . . . . A 44 LEU HA . 18870 1 470 . 1 1 44 44 LEU HB2 H 1 1.287 0.01 . . . . . A 44 LEU HB2 . 18870 1 471 . 1 1 44 44 LEU HB3 H 1 1.228 0.01 . . . . . A 44 LEU HB3 . 18870 1 472 . 1 1 44 44 LEU HG H 1 1.181 0.01 . . . . . A 44 LEU HG . 18870 1 473 . 1 1 44 44 LEU HD11 H 1 0.153 0.01 . . . . . A 44 LEU HD11 . 18870 1 474 . 1 1 44 44 LEU HD12 H 1 0.153 0.01 . . . . . A 44 LEU HD12 . 18870 1 475 . 1 1 44 44 LEU HD13 H 1 0.153 0.01 . . . . . A 44 LEU HD13 . 18870 1 476 . 1 1 44 44 LEU HD21 H 1 0.244 0.01 . . . . . A 44 LEU HD21 . 18870 1 477 . 1 1 44 44 LEU HD22 H 1 0.244 0.01 . . . . . A 44 LEU HD22 . 18870 1 478 . 1 1 44 44 LEU HD23 H 1 0.244 0.01 . . . . . A 44 LEU HD23 . 18870 1 479 . 1 1 44 44 LEU C C 13 176.135 0.01 . . . . . A 44 LEU C . 18870 1 480 . 1 1 44 44 LEU CA C 13 54.01 0.01 . . . . . A 44 LEU CA . 18870 1 481 . 1 1 44 44 LEU CB C 13 44.92 0.01 . . . . . A 44 LEU CB . 18870 1 482 . 1 1 44 44 LEU CG C 13 26.295 0.01 . . . . . A 44 LEU CG . 18870 1 483 . 1 1 44 44 LEU CD1 C 13 25.699 0.01 . . . . . A 44 LEU CD1 . 18870 1 484 . 1 1 44 44 LEU CD2 C 13 25.307 0.01 . . . . . A 44 LEU CD2 . 18870 1 485 . 1 1 44 44 LEU N N 15 116.643 0.01 . . . . . A 44 LEU N . 18870 1 486 . 1 1 45 45 THR H H 1 8.137 0.01 . . . . . A 45 THR H . 18870 1 487 . 1 1 45 45 THR HA H 1 4.366 0.01 . . . . . A 45 THR HA . 18870 1 488 . 1 1 45 45 THR HB H 1 3.915 0.01 . . . . . A 45 THR HB . 18870 1 489 . 1 1 45 45 THR HG21 H 1 1.047 0.01 . . . . . A 45 THR HG21 . 18870 1 490 . 1 1 45 45 THR HG22 H 1 1.047 0.01 . . . . . A 45 THR HG22 . 18870 1 491 . 1 1 45 45 THR HG23 H 1 1.047 0.01 . . . . . A 45 THR HG23 . 18870 1 492 . 1 1 45 45 THR C C 13 173.508 0.01 . . . . . A 45 THR C . 18870 1 493 . 1 1 45 45 THR CA C 13 62.47 0.01 . . . . . A 45 THR CA . 18870 1 494 . 1 1 45 45 THR CB C 13 70.34 0.01 . . . . . A 45 THR CB . 18870 1 495 . 1 1 45 45 THR CG2 C 13 22.023 0.01 . . . . . A 45 THR CG2 . 18870 1 496 . 1 1 45 45 THR N N 15 115.375 0.01 . . . . . A 45 THR N . 18870 1 497 . 1 1 46 46 ILE H H 1 8.232 0.01 . . . . . A 46 ILE H . 18870 1 498 . 1 1 46 46 ILE HA H 1 4.094 0.01 . . . . . A 46 ILE HA . 18870 1 499 . 1 1 46 46 ILE HB H 1 1.424 0.01 . . . . . A 46 ILE HB . 18870 1 500 . 1 1 46 46 ILE HG13 H 1 0.588 0.01 . . . . . A 46 ILE HG13 . 18870 1 501 . 1 1 46 46 ILE HG21 H 1 0.887 0.01 . . . . . A 46 ILE HG21 . 18870 1 502 . 1 1 46 46 ILE HG22 H 1 0.887 0.01 . . . . . A 46 ILE HG22 . 18870 1 503 . 1 1 46 46 ILE HG23 H 1 0.887 0.01 . . . . . A 46 ILE HG23 . 18870 1 504 . 1 1 46 46 ILE HD11 H 1 0.524 0.01 . . . . . A 46 ILE HD11 . 18870 1 505 . 1 1 46 46 ILE HD12 H 1 0.524 0.01 . . . . . A 46 ILE HD12 . 18870 1 506 . 1 1 46 46 ILE HD13 H 1 0.524 0.01 . . . . . A 46 ILE HD13 . 18870 1 507 . 1 1 46 46 ILE C C 13 175.255 0.01 . . . . . A 46 ILE C . 18870 1 508 . 1 1 46 46 ILE CA C 13 61.2 0.01 . . . . . A 46 ILE CA . 18870 1 509 . 1 1 46 46 ILE CB C 13 40.85 0.01 . . . . . A 46 ILE CB . 18870 1 510 . 1 1 46 46 ILE CG1 C 13 28.47 0.01 . . . . . A 46 ILE CG1 . 18870 1 511 . 1 1 46 46 ILE CG2 C 13 18.456 0.01 . . . . . A 46 ILE CG2 . 18870 1 512 . 1 1 46 46 ILE CD1 C 13 13.858 0.01 . . . . . A 46 ILE CD1 . 18870 1 513 . 1 1 46 46 ILE N N 15 126.127 0.01 . . . . . A 46 ILE N . 18870 1 514 . 1 1 47 47 GLY H H 1 8.384 0.01 . . . . . A 47 GLY H . 18870 1 515 . 1 1 47 47 GLY C C 13 172.244 0.01 . . . . . A 47 GLY C . 18870 1 516 . 1 1 47 47 GLY CA C 13 45.05 0.01 . . . . . A 47 GLY CA . 18870 1 517 . 1 1 47 47 GLY N N 15 113.138 0.01 . . . . . A 47 GLY N . 18870 1 518 . 1 1 48 48 GLU H H 1 7.969 0.01 . . . . . A 48 GLU H . 18870 1 519 . 1 1 48 48 GLU C C 13 176.004 0.01 . . . . . A 48 GLU C . 18870 1 520 . 1 1 48 48 GLU CA C 13 56.02 0.01 . . . . . A 48 GLU CA . 18870 1 521 . 1 1 48 48 GLU CB C 13 29.38 0.01 . . . . . A 48 GLU CB . 18870 1 522 . 1 1 48 48 GLU N N 15 116.754 0.01 . . . . . A 48 GLU N . 18870 1 523 . 1 1 49 49 TYR H H 1 8.266 0.01 . . . . . A 49 TYR H . 18870 1 524 . 1 1 49 49 TYR C C 13 175.358 0.01 . . . . . A 49 TYR C . 18870 1 525 . 1 1 49 49 TYR CA C 13 58.42 0.01 . . . . . A 49 TYR CA . 18870 1 526 . 1 1 49 49 TYR CB C 13 39.37 0.01 . . . . . A 49 TYR CB . 18870 1 527 . 1 1 49 49 TYR N N 15 123.188 0.01 . . . . . A 49 TYR N . 18870 1 528 . 1 1 50 50 SER H H 1 7.347 0.01 . . . . . A 50 SER H . 18870 1 529 . 1 1 50 50 SER HA H 1 4.154 0.01 . . . . . A 50 SER HA . 18870 1 530 . 1 1 50 50 SER HB2 H 1 3.437 0.01 . . . . . A 50 SER HB2 . 18870 1 531 . 1 1 50 50 SER HB3 H 1 3.674 0.01 . . . . . A 50 SER HB3 . 18870 1 532 . 1 1 50 50 SER C C 13 173.787 0.01 . . . . . A 50 SER C . 18870 1 533 . 1 1 50 50 SER CA C 13 56.51 0.01 . . . . . A 50 SER CA . 18870 1 534 . 1 1 50 50 SER CB C 13 64.8 0.01 . . . . . A 50 SER CB . 18870 1 535 . 1 1 50 50 SER N N 15 120.449 0.01 . . . . . A 50 SER N . 18870 1 536 . 1 1 51 51 GLU H H 1 8.46 0.01 . . . . . A 51 GLU H . 18870 1 537 . 1 1 51 51 GLU C C 13 174.579 0.01 . . . . . A 51 GLU C . 18870 1 538 . 1 1 51 51 GLU CA C 13 58.4 0.01 . . . . . A 51 GLU CA . 18870 1 539 . 1 1 51 51 GLU CB C 13 27.93 0.01 . . . . . A 51 GLU CB . 18870 1 540 . 1 1 51 51 GLU N N 15 124.126 0.01 . . . . . A 51 GLU N . 18870 1 541 . 1 1 52 52 ARG H H 1 7.913 0.01 . . . . . A 52 ARG H . 18870 1 542 . 1 1 52 52 ARG HA H 1 4.009 0.01 . . . . . A 52 ARG HA . 18870 1 543 . 1 1 52 52 ARG HB2 H 1 1.609 0.01 . . . . . A 52 ARG HB2 . 18870 1 544 . 1 1 52 52 ARG HB3 H 1 1.608 0.01 . . . . . A 52 ARG HB3 . 18870 1 545 . 1 1 52 52 ARG HG2 H 1 1.491 0.01 . . . . . A 52 ARG HG2 . 18870 1 546 . 1 1 52 52 ARG HG3 H 1 1.429 0.01 . . . . . A 52 ARG HG3 . 18870 1 547 . 1 1 52 52 ARG HD2 H 1 3.03 0.01 . . . . . A 52 ARG HD2 . 18870 1 548 . 1 1 52 52 ARG HD3 H 1 3.029 0.01 . . . . . A 52 ARG HD3 . 18870 1 549 . 1 1 52 52 ARG HE H 1 7.064 0.01 . . . . . A 52 ARG HE . 18870 1 550 . 1 1 52 52 ARG C C 13 177.247 0.01 . . . . . A 52 ARG C . 18870 1 551 . 1 1 52 52 ARG CA C 13 58 0.01 . . . . . A 52 ARG CA . 18870 1 552 . 1 1 52 52 ARG CB C 13 31.33 0.01 . . . . . A 52 ARG CB . 