data_18484 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18484 _Entry.Title ; Conformational analysis of StrH, the surface-attached exo- -D-N-acetylglucosaminidase from Streptococcus pneumoniae. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-28 _Entry.Accession_date 2012-05-28 _Entry.Last_release_date . _Entry.Original_release_date . _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 . _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 Benjamin Pluvinage . . . 18484 2 Seth Chitayat . . . 18484 3 Elizabeth Ficko-Blean . . . 18484 4 'D. Wade' Abbott . . . 18484 5 'Jobby Maroor' Kunjachen . . . 18484 6 Julie Grondin . . . 18484 7 Holly Spencer . . . 18484 8 Steven Smith . . . 18484 9 Alisdair Boraston . . . 18484 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' . 18484 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID b-sheet . 18484 elongated . 18484 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18484 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 18484 '15N chemical shifts' 101 18484 '1H chemical shifts' 679 18484 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-07 2012-05-28 update BMRB 'update entry citation' 18484 1 . . 2012-11-27 2012-05-28 original author 'original release' 18484 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LTJ 'BMRB Entry Tracking System' 18484 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 18484 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23154168 _Citation.Full_citation . _Citation.Title 'Conformational Analysis of StrH, the Surface-Attached exo--d-N-Acetylglucosaminidase from Streptococcus pneumoniae.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 334 _Citation.Page_last 349 _Citation.Year 2013 _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 Benjamin Pluvinage . . . 18484 1 2 Seth Chitayat . . . 18484 1 3 Elizabeth Ficko-Blean . . . 18484 1 4 'D. Wade' Abbott . . . 18484 1 5 'Jobby Maroor' Kunjachen . . . 18484 1 6 Julie Grondin . . . 18484 1 7 Holly Spencer . L. . 18484 1 8 Steven Smith . P. . 18484 1 9 Alisdair Boraston . B. . 18484 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18484 _Assembly.ID 1 _Assembly.Name G5 _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 G5 1 $G5 A . yes native no no . . . 18484 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_G5 _Entity.Sf_category entity _Entity.Sf_framecode G5 _Entity.Entry_ID 18484 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MGSSHHHHHSSGLVPRGSHM SLDENEVAANVETRPELITR TEEIPFEVIKKENPNLPAGQ ENIITAGVKGERTHYISVLT ENGKTTETVLDSQVTKEVIN QVVEVGAPVTH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12154.605 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2LTJ . "Conformational Analysis Of Strh, The Surface-attached Exo- Beta-d-n- Acetylglucosaminidase From Streptococcus Pneumoniae" . . . . . 90.99 112 100.00 100.00 1.04e-62 . . . . 18484 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18484 1 2 . GLY . 18484 1 3 . SER . 18484 1 4 . SER . 18484 1 5 . HIS . 18484 1 6 . HIS . 18484 1 7 . HIS . 18484 1 8 . HIS . 18484 1 9 . HIS . 18484 1 10 . SER . 18484 1 11 . SER . 18484 1 12 . GLY . 18484 1 13 . LEU . 18484 1 14 . VAL . 18484 1 15 . PRO . 18484 1 16 . ARG . 18484 1 17 . GLY . 18484 1 18 . SER . 18484 1 19 . HIS . 18484 1 20 . MET . 18484 1 21 . SER . 18484 1 22 . LEU . 18484 1 23 . ASP . 18484 1 24 . GLU . 18484 1 25 . ASN . 18484 1 26 . GLU . 18484 1 27 . VAL . 18484 1 28 . ALA . 18484 1 29 . ALA . 18484 1 30 . ASN . 18484 1 31 . VAL . 18484 1 32 . GLU . 18484 1 33 . THR . 18484 1 34 . ARG . 18484 1 35 . PRO . 18484 1 36 . GLU . 18484 1 37 . LEU . 18484 1 38 . ILE . 18484 1 39 . THR . 18484 1 40 . ARG . 18484 1 41 . THR . 18484 1 42 . GLU . 18484 1 43 . GLU . 18484 1 44 . ILE . 18484 1 45 . PRO . 18484 1 46 . PHE . 18484 1 47 . GLU . 18484 1 48 . VAL . 18484 1 49 . ILE . 18484 1 50 . LYS . 18484 1 51 . LYS . 18484 1 52 . GLU . 18484 1 53 . ASN . 18484 1 54 . PRO . 18484 1 55 . ASN . 18484 1 56 . LEU . 18484 1 57 . PRO . 18484 1 58 . ALA . 18484 1 59 . GLY . 18484 1 60 . GLN . 18484 1 61 . GLU . 18484 1 62 . ASN . 18484 1 63 . ILE . 18484 1 64 . ILE . 18484 1 65 . THR . 18484 1 66 . ALA . 18484 1 67 . GLY . 18484 1 68 . VAL . 18484 1 69 . LYS . 18484 1 70 . GLY . 18484 1 71 . GLU . 18484 1 72 . ARG . 18484 1 73 . THR . 18484 1 74 . HIS . 18484 1 75 . TYR . 18484 1 76 . ILE . 18484 1 77 . SER . 18484 1 78 . VAL . 18484 1 79 . LEU . 18484 1 80 . THR . 18484 1 81 . GLU . 18484 1 82 . ASN . 18484 1 83 . GLY . 18484 1 84 . LYS . 18484 1 85 . THR . 18484 1 86 . THR . 18484 1 87 . GLU . 18484 1 88 . THR . 18484 1 89 . VAL . 18484 1 90 . LEU . 18484 1 91 . ASP . 18484 1 92 . SER . 18484 1 93 . GLN . 18484 1 94 . VAL . 18484 1 95 . THR . 18484 1 96 . LYS . 18484 1 97 . GLU . 18484 1 98 . VAL . 18484 1 99 . ILE . 18484 1 100 . ASN . 18484 1 101 . GLN . 18484 1 102 . VAL . 18484 1 103 . VAL . 18484 1 104 . GLU . 18484 1 105 . VAL . 18484 1 106 . GLY . 18484 1 107 . ALA . 18484 1 108 . PRO . 18484 1 109 . VAL . 18484 1 110 . THR . 18484 1 111 . HIS . 18484 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18484 1 . GLY 2 2 18484 1 . SER 3 3 18484 1 . SER 4 4 18484 1 . HIS 5 5 18484 1 . HIS 6 6 18484 1 . HIS 7 7 18484 1 . HIS 8 8 18484 1 . HIS 9 9 18484 1 . SER 10 10 18484 1 . SER 11 11 18484 1 . GLY 12 12 18484 1 . LEU 13 13 18484 1 . VAL 14 14 18484 1 . PRO 15 15 18484 1 . ARG 16 16 18484 1 . GLY 17 17 18484 1 . SER 18 18 18484 1 . HIS 19 19 18484 1 . MET 20 20 18484 1 . SER 21 21 18484 1 . LEU 22 22 18484 1 . ASP 23 23 18484 1 . GLU 24 24 18484 1 . ASN 25 25 18484 1 . GLU 26 26 18484 1 . VAL 27 27 18484 1 . ALA 28 28 18484 1 . ALA 29 29 18484 1 . ASN 30 30 18484 1 . VAL 31 31 18484 1 . GLU 32 32 18484 1 . THR 33 33 18484 1 . ARG 34 34 18484 1 . PRO 35 35 18484 1 . GLU 36 36 18484 1 . LEU 37 37 18484 1 . ILE 38 38 18484 1 . THR 39 39 18484 1 . ARG 40 40 18484 1 . THR 41 41 18484 1 . GLU 42 42 18484 1 . GLU 43 43 18484 1 . ILE 44 44 18484 1 . PRO 45 45 18484 1 . PHE 46 46 18484 1 . GLU 47 47 18484 1 . VAL 48 48 18484 1 . ILE 49 49 18484 1 . LYS 50 50 18484 1 . LYS 51 51 18484 1 . GLU 52 52 18484 1 . ASN 53 53 18484 1 . PRO 