18870 1 553 . 1 1 52 52 ARG CG C 13 27.894 0.01 . . . . . A 52 ARG CG . 18870 1 554 . 1 1 52 52 ARG CD C 13 43.459 0.01 . . . . . A 52 ARG CD . 18870 1 555 . 1 1 52 52 ARG N N 15 115.993 0.01 . . . . . A 52 ARG N . 18870 1 556 . 1 1 52 52 ARG NE N 15 84.104 0.01 . . . . . A 52 ARG NE . 18870 1 557 . 1 1 53 53 GLU H H 1 7.406 0.01 . . . . . A 53 GLU H . 18870 1 558 . 1 1 53 53 GLU C C 13 176.233 0.01 . . . . . A 53 GLU C . 18870 1 559 . 1 1 53 53 GLU CA C 13 55.34 0.01 . . . . . A 53 GLU CA . 18870 1 560 . 1 1 53 53 GLU N N 15 114.247 0.01 . . . . . A 53 GLU N . 18870 1 561 . 1 1 54 54 GLY H H 1 8.078 0.01 . . . . . A 54 GLY H . 18870 1 562 . 1 1 54 54 GLY HA2 H 1 3.342 0.01 . . . . . A 54 GLY HA2 . 18870 1 563 . 1 1 54 54 GLY HA3 H 1 3.669 0.01 . . . . . A 54 GLY HA3 . 18870 1 564 . 1 1 54 54 GLY CA C 13 46.77 0.01 . . . . . A 54 GLY CA . 18870 1 565 . 1 1 54 54 GLY N N 15 112.373 0.01 . . . . . A 54 GLY N . 18870 1 566 . 1 1 56 56 LYS C C 13 174.269 0.01 . . . . . A 56 LYS C . 18870 1 567 . 1 1 57 57 GLY H H 1 8.053 0.01 . . . . . A 57 GLY H . 18870 1 568 . 1 1 57 57 GLY HA2 H 1 3.41 0.01 . . . . . A 57 GLY HA2 . 18870 1 569 . 1 1 57 57 GLY HA3 H 1 3.733 0.01 . . . . . A 57 GLY HA3 . 18870 1 570 . 1 1 57 57 GLY C C 13 174.196 0.01 . . . . . A 57 GLY C . 18870 1 571 . 1 1 57 57 GLY CA C 13 45.6 0.01 . . . . . A 57 GLY CA . 18870 1 572 . 1 1 57 57 GLY N N 15 107.999 0.01 . . . . . A 57 GLY N . 18870 1 573 . 1 1 58 58 SER H H 1 8.016 0.01 . . . . . A 58 SER H . 18870 1 574 . 1 1 58 58 SER HA H 1 4.209 0.01 . . . . . A 58 SER HA . 18870 1 575 . 1 1 58 58 SER HB2 H 1 3.651 0.01 . . . . . A 58 SER HB2 . 18870 1 576 . 1 1 58 58 SER HB3 H 1 3.614 0.01 . . . . . A 58 SER HB3 . 18870 1 577 . 1 1 58 58 SER C C 13 174.582 0.01 . . . . . A 58 SER C . 18870 1 578 . 1 1 58 58 SER CA C 13 58.73 0.01 . . . . . A 58 SER CA . 18870 1 579 . 1 1 58 58 SER CB C 13 64.07 0.01 . . . . . A 58 SER CB . 18870 1 580 . 1 1 58 58 SER N N 15 115.126 0.01 . . . . . A 58 SER N . 18870 1 581 . 1 1 59 59 GLU H H 1 8.435 0.01 . . . . . A 59 GLU H . 18870 1 582 . 1 1 59 59 GLU C C 13 175.837 0.01 . . . . . A 59 GLU C . 18870 1 583 . 1 1 59 59 GLU CA C 13 55.27 0.01 . . . . . A 59 GLU CA . 18870 1 584 . 1 1 59 59 GLU CB C 13 28.62 0.01 . . . . . A 59 GLU CB . 18870 1 585 . 1 1 59 59 GLU N N 15 119.746 0.01 . . . . . A 59 GLU N . 18870 1 586 . 1 1 60 60 TYR H H 1 7.732 0.01 . . . . . A 60 TYR H . 18870 1 587 . 1 1 60 60 TYR HA H 1 4.928 0.01 . . . . . A 60 TYR HA . 18870 1 588 . 1 1 60 60 TYR HB2 H 1 2.443 0.01 . . . . . A 60 TYR HB2 . 18870 1 589 . 1 1 60 60 TYR HB3 H 1 2.358 0.01 . . . . . A 60 TYR HB3 . 18870 1 590 . 1 1 60 60 TYR HD1 H 1 6.84 0.01 . . . . . A 60 TYR HD1 . 18870 1 591 . 1 1 60 60 TYR HD2 H 1 6.84 0.01 . . . . . A 60 TYR HD2 . 18870 1 592 . 1 1 60 60 TYR HE1 H 1 6.651 0.01 . . . . . A 60 TYR HE1 . 18870 1 593 . 1 1 60 60 TYR HE2 H 1 6.651 0.01 . . . . . A 60 TYR HE2 . 18870 1 594 . 1 1 60 60 TYR C C 13 174.264 0.01 . . . . . A 60 TYR C . 18870 1 595 . 1 1 60 60 TYR CA C 13 57.13 0.01 . . . . . A 60 TYR CA . 18870 1 596 . 1 1 60 60 TYR CB C 13 42.45 0.01 . . . . . A 60 TYR CB . 18870 1 597 . 1 1 60 60 TYR CD1 C 13 130.668 0.01 . . . . . A 60 TYR CD1 . 18870 1 598 . 1 1 60 60 TYR CE1 C 13 115.763 0.01 . . . . . A 60 TYR CE1 . 18870 1 599 . 1 1 60 60 TYR N N 15 114.738 0.01 . . . . . A 60 TYR N . 18870 1 600 . 1 1 61 61 ALA H H 1 9.07 0.01 . . . . . A 61 ALA H . 18870 1 601 . 1 1 61 61 ALA HA H 1 4.554 0.01 . . . . . A 61 ALA HA . 18870 1 602 . 1 1 61 61 ALA HB1 H 1 0.956 0.01 . . . . . A 61 ALA HB1 . 18870 1 603 . 1 1 61 61 ALA HB2 H 1 0.956 0.01 . . . . . A 61 ALA HB2 . 18870 1 604 . 1 1 61 61 ALA HB3 H 1 0.956 0.01 . . . . . A 61 ALA HB3 . 18870 1 605 . 1 1 61 61 ALA CA C 13 48.17 0.01 . . . . . A 61 ALA CA . 18870 1 606 . 1 1 61 61 ALA CB C 13 21.26 0.01 . . . . . A 61 ALA CB . 18870 1 607 . 1 1 61 61 ALA N N 15 122.622 0.01 . . . . . A 61 ALA N . 18870 1 608 . 1 1 62 62 PRO HA H 1 4.565 0.01 . . . . . A 62 PRO HA . 18870 1 609 . 1 1 62 62 PRO HB2 H 1 1.626 0.01 . . . . . A 62 PRO HB2 . 18870 1 610 . 1 1 62 62 PRO HB3 H 1 1.494 0.01 . . . . . A 62 PRO HB3 . 18870 1 611 . 1 1 62 62 PRO HG2 H 1 2.163 0.01 . . . . . A 62 PRO HG2 . 18870 1 612 . 1 1 62 62 PRO HG3 H 1 1.555 0.01 . . . . . A 62 PRO HG3 . 18870 1 613 . 1 1 62 62 PRO HD2 H 1 2.975 0.01 . . . . . A 62 PRO HD2 . 18870 1 614 . 1 1 62 62 PRO HD3 H 1 2.449 0.01 . . . . . A 62 PRO HD3 . 18870 1 615 . 1 1 62 62 PRO C C 13 174.112 0.01 . . . . . A 62 PRO C . 18870 1 616 . 1 1 62 62 PRO CA C 13 62.27 0.01 . . . . . A 62 PRO CA . 18870 1 617 . 1 1 62 62 PRO CB C 13 30.8 0.01 . . . . . A 62 PRO CB . 18870 1 618 . 1 1 62 62 PRO CG C 13 28.069 0.01 . . . . . A 62 PRO CG . 18870 1 619 . 1 1 62 62 PRO CD C 13 49.69 0.01 . . . . . A 62 PRO CD . 18870 1 620 . 1 1 63 63 THR H H 1 8.545 0.01 . . . . . A 63 THR H . 18870 1 621 . 1 1 63 63 THR HA H 1 5.546 0.01 . . . . . A 63 THR HA . 18870 1 622 . 1 1 63 63 THR HB H 1 4.278 0.01 . . . . . A 63 THR HB . 18870 1 623 . 1 1 63 63 THR HG21 H 1 1.072 0.01 . . . . . A 63 THR HG21 . 18870 1 624 . 1 1 63 63 THR HG22 H 1 1.072 0.01 . . . . . A 63 THR HG22 . 18870 1 625 . 1 1 63 63 THR HG23 H 1 1.072 0.01 . . . . . A 63 THR HG23 . 18870 1 626 . 1 1 63 63 THR C C 13 172.855 0.01 . . . . . A 63 THR C . 18870 1 627 . 1 1 63 63 THR CA C 13 60.48 0.01 . . . . . A 63 THR CA . 18870 1 628 . 1 1 63 63 THR CB C 13 73.42 0.01 . . . . . A 63 THR CB . 18870 1 629 . 1 1 63 63 THR CG2 C 13 22.789 0.01 . . . . . A 63 THR CG2 . 18870 1 630 . 1 1 63 63 THR N N 15 116.92 0.01 . . . . . A 63 THR N . 18870 1 631 . 1 1 64 64 TYR H H 1 9.909 0.01 . . . . . A 64 TYR H . 18870 1 632 . 1 1 64 64 TYR C C 13 170.694 0.01 . . . . . A 64 TYR C . 18870 1 633 . 1 1 64 64 TYR CA C 13 55.79 0.01 . . . . . A 64 TYR CA . 18870 1 634 . 1 1 64 64 TYR CB C 13 42.61 0.01 . . . . . A 64 TYR CB . 18870 1 635 . 1 1 64 64 TYR N N 15 118.754 0.01 . . . . . A 64 TYR N . 18870 1 636 . 