54 54 18484 1 . ASN 55 55 18484 1 . LEU 56 56 18484 1 . PRO 57 57 18484 1 . ALA 58 58 18484 1 . GLY 59 59 18484 1 . GLN 60 60 18484 1 . GLU 61 61 18484 1 . ASN 62 62 18484 1 . ILE 63 63 18484 1 . ILE 64 64 18484 1 . THR 65 65 18484 1 . ALA 66 66 18484 1 . GLY 67 67 18484 1 . VAL 68 68 18484 1 . LYS 69 69 18484 1 . GLY 70 70 18484 1 . GLU 71 71 18484 1 . ARG 72 72 18484 1 . THR 73 73 18484 1 . HIS 74 74 18484 1 . TYR 75 75 18484 1 . ILE 76 76 18484 1 . SER 77 77 18484 1 . VAL 78 78 18484 1 . LEU 79 79 18484 1 . THR 80 80 18484 1 . GLU 81 81 18484 1 . ASN 82 82 18484 1 . GLY 83 83 18484 1 . LYS 84 84 18484 1 . THR 85 85 18484 1 . THR 86 86 18484 1 . GLU 87 87 18484 1 . THR 88 88 18484 1 . VAL 89 89 18484 1 . LEU 90 90 18484 1 . ASP 91 91 18484 1 . SER 92 92 18484 1 . GLN 93 93 18484 1 . VAL 94 94 18484 1 . THR 95 95 18484 1 . LYS 96 96 18484 1 . GLU 97 97 18484 1 . VAL 98 98 18484 1 . ILE 99 99 18484 1 . ASN 100 100 18484 1 . GLN 101 101 18484 1 . VAL 102 102 18484 1 . VAL 103 103 18484 1 . GLU 104 104 18484 1 . VAL 105 105 18484 1 . GLY 106 106 18484 1 . ALA 107 107 18484 1 . PRO 108 108 18484 1 . VAL 109 109 18484 1 . THR 110 110 18484 1 . HIS 111 111 18484 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 18484 _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 $G5 . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . . . . . . . . . 18484 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 18484 _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 $G5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet-28a . . . . . . 18484 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_G5_sample _Sample.Sf_category sample _Sample.Sf_framecode G5_sample _Sample.Entry_ID 18484 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 G5 '[U-100% 13C; U-100% 15N]' . . 1 $G5 . . 1 . . mM . . . . 18484 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 18484 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 18484 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18484 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18484 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18484 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18484 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 18484 _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' 0.025 . M 18484 1 pH 6.8 . pH 18484 1 pressure 1 . atm 18484 1 temperature 298 . K 18484 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18484 _Software.ID 1 _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' . . 18484 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18484 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18484 _Software.ID 2 _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' . . 18484 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18484 2 'data analysis' 18484 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18484 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18484 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18484 3 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 18484 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18484 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18484 _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 Varian INOVA . 800 . . . 18484 1 2 spectrometer_2 Varian INOVA . 500 . . . 18484 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 18484 _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 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 6 '3D HNCACB' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $G5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18484 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 18484 _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 . . . . . . . . . 18484 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18484 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18484 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 18484 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18484 1 2 '3D CBCA(CO)NH' . . . 18484 1 3 '2D 1H-1H NOESY' . . . 18484 1 4 '2D 1H-1H TOCSY' . . . 18484 1 5 '3D C(CO)NH' . . . 18484 1 6 '3D HNCACB' . . . 18484 1 8 '3D H(CCO)NH' . . . 18484 1 9 '3D HCCH-TOCSY' . . . 18484 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 2 2 GLY H H 1 8.459 0.000 . . . . . A 2 GLY H . 18484 1 2 . 1 1 2 2 GLY N N 15 110.403 0.000 . . . . . A 2 GLY N . 18484 1 3 . 1 1 10 10 SER HA H 1 4.435 0.000 . . . . . A 10 SER HA . 18484 1 4 . 1 1 10 10 SER HB2 H 1 3.877 0.000 . . . . . A 10 SER HB2 . 18484 1 5 . 1 1 10 10 SER HB3 H 1 3.877 0.000 . . . . . A 10 SER HB3 . 18484 1 6 . 1 1 11 11 SER CA C 13 57.649 0.000 . . . . . A 11 SER CA . 18484 1 7 . 1 1 11 11 SER CB C 13 62.672 0.000 . . . . . A 11 SER CB . 18484 1 8 . 1 1 12 12 GLY H H 1 8.365 0.000 . . . . . A 12 GLY H . 18484 1 9 . 1 1 12 12 GLY HA2 H 1 3.935 0.000 . . . . . A 12 GLY HA2 . 18484 1 10 . 1 1 12 12 GLY HA3 H 1 3.935 0.000 . . . . . A 12 GLY HA3 . 18484 1 11 . 1 1 12 12 GLY CA C 13 45.312 0.000 . . . . . A 12 GLY CA . 18484 1 12 . 1 1 12 12 GLY N N 15 110.471 0.000 . . . . . A 12 GLY N . 18484 1 13 . 1 1 13 13 LEU H H 1 8.024 0.000 . . . . . A 13 LEU H . 18484 1 14 . 1 1 13 13 LEU HA H 1 4.327 0.000 . . . . . A 13 LEU HA . 18484 1 15 . 1 1 13 13 LEU HB2 H 1 1.541 0.000 . . . . . A 13 LEU HB2 . 18484 1 16 . 1 1 13 13 LEU HB3 H 1 1.541 0.000 . . . . . A 13 LEU HB3 . 18484 1 17 . 1 1 13 13 LEU HG H 1 1.541 0.000 . . . . . A 13 LEU HG . 18484 1 18 . 1 1 13 13 LEU HD11 H 1 0.830 0.000 . . . . . A 13 LEU HD11 . 18484 1 19 . 1 1 13 13 LEU HD12 H 1 0.830 0.000 . . . . . A 13 LEU HD12 . 18484 1 20 . 1 1 13 13 LEU HD13 H 1 0.830 0.000 . . . . . A 13 LEU HD13 . 18484 1 21 . 1 1 13 13 LEU HD21 H 1 0.830 0.000 . . . . . A 13 LEU HD21 . 18484 1 22 . 1 1 13 13 LEU HD22 H 1 0.830 0.000 . . . . . A 13 LEU HD22 . 18484 1 23 . 1 1 13 13 LEU HD23 H 1 0.830 0.000 . . . . . A 13 LEU HD23 . 18484 1 24 . 1 1 13 13 LEU CA C 13 55.573 0.000 . . . . . A 13 LEU CA . 18484 1 25 . 1 1 13 13 LEU CB C 13 42.428 0.000 . . . . . A 13 LEU CB . 18484 1 26 . 1 1 13 13 LEU CG C 13 30.445 0.000 . . . . . A 13 LEU CG . 18484 1 27 . 