1 1 65 65 GLU H H 1 7.812 0.01 . . . . . A 65 GLU H . 18870 1 637 . 1 1 65 65 GLU HA H 1 4.053 0.01 . . . . . A 65 GLU HA . 18870 1 638 . 1 1 65 65 GLU HB2 H 1 0.921 0.01 . . . . . A 65 GLU HB2 . 18870 1 639 . 1 1 65 65 GLU HB3 H 1 -0.647 0.01 . . . . . A 65 GLU HB3 . 18870 1 640 . 1 1 65 65 GLU HG2 H 1 2.095 0.01 . . . . . A 65 GLU HG2 . 18870 1 641 . 1 1 65 65 GLU HG3 H 1 0.673 0.01 . . . . . A 65 GLU HG3 . 18870 1 642 . 1 1 65 65 GLU C C 13 175.823 0.01 . . . . . A 65 GLU C . 18870 1 643 . 1 1 65 65 GLU CA C 13 52.31 0.01 . . . . . A 65 GLU CA . 18870 1 644 . 1 1 65 65 GLU CB C 13 30.23 0.01 . . . . . A 65 GLU CB . 18870 1 645 . 1 1 65 65 GLU CG C 13 31.994 0.01 . . . . . A 65 GLU CG . 18870 1 646 . 1 1 65 65 GLU N N 15 121.754 0.01 . . . . . A 65 GLU N . 18870 1 647 . 1 1 66 66 ASP H H 1 8.245 0.01 . . . . . A 66 ASP H . 18870 1 648 . 1 1 66 66 ASP HA H 1 5.112 0.01 . . . . . A 66 ASP HA . 18870 1 649 . 1 1 66 66 ASP HB2 H 1 2.521 0.01 . . . . . A 66 ASP HB2 . 18870 1 650 . 1 1 66 66 ASP HB3 H 1 3.262 0.01 . . . . . A 66 ASP HB3 . 18870 1 651 . 1 1 66 66 ASP C C 13 177.262 0.01 . . . . . A 66 ASP C . 18870 1 652 . 1 1 66 66 ASP CA C 13 51.85 0.01 . . . . . A 66 ASP CA . 18870 1 653 . 1 1 66 66 ASP CB C 13 40.69 0.01 . . . . . A 66 ASP CB . 18870 1 654 . 1 1 66 66 ASP N N 15 125.138 0.01 . . . . . A 66 ASP N . 18870 1 655 . 1 1 67 67 LYS H H 1 8.102 0.01 . . . . . A 67 LYS H . 18870 1 656 . 1 1 67 67 LYS C C 13 176.46 0.01 . . . . . A 67 LYS C . 18870 1 657 . 1 1 67 67 LYS CA C 13 58.97 0.01 . . . . . A 67 LYS CA . 18870 1 658 . 1 1 67 67 LYS CB C 13 32.29 0.01 . . . . . A 67 LYS CB . 18870 1 659 . 1 1 67 67 LYS N N 15 117.94 0.01 . . . . . A 67 LYS N . 18870 1 660 . 1 1 68 68 ASP H H 1 7.66 0.01 . . . . . A 68 ASP H . 18870 1 661 . 1 1 68 68 ASP HA H 1 4.559 0.01 . . . . . A 68 ASP HA . 18870 1 662 . 1 1 68 68 ASP HB2 H 1 2.826 0.01 . . . . . A 68 ASP HB2 . 18870 1 663 . 1 1 68 68 ASP HB3 H 1 2.609 0.01 . . . . . A 68 ASP HB3 . 18870 1 664 . 1 1 68 68 ASP C C 13 175.211 0.01 . . . . . A 68 ASP C . 18870 1 665 . 1 1 68 68 ASP CA C 13 53.52 0.01 . . . . . A 68 ASP CA . 18870 1 666 . 1 1 68 68 ASP CB C 13 39.04 0.01 . . . . . A 68 ASP CB . 18870 1 667 . 1 1 68 68 ASP N N 15 116.739 0.01 . . . . . A 68 ASP N . 18870 1 668 . 1 1 69 69 GLY H H 1 7.786 0.01 . . . . . A 69 GLY H . 18870 1 669 . 1 1 69 69 GLY HA2 H 1 3.636 0.01 . . . . . A 69 GLY HA2 . 18870 1 670 . 1 1 69 69 GLY HA3 H 1 4.017 0.01 . . . . . A 69 GLY HA3 . 18870 1 671 . 1 1 69 69 GLY C C 13 173.494 0.01 . . . . . A 69 GLY C . 18870 1 672 . 1 1 69 69 GLY CA C 13 45.18 0.01 . . . . . A 69 GLY CA . 18870 1 673 . 1 1 69 69 GLY N N 15 107.127 0.01 . . . . . A 69 GLY N . 18870 1 674 . 1 1 70 70 ASP H H 1 7.57 0.01 . . . . . A 70 ASP H . 18870 1 675 . 1 1 70 70 ASP HA H 1 4.687 0.01 . . . . . A 70 ASP HA . 18870 1 676 . 1 1 70 70 ASP HB2 H 1 2.453 0.01 . . . . . A 70 ASP HB2 . 18870 1 677 . 1 1 70 70 ASP HB3 H 1 2.612 0.01 . . . . . A 70 ASP HB3 . 18870 1 678 . 1 1 70 70 ASP C C 13 173.815 0.01 . . . . . A 70 ASP C . 18870 1 679 . 1 1 70 70 ASP CA C 13 52.94 0.01 . . . . . A 70 ASP CA . 18870 1 680 . 1 1 70 70 ASP CB C 13 40.24 0.01 . . . . . A 70 ASP CB . 18870 1 681 . 1 1 70 70 ASP N N 15 118.511 0.01 . . . . . A 70 ASP N . 18870 1 682 . 1 1 71 71 TRP H H 1 8.422 0.01 . . . . . A 71 TRP H . 18870 1 683 . 1 1 71 71 TRP HA H 1 5.013 0.01 . . . . . A 71 TRP HA . 18870 1 684 . 1 1 71 71 TRP HB2 H 1 2.794 0.01 . . . . . A 71 TRP HB2 . 18870 1 685 . 1 1 71 71 TRP HB3 H 1 2.793 0.01 . . . . . A 71 TRP HB3 . 18870 1 686 . 1 1 71 71 TRP HD1 H 1 7.153 0.01 . . . . . A 71 TRP HD1 . 18870 1 687 . 1 1 71 71 TRP HE1 H 1 9.881 0.01 . . . . . A 71 TRP HE1 . 18870 1 688 . 1 1 71 71 TRP HE3 H 1 6.627 0.01 . . . . . A 71 TRP HE3 . 18870 1 689 . 1 1 71 71 TRP HZ2 H 1 7.139 0.01 . . . . . A 71 TRP HZ2 . 18870 1 690 . 1 1 71 71 TRP C C 13 176.124 0.01 . . . . . A 71 TRP C . 18870 1 691 . 1 1 71 71 TRP CA C 13 56.78 0.01 . . . . . A 71 TRP CA . 18870 1 692 . 1 1 71 71 TRP CB C 13 30.35 0.01 . . . . . A 71 TRP CB . 18870 1 693 . 1 1 71 71 TRP CD1 C 13 124.93 0.01 . . . . . A 71 TRP CD1 . 18870 1 694 . 1 1 71 71 TRP CE3 C 13 119.866 0.01 . . . . . A 71 TRP CE3 . 18870 1 695 . 1 1 71 71 TRP CZ2 C 13 111.755 0.01 . . . . . A 71 TRP CZ2 . 18870 1 696 . 1 1 71 71 TRP N N 15 122.005 0.01 . . . . . A 71 TRP N . 18870 1 697 . 1 1 71 71 TRP NE1 N 15 129.041 0.01 . . . . . A 71 TRP NE1 . 18870 1 698 . 1 1 72 72 MET H H 1 8.971 0.01 . . . . . A 72 MET H . 18870 1 699 . 1 1 72 72 MET HA H 1 4.606 0.01 . . . . . A 72 MET HA . 18870 1 700 . 1 1 72 72 MET HB2 H 1 1.982 0.01 . . . . . A 72 MET HB2 . 18870 1 701 . 1 1 72 72 MET HB3 H 1 1.038 0.01 . . . . . A 72 MET HB3 . 18870 1 702 . 1 1 72 72 MET HG2 H 1 2.107 0.01 . . . . . A 72 MET HG2 . 18870 1 703 . 1 1 72 72 MET HG3 H 1 2.106 0.01 . . . . . A 72 MET HG3 . 18870 1 704 . 1 1 72 72 MET HE1 H 1 1.727 0.01 . . . . . A 72 MET HE1 . 18870 1 705 . 1 1 72 72 MET HE2 H 1 1.727 0.01 . . . . . A 72 MET HE2 . 18870 1 706 . 1 1 72 72 MET HE3 H 1 1.727 0.01 . . . . . A 72 MET HE3 . 18870 1 707 . 1 1 72 72 MET C C 13 175.077 0.01 . . . . . A 72 MET C . 18870 1 708 . 1 1 72 72 MET CA C 13 54.08 0.01 . . . . . A 72 MET CA . 18870 1 709 . 1 1 72 72 MET CB C 13 36.31 0.01 . . . . . A 72 MET CB . 18870 1 710 . 1 1 72 72 MET CG C 13 32.728 0.01 . . . . . A 72 MET CG . 18870 1 711 . 1 1 72 72 MET CE C 13 17.598 0.01 . . . . . A 72 MET CE . 18870 1 712 . 1 1 72 72 MET N N 15 121.761 0.01 . . . . . A 72 MET N . 18870 1 713 . 1 1 73 73 LEU H H 1 8.232 0.01 . . . . . A 73 LEU H . 18870 1 714 . 1 1 73 73 LEU HA H 1 4.476 0.01 . . . . . A 73 LEU HA . 18870 1 715 . 1 1 73 73 LEU HB2 H 1 1.812 0.01 . . . . . A 73 LEU HB2 . 18870 1 716 . 1 1 73 73 LEU HB3 H 1 1.409 0.01 . . . . . A 73 LEU HB3 . 18870 1 717 . 1 1 73 73 LEU HG H 1 1.768 0.01 . . . . . A 73 LEU HG . 18870 1 718 . 1 1 73 73 LEU HD11 H 1 1.012 0.01 . . . . . A 73 LEU HD11 . 18870 1 719 . 