1 1 13 13 LEU CD1 C 13 20.181 0.000 . . . . . A 13 LEU CD1 . 18484 1 28 . 1 1 13 13 LEU CD2 C 13 26.864 0.000 . . . . . A 13 LEU CD2 . 18484 1 29 . 1 1 13 13 LEU N N 15 121.432 0.000 . . . . . A 13 LEU N . 18484 1 30 . 1 1 14 14 VAL H H 1 8.062 0.000 . . . . . A 14 VAL H . 18484 1 31 . 1 1 14 14 VAL N N 15 122.309 0.000 . . . . . A 14 VAL N . 18484 1 32 . 1 1 16 16 ARG H H 1 8.465 0.000 . . . . . A 16 ARG H . 18484 1 33 . 1 1 16 16 ARG HA H 1 4.312 0.000 . . . . . A 16 ARG HA . 18484 1 34 . 1 1 16 16 ARG HB2 H 1 1.868 0.000 . . . . . A 16 ARG HB2 . 18484 1 35 . 1 1 16 16 ARG HB3 H 1 2.025 0.000 . . . . . A 16 ARG HB3 . 18484 1 36 . 1 1 16 16 ARG HG2 H 1 1.679 0.000 . . . . . A 16 ARG HG2 . 18484 1 37 . 1 1 16 16 ARG HG3 H 1 1.679 0.000 . . . . . A 16 ARG HG3 . 18484 1 38 . 1 1 16 16 ARG HD2 H 1 3.217 0.000 . . . . . A 16 ARG HD2 . 18484 1 39 . 1 1 16 16 ARG HD3 H 1 3.155 0.000 . . . . . A 16 ARG HD3 . 18484 1 40 . 1 1 16 16 ARG CA C 13 56.102 0.000 . . . . . A 16 ARG CA . 18484 1 41 . 1 1 16 16 ARG CB C 13 30.891 0.000 . . . . . A 16 ARG CB . 18484 1 42 . 1 1 16 16 ARG CG C 13 26.863 0.000 . . . . . A 16 ARG CG . 18484 1 43 . 1 1 16 16 ARG CD C 13 43.173 0.000 . . . . . A 16 ARG CD . 18484 1 44 . 1 1 16 16 ARG N N 15 121.951 0.000 . . . . . A 16 ARG N . 18484 1 45 . 1 1 20 20 MET HA H 1 4.435 0.000 . . . . . A 20 MET HA . 18484 1 46 . 1 1 20 20 MET HB2 H 1 1.927 0.000 . . . . . A 20 MET HB2 . 18484 1 47 . 1 1 20 20 MET HB3 H 1 2.042 0.000 . . . . . A 20 MET HB3 . 18484 1 48 . 1 1 20 20 MET HG2 H 1 2.426 0.000 . . . . . A 20 MET HG2 . 18484 1 49 . 1 1 20 20 MET HG3 H 1 2.426 0.000 . . . . . A 20 MET HG3 . 18484 1 50 . 1 1 20 20 MET HE1 H 1 1.918 0.000 . . . . . A 20 MET HE1 . 18484 1 51 . 1 1 20 20 MET HE2 H 1 1.918 0.000 . . . . . A 20 MET HE2 . 18484 1 52 . 1 1 20 20 MET HE3 H 1 1.918 0.000 . . . . . A 20 MET HE3 . 18484 1 53 . 1 1 20 20 MET CA C 13 55.500 0.000 . . . . . A 20 MET CA . 18484 1 54 . 1 1 20 20 MET CB C 13 32.070 0.000 . . . . . A 20 MET CB . 18484 1 55 . 1 1 21 21 SER H H 1 8.332 0.000 . . . . . A 21 SER H . 18484 1 56 . 1 1 21 21 SER HA H 1 4.435 0.000 . . . . . A 21 SER HA . 18484 1 57 . 1 1 21 21 SER HB2 H 1 3.841 0.000 . . . . . A 21 SER HB2 . 18484 1 58 . 1 1 21 21 SER HB3 H 1 3.841 0.000 . . . . . A 21 SER HB3 . 18484 1 59 . 1 1 21 21 SER CA C 13 57.066 0.000 . . . . . A 21 SER CA . 18484 1 60 . 1 1 21 21 SER CB C 13 62.566 0.000 . . . . . A 21 SER CB . 18484 1 61 . 1 1 21 21 SER N N 15 117.005 0.000 . . . . . A 21 SER N . 18484 1 62 . 1 1 22 22 LEU H H 1 8.340 0.000 . . . . . A 22 LEU H . 18484 1 63 . 1 1 22 22 LEU HA H 1 4.348 0.000 . . . . . A 22 LEU HA . 18484 1 64 . 1 1 22 22 LEU HB2 H 1 1.606 0.000 . . . . . A 22 LEU HB2 . 18484 1 65 . 1 1 22 22 LEU HB3 H 1 1.606 0.000 . . . . . A 22 LEU HB3 . 18484 1 66 . 1 1 22 22 LEU HG H 1 1.606 0.000 . . . . . A 22 LEU HG . 18484 1 67 . 1 1 22 22 LEU HD11 H 1 0.896 0.000 . . . . . A 22 LEU HD11 . 18484 1 68 . 1 1 22 22 LEU HD12 H 1 0.896 0.000 . . . . . A 22 LEU HD12 . 18484 1 69 . 1 1 22 22 LEU HD13 H 1 0.896 0.000 . . . . . A 22 LEU HD13 . 18484 1 70 . 1 1 22 22 LEU HD21 H 1 0.867 0.000 . . . . . A 22 LEU HD21 . 18484 1 71 . 1 1 22 22 LEU HD22 H 1 0.867 0.000 . . . . . A 22 LEU HD22 . 18484 1 72 . 1 1 22 22 LEU HD23 H 1 0.867 0.000 . . . . . A 22 LEU HD23 . 18484 1 73 . 1 1 22 22 LEU CA C 13 55.471 0.000 . . . . . A 22 LEU CA . 18484 1 74 . 1 1 22 22 LEU CB C 13 42.322 0.000 . . . . . A 22 LEU CB . 18484 1 75 . 1 1 22 22 LEU CG C 13 27.044 0.000 . . . . . A 22 LEU CG . 18484 1 76 . 1 1 22 22 LEU CD1 C 13 21.904 0.000 . . . . . A 22 LEU CD1 . 18484 1 77 . 1 1 22 22 LEU CD2 C 13 23.026 0.000 . . . . . A 22 LEU CD2 . 18484 1 78 . 1 1 22 22 LEU N N 15 124.083 0.000 . . . . . A 22 LEU N . 18484 1 79 . 1 1 23 23 ASP H H 1 8.312 0.000 . . . . . A 23 ASP H . 18484 1 80 . 1 1 23 23 ASP HA H 1 4.566 0.000 . . . . . A 23 ASP HA . 18484 1 81 . 1 1 23 23 ASP HB2 H 1 2.702 0.000 . . . . . A 23 ASP HB2 . 18484 1 82 . 1 1 23 23 ASP HB3 H 1 2.578 0.000 . . . . . A 23 ASP HB3 . 18484 1 83 . 1 1 23 23 ASP CA C 13 54.687 0.000 . . . . . A 23 ASP CA . 18484 1 84 . 1 1 23 23 ASP CB C 13 41.553 0.000 . . . . . A 23 ASP CB . 18484 1 85 . 1 1 23 23 ASP N N 15 120.867 0.000 . . . . . A 23 ASP N . 18484 1 86 . 1 1 24 24 GLU H H 1 8.411 0.000 . . . . . A 24 GLU H . 18484 1 87 . 1 1 24 24 GLU HA H 1 4.566 0.000 . . . . . A 24 GLU HA . 18484 1 88 . 1 1 24 24 GLU HB2 H 1 1.933 0.000 . . . . . A 24 GLU HB2 . 18484 1 89 . 1 1 24 24 GLU HB3 H 1 1.933 0.000 . . . . . A 24 GLU HB3 . 18484 1 90 . 1 1 24 24 GLU HG2 H 1 2.237 0.000 . . . . . A 24 GLU HG2 . 18484 1 91 . 1 1 24 24 GLU HG3 H 1 2.240 0.000 . . . . . A 24 GLU HG3 . 18484 1 92 . 1 1 24 24 GLU CA C 13 56.921 0.000 . . . . . A 24 GLU CA . 18484 1 93 . 1 1 24 24 GLU CB C 13 30.015 0.000 . . . . . A 24 GLU CB . 18484 1 94 . 1 1 24 24 GLU CG C 13 36.126 0.000 . . . . . A 24 GLU CG . 18484 1 95 . 1 1 24 24 GLU N N 15 121.470 0.000 . . . . . A 24 GLU N . 18484 1 96 . 1 1 25 25 ASN H H 1 8.436 0.000 . . . . . A 25 ASN H . 18484 1 97 . 1 1 25 25 ASN HA H 1 4.707 0.000 . . . . . A 25 ASN HA . 18484 1 98 . 1 1 25 25 ASN HB2 H 1 2.863 0.000 . . . . . A 25 ASN HB2 . 18484 1 99 . 1 1 25 25 ASN HB3 H 1 2.644 0.000 . . . . . A 25 ASN HB3 . 18484 1 100 . 1 1 25 25 ASN CA C 13 53.593 0.000 . . . . . A 25 ASN CA . 18484 1 101 . 1 1 25 25 ASN CB C 13 39.188 0.000 . . . . . A 25 ASN CB . 18484 1 102 . 1 1 25 25 ASN N N 15 118.582 0.000 . . . . . A 25 ASN N . 18484 1 103 . 1 1 26 26 GLU H H 1 8.196 0.000 . . . . . A 26 GLU H . 18484 1 104 . 1 1 26 26 GLU HA H 1 4.247 0.000 . . . . . A 26 GLU HA . 18484 1 105 . 1 1 26 26 GLU HB2 H 1 2.068 0.000 . . . . . A 26 GLU HB2 . 18484 1 106 . 1 1 26 26 GLU HB3 H 1 1.933 0.000 . . . . . A 26 GLU HB3 . 18484 1 107 . 1 1 26 26 GLU HG2 H 1 2.230 0.000 . . . . . A 26 GLU HG2 . 18484 1 108 . 1 1 26 26 GLU HG3 H 1 2.230 0.000 . . . . . A 26 GLU HG3 . 18484 1 109 . 1 1 26 26 GLU CA C 13 56.310 0.000 . . . . . A 26 GLU CA . 18484 1 110 . 1 1 26 26 GLU CB C 13 30.342 0.000 . . . . . A 26 GLU CB . 18484 1 111 . 1 1 26 26 GLU CG C 13 36.296 0.000 . . . . . A 26 GLU CG . 18484 1 112 . 1 1 26 26 GLU N N 15 121.262 0.000 . . . . . A 26 GLU N . 