1 1 73 73 LEU HD12 H 1 1.012 0.01 . . . . . A 73 LEU HD12 . 18870 1 720 . 1 1 73 73 LEU HD13 H 1 1.012 0.01 . . . . . A 73 LEU HD13 . 18870 1 721 . 1 1 73 73 LEU HD21 H 1 0.868 0.01 . . . . . A 73 LEU HD21 . 18870 1 722 . 1 1 73 73 LEU HD22 H 1 0.868 0.01 . . . . . A 73 LEU HD22 . 18870 1 723 . 1 1 73 73 LEU HD23 H 1 0.868 0.01 . . . . . A 73 LEU HD23 . 18870 1 724 . 1 1 73 73 LEU C C 13 177.423 0.01 . . . . . A 73 LEU C . 18870 1 725 . 1 1 73 73 LEU CA C 13 55.43 0.01 . . . . . A 73 LEU CA . 18870 1 726 . 1 1 73 73 LEU CB C 13 42.99 0.01 . . . . . A 73 LEU CB . 18870 1 727 . 1 1 73 73 LEU CG C 13 27.279 0.01 . . . . . A 73 LEU CG . 18870 1 728 . 1 1 73 73 LEU CD1 C 13 26.567 0.01 . . . . . A 73 LEU CD1 . 18870 1 729 . 1 1 73 73 LEU CD2 C 13 23.948 0.01 . . . . . A 73 LEU CD2 . 18870 1 730 . 1 1 73 73 LEU N N 15 119.378 0.01 . . . . . A 73 LEU N . 18870 1 731 . 1 1 74 74 VAL H H 1 8.015 0.01 . . . . . A 74 VAL H . 18870 1 732 . 1 1 74 74 VAL HA H 1 3.416 0.01 . . . . . A 74 VAL HA . 18870 1 733 . 1 1 74 74 VAL HB H 1 1.691 0.01 . . . . . A 74 VAL HB . 18870 1 734 . 1 1 74 74 VAL HG11 H 1 0.802 0.01 . . . . . A 74 VAL HG11 . 18870 1 735 . 1 1 74 74 VAL HG12 H 1 0.802 0.01 . . . . . A 74 VAL HG12 . 18870 1 736 . 1 1 74 74 VAL HG13 H 1 0.802 0.01 . . . . . A 74 VAL HG13 . 18870 1 737 . 1 1 74 74 VAL HG21 H 1 0.379 0.01 . . . . . A 74 VAL HG21 . 18870 1 738 . 1 1 74 74 VAL HG22 H 1 0.379 0.01 . . . . . A 74 VAL HG22 . 18870 1 739 . 1 1 74 74 VAL HG23 H 1 0.379 0.01 . . . . . A 74 VAL HG23 . 18870 1 740 . 1 1 74 74 VAL C C 13 175.199 0.01 . . . . . A 74 VAL C . 18870 1 741 . 1 1 74 74 VAL CA C 13 65.25 0.01 . . . . . A 74 VAL CA . 18870 1 742 . 1 1 74 74 VAL CB C 13 31.93 0.01 . . . . . A 74 VAL CB . 18870 1 743 . 1 1 74 74 VAL CG1 C 13 24.387 0.01 . . . . . A 74 VAL CG1 . 18870 1 744 . 1 1 74 74 VAL CG2 C 13 22.344 0.01 . . . . . A 74 VAL CG2 . 18870 1 745 . 1 1 74 74 VAL N N 15 121.624 0.01 . . . . . A 74 VAL N . 18870 1 746 . 1 1 75 75 GLY H H 1 8.337 0.01 . . . . . A 75 GLY H . 18870 1 747 . 1 1 75 75 GLY HA2 H 1 1.628 0.01 . . . . . A 75 GLY HA2 . 18870 1 748 . 1 1 75 75 GLY HA3 H 1 3.241 0.01 . . . . . A 75 GLY HA3 . 18870 1 749 . 1 1 75 75 GLY C C 13 173.65 0.01 . . . . . A 75 GLY C . 18870 1 750 . 1 1 75 75 GLY CA C 13 43.02 0.01 . . . . . A 75 GLY CA . 18870 1 751 . 1 1 75 75 GLY N N 15 116.749 0.01 . . . . . A 75 GLY N . 18870 1 752 . 1 1 76 76 ASP H H 1 7.673 0.01 . . . . . A 76 ASP H . 18870 1 753 . 1 1 76 76 ASP HA H 1 4.315 0.01 . . . . . A 76 ASP HA . 18870 1 754 . 1 1 76 76 ASP HB2 H 1 2.839 0.01 . . . . . A 76 ASP HB2 . 18870 1 755 . 1 1 76 76 ASP HB3 H 1 2.838 0.01 . . . . . A 76 ASP HB3 . 18870 1 756 . 1 1 76 76 ASP C C 13 174.609 0.01 . . . . . A 76 ASP C . 18870 1 757 . 1 1 76 76 ASP CA C 13 55.67 0.01 . . . . . A 76 ASP CA . 18870 1 758 . 1 1 76 76 ASP CB C 13 40.16 0.01 . . . . . A 76 ASP CB . 18870 1 759 . 1 1 76 76 ASP N N 15 118.899 0.01 . . . . . A 76 ASP N . 18870 1 760 . 1 1 77 77 VAL H H 1 7.228 0.01 . . . . . A 77 VAL H . 18870 1 761 . 1 1 77 77 VAL HA H 1 4.886 0.01 . . . . . A 77 VAL HA . 18870 1 762 . 1 1 77 77 VAL HB H 1 2.339 0.01 . . . . . A 77 VAL HB . 18870 1 763 . 1 1 77 77 VAL HG11 H 1 0.866 0.01 . . . . . A 77 VAL HG11 . 18870 1 764 . 1 1 77 77 VAL HG12 H 1 0.866 0.01 . . . . . A 77 VAL HG12 . 18870 1 765 . 1 1 77 77 VAL HG13 H 1 0.866 0.01 . . . . . A 77 VAL HG13 . 18870 1 766 . 1 1 77 77 VAL HG21 H 1 0.779 0.01 . . . . . A 77 VAL HG21 . 18870 1 767 . 1 1 77 77 VAL HG22 H 1 0.779 0.01 . . . . . A 77 VAL HG22 . 18870 1 768 . 1 1 77 77 VAL HG23 H 1 0.779 0.01 . . . . . A 77 VAL HG23 . 18870 1 769 . 1 1 77 77 VAL C C 13 176.924 0.01 . . . . . A 77 VAL C . 18870 1 770 . 1 1 77 77 VAL CA C 13 58.41 0.01 . . . . . A 77 VAL CA . 18870 1 771 . 1 1 77 77 VAL CB C 13 33.272 0.01 . . . . . A 77 VAL CB . 18870 1 772 . 1 1 77 77 VAL CG1 C 13 21.677 0.01 . . . . . A 77 VAL CG1 . 18870 1 773 . 1 1 77 77 VAL CG2 C 13 18.2 0.01 . . . . . A 77 VAL CG2 . 18870 1 774 . 1 1 77 77 VAL N N 15 111.126 0.01 . . . . . A 77 VAL N . 18870 1 775 . 1 1 78 78 PRO HA H 1 4.585 0.01 . . . . . A 78 PRO HA . 18870 1 776 . 1 1 78 78 PRO HB2 H 1 2.497 0.01 . . . . . A 78 PRO HB2 . 18870 1 777 . 1 1 78 78 PRO HB3 H 1 1.861 0.01 . . . . . A 78 PRO HB3 . 18870 1 778 . 1 1 78 78 PRO HG2 H 1 2.093 0.01 . . . . . A 78 PRO HG2 . 18870 1 779 . 1 1 78 78 PRO HG3 H 1 1.972 0.01 . . . . . A 78 PRO HG3 . 18870 1 780 . 1 1 78 78 PRO HD2 H 1 3.859 0.01 . . . . . A 78 PRO HD2 . 18870 1 781 . 1 1 78 78 PRO HD3 H 1 3.623 0.01 . . . . . A 78 PRO HD3 . 18870 1 782 . 1 1 78 78 PRO CA C 13 64.063 0.01 . . . . . A 78 PRO CA . 18870 1 783 . 1 1 78 78 PRO CB C 13 32.834 0.01 . . . . . A 78 PRO CB . 18870 1 784 . 1 1 78 78 PRO CG C 13 28.596 0.01 . . . . . A 78 PRO CG . 18870 1 785 . 1 1 78 78 PRO CD C 13 51.724 0.01 . . . . . A 78 PRO CD . 18870 1 786 . 1 1 79 79 TRP H H 1 9.236 0.01 . . . . . A 79 TRP H . 18870 1 787 . 1 1 79 79 TRP HA H 1 3.917 0.01 . . . . . A 79 TRP HA . 18870 1 788 . 1 1 79 79 TRP HB2 H 1 3.02 0.01 . . . . . A 79 TRP HB2 . 18870 1 789 . 1 1 79 79 TRP HB3 H 1 2.903 0.01 . . . . . A 79 TRP HB3 . 18870 1 790 . 1 1 79 79 TRP HD1 H 1 6.936 0.01 . . . . . A 79 TRP HD1 . 18870 1 791 . 1 1 79 79 TRP HE1 H 1 9.852 0.01 . . . . . A 79 TRP HE1 . 18870 1 792 . 1 1 79 79 TRP HE3 H 1 6.827 0.01 . . . . . A 79 TRP HE3 . 18870 1 793 . 1 1 79 79 TRP HZ2 H 1 7.549 0.01 . . . . . A 79 TRP HZ2 . 18870 1 794 . 1 1 79 79 TRP HZ3 H 1 6.183 0.01 . . . . . A 79 TRP HZ3 . 18870 1 795 . 1 1 79 79 TRP C C 13 176.301 0.01 . . . . . A 79 TRP C . 18870 1 796 . 1 1 79 79 TRP CA C 13 61.007 0.01 . . . . . A 79 TRP CA . 18870 1 797 . 1 1 79 79 TRP CB C 13 30.04 0.01 . . . . . A 79 TRP CB . 18870 1 798 . 1 1 79 79 TRP CD1 C 13 124.494 0.01 . . . . . A 79 TRP CD1 . 18870 1 799 . 1 1 79 79 TRP CE3 C 13 119.62 0.01 . . . . . A 79 TRP CE3 . 18870 1 800 . 1 1 79 79 TRP CZ2 C 13 112.984 0.01 . . . . . A 79 TRP CZ2 . 18870 1 801 . 1 1 79 79 TRP CZ3 C 13 118.543 0.01 . . . . . A 79 TRP CZ3 . 18870 1 802 . 1 1 79 79 TRP N N 15 125.757 0.01 . . . . . A 79 TRP N . 18870 1 803 . 1 1 79 79 TRP NE1 N 15 129.504 0.01 . . . . . A 79 TRP NE1 . 18870 1 804 . 1 1 80 80 ASP H H 1 8.958 0.01 . . . . . A 80 ASP H . 18870 1 805 . 1 1 80 80 ASP HA H 1 3.996 0.01 . . . . . A 80 ASP HA . 18870 1 806 . 1 1 80 80 ASP HB2 H 1 2.721 0.01 . . . . . A 80 ASP HB2 . 18870 1 807 . 1 1 80 80 ASP HB3 H 1 2.771 0.01 . . . . . A 80 ASP HB3 . 18870 1 808 . 1 1 80 80 ASP C C 13 177.23 0.01 . . . . . A 80 ASP C . 18870 1 809 . 1 1 80 80 ASP CA C 13 56.47 0.01 . . . . . A 80 ASP CA . 18870 1 810 . 1 1 80 80 ASP CB C 13 37.68 0.01 . . . . . A 80 ASP CB . 18870 1 811 . 1 1 80 80 ASP N N 15 112.754 0.01 . . . . . A 80 ASP N . 18870 1 812 . 1 1 81 81 MET H H 1 7.184 0.01 . . . . . A 81 MET H . 18870 1 813 . 1 1 81 81 MET HA H 1 4.148 0.01 . . . . . A 81 MET HA . 18870 1 814 . 1 1 81 81 MET HB2 H 1 2.017 0.01 . . . . . A 81 MET HB2 . 18870 1 815 . 1 1 81 81 MET HB3 H 1 1.963 0.01 . . . . . A 81 MET HB3 . 18870 1 816 . 1 1 81 81 MET HG2 H 1 2.469 0.01 . . . . . A 81 MET HG2 . 18870 1 817 . 1 1 81 81 MET HG3 H 1 2.382 0.01 . . . . . A 81 MET HG3 . 18870 1 818 . 1 1 81 81 MET HE1 H 1 1.983 0.01 . . . . . A 81 MET HE1 . 18870 1 819 . 1 1 81 81 MET HE2 H 1 1.983 0.01 . . . . . A 81 MET HE2 . 18870 1 820 . 1 1 81 81 MET HE3 H 1 1.983 0.01 . . . . . A 81 MET HE3 . 18870 1 821 . 1 1 81 81 MET C C 13 177.854 0.01 . . . . . A 81 MET C . 18870 1 822 . 1 1 81 81 MET CA C 13 57.07 0.01 . . . . . A 81 MET CA . 18870 1 823 . 1 1 81 81 MET CB C 13 32.96 0.01 . . . . . A 81 MET CB . 18870 1 824 . 1 1 81 81 MET CG C 13 32.52 0.01 . . . . . A 81 MET CG . 18870 1 825 . 1 1 81 81 MET CE C 13 17.43 0.01 . . . . . A 81 MET CE . 18870 1 826 . 1 1 81 81 MET N N 15 117.746 0.01 . . . . . A 81 MET N . 18870 1 827 . 1 1 82 82 PHE H H 1 7.838 0.01 . . . . . A 82 PHE H . 18870 1 828 . 1 1 82 82 PHE HA H 1 3.635 0.01 . . . . . A 82 PHE HA . 18870 1 829 . 1 1 82 82 PHE HB2 H 1 2.859 0.01 . . . . . A 82 PHE HB2 . 18870 1 830 . 1 1 82 82 PHE HB3 H 1 2.726 0.01 . . . . . A 82 PHE HB3 . 18870 1 831 . 1 1 82 82 PHE HD1 H 1 5.791 0.01 . . . . . A 82 PHE HD1 . 18870 1 832 . 1 1 82 82 PHE HD2 H 1 5.791 0.01 . . . . . A 82 PHE HD2 . 18870 1 833 . 1 1 82 82 PHE HE1 H 1 6.301 0.01 . . . . . A 82 PHE HE1 . 18870 1 834 . 1 1 82 82 PHE HE2 H 1 6.301 0.01 . . . . . A 82 PHE HE2 . 18870 1 835 . 1 1 82 82 PHE HZ H 1 6.696 0.01 . . . . . A 82 PHE HZ . 18870 1 836 . 1 1 82 82 PHE C C 13 176.468 0.01 . . . . . A 82 PHE C . 18870 1 837 . 1 1 82 82 PHE CA C 13 60.5 0.01 . . . . . A 82 PHE CA . 18870 1 838 . 1 1 82 82 PHE CB C 13 40.44 0.01 . . . . . A 82 PHE CB . 18870 1 839 . 1 1 82 82 PHE CD2 C 13 129.89 0.01 . . . . . A 82 PHE CD2 . 18870 1 840 . 1 1 82 82 PHE CE2 C 13 128.2 0.01 . . . . . A 82 PHE CE2 . 18870 1 841 . 1 1 82 82 PHE CZ C 13 125.5 0.01 . . . . . A 82 PHE CZ . 18870 1 842 . 1 1 82 82 PHE N N 15 124.743 0.01 . . . . . A 82 PHE N . 18870 1 843 . 1 1 83 83 VAL H H 1 7.598 0.01 . . . . . A 83 VAL H . 18870 1 844 . 1 1 83 83 VAL HA H 1 2.663 0.01 . . . . . A 83 VAL HA . 18870 1 845 . 1 1 83 83 VAL HB H 1 1.358 0.01 . . . . . A 83 VAL HB . 18870 1 846 . 1 1 83 83 VAL HG11 H 1 0.266 0.01 . . . . . A 83 VAL HG11 . 18870 1 847 . 1 1 83 83 VAL HG12 H 1 0.266 0.01 . . . . . A 83 VAL HG12 . 18870 1 848 . 1 1 83 83 VAL HG13 H 1 0.266 0.01 . . . . . A 83 VAL HG13 . 18870 1 849 . 1 1 83 83 VAL HG21 H 1 0.22 0.01 . . . . . A 83 VAL HG21 . 18870 1 850 . 1 1 83 83 VAL HG22 H 1 0.22 0.01 . . . . . A 83 VAL HG22 . 18870 1 851 . 1 1 83 83 VAL HG23 H 1 0.22 0.01 . . . . . A 83 VAL HG23 . 18870 1 852 . 1 1 83 83 VAL C C 13 176.42 0.01 . . . . . A 83 VAL C . 18870 1 853 . 1 1 83 83 VAL CA C 13 65.57 0.01 . . . . . A 83 VAL CA . 18870 1 854 . 1 1 83 83 VAL CB C 13 31.36 0.01 . . . . . A 83 VAL CB . 18870 1 855 . 1 1 83 83 VAL CG1 C 13 21.912 0.01 . . . . . A 83 VAL CG1 . 18870 1 856 . 1 1 83 83 VAL CG2 C 13 21.523 0.01 . . . . . A 83 VAL CG2 . 18870 1 857 . 1 1 83 83 VAL N N 15 114.749 0.01 . . . . . A 83 VAL N . 18870 1 858 . 1 1 84 84 THR H H 1 6.605 0.01 . . . . . A 84 THR H . 18870 1 859 . 1 1 84 84 THR HA H 1 3.992 0.01 . . . . . A 84 THR HA . 18870 1 860 . 1 1 84 84 THR HB H 1 4.144 0.01 . . . . . A 84 THR HB . 18870 1 861 . 1 1 84 84 THR HG21 H 1 1.007 0.01 . . . . . A 84 THR HG21 . 18870 1 862 . 1 1 84 84 THR HG22 H 1 1.007 0.01 . . . . . A 84 THR HG22 . 18870 1 863 . 1 1 84 84 THR HG23 H 1 1.007 0.01 . . . . . A 84 THR HG23 . 18870 1 864 . 1 1 84 84 THR C C 13 175.046 0.01 . . . . . A 84 THR C . 18870 1 865 . 1 1 84 84 THR CA C 13 62.5 0.01 . . . . . A 84 THR CA . 18870 1 866 . 1 1 84 84 THR CB C 13 69.36 0.01 . . . . . A 84 THR CB . 18870 1 867 . 1 1 84 84 THR CG2 C 13 22.342 0.01 . . . . . A 84 THR CG2 . 18870 1 868 . 1 1 84 84 THR N N 15 105.375 0.01 . . . . . A 84 THR N . 18870 1 869 . 1 1 85 85 SER H H 1 7.266 0.01 . . . . . A 85 SER H . 18870 1 870 . 1 1 85 85 SER HA H 1 4.357 0.01 . . . . . A 85 SER HA . 18870 1 871 . 1 1 85 85 SER HB2 H 1 3.746 0.01 . . . . . A 85 SER HB2 . 18870 1 872 . 1 1 85 85 SER HB3 H 1 3.823 0.01 . . . . . A 85 SER HB3 . 18870 1 873 . 1 1 85 85 SER C C 13 173.634 0.01 . . . . . A 85 SER C . 18870 1 874 . 1 1 85 85 SER CA C 13 58.96 0.01 . . . . . A 85 SER CA . 18870 1 875 . 1 1 85 85 SER CB C 13 65.82 0.01 . . . . . A 85 SER CB . 18870 1 876 . 1 1 85 85 SER N N 15 115.125 0.01 . . . . . A 85 SER N . 18870 1 877 . 1 1 86 86 CYS H H 1 7.431 0.01 . . . . . A 86 CYS H . 18870 1 878 . 1 1 86 86 CYS HA H 1 3.971 0.01 . . . . . A 86 CYS HA . 18870 1 879 . 1 1 86 86 CYS HB2 H 1 1.804 0.01 . . . . . A 86 CYS HB2 . 18870 1 880 . 1 1 86 86 CYS HB3 H 1 1.418 0.01 . . . . . A 86 CYS HB3 . 18870 1 881 . 1 1 86 86 CYS C C 13 174.204 0.01 . . . . . A 86 CYS C . 18870 1 882 . 1 1 86 86 CYS CA C 13 60.17 0.01 . . . . . A 86 CYS CA . 18870 1 883 . 1 1 86 86 CYS CB C 13 26.89 0.01 . . . . . A 86 CYS CB . 18870 1 884 . 1 1 86 86 CYS N N 15 120.627 0.01 . . . . . A 86 CYS N . 