18484 1 113 . 1 1 27 27 VAL H H 1 8.092 0.000 . . . . . A 27 VAL H . 18484 1 114 . 1 1 27 27 VAL HA H 1 4.036 0.000 . . . . . A 27 VAL HA . 18484 1 115 . 1 1 27 27 VAL HB H 1 2.034 0.000 . . . . . A 27 VAL HB . 18484 1 116 . 1 1 27 27 VAL HG11 H 1 0.917 0.000 . . . . . A 27 VAL HG11 . 18484 1 117 . 1 1 27 27 VAL HG12 H 1 0.917 0.000 . . . . . A 27 VAL HG12 . 18484 1 118 . 1 1 27 27 VAL HG13 H 1 0.917 0.000 . . . . . A 27 VAL HG13 . 18484 1 119 . 1 1 27 27 VAL HG21 H 1 0.815 0.000 . . . . . A 27 VAL HG21 . 18484 1 120 . 1 1 27 27 VAL HG22 H 1 0.815 0.000 . . . . . A 27 VAL HG22 . 18484 1 121 . 1 1 27 27 VAL HG23 H 1 0.815 0.000 . . . . . A 27 VAL HG23 . 18484 1 122 . 1 1 27 27 VAL CA C 13 62.396 0.000 . . . . . A 27 VAL CA . 18484 1 123 . 1 1 27 27 VAL CB C 13 32.770 0.000 . . . . . A 27 VAL CB . 18484 1 124 . 1 1 27 27 VAL CG1 C 13 21.485 0.000 . . . . . A 27 VAL CG1 . 18484 1 125 . 1 1 27 27 VAL CG2 C 13 21.485 0.000 . . . . . A 27 VAL CG2 . 18484 1 126 . 1 1 27 27 VAL N N 15 121.381 0.000 . . . . . A 27 VAL N . 18484 1 127 . 1 1 28 28 ALA H H 1 8.280 0.000 . . . . . A 28 ALA H . 18484 1 128 . 1 1 28 28 ALA HA H 1 4.300 0.000 . . . . . A 28 ALA HA . 18484 1 129 . 1 1 28 28 ALA HB1 H 1 1.392 0.000 . . . . . A 28 ALA HB1 . 18484 1 130 . 1 1 28 28 ALA HB2 H 1 1.392 0.000 . . . . . A 28 ALA HB2 . 18484 1 131 . 1 1 28 28 ALA HB3 H 1 1.392 0.000 . . . . . A 28 ALA HB3 . 18484 1 132 . 1 1 28 28 ALA CA C 13 52.388 0.000 . . . . . A 28 ALA CA . 18484 1 133 . 1 1 28 28 ALA CB C 13 20.383 0.000 . . . . . A 28 ALA CB . 18484 1 134 . 1 1 28 28 ALA N N 15 127.549 0.000 . . . . . A 28 ALA N . 18484 1 135 . 1 1 29 29 ALA H H 1 8.182 0.000 . . . . . A 29 ALA H . 18484 1 136 . 1 1 29 29 ALA HA H 1 4.257 0.000 . . . . . A 29 ALA HA . 18484 1 137 . 1 1 29 29 ALA HB1 H 1 1.362 0.000 . . . . . A 29 ALA HB1 . 18484 1 138 . 1 1 29 29 ALA HB2 H 1 1.362 0.000 . . . . . A 29 ALA HB2 . 18484 1 139 . 1 1 29 29 ALA HB3 H 1 1.362 0.000 . . . . . A 29 ALA HB3 . 18484 1 140 . 1 1 29 29 ALA CA C 13 52.737 0.000 . . . . . A 29 ALA CA . 18484 1 141 . 1 1 29 29 ALA CB C 13 20.585 0.000 . . . . . A 29 ALA CB . 18484 1 142 . 1 1 29 29 ALA N N 15 122.963 0.000 . . . . . A 29 ALA N . 18484 1 143 . 1 1 30 30 ASN H H 1 8.323 0.000 . . . . . A 30 ASN H . 18484 1 144 . 1 1 30 30 ASN HA H 1 4.697 0.000 . . . . . A 30 ASN HA . 18484 1 145 . 1 1 30 30 ASN HB2 H 1 2.802 0.000 . . . . . A 30 ASN HB2 . 18484 1 146 . 1 1 30 30 ASN HB3 H 1 2.723 0.000 . . . . . A 30 ASN HB3 . 18484 1 147 . 1 1 30 30 ASN CA C 13 53.107 0.000 . . . . . A 30 ASN CA . 18484 1 148 . 1 1 30 30 ASN CB C 13 38.876 0.000 . . . . . A 30 ASN CB . 18484 1 149 . 1 1 30 30 ASN N N 15 117.863 0.000 . . . . . A 30 ASN N . 18484 1 150 . 1 1 31 31 VAL H H 1 8.041 0.000 . . . . . A 31 VAL H . 18484 1 151 . 1 1 31 31 VAL HA H 1 4.131 0.000 . . . . . A 31 VAL HA . 18484 1 152 . 1 1 31 31 VAL HB H 1 2.092 0.000 . . . . . A 31 VAL HB . 18484 1 153 . 1 1 31 31 VAL HG11 H 1 0.910 0.000 . . . . . A 31 VAL HG11 . 18484 1 154 . 1 1 31 31 VAL HG12 H 1 0.910 0.000 . . . . . A 31 VAL HG12 . 18484 1 155 . 1 1 31 31 VAL HG13 H 1 0.910 0.000 . . . . . A 31 VAL HG13 . 18484 1 156 . 1 1 31 31 VAL HG21 H 1 0.868 0.000 . . . . . A 31 VAL HG21 . 18484 1 157 . 1 1 31 31 VAL HG22 H 1 0.868 0.000 . . . . . A 31 VAL HG22 . 18484 1 158 . 1 1 31 31 VAL HG23 H 1 0.868 0.000 . . . . . A 31 VAL HG23 . 18484 1 159 . 1 1 31 31 VAL CA C 13 60.983 0.000 . . . . . A 31 VAL CA . 18484 1 160 . 1 1 31 31 VAL CB C 13 32.827 0.000 . . . . . A 31 VAL CB . 18484 1 161 . 1 1 31 31 VAL CG1 C 13 22.706 0.000 . . . . . A 31 VAL CG1 . 18484 1 162 . 1 1 31 31 VAL CG2 C 13 22.706 0.000 . . . . . A 31 VAL CG2 . 18484 1 163 . 1 1 31 31 VAL N N 15 120.074 0.000 . . . . . A 31 VAL N . 18484 1 164 . 1 1 32 32 GLU H H 1 8.487 0.000 . . . . . A 32 GLU H . 18484 1 165 . 1 1 32 32 GLU HA H 1 4.339 0.000 . . . . . A 32 GLU HA . 18484 1 166 . 1 1 32 32 GLU HB2 H 1 1.982 0.000 . . . . . A 32 GLU HB2 . 18484 1 167 . 1 1 32 32 GLU HB3 H 1 1.982 0.000 . . . . . A 32 GLU HB3 . 18484 1 168 . 1 1 32 32 GLU HG2 H 1 2.242 0.000 . . . . . A 32 GLU HG2 . 18484 1 169 . 1 1 32 32 GLU HG3 H 1 2.242 0.000 . . . . . A 32 GLU HG3 . 18484 1 170 . 1 1 32 32 GLU CA C 13 56.728 0.000 . . . . . A 32 GLU CA . 18484 1 171 . 1 1 32 32 GLU CB C 13 30.439 0.000 . . . . . A 32 GLU CB . 18484 1 172 . 1 1 32 32 GLU CG C 13 36.041 0.000 . . . . . A 32 GLU CG . 18484 1 173 . 1 1 32 32 GLU N N 15 124.378 0.000 . . . . . A 32 GLU N . 18484 1 174 . 1 1 33 33 THR H H 1 8.224 0.000 . . . . . A 33 THR H . 18484 1 175 . 1 1 33 33 THR HA H 1 4.312 0.000 . . . . . A 33 THR HA . 18484 1 176 . 1 1 33 33 THR HB H 1 4.129 0.000 . . . . . A 33 THR HB . 18484 1 177 . 1 1 33 33 THR HG21 H 1 1.213 0.000 . . . . . A 33 THR HG21 . 18484 1 178 . 1 1 33 33 THR HG22 H 1 1.213 0.000 . . . . . A 33 THR HG22 . 18484 1 179 . 1 1 33 33 THR HG23 H 1 1.213 0.000 . . . . . A 33 THR HG23 . 18484 1 180 . 1 1 33 33 THR CA C 13 60.472 0.000 . . . . . A 33 THR CA . 18484 1 181 . 1 1 33 33 THR CB C 13 68.412 0.000 . . . . . A 33 THR CB . 18484 1 182 . 1 1 33 33 THR CG2 C 13 23.216 0.000 . . . . . A 33 THR CG2 . 18484 1 183 . 1 1 33 33 THR N N 15 116.772 0.000 . . . . . A 33 THR N . 18484 1 184 . 1 1 34 34 ARG H H 1 8.438 0.000 . . . . . A 34 ARG H . 18484 1 185 . 1 1 34 34 ARG HA H 1 4.732 0.000 . . . . . A 34 ARG HA . 18484 1 186 . 1 1 34 34 ARG HB2 H 1 1.887 0.000 . . . . . A 34 ARG HB2 . 18484 1 187 . 1 1 34 34 ARG HB3 H 1 1.755 0.000 . . . . . A 34 ARG HB3 . 18484 1 188 . 1 1 34 34 ARG HG2 H 1 1.667 0.000 . . . . . A 34 ARG HG2 . 18484 1 189 . 1 1 34 34 ARG HG3 H 1 1.667 0.000 . . . . . A 34 ARG HG3 . 18484 1 190 . 1 1 34 34 ARG HD2 H 1 3.218 0.000 . . . . . A 34 ARG HD2 . 18484 1 191 . 1 1 34 34 ARG HD3 H 1 3.218 0.000 . . . . . A 34 ARG HD3 . 18484 1 192 . 1 1 34 34 ARG CA C 13 53.635 0.000 . . . . . A 34 ARG CA . 18484 1 193 . 1 1 34 34 ARG CB C 13 30.581 0.000 . . . . . A 34 ARG CB . 18484 1 194 . 1 1 34 34 ARG CG C 13 26.815 0.000 . . . . . A 34 ARG CG . 18484 1 195 . 1 1 34 34 ARG CD C 13 43.178 0.000 . . . . . A 34 ARG CD . 18484 1 196 . 1 1 34 34 ARG N N 15 124.955 0.000 . . . . . A 34 ARG N . 18484 1 197 . 1 1 35 35 PRO HA H 1 4.667 0.000 . . . . . A 35 PRO HA . 18484 1 198 . 1 1 35 35 PRO HB2 H 1 1.864 0.000 . . . . . A 35 PRO HB2 . 18484 1 199 . 1 1 35 35 PRO HB3 H 1 2.162 0.000 . . . . . A 35 PRO HB3 . 18484 1 200 . 1 1 35 35 PRO HD2 H 1 3.782 0.000 . . . . . A 35 PRO HD2 . 18484 1 201 . 1 1 35 35 PRO HD3 H 1 3.660 0.000 . . . . . A 35 PRO HD3 . 18484 1 202 . 1 1 35 35 PRO CA C 13 61.995 0.000 . . . . . A 35 PRO CA . 18484 1 203 . 1 1 35 35 PRO CB C 13 32.459 0.000 . . . . . A 35 PRO CB . 18484 1 204 . 1 1 35 35 PRO CD C 13 50.606 0.000 . . . . . A 35 PRO CD . 18484 1 205 . 1 1 36 36 GLU H H 1 8.663 0.000 . . . . . A 36 GLU H . 18484 1 206 . 1 1 36 36 GLU HA H 1 4.509 0.000 . . . . . A 36 GLU HA . 18484 1 207 . 1 1 36 36 GLU HB2 H 1 2.047 0.000 . . . . . A 36 GLU HB2 . 18484 1 208 . 1 1 36 36 GLU HB3 H 1 1.944 0.000 . . . . . A 36 GLU HB3 . 18484 1 209 . 1 1 36 36 GLU HG2 H 1 2.267 0.000 . . . . . A 36 GLU HG2 . 18484 1 210 . 1 1 36 36 GLU HG3 H 1 2.206 0.000 . . . . . A 36 GLU HG3 . 18484 1 211 . 1 1 36 36 GLU CA C 13 55.563 0.000 . . . . . A 36 GLU CA . 18484 1 212 . 1 1 36 36 GLU CB C 13 31.628 0.000 . . . . . A 36 GLU CB . 18484 1 213 . 1 1 36 36 GLU CG C 13 36.211 0.000 . . . . . A 36 GLU CG . 18484 1 214 . 1 1 36 36 GLU N N 15 121.398 0.000 . . . . . A 36 GLU N . 18484 1 215 . 1 1 37 37 LEU H H 1 8.352 0.000 . . . . . A 37 LEU H . 18484 1 216 . 1 1 37 37 LEU HA H 1 5.240 0.000 . . . . . A 37 LEU HA . 18484 1 217 . 1 1 37 37 LEU HB2 H 1 1.645 0.000 . . . . . A 37 LEU HB2 . 18484 1 218 . 1 1 37 37 LEU HB3 H 1 1.645 0.000 . . . . . A 37 LEU HB3 . 18484 1 219 . 1 1 37 37 LEU HG H 1 1.618 0.000 . . . . . A 37 LEU HG . 18484 1 220 . 1 1 37 37 LEU HD11 H 1 0.865 0.000 . . . . . A 37 LEU HD11 . 18484 1 221 . 1 1 37 37 LEU HD12 H 1 0.865 0.000 . . . . . A 37 LEU HD12 . 18484 1 222 . 1 1 37 37 LEU HD13 H 1 0.865 0.000 . . . . . A 37 LEU HD13 . 18484 1 223 . 1 1 37 37 LEU HD21 H 1 0.917 0.000 . . . . . A 37 LEU HD21 . 18484 1 224 . 1 1 37 37 LEU HD22 H 1 0.917 0.000 . . . . . A 37 LEU HD22 . 18484 1 225 . 1 1 37 37 LEU HD23 H 1 0.917 0.000 . . . . . A 37 LEU HD23 . 18484 1 226 . 1 1 37 37 LEU CA C 13 54.120 0.000 . . . . . A 37 LEU CA . 18484 1 227 . 1 1 37 37 LEU CB C 13 42.407 0.000 . . . . . A 37 LEU CB . 18484 1 228 . 1 1 37 37 LEU CG C 13 27.532 0.000 . . . . . A 37 LEU CG . 18484 1 229 . 1 1 37 37 LEU CD1 C 13 21.392 0.000 . . . . . A 37 LEU CD1 . 18484 1 230 . 1 1 37 37 LEU CD2 C 13 20.430 0.000 . . . . . A 37 LEU CD2 . 18484 1 231 . 1 1 37 37 LEU N N 15 125.233 0.000 . . . . . A 37 LEU N . 18484 1 232 . 1 1 38 38 ILE H H 1 9.224 0.000 . . . . . A 38 ILE H . 18484 1 233 . 1 1 38 38 ILE HA H 1 4.775 0.000 . . . . . A 38 ILE HA . 18484 1 234 . 1 1 38 38 ILE HB H 1 1.940 0.000 . . . . . A 38 ILE HB . 18484 1 235 . 1 1 38 38 ILE HG12 H 1 1.216 0.000 . . . . . A 38 ILE HG12 . 18484 1 236 . 1 1 38 38 ILE HG13 H 1 1.001 0.000 . . . . . A 38 ILE HG13 . 18484 1 237 . 1 1 38 38 ILE HG21 H 1 0.857 0.000 . . . . . A 38 ILE HG21 . 18484 1 238 . 1 1 38 38 ILE HG22 H 1 0.857 0.000 . . . . . A 38 ILE HG22 . 18484 1 239 . 1 1 38 38 ILE HG23 H 1 0.857 0.000 . . . . . A 38 ILE HG23 . 18484 1 240 . 1 1 38 38 ILE HD11 H 1 0.735 0.000 . . . . . A 38 ILE HD11 . 18484 1 241 . 1 1 38 38 ILE HD12 H 1 0.735 0.000 . . . . . A 38 ILE HD12 . 18484 1 242 . 1 1 38 38 ILE HD13 H 1 0.735 0.000 . . . . . A 38 ILE HD13 . 18484 1 243 . 1 1 38 38 ILE CA C 13 58.065 0.000 . . . . . A 38 ILE CA . 18484 1 244 . 1 1 38 38 ILE CB C 13 41.790 0.000 . . . . . A 38 ILE CB . 18484 1 245 . 1 1 38 38 ILE CG1 C 13 26.769 0.000 . . . . . A 38 ILE CG1 . 18484 1 246 . 1 1 38 38 ILE CG2 C 13 18.681 0.000 . . . . . A 38 ILE CG2 . 18484 1 247 . 1 1 38 38 ILE CD1 C 13 15.038 0.000 . . . . . A 38 ILE CD1 . 18484 1 248 . 1 1 38 38 ILE N N 15 121.904 0.000 . . . . . A 38 ILE N . 18484 1 249 . 1 1 39 39 THR H H 1 8.077 0.000 . . . . . A 39 THR H . 18484 1 250 . 1 1 39 39 THR HA H 1 5.443 0.000 . . . . . A 39 THR HA . 18484 1 251 . 1 1 39 39 THR HB H 1 3.774 0.000 . . . . . A 39 THR HB . 18484 1 252 . 1 1 39 39 THR HG21 H 1 0.863 0.000 . . . . . A 39 THR HG21 . 18484 1 253 . 1 1 39 39 THR HG22 H 1 0.863 0.000 . . . . . A 39 THR HG22 . 18484 1 254 . 1 1 39 39 THR HG23 H 1 0.863 0.000 . . . . . A 39 THR HG23 . 18484 1 255 . 1 1 39 39 THR CA C 13 57.825 0.000 . . . . . A 39 THR CA . 18484 1 256 . 1 1 39 39 THR CB C 13 70.337 0.000 . . . . . A 39 THR CB . 18484 1 257 . 1 1 39 39 THR CG2 C 13 22.820 0.000 . . . . . A 39 THR CG2 . 18484 1 258 . 1 1 39 39 THR N N 15 111.692 0.000 . . . . . A 39 THR N . 18484 1 259 . 1 1 40 40 ARG H H 1 8.558 0.000 . . . . . A 40 ARG H . 18484 1 260 . 1 1 40 40 ARG HA H 1 4.707 0.000 . . . . . A 40 ARG HA . 18484 1 261 . 1 1 40 40 ARG HB2 H 1 1.778 0.000 . . . . . A 40 ARG HB2 . 18484 1 262 . 1 1 40 40 ARG HB3 H 1 1.594 0.000 . . . . . A 40 ARG HB3 . 18484 1 263 . 1 1 40 40 ARG HG2 H 1 1.613 0.000 . . . . . A 40 ARG HG2 . 18484 1 264 . 1 1 40 40 ARG HG3 H 1 1.519 0.000 . . . . . A 40 ARG HG3 . 18484 1 265 . 1 1 40 40 ARG HD2 H 1 3.213 0.000 . . . . . A 40 ARG HD2 . 18484 1 266 . 1 1 40 40 ARG HD3 H 1 3.017 0.000 . . . . . A 40 ARG HD3 . 18484 1 267 . 1 1 40 40 ARG HE H 1 7.150 0.000 . . . . . A 40 ARG HE . 18484 1 268 . 1 1 40 40 ARG CA C 13 55.674 0.000 . . . . . A 40 ARG CA . 18484 1 269 . 1 1 40 40 ARG CB C 13 34.932 0.000 . . . . . A 40 ARG CB . 18484 1 270 . 1 1 40 40 ARG CG C 13 28.503 0.000 . . . . . A 40 ARG CG . 18484 1 271 . 1 1 40 40 ARG CD C 13 43.575 0.000 . . . . . A 40 ARG CD . 18484 1 272 . 1 1 40 40 ARG N N 15 121.666 0.000 . . . . . A 40 ARG N . 18484 1 273 . 1 1 40 40 ARG NE N 15 133.758 0.000 . . . . . A 40 ARG NE . 18484 1 274 . 1 1 41 41 THR H H 1 8.532 0.000 . . . . . A 41 THR H . 18484 1 275 . 1 1 41 41 THR HA H 1 5.345 0.000 . . . . . A 41 THR HA . 18484 1 276 . 1 1 41 41 THR HB H 1 3.948 0.000 . . . . . A 41 THR HB . 18484 1 277 . 1 1 41 41 THR HG21 H 1 1.070 0.000 . . . . . A 41 THR HG21 . 18484 1 278 . 1 1 41 41 THR HG22 H 1 1.070 0.000 . . . . . A 41 THR HG22 . 18484 1 279 . 1 1 41 41 THR HG23 H 1 1.070 0.000 . . . . . A 41 THR HG23 . 18484 1 280 . 1 1 41 41 THR CA C 13 59.028 0.000 . . . . . A 41 THR CA . 