18870 1 885 . 1 1 87 87 LYS H H 1 9.219 0.01 . . . . . A 87 LYS H . 18870 1 886 . 1 1 87 87 LYS HA H 1 4.388 0.01 . . . . . A 87 LYS HA . 18870 1 887 . 1 1 87 87 LYS HB2 H 1 1.533 0.01 . . . . . A 87 LYS HB2 . 18870 1 888 . 1 1 87 87 LYS HB3 H 1 1.279 0.01 . . . . . A 87 LYS HB3 . 18870 1 889 . 1 1 87 87 LYS HG2 H 1 1.146 0.01 . . . . . A 87 LYS HG2 . 18870 1 890 . 1 1 87 87 LYS HG3 H 1 1.145 0.01 . . . . . A 87 LYS HG3 . 18870 1 891 . 1 1 87 87 LYS HD2 H 1 1.533 0.01 . . . . . A 87 LYS HD2 . 18870 1 892 . 1 1 87 87 LYS HD3 H 1 1.279 0.01 . . . . . A 87 LYS HD3 . 18870 1 893 . 1 1 87 87 LYS HE2 H 1 2.741 0.01 . . . . . A 87 LYS HE2 . 18870 1 894 . 1 1 87 87 LYS HE3 H 1 2.741 0.01 . . . . . A 87 LYS HE3 . 18870 1 895 . 1 1 87 87 LYS C C 13 176.304 0.01 . . . . . A 87 LYS C . 18870 1 896 . 1 1 87 87 LYS CA C 13 56.04 0.01 . . . . . A 87 LYS CA . 18870 1 897 . 1 1 87 87 LYS CB C 13 34.23 0.01 . . . . . A 87 LYS CB . 18870 1 898 . 1 1 87 87 LYS CG C 13 24.389 0.01 . . . . . A 87 LYS CG . 18870 1 899 . 1 1 87 87 LYS CD C 13 34.23 0.01 . . . . . A 87 LYS CD . 18870 1 900 . 1 1 87 87 LYS CE C 13 43.499 0.01 . . . . . A 87 LYS CE . 18870 1 901 . 1 1 87 87 LYS N N 15 126.351 0.01 . . . . . A 87 LYS N . 18870 1 902 . 1 1 88 88 ARG H H 1 7.431 0.01 . . . . . A 88 ARG H . 18870 1 903 . 1 1 88 88 ARG HA H 1 4.463 0.01 . . . . . A 88 ARG HA . 18870 1 904 . 1 1 88 88 ARG HB2 H 1 1.837 0.01 . . . . . A 88 ARG HB2 . 18870 1 905 . 1 1 88 88 ARG HB3 H 1 1.836 0.01 . . . . . A 88 ARG HB3 . 18870 1 906 . 1 1 88 88 ARG HG2 H 1 1.538 0.01 . . . . . A 88 ARG HG2 . 18870 1 907 . 1 1 88 88 ARG HG3 H 1 1.537 0.01 . . . . . A 88 ARG HG3 . 18870 1 908 . 1 1 88 88 ARG HD2 H 1 3.264 0.01 . . . . . A 88 ARG HD2 . 18870 1 909 . 1 1 88 88 ARG HD3 H 1 3.123 0.01 . . . . . A 88 ARG HD3 . 18870 1 910 . 1 1 88 88 ARG HE H 1 7.323 0.01 . . . . . A 88 ARG HE . 18870 1 911 . 1 1 88 88 ARG C C 13 173.271 0.01 . . . . . A 88 ARG C . 18870 1 912 . 1 1 88 88 ARG CA C 13 56.52 0.01 . . . . . A 88 ARG CA . 18870 1 913 . 1 1 88 88 ARG CB C 13 33.65 0.01 . . . . . A 88 ARG CB . 18870 1 914 . 1 1 88 88 ARG CG C 13 27.493 0.01 . . . . . A 88 ARG CG . 18870 1 915 . 1 1 88 88 ARG CD C 13 43.895 0.01 . . . . . A 88 ARG CD . 18870 1 916 . 1 1 88 88 ARG N N 15 116.76 0.01 . . . . . A 88 ARG N . 18870 1 917 . 1 1 88 88 ARG NE N 15 84.133 0.01 . . . . . A 88 ARG NE . 18870 1 918 . 1 1 89 89 LEU H H 1 8.842 0.01 . . . . . A 89 LEU H . 18870 1 919 . 1 1 89 89 LEU HA H 1 5.474 0.01 . . . . . A 89 LEU HA . 18870 1 920 . 1 1 89 89 LEU HB2 H 1 1.741 0.01 . . . . . A 89 LEU HB2 . 18870 1 921 . 1 1 89 89 LEU HB3 H 1 1.471 0.01 . . . . . A 89 LEU HB3 . 18870 1 922 . 1 1 89 89 LEU HG H 1 1.624 0.01 . . . . . A 89 LEU HG . 18870 1 923 . 1 1 89 89 LEU HD11 H 1 1.006 0.01 . . . . . A 89 LEU HD11 . 18870 1 924 . 1 1 89 89 LEU HD12 H 1 1.006 0.01 . . . . . A 89 LEU HD12 . 18870 1 925 . 1 1 89 89 LEU HD13 H 1 1.006 0.01 . . . . . A 89 LEU HD13 . 18870 1 926 . 1 1 89 89 LEU HD21 H 1 0.842 0.01 . . . . . A 89 LEU HD21 . 18870 1 927 . 1 1 89 89 LEU HD22 H 1 0.842 0.01 . . . . . A 89 LEU HD22 . 18870 1 928 . 1 1 89 89 LEU HD23 H 1 0.842 0.01 . . . . . A 89 LEU HD23 . 18870 1 929 . 1 1 89 89 LEU C C 13 175.719 0.01 . . . . . A 89 LEU C . 18870 1 930 . 1 1 89 89 LEU CA C 13 55.24 0.01 . . . . . A 89 LEU CA . 18870 1 931 . 1 1 89 89 LEU CB C 13 47.88 0.01 . . . . . A 89 LEU CB . 18870 1 932 . 1 1 89 89 LEU CG C 13 28.744 0.01 . . . . . A 89 LEU CG . 18870 1 933 . 1 1 89 89 LEU CD1 C 13 26.559 0.01 . . . . . A 89 LEU CD1 . 18870 1 934 . 1 1 89 89 LEU CD2 C 13 27.801 0.01 . . . . . A 89 LEU CD2 . 18870 1 935 . 1 1 89 89 LEU N N 15 122.992 0.01 . . . . . A 89 LEU N . 18870 1 936 . 1 1 90 90 ARG H H 1 9.211 0.01 . . . . . A 90 ARG H . 18870 1 937 . 1 1 90 90 ARG HA H 1 5.186 0.01 . . . . . A 90 ARG HA . 18870 1 938 . 1 1 90 90 ARG HB2 H 1 1.528 0.01 . . . . . A 90 ARG HB2 . 18870 1 939 . 1 1 90 90 ARG HB3 H 1 1.527 0.01 . . . . . A 90 ARG HB3 . 18870 1 940 . 1 1 90 90 ARG HG2 H 1 1.289 0.01 . . . . . A 90 ARG HG2 . 18870 1 941 . 1 1 90 90 ARG HG3 H 1 1.222 0.01 . . . . . A 90 ARG HG3 . 18870 1 942 . 1 1 90 90 ARG HD2 H 1 2.472 0.01 . . . . . A 90 ARG HD2 . 18870 1 943 . 1 1 90 90 ARG HD3 H 1 2.471 0.01 . . . . . A 90 ARG HD3 . 18870 1 944 . 1 1 90 90 ARG C C 13 175.355 0.01 . . . . . A 90 ARG C . 18870 1 945 . 1 1 90 90 ARG CA C 13 55.47 0.01 . . . . . A 90 ARG CA . 18870 1 946 . 1 1 90 90 ARG CB C 13 35.42 0.01 . . . . . A 90 ARG CB . 18870 1 947 . 1 1 90 90 ARG CG C 13 29.838 0.01 . . . . . A 90 ARG CG . 18870 1 948 . 1 1 90 90 ARG CD C 13 41.967 0.01 . . . . . A 90 ARG CD . 18870 1 949 . 1 1 90 90 ARG N N 15 123.476 0.01 . . . . . A 90 ARG N . 18870 1 950 . 1 1 91 91 ILE H H 1 9.184 0.01 . . . . . A 91 ILE H . 18870 1 951 . 1 1 91 91 ILE HA H 1 4.199 0.01 . . . . . A 91 ILE HA . 18870 1 952 . 1 1 91 91 ILE HB H 1 1.459 0.01 . . . . . A 91 ILE HB . 18870 1 953 . 1 1 91 91 ILE HG13 H 1 0.524 0.01 . . . . . A 91 ILE HG13 . 18870 1 954 . 1 1 91 91 ILE HG21 H 1 0.439 0.01 . . . . . A 91 ILE HG21 . 18870 1 955 . 1 1 91 91 ILE HG22 H 1 0.439 0.01 . . . . . A 91 ILE HG22 . 18870 1 956 . 1 1 91 91 ILE HG23 H 1 0.439 0.01 . . . . . A 91 ILE HG23 . 18870 1 957 . 1 1 91 91 ILE HD11 H 1 0.252 0.01 . . . . . A 91 ILE HD11 . 18870 1 958 . 1 1 91 91 ILE HD12 H 1 0.252 0.01 . . . . . A 91 ILE HD12 . 18870 1 959 . 1 1 91 91 ILE HD13 H 1 0.252 0.01 . . . . . A 91 ILE HD13 . 18870 1 960 . 1 1 91 91 ILE CA C 13 61.22 0.01 . . . . . A 91 ILE CA . 18870 1 961 . 1 1 91 91 ILE CB C 13 36.86 0.01 . . . . . A 91 ILE CB . 18870 1 962 . 1 1 91 91 ILE CG1 C 13 27.622 0.01 . . . . . A 91 ILE CG1 . 18870 1 963 . 1 1 91 91 ILE CG2 C 13 19.009 0.01 . . . . . A 91 ILE CG2 . 18870 1 964 . 1 1 91 91 ILE CD1 C 13 13.514 0.01 . . . . . A 91 ILE CD1 . 18870 1 965 . 1 1 91 91 ILE N N 15 130.458 0.01 . . . . . A 91 ILE N . 18870 1 966 . 1 1 92 92 MET H H 1 8.292 0.01 . . . . . A 92 MET H . 18870 1 967 . 1 1 92 92 MET HA H 1 4.533 0.01 . . . . . A 92 MET HA . 