18484 1 281 . 1 1 41 41 THR CB C 13 70.332 0.000 . . . . . A 41 THR CB . 18484 1 282 . 1 1 41 41 THR CG2 C 13 22.934 0.000 . . . . . A 41 THR CG2 . 18484 1 283 . 1 1 41 41 THR N N 15 115.335 0.000 . . . . . A 41 THR N . 18484 1 284 . 1 1 42 42 GLU H H 1 9.049 0.000 . . . . . A 42 GLU H . 18484 1 285 . 1 1 42 42 GLU HA H 1 4.705 0.000 . . . . . A 42 GLU HA . 18484 1 286 . 1 1 42 42 GLU HB2 H 1 2.030 0.000 . . . . . A 42 GLU HB2 . 18484 1 287 . 1 1 42 42 GLU HB3 H 1 1.970 0.000 . . . . . A 42 GLU HB3 . 18484 1 288 . 1 1 42 42 GLU HG2 H 1 2.234 0.000 . . . . . A 42 GLU HG2 . 18484 1 289 . 1 1 42 42 GLU HG3 H 1 2.234 0.000 . . . . . A 42 GLU HG3 . 18484 1 290 . 1 1 42 42 GLU CA C 13 54.318 0.000 . . . . . A 42 GLU CA . 18484 1 291 . 1 1 42 42 GLU CB C 13 33.984 0.000 . . . . . A 42 GLU CB . 18484 1 292 . 1 1 42 42 GLU CG C 13 36.093 0.000 . . . . . A 42 GLU CG . 18484 1 293 . 1 1 42 42 GLU N N 15 122.278 0.000 . . . . . A 42 GLU N . 18484 1 294 . 1 1 43 43 GLU H H 1 8.722 0.000 . . . . . A 43 GLU H . 18484 1 295 . 1 1 43 43 GLU HA H 1 4.659 0.000 . . . . . A 43 GLU HA . 18484 1 296 . 1 1 43 43 GLU HB2 H 1 1.967 0.000 . . . . . A 43 GLU HB2 . 18484 1 297 . 1 1 43 43 GLU HB3 H 1 1.865 0.000 . . . . . A 43 GLU HB3 . 18484 1 298 . 1 1 43 43 GLU HG2 H 1 2.287 0.000 . . . . . A 43 GLU HG2 . 18484 1 299 . 1 1 43 43 GLU HG3 H 1 2.257 0.000 . . . . . A 43 GLU HG3 . 18484 1 300 . 1 1 43 43 GLU CA C 13 56.074 0.000 . . . . . A 43 GLU CA . 18484 1 301 . 1 1 43 43 GLU CB C 13 31.559 0.000 . . . . . A 43 GLU CB . 18484 1 302 . 1 1 43 43 GLU CG C 13 37.162 0.000 . . . . . A 43 GLU CG . 18484 1 303 . 1 1 43 43 GLU N N 15 122.782 0.000 . . . . . A 43 GLU N . 18484 1 304 . 1 1 44 44 ILE H H 1 7.740 0.000 . . . . . A 44 ILE H . 18484 1 305 . 1 1 44 44 ILE HA H 1 4.557 0.000 . . . . . A 44 ILE HA . 18484 1 306 . 1 1 44 44 ILE HB H 1 1.256 0.000 . . . . . A 44 ILE HB . 18484 1 307 . 1 1 44 44 ILE HG12 H 1 1.339 0.000 . . . . . A 44 ILE HG12 . 18484 1 308 . 1 1 44 44 ILE HG13 H 1 0.874 0.000 . . . . . A 44 ILE HG13 . 18484 1 309 . 1 1 44 44 ILE HG21 H 1 0.975 0.000 . . . . . A 44 ILE HG21 . 18484 1 310 . 1 1 44 44 ILE HG22 H 1 0.975 0.000 . . . . . A 44 ILE HG22 . 18484 1 311 . 1 1 44 44 ILE HG23 H 1 0.975 0.000 . . . . . A 44 ILE HG23 . 18484 1 312 . 1 1 44 44 ILE HD11 H 1 0.835 0.000 . . . . . A 44 ILE HD11 . 18484 1 313 . 1 1 44 44 ILE HD12 H 1 0.835 0.000 . . . . . A 44 ILE HD12 . 18484 1 314 . 1 1 44 44 ILE HD13 H 1 0.835 0.000 . . . . . A 44 ILE HD13 . 18484 1 315 . 1 1 44 44 ILE CA C 13 55.622 0.000 . . . . . A 44 ILE CA . 18484 1 316 . 1 1 44 44 ILE CB C 13 40.902 0.000 . . . . . A 44 ILE CB . 18484 1 317 . 1 1 44 44 ILE CG1 C 13 26.575 0.000 . . . . . A 44 ILE CG1 . 18484 1 318 . 1 1 44 44 ILE CG2 C 13 18.184 0.000 . . . . . A 44 ILE CG2 . 18484 1 319 . 1 1 44 44 ILE CD1 C 13 15.777 0.000 . . . . . A 44 ILE CD1 . 18484 1 320 . 1 1 44 44 ILE N N 15 123.255 0.000 . . . . . A 44 ILE N . 18484 1 321 . 1 1 45 45 PRO HA H 1 4.177 0.000 . . . . . A 45 PRO HA . 18484 1 322 . 1 1 45 45 PRO HB2 H 1 1.738 0.000 . . . . . A 45 PRO HB2 . 18484 1 323 . 1 1 45 45 PRO HB3 H 1 2.149 0.000 . . . . . A 45 PRO HB3 . 18484 1 324 . 1 1 45 45 PRO HG2 H 1 1.962 0.000 . . . . . A 45 PRO HG2 . 18484 1 325 . 1 1 45 45 PRO HG3 H 1 1.905 0.000 . . . . . A 45 PRO HG3 . 18484 1 326 . 1 1 45 45 PRO HD2 H 1 3.771 0.000 . . . . . A 45 PRO HD2 . 18484 1 327 . 1 1 45 45 PRO HD3 H 1 3.726 0.000 . . . . . A 45 PRO HD3 . 18484 1 328 . 1 1 45 45 PRO CA C 13 61.978 0.000 . . . . . A 45 PRO CA . 18484 1 329 . 1 1 45 45 PRO CB C 13 32.314 0.000 . . . . . A 45 PRO CB . 18484 1 330 . 1 1 45 45 PRO CG C 13 26.575 0.000 . . . . . A 45 PRO CG . 18484 1 331 . 1 1 45 45 PRO CD C 13 51.257 0.000 . . . . . A 45 PRO CD . 18484 1 332 . 1 1 46 46 PHE H H 1 6.912 0.000 . . . . . A 46 PHE H . 18484 1 333 . 1 1 46 46 PHE HA H 1 4.913 0.000 . . . . . A 46 PHE HA . 18484 1 334 . 1 1 46 46 PHE HB2 H 1 3.596 0.000 . . . . . A 46 PHE HB2 . 18484 1 335 . 1 1 46 46 PHE HB3 H 1 2.824 0.000 . . . . . A 46 PHE HB3 . 18484 1 336 . 1 1 46 46 PHE HD2 H 1 6.918 0.000 . . . . . A 46 PHE HD2 . 18484 1 337 . 1 1 46 46 PHE HE2 H 1 7.145 0.000 . . . . . A 46 PHE HE2 . 18484 1 338 . 1 1 46 46 PHE HZ H 1 7.313 0.000 . . . . . A 46 PHE HZ . 18484 1 339 . 1 1 46 46 PHE CA C 13 54.749 0.000 . . . . . A 46 PHE CA . 18484 1 340 . 1 1 46 46 PHE CB C 13 42.057 0.000 . . . . . A 46 PHE CB . 18484 1 341 . 1 1 46 46 PHE N N 15 114.670 0.000 . . . . . A 46 PHE N . 18484 1 342 . 1 1 47 47 GLU H H 1 8.271 0.000 . . . . . A 47 GLU H . 18484 1 343 . 1 1 47 47 GLU HA H 1 4.600 0.000 . . . . . A 47 GLU HA . 18484 1 344 . 1 1 47 47 GLU HB2 H 1 1.993 0.000 . . . . . A 47 GLU HB2 . 18484 1 345 . 1 1 47 47 GLU HB3 H 1 1.676 0.000 . . . . . A 47 GLU HB3 . 18484 1 346 . 1 1 47 47 GLU HG2 H 1 2.270 0.000 . . . . . A 47 GLU HG2 . 18484 1 347 . 1 1 47 47 GLU HG3 H 1 2.189 0.000 . . . . . A 47 GLU HG3 . 18484 1 348 . 1 1 47 47 GLU CA C 13 54.771 0.000 . . . . . A 47 GLU CA . 18484 1 349 . 1 1 47 47 GLU CB C 13 32.338 0.000 . . . . . A 47 GLU CB . 18484 1 350 . 1 1 47 47 GLU CG C 13 36.657 0.000 . . . . . A 47 GLU CG . 18484 1 351 . 1 1 47 47 GLU N N 15 120.217 0.000 . . . . . A 47 GLU N . 18484 1 352 . 1 1 48 48 VAL H H 1 8.625 0.000 . . . . . A 48 VAL H . 18484 1 353 . 1 1 48 48 VAL HA H 1 4.734 0.000 . . . . . A 48 VAL HA . 18484 1 354 . 1 1 48 48 VAL HB H 1 1.996 0.000 . . . . . A 48 VAL HB . 18484 1 355 . 1 1 48 48 VAL HG11 H 1 1.053 0.000 . . . . . A 48 VAL HG11 . 18484 1 356 . 1 1 48 48 VAL HG12 H 1 1.053 0.000 . . . . . A 48 VAL HG12 . 18484 1 357 . 1 1 48 48 VAL HG13 H 1 1.053 0.000 . . . . . A 48 VAL HG13 . 18484 1 358 . 1 1 48 48 VAL HG21 H 1 0.840 0.000 . . . . . A 48 VAL HG21 . 18484 1 359 . 1 1 48 48 VAL HG22 H 1 0.840 0.000 . . . . . A 48 VAL HG22 . 18484 1 360 . 1 1 48 48 VAL HG23 H 1 0.840 0.000 . . . . . A 48 VAL HG23 . 18484 1 361 . 1 1 48 48 VAL CA C 13 61.472 0.000 . . . . . A 48 VAL CA . 18484 1 362 . 1 1 48 48 VAL CB C 13 32.699 0.000 . . . . . A 48 VAL CB . 18484 1 363 . 1 1 48 48 VAL CG1 C 13 22.274 0.000 . . . . . A 48 VAL CG1 . 18484 1 364 . 1 1 48 48 VAL CG2 C 13 22.996 0.000 . . . . . A 48 VAL CG2 . 18484 1 365 . 1 1 48 48 VAL N N 15 121.331 0.000 . . . . . A 48 VAL N . 18484 1 366 . 1 1 49 49 ILE H H 1 9.505 0.000 . . . . . A 49 ILE H . 18484 1 367 . 1 1 49 49 ILE HA H 1 4.205 0.000 . . . . . A 49 ILE HA . 18484 1 368 . 1 1 49 49 ILE HB H 1 2.011 0.000 . . . . . A 49 ILE HB . 18484 1 369 . 1 1 49 49 ILE HG12 H 1 1.414 0.000 . . . . . A 49 ILE HG12 . 18484 1 370 . 1 1 49 49 ILE HG13 H 1 1.242 0.000 . . . . . A 49 ILE HG13 . 18484 1 371 . 1 1 49 49 ILE HG21 H 1 0.886 0.000 . . . . . A 49 ILE HG21 . 18484 1 372 . 1 1 49 49 ILE HG22 H 1 0.886 0.000 . . . . . A 49 ILE HG22 . 18484 1 373 . 1 1 49 49 ILE HG23 H 1 0.886 0.000 . . . . . A 49 ILE HG23 . 18484 1 374 . 1 1 49 49 ILE HD11 H 1 0.797 0.000 . . . . . A 49 ILE HD11 . 18484 1 375 . 1 1 49 49 ILE HD12 H 1 0.797 0.000 . . . . . A 49 ILE HD12 . 18484 1 376 . 1 1 49 49 ILE HD13 H 1 0.797 0.000 . . . . . A 49 ILE HD13 . 18484 1 377 . 1 1 49 49 ILE CA C 13 58.886 0.000 . . . . . A 49 ILE CA . 18484 1 378 . 1 1 49 49 ILE CB C 13 39.037 0.000 . . . . . A 49 ILE CB . 18484 1 379 . 1 1 49 49 ILE CG1 C 13 27.571 0.000 . . . . . A 49 ILE CG1 . 18484 1 380 . 1 1 49 49 ILE CG2 C 13 18.665 0.000 . . . . . A 49 ILE CG2 . 18484 1 381 . 1 1 49 49 ILE CD1 C 13 13.852 0.000 . . . . . A 49 ILE CD1 . 18484 1 382 . 1 1 49 49 ILE N N 15 132.310 0.000 . . . . . A 49 ILE N . 18484 1 383 . 1 1 50 50 LYS H H 1 8.507 0.000 . . . . . A 50 LYS H . 18484 1 384 . 1 1 50 50 LYS HA H 1 5.284 0.000 . . . . . A 50 LYS HA . 18484 1 385 . 1 1 50 50 LYS HB2 H 1 1.711 0.000 . . . . . A 50 LYS HB2 . 18484 1 386 . 1 1 50 50 LYS HB3 H 1 1.530 0.000 . . . . . A 50 LYS HB3 . 18484 1 387 . 1 1 50 50 LYS HG2 H 1 1.397 0.000 . . . . . A 50 LYS HG2 . 18484 1 388 . 1 1 50 50 LYS HG3 H 1 1.055 0.000 . . . . . A 50 LYS HG3 . 18484 1 389 . 1 1 50 50 LYS HD2 H 1 1.625 0.000 . . . . . A 50 LYS HD2 . 18484 1 390 . 1 1 50 50 LYS HD3 H 1 1.549 0.000 . . . . . A 50 LYS HD3 . 18484 1 391 . 1 1 50 50 LYS HE2 H 1 2.811 0.000 . . . . . A 50 LYS HE2 . 18484 1 392 . 1 1 50 50 LYS HE3 H 1 2.788 0.000 . . . . . A 50 LYS HE3 . 18484 1 393 . 1 1 50 50 LYS CA C 13 54.802 0.000 . . . . . A 50 LYS CA . 18484 1 394 . 1 1 50 50 LYS CB C 13 34.186 0.000 . . . . . A 50 LYS CB . 18484 1 395 . 1 1 50 50 LYS CG C 13 25.835 0.000 . . . . . A 50 LYS CG . 18484 1 396 . 1 1 50 50 LYS CD C 13 29.330 0.000 . . . . . A 50 LYS CD . 18484 1 397 . 1 1 50 50 LYS CE C 13 41.796 0.000 . . . . . A 50 LYS CE . 18484 1 398 . 1 1 50 50 LYS N N 15 125.764 0.000 . . . . . A 50 LYS N . 18484 1 399 . 1 1 51 51 LYS H H 1 9.066 0.000 . . . . . A 51 LYS H . 18484 1 400 . 1 1 51 51 LYS HA H 1 4.608 0.000 . . . . . A 51 LYS HA . 18484 1 401 . 1 1 51 51 LYS HB2 H 1 1.793 0.000 . . . . . A 51 LYS HB2 . 18484 1 402 . 1 1 51 51 LYS HB3 H 1 1.657 0.000 . . . . . A 51 LYS HB3 . 18484 1 403 . 1 1 51 51 LYS HG2 H 1 1.347 0.000 . . . . . A 51 LYS HG2 . 18484 1 404 . 1 1 51 51 LYS HG3 H 1 1.347 0.000 . . . . . A 51 LYS HG3 . 18484 1 405 . 1 1 51 51 LYS HD2 H 1 1.621 0.000 . . . . . A 51 LYS HD2 . 18484 1 406 . 1 1 51 51 LYS HD3 H 1 1.621 0.000 . . . . . A 51 LYS HD3 . 18484 1 407 . 1 1 51 51 LYS HE2 H 1 2.924 0.000 . . . . . A 51 LYS HE2 . 18484 1 408 . 1 1 51 51 LYS HE3 H 1 2.876 0.000 . . . . . A 51 LYS HE3 . 18484 1 409 . 1 1 51 51 LYS CA C 13 54.006 0.000 . . . . . A 51 LYS CA . 18484 1 410 . 1 1 51 51 LYS CB C 13 34.756 0.000 . . . . . A 51 LYS CB . 18484 1 411 . 1 1 51 51 LYS CG C 13 24.441 0.000 . . . . . A 51 LYS CG . 18484 1 412 . 1 1 51 51 LYS CD C 13 29.279 0.000 . . . . . A 51 LYS CD . 18484 1 413 . 1 1 51 51 LYS CE C 13 41.710 0.000 . . . . . A 51 LYS CE . 18484 1 414 . 1 1 51 51 LYS N N 15 124.935 0.000 . . . . . A 51 LYS N . 18484 1 415 . 1 1 52 52 GLU H H 1 8.777 0.000 . . . . . A 52 GLU H . 18484 1 416 . 1 1 52 52 GLU HA H 1 4.621 0.000 . . . . . A 52 GLU HA . 18484 1 417 . 1 1 52 52 GLU HB2 H 1 1.984 0.000 . . . . . A 52 GLU HB2 . 18484 1 418 . 1 1 52 52 GLU HB3 H 1 1.863 0.000 . . . . . A 52 GLU HB3 . 18484 1 419 . 1 1 52 52 GLU HG2 H 1 2.222 0.000 . . . . . A 52 GLU HG2 . 18484 1 420 . 1 1 52 52 GLU HG3 H 1 2.047 0.000 . . . . . A 52 GLU HG3 . 18484 1 421 . 1 1 52 52 GLU CA C 13 55.931 0.000 . . . . . A 52 GLU CA . 18484 1 422 . 1 1 52 52 GLU CB C 13 31.036 0.000 . . . . . A 52 GLU CB . 18484 1 423 . 1 1 52 52 GLU CG C 13 37.013 0.000 . . . . . A 52 GLU CG . 18484 1 424 . 1 1 52 52 GLU N N 15 124.186 0.000 . . . . . A 52 GLU N . 18484 1 425 . 1 1 53 53 ASN H H 1 8.890 0.000 . . . . . A 53 ASN H . 18484 1 426 . 1 1 53 53 ASN HA H 1 5.240 0.000 . . . . . A 53 ASN HA . 18484 1 427 . 1 1 53 53 ASN HB2 H 1 2.818 0.000 . . . . . A 53 ASN HB2 . 18484 1 428 . 1 1 53 53 ASN HB3 H 1 2.485 0.000 . . . . . A 53 ASN HB3 . 18484 1 429 . 1 1 53 53 ASN HD21 H 1 7.878 0.000 . . . . . A 53 ASN HD21 . 18484 1 430 . 1 1 53 53 ASN HD22 H 1 7.074 0.000 . . . . . A 53 ASN HD22 . 18484 1 431 . 1 1 53 53 ASN CA C 13 49.409 0.000 . . . . . A 53 ASN CA . 18484 1 432 . 1 1 53 53 ASN CB C 13 40.473 0.000 . . . . . A 53 ASN CB . 18484 1 433 . 1 1 53 53 ASN N N 15 121.687 0.000 . . . . . A 53 ASN N . 18484 1 434 . 1 1 53 53 ASN ND2 N 15 112.632 0.000 . . . . . A 53 ASN ND2 . 18484 1 435 . 1 1 54 54 PRO HA H 1 4.587 0.000 . . . . . A 54 PRO HA . 18484 1 436 . 1 1 54 54 PRO HB2 H 1 2.072 0.000 . . . . . A 54 PRO HB2 . 18484 1 437 . 1 1 54 54 PRO HB3 H 1 2.347 0.000 . . . . . A 54 PRO HB3 . 18484 1 438 . 1 1 54 54 PRO HG2 H 1 2.070 0.000 . . . . . A 54 PRO HG2 . 18484 1 439 . 1 1 54 54 PRO HG3 H 1 1.909 0.000 . . . . . A 54 PRO HG3 . 18484 1 440 . 1 1 54 54 PRO HD2 H 1 3.957 0.000 . . . . . A 54 PRO HD2 . 18484 1 441 . 1 1 54 54 PRO HD3 H 1 3.708 0.000 . . . . . A 54 PRO HD3 . 18484 1 442 . 1 1 54 54 PRO CA C 13 62.650 0.000 . . . . . A 54 PRO CA . 18484 1 443 . 1 1 54 54 PRO CB C 13 32.219 0.000 . . . . . A 54 PRO CB . 18484 1 444 . 1 1 54 54 PRO CG C 13 26.472 0.000 . . . . . A 54 PRO CG . 18484 1 445 . 1 1 54 54 PRO CD C 13 51.072 0.000 . . . . . A 54 PRO CD . 18484 1 446 . 1 1 55 55 ASN H H 1 8.422 0.000 . . . . . A 55 ASN H . 18484 1 447 . 1 1 55 55 ASN HA H 1 4.695 0.000 . . . . . A 55 ASN HA . 18484 1 448 . 1 1 55 55 ASN HB2 H 1 2.864 0.000 . . . . . A 55 ASN HB2 . 