18870 1 968 . 1 1 92 92 MET HB2 H 1 1.853 0.01 . . . . . A 92 MET HB2 . 18870 1 969 . 1 1 92 92 MET HB3 H 1 1.713 0.01 . . . . . A 92 MET HB3 . 18870 1 970 . 1 1 92 92 MET HG2 H 1 2.217 0.01 . . . . . A 92 MET HG2 . 18870 1 971 . 1 1 92 92 MET HG3 H 1 1.884 0.01 . . . . . A 92 MET HG3 . 18870 1 972 . 1 1 92 92 MET HE1 H 1 1.609 0.01 . . . . . A 92 MET HE1 . 18870 1 973 . 1 1 92 92 MET HE2 H 1 1.609 0.01 . . . . . A 92 MET HE2 . 18870 1 974 . 1 1 92 92 MET HE3 H 1 1.609 0.01 . . . . . A 92 MET HE3 . 18870 1 975 . 1 1 92 92 MET C C 13 175.662 0.01 . . . . . A 92 MET C . 18870 1 976 . 1 1 92 92 MET CA C 13 54.35 0.01 . . . . . A 92 MET CA . 18870 1 977 . 1 1 92 92 MET CB C 13 36.07 0.01 . . . . . A 92 MET CB . 18870 1 978 . 1 1 92 92 MET CG C 13 31.878 0.01 . . . . . A 92 MET CG . 18870 1 979 . 1 1 92 92 MET CE C 13 16.701 0.01 . . . . . A 92 MET CE . 18870 1 980 . 1 1 92 92 MET N N 15 126.564 0.01 . . . . . A 92 MET N . 18870 1 981 . 1 1 93 93 LYS H H 1 8.687 0.01 . . . . . A 93 LYS H . 18870 1 982 . 1 1 93 93 LYS HA H 1 4.15 0.01 . . . . . A 93 LYS HA . 18870 1 983 . 1 1 93 93 LYS HB2 H 1 1.693 0.01 . . . . . A 93 LYS HB2 . 18870 1 984 . 1 1 93 93 LYS HB3 H 1 1.498 0.01 . . . . . A 93 LYS HB3 . 18870 1 985 . 1 1 93 93 LYS HG2 H 1 1.183 0.01 . . . . . A 93 LYS HG2 . 18870 1 986 . 1 1 93 93 LYS HG3 H 1 1.182 0.01 . . . . . A 93 LYS HG3 . 18870 1 987 . 1 1 93 93 LYS HD2 H 1 1.439 0.01 . . . . . A 93 LYS HD2 . 18870 1 988 . 1 1 93 93 LYS HD3 H 1 1.438 0.01 . . . . . A 93 LYS HD3 . 18870 1 989 . 1 1 93 93 LYS HE2 H 1 2.786 0.01 . . . . . A 93 LYS HE2 . 18870 1 990 . 1 1 93 93 LYS HE3 H 1 2.786 0.01 . . . . . A 93 LYS HE3 . 18870 1 991 . 1 1 93 93 LYS C C 13 177.854 0.01 . . . . . A 93 LYS C . 18870 1 992 . 1 1 93 93 LYS CA C 13 57.13 0.01 . . . . . A 93 LYS CA . 18870 1 993 . 1 1 93 93 LYS CB C 13 33.26 0.01 . . . . . A 93 LYS CB . 18870 1 994 . 1 1 93 93 LYS CG C 13 25.838 0.01 . . . . . A 93 LYS CG . 18870 1 995 . 1 1 93 93 LYS CD C 13 29.592 0.01 . . . . . A 93 LYS CD . 18870 1 996 . 1 1 93 93 LYS CE C 13 42.356 0.01 . . . . . A 93 LYS CE . 18870 1 997 . 1 1 93 93 LYS N N 15 123.239 0.01 . . . . . A 93 LYS N . 18870 1 998 . 1 1 94 94 GLY H H 1 8.391 0.01 . . . . . A 94 GLY H . 18870 1 999 . 1 1 94 94 GLY HA2 H 1 3.56 0.01 . . . . . A 94 GLY HA2 . 18870 1 1000 . 1 1 94 94 GLY HA3 H 1 3.773 0.01 . . . . . A 94 GLY HA3 . 18870 1 1001 . 1 1 94 94 GLY C C 13 175.089 0.01 . . . . . A 94 GLY C . 18870 1 1002 . 1 1 94 94 GLY CA C 13 46.75 0.01 . . . . . A 94 GLY CA . 18870 1 1003 . 1 1 94 94 GLY N N 15 113.128 0.01 . . . . . A 94 GLY N . 18870 1 1004 . 1 1 95 95 THR H H 1 7.876 0.01 . . . . . A 95 THR H . 18870 1 1005 . 1 1 95 95 THR HA H 1 3.991 0.01 . . . . . A 95 THR HA . 18870 1 1006 . 1 1 95 95 THR HB H 1 4.053 0.01 . . . . . A 95 THR HB . 18870 1 1007 . 1 1 95 95 THR HG21 H 1 1.054 0.01 . . . . . A 95 THR HG21 . 18870 1 1008 . 1 1 95 95 THR HG22 H 1 1.054 0.01 . . . . . A 95 THR HG22 . 18870 1 1009 . 1 1 95 95 THR HG23 H 1 1.054 0.01 . . . . . A 95 THR HG23 . 18870 1 1010 . 1 1 95 95 THR C C 13 175.576 0.01 . . . . . A 95 THR C . 18870 1 1011 . 1 1 95 95 THR CA C 13 63.55 0.01 . . . . . A 95 THR CA . 18870 1 1012 . 1 1 95 95 THR CB C 13 69.14 0.01 . . . . . A 95 THR CB . 18870 1 1013 . 1 1 95 95 THR CG2 C 13 22.385 0.01 . . . . . A 95 THR CG2 . 18870 1 1014 . 1 1 95 95 THR N N 15 111.87 0.01 . . . . . A 95 THR N . 18870 1 1015 . 1 1 96 96 GLU H H 1 7.65 0.01 . . . . . A 96 GLU H . 18870 1 1016 . 1 1 96 96 GLU HA H 1 4.157 0.01 . . . . . A 96 GLU HA . 18870 1 1017 . 1 1 96 96 GLU HB2 H 1 1.879 0.01 . . . . . A 96 GLU HB2 . 18870 1 1018 . 1 1 96 96 GLU HB3 H 1 1.528 0.01 . . . . . A 96 GLU HB3 . 18870 1 1019 . 1 1 96 96 GLU C C 13 176.443 0.01 . . . . . A 96 GLU C . 18870 1 1020 . 1 1 96 96 GLU CA C 13 56.71 0.01 . . . . . A 96 GLU CA . 18870 1 1021 . 1 1 96 96 GLU CB C 13 29.29 0.01 . . . . . A 96 GLU CB . 18870 1 1022 . 1 1 96 96 GLU N N 15 121.073 0.01 . . . . . A 96 GLU N . 18870 1 1023 . 1 1 97 97 ALA H H 1 7.821 0.01 . . . . . A 97 ALA H . 18870 1 1024 . 1 1 97 97 ALA HA H 1 4.088 0.01 . . . . . A 97 ALA HA . 18870 1 1025 . 1 1 97 97 ALA HB1 H 1 1.171 0.01 . . . . . A 97 ALA HB1 . 18870 1 1026 . 1 1 97 97 ALA HB2 H 1 1.171 0.01 . . . . . A 97 ALA HB2 . 18870 1 1027 . 1 1 97 97 ALA HB3 H 1 1.171 0.01 . . . . . A 97 ALA HB3 . 18870 1 1028 . 1 1 97 97 ALA C C 13 177.768 0.01 . . . . . A 97 ALA C . 18870 1 1029 . 1 1 97 97 ALA CA C 13 53.06 0.01 . . . . . A 97 ALA CA . 18870 1 1030 . 1 1 97 97 ALA CB C 13 19.03 0.01 . . . . . A 97 ALA CB . 18870 1 1031 . 1 1 97 97 ALA N N 15 123.261 0.01 . . . . . A 97 ALA N . 18870 1 1032 . 1 1 98 98 LYS H H 1 7.734 0.01 . . . . . A 98 LYS H . 18870 1 1033 . 1 1 98 98 LYS HA H 1 4.045 0.01 . . . . . A 98 LYS HA . 18870 1 1034 . 1 1 98 98 LYS HB2 H 1 1.668 0.01 . . . . . A 98 LYS HB2 . 18870 1 1035 . 1 1 98 98 LYS HB3 H 1 1.667 0.01 . . . . . A 98 LYS HB3 . 18870 1 1036 . 1 1 98 98 LYS HG2 H 1 1.303 0.01 . . . . . A 98 LYS HG2 . 18870 1 1037 . 1 1 98 98 LYS HG3 H 1 1.274 0.01 . . . . . A 98 LYS HG3 . 18870 1 1038 . 1 1 98 98 LYS HD2 H 1 1.527 0.01 . . . . . A 98 LYS HD2 . 18870 1 1039 . 1 1 98 98 LYS HD3 H 1 1.526 0.01 . . . . . A 98 LYS HD3 . 18870 1 1040 . 1 1 98 98 LYS HE2 H 1 2.837 0.01 . . . . . A 98 LYS HE2 . 18870 1 1041 . 1 1 98 98 LYS HE3 H 1 2.837 0.01 . . . . . A 98 LYS HE3 . 18870 1 1042 . 1 1 98 98 LYS C C 13 177.403 0.01 . . . . . A 98 LYS C . 18870 1 1043 . 1 1 98 98 LYS CA C 13 57.76 0.01 . . . . . A 98 LYS CA . 18870 1 1044 . 1 1 98 98 LYS CB C 13 33.15 0.01 . . . . . A 98 LYS CB . 18870 1 1045 . 1 1 98 98 LYS CG C 13 25.025 0.01 . . . . . A 98 LYS CG . 18870 1 1046 . 1 1 98 98 LYS CD C 13 29.553 0.01 . . . . . A 98 LYS CD . 18870 1 1047 . 1 1 98 98 LYS CE C 13 42.837 0.01 . . . . . A 98 LYS CE . 18870 1 1048 . 1 1 98 98 LYS N N 15 119.237 0.01 . . . . . A 98 LYS N . 18870 1 1049 . 1 1 99 99 GLY H H 1 8.155 0.01 . . . . . A 99 GLY H . 18870 1 1050 . 1 1 99 99 GLY HA2 H 1 3.763 0.01 . . . . . A 99 GLY HA2 . 18870 1 1051 . 1 1 99 99 GLY HA3 H 1 3.866 0.01 . . . . . A 99 GLY HA3 . 18870 1 1052 . 1 1 99 99 GLY C C 13 174.489 0.01 . . . . . A 99 GLY C . 18870 1 1053 . 1 1 99 99 GLY CA C 13 45.77 0.01 . . . . . A 99 GLY CA . 18870 1 1054 . 1 1 99 99 GLY N N 15 108.866 0.01 . . . . . A 99 GLY N . 18870 1 1055 . 1 1 100 100 LEU H H 1 7.724 0.01 . . . . . A 100 LEU H . 18870 1 1056 . 1 1 100 100 LEU HA H 1 4.19 0.01 . . . . . A 100 LEU HA . 18870 1 1057 . 1 1 100 100 LEU HB2 H 1 1.637 0.01 . . . . . A 100 LEU HB2 . 18870 1 1058 . 1 1 100 100 LEU HB3 H 1 1.577 0.01 . . . . . A 100 LEU HB3 . 18870 1 1059 . 1 1 100 100 LEU HG H 1 1.495 0.01 . . . . . A 100 LEU HG . 18870 1 1060 . 1 1 100 100 LEU HD11 H 1 0.674 0.01 . . . . . A 100 LEU HD11 . 18870 1 1061 . 1 1 100 100 LEU HD12 H 1 0.674 0.01 . . . . . A 100 LEU HD12 . 18870 1 1062 . 1 1 100 100 LEU HD13 H 1 0.674 0.01 . . . . . A 100 LEU HD13 . 18870 1 1063 . 1 1 100 100 LEU HD21 H 1 0.7 0.01 . . . . . A 100 LEU HD21 . 18870 1 1064 . 1 1 100 100 LEU HD22 H 1 0.7 0.01 . . . . . A 100 LEU HD22 . 18870 1 1065 . 1 1 100 100 LEU HD23 H 1 0.7 0.01 . . . . . A 100 LEU HD23 . 18870 1 1066 . 1 1 100 100 LEU C C 13 178.026 0.01 . . . . . A 100 LEU C . 18870 1 1067 . 1 1 100 100 LEU CA C 13 55.59 0.01 . . . . . A 100 LEU CA . 18870 1 1068 . 1 1 100 100 LEU CB C 13 42.39 0.01 . . . . . A 100 LEU CB . 18870 1 1069 . 1 1 100 100 LEU CG C 13 27.319 0.01 . . . . . A 100 LEU CG . 18870 1 1070 . 1 1 100 100 LEU CD1 C 13 23.648 0.01 . . . . . A 100 LEU CD1 . 18870 1 1071 . 1 1 100 100 LEU CD2 C 13 25.57 0.01 . . . . . A 100 LEU CD2 . 18870 1 1072 . 1 1 100 100 LEU N N 15 120.75 0.01 . . . . . A 100 LEU N . 18870 1 1073 . 1 1 101 101 GLY H H 1 8.344 0.01 . . . . . A 101 GLY H . 18870 1 1074 . 1 1 101 101 GLY HA2 H 1 3.89 0.01 . . . . . A 101 GLY HA2 . 18870 1 1075 . 1 1 101 101 GLY HA3 H 1 3.891 0.01 . . . . . A 101 GLY HA3 . 18870 1 1076 . 1 1 101 101 GLY C C 13 174.239 0.01 . . . . . A 101 GLY C . 18870 1 1077 . 1 1 101 101 GLY CA C 13 45.8 0.01 . . . . . A 101 GLY CA . 18870 1 1078 . 1 1 101 101 GLY N N 15 108.889 0.01 . . . . . A 101 GLY N . 18870 1 1079 . 1 1 102 102 CYS H H 1 8.117 0.01 . . . . . A 102 CYS H . 18870 1 1080 . 1 1 102 102 CYS HA H 1 4.428 0.01 . . . . . A 102 CYS HA . 18870 1 1081 . 1 1 102 102 CYS HB2 H 1 2.788 0.01 . . . . . A 102 CYS HB2 . 18870 1 1082 . 1 1 102 102 CYS HB3 H 1 2.787 0.01 . . . . . A 102 CYS HB3 . 18870 1 1083 . 1 1 102 102 CYS C C 13 175.049 0.01 . . . . . A 102 CYS C . 18870 1 1084 . 1 1 102 102 CYS CA C 13 58.97 0.01 . . . . . A 102 CYS CA . 18870 1 1085 . 1 1 102 102 CYS CB C 13 28.5 0.01 . . . . . A 102 CYS CB . 18870 1 1086 . 1 1 102 102 CYS N N 15 117.967 0.01 . . . . . A 102 CYS N . 18870 1 1087 . 1 1 103 103 GLY H H 1 8.446 0.01 . . . . . A 103 GLY H . 18870 1 1088 . 1 1 103 103 GLY HA2 H 1 3.886 0.01 . . . . . A 103 GLY HA2 . 18870 1 1089 . 1 1 103 103 GLY HA3 H 1 3.887 0.01 . . . . . A 103 GLY HA3 . 18870 1 1090 . 1 1 103 103 GLY C C 13 174.261 0.01 . . . . . A 103 GLY C . 18870 1 1091 . 1 1 103 103 GLY CA C 13 45.71 0.01 . . . . . A 103 GLY CA . 18870 1 1092 . 1 1 103 103 GLY N N 15 111.119 0.01 . . . . . A 103 GLY N . 18870 1 1093 . 1 1 104 104 VAL H H 1 7.977 0.01 . . . . . A 104 VAL H . 18870 1 1094 . 1 1 104 104 VAL HA H 1 3.975 0.01 . . . . . A 104 VAL HA . 18870 1 1095 . 1 1 104 104 VAL HB H 1 1.955 0.01 . . . . . A 104 VAL HB . 18870 1 1096 . 1 1 104 104 VAL HG11 H 1 0.783 0.01 . . . . . A 104 VAL HG11 . 18870 1 1097 . 1 1 104 104 VAL HG12 H 1 0.783 0.01 . . . . . A 104 VAL HG12 . 18870 1 1098 . 1 1 104 104 VAL HG13 H 1 0.783 0.01 . . . . . A 104 VAL HG13 . 18870 1 1099 . 1 1 104 104 VAL HG21 H 1 0.783 0.01 . . . . . A 104 VAL HG21 . 18870 1 1100 . 1 1 104 104 VAL HG22 H 1 0.783 0.01 . . . . . A 104 VAL HG22 . 18870 1 1101 . 1 1 104 104 VAL HG23 H 1 0.783 0.01 . . . . . A 104 VAL HG23 . 18870 1 1102 . 1 1 104 104 VAL C C 13 176.919 0.01 . . . . . A 104 VAL C . 18870 1 1103 . 1 1 104 104 VAL CA C 13 62.97 0.01 . . . . . A 104 VAL CA . 18870 1 1104 . 1 1 104 104 VAL CB C 13 32.77 0.01 . . . . . A 104 VAL CB . 18870 1 1105 . 1 1 104 104 VAL CG1 C 13 21.446 0.01 . . . . . A 104 VAL CG1 . 18870 1 1106 . 1 1 104 104 VAL CG2 C 13 20.652 0.01 . . . . . A 104 VAL CG2 . 18870 1 1107 . 1 1 104 104 VAL N N 15 119.247 0.01 . . . . . A 104 VAL N . 18870 1 1108 . 1 1 105 105 GLY H H 1 8.468 0.01 . . . . . A 105 GLY H . 18870 1 1109 . 1 1 105 105 GLY HA2 H 1 3.854 0.01 . . . . . A 105 GLY HA2 . 18870 1 1110 . 1 1 105 105 GLY HA3 H 1 3.965 0.01 . . . . . A 105 GLY HA3 . 18870 1 1111 . 1 1 105 105 GLY C C 13 173.942 0.01 . . . . . A 105 GLY C . 18870 1 1112 . 1 1 105 105 GLY CA C 13 45.57 0.01 . . . . . A 105 GLY CA . 18870 1 1113 . 1 1 105 105 GLY N N 15 112.295 0.01 . . . . . A 105 GLY N . 18870 1 1114 . 1 1 106 106 SER H H 1 7.861 0.01 . . . . . A 106 SER H . 18870 1 1115 . 1 1 106 106 SER HA H 1 4.474 0.01 . . . . . A 106 SER HA . 18870 1 1116 . 1 1 106 106 SER HB2 H 1 3.868 0.01 . . . . . A 106 SER HB2 . 18870 1 1117 . 1 1 106 106 SER HB3 H 1 4.008 0.01 . . . . . A 106 SER HB3 . 18870 1 1118 . 1 1 106 106 SER CA C 13 57.73 0.01 . . . . . A 106 SER CA . 18870 1 1119 . 1 1 106 106 SER CB C 13 65.1 0.01 . . . . . A 106 SER CB . 18870 1 1120 . 1 1 106 106 SER N N 15 114.624 0.01 . . . . . A 106 SER N . 18870 1 1121 . 1 1 107 107 HIS H H 1 8.925 0.01 . . . . . A 107 HIS H . 18870 1 1122 . 1 1 107 107 HIS HA H 1 3.921 0.01 . . . . . A 107 HIS HA . 18870 1 1123 . 1 1 107 107 HIS HB2 H 1 1.918 0.01 . . . . . A 107 HIS HB2 . 18870 1 1124 . 1 1 107 107 HIS HB3 H 1 1.800 0.01 . . . . . A 107 HIS HB3 . 18870 1 1125 . 1 1 107 107 HIS HD2 H 1 7.725 0.01 . . . . . A 107 HIS HD2 . 18870 1 1126 . 1 1 107 107 HIS HE1 H 1 6.828 0.01 . . . . . A 107 HIS HE1 . 18870 1 1127 . 1 1 107 107 HIS CA C 13 58.154 0.01 . . . . . A 107 HIS CA . 18870 1 1128 . 1 1 107 107 HIS N N 15 126.528 0.01 . . . . . A 107 HIS N . 18870 1 stop_ save_