18484 1 449 . 1 1 55 55 ASN HB3 H 1 2.664 0.000 . . . . . A 55 ASN HB3 . 18484 1 450 . 1 1 55 55 ASN HD21 H 1 7.609 0.000 . . . . . A 55 ASN HD21 . 18484 1 451 . 1 1 55 55 ASN HD22 H 1 7.022 0.000 . . . . . A 55 ASN HD22 . 18484 1 452 . 1 1 55 55 ASN CA C 13 53.685 0.000 . . . . . A 55 ASN CA . 18484 1 453 . 1 1 55 55 ASN CB C 13 39.137 0.000 . . . . . A 55 ASN CB . 18484 1 454 . 1 1 55 55 ASN N N 15 115.629 0.000 . . . . . A 55 ASN N . 18484 1 455 . 1 1 55 55 ASN ND2 N 15 114.371 0.000 . . . . . A 55 ASN ND2 . 18484 1 456 . 1 1 56 56 LEU H H 1 7.278 0.000 . . . . . A 56 LEU H . 18484 1 457 . 1 1 56 56 LEU HA H 1 4.686 0.000 . . . . . A 56 LEU HA . 18484 1 458 . 1 1 56 56 LEU HB2 H 1 1.523 0.000 . . . . . A 56 LEU HB2 . 18484 1 459 . 1 1 56 56 LEU HB3 H 1 1.305 0.000 . . . . . A 56 LEU HB3 . 18484 1 460 . 1 1 56 56 LEU HG H 1 1.426 0.000 . . . . . A 56 LEU HG . 18484 1 461 . 1 1 56 56 LEU HD11 H 1 0.755 0.000 . . . . . A 56 LEU HD11 . 18484 1 462 . 1 1 56 56 LEU HD12 H 1 0.755 0.000 . . . . . A 56 LEU HD12 . 18484 1 463 . 1 1 56 56 LEU HD13 H 1 0.755 0.000 . . . . . A 56 LEU HD13 . 18484 1 464 . 1 1 56 56 LEU HD21 H 1 0.738 0.000 . . . . . A 56 LEU HD21 . 18484 1 465 . 1 1 56 56 LEU HD22 H 1 0.738 0.000 . . . . . A 56 LEU HD22 . 18484 1 466 . 1 1 56 56 LEU HD23 H 1 0.738 0.000 . . . . . A 56 LEU HD23 . 18484 1 467 . 1 1 56 56 LEU CA C 13 52.145 0.000 . . . . . A 56 LEU CA . 18484 1 468 . 1 1 56 56 LEU CB C 13 42.456 0.000 . . . . . A 56 LEU CB . 18484 1 469 . 1 1 56 56 LEU CG C 13 27.003 0.000 . . . . . A 56 LEU CG . 18484 1 470 . 1 1 56 56 LEU CD1 C 13 23.045 0.000 . . . . . A 56 LEU CD1 . 18484 1 471 . 1 1 56 56 LEU CD2 C 13 25.373 0.000 . . . . . A 56 LEU CD2 . 18484 1 472 . 1 1 56 56 LEU N N 15 121.277 0.000 . . . . . A 56 LEU N . 18484 1 473 . 1 1 57 57 PRO HA H 1 4.298 0.000 . . . . . A 57 PRO HA . 18484 1 474 . 1 1 57 57 PRO HB2 H 1 1.749 0.000 . . . . . A 57 PRO HB2 . 18484 1 475 . 1 1 57 57 PRO HB3 H 1 2.316 0.000 . . . . . A 57 PRO HB3 . 18484 1 476 . 1 1 57 57 PRO HG2 H 1 2.020 0.000 . . . . . A 57 PRO HG2 . 18484 1 477 . 1 1 57 57 PRO HG3 H 1 1.959 0.000 . . . . . A 57 PRO HG3 . 18484 1 478 . 1 1 57 57 PRO HD2 H 1 3.826 0.000 . . . . . A 57 PRO HD2 . 18484 1 479 . 1 1 57 57 PRO HD3 H 1 3.346 0.000 . . . . . A 57 PRO HD3 . 18484 1 480 . 1 1 57 57 PRO CA C 13 61.332 0.000 . . . . . A 57 PRO CA . 18484 1 481 . 1 1 57 57 PRO CB C 13 32.232 0.000 . . . . . A 57 PRO CB . 18484 1 482 . 1 1 57 57 PRO CG C 13 27.860 0.000 . . . . . A 57 PRO CG . 18484 1 483 . 1 1 57 57 PRO CD C 13 50.493 0.000 . . . . . A 57 PRO CD . 18484 1 484 . 1 1 58 58 ALA H H 1 8.263 0.000 . . . . . A 58 ALA H . 18484 1 485 . 1 1 58 58 ALA HA H 1 3.892 0.000 . . . . . A 58 ALA HA . 18484 1 486 . 1 1 58 58 ALA HB1 H 1 1.303 0.000 . . . . . A 58 ALA HB1 . 18484 1 487 . 1 1 58 58 ALA HB2 H 1 1.303 0.000 . . . . . A 58 ALA HB2 . 18484 1 488 . 1 1 58 58 ALA HB3 H 1 1.303 0.000 . . . . . A 58 ALA HB3 . 18484 1 489 . 1 1 58 58 ALA CA C 13 53.559 0.000 . . . . . A 58 ALA CA . 18484 1 490 . 1 1 58 58 ALA CB C 13 19.480 0.000 . . . . . A 58 ALA CB . 18484 1 491 . 1 1 58 58 ALA N N 15 123.896 0.000 . . . . . A 58 ALA N . 18484 1 492 . 1 1 59 59 GLY H H 1 8.755 0.000 . . . . . A 59 GLY H . 18484 1 493 . 1 1 59 59 GLY HA2 H 1 4.178 0.000 . . . . . A 59 GLY HA2 . 18484 1 494 . 1 1 59 59 GLY HA3 H 1 3.609 0.000 . . . . . A 59 GLY HA3 . 18484 1 495 . 1 1 59 59 GLY CA C 13 45.339 0.000 . . . . . A 59 GLY CA . 18484 1 496 . 1 1 59 59 GLY N N 15 110.843 0.000 . . . . . A 59 GLY N . 18484 1 497 . 1 1 60 60 GLN H H 1 7.877 0.000 . . . . . A 60 GLN H . 18484 1 498 . 1 1 60 60 GLN HA H 1 4.251 0.000 . . . . . A 60 GLN HA . 18484 1 499 . 1 1 60 60 GLN HB2 H 1 1.980 0.000 . . . . . A 60 GLN HB2 . 18484 1 500 . 1 1 60 60 GLN HB3 H 1 1.980 0.000 . . . . . A 60 GLN HB3 . 18484 1 501 . 1 1 60 60 GLN HG2 H 1 2.294 0.000 . . . . . A 60 GLN HG2 . 18484 1 502 . 1 1 60 60 GLN HG3 H 1 2.223 0.000 . . . . . A 60 GLN HG3 . 18484 1 503 . 1 1 60 60 GLN HE21 H 1 7.699 0.000 . . . . . A 60 GLN HE21 . 18484 1 504 . 1 1 60 60 GLN HE22 H 1 6.797 0.000 . . . . . A 60 GLN HE22 . 18484 1 505 . 1 1 60 60 GLN CA C 13 56.080 0.000 . . . . . A 60 GLN CA . 18484 1 506 . 1 1 60 60 GLN CB C 13 29.876 0.000 . . . . . A 60 GLN CB . 18484 1 507 . 1 1 60 60 GLN CG C 13 34.228 0.000 . . . . . A 60 GLN CG . 18484 1 508 . 1 1 60 60 GLN N N 15 121.444 0.000 . . . . . A 60 GLN N . 18484 1 509 . 1 1 60 60 GLN NE2 N 15 112.173 0.000 . . . . . A 60 GLN NE2 . 18484 1 510 . 1 1 61 61 GLU H H 1 8.419 0.000 . . . . . A 61 GLU H . 18484 1 511 . 1 1 61 61 GLU HA H 1 5.241 0.000 . . . . . A 61 GLU HA . 18484 1 512 . 1 1 61 61 GLU HB2 H 1 1.856 0.000 . . . . . A 61 GLU HB2 . 18484 1 513 . 1 1 61 61 GLU HB3 H 1 1.780 0.000 . . . . . A 61 GLU HB3 . 18484 1 514 . 1 1 61 61 GLU HG2 H 1 2.195 0.000 . . . . . A 61 GLU HG2 . 18484 1 515 . 1 1 61 61 GLU HG3 H 1 1.993 0.000 . . . . . A 61 GLU HG3 . 18484 1 516 . 1 1 61 61 GLU CA C 13 55.012 0.000 . . . . . A 61 GLU CA . 18484 1 517 . 1 1 61 61 GLU CB C 13 32.368 0.000 . . . . . A 61 GLU CB . 18484 1 518 . 1 1 61 61 GLU CG C 13 36.594 0.000 . . . . . A 61 GLU CG . 18484 1 519 . 1 1 61 61 GLU N N 15 123.364 0.000 . . . . . A 61 GLU N . 18484 1 520 . 1 1 62 62 ASN H H 1 9.164 0.000 . . . . . A 62 ASN H . 18484 1 521 . 1 1 62 62 ASN HA H 1 5.078 0.000 . . . . . A 62 ASN HA . 18484 1 522 . 1 1 62 62 ASN HB2 H 1 2.711 0.000 . . . . . A 62 ASN HB2 . 18484 1 523 . 1 1 62 62 ASN HB3 H 1 2.711 0.000 . . . . . A 62 ASN HB3 . 18484 1 524 . 1 1 62 62 ASN HD21 H 1 7.865 0.000 . . . . . A 62 ASN HD21 . 18484 1 525 . 1 1 62 62 ASN HD22 H 1 6.819 0.000 . . . . . A 62 ASN HD22 . 18484 1 526 . 1 1 62 62 ASN CA C 13 51.617 0.000 . . . . . A 62 ASN CA . 18484 1 527 . 1 1 62 62 ASN CB C 13 40.999 0.000 . . . . . A 62 ASN CB . 18484 1 528 . 1 1 62 62 ASN N N 15 121.499 0.000 . . . . . A 62 ASN N . 18484 1 529 . 1 1 62 62 ASN ND2 N 15 113.756 0.000 . . . . . A 62 ASN ND2 . 18484 1 530 . 1 1 63 63 ILE H H 1 9.032 0.000 . . . . . A 63 ILE H . 18484 1 531 . 1 1 63 63 ILE HA H 1 3.979 0.000 . . . . . A 63 ILE HA . 18484 1 532 . 1 1 63 63 ILE HB H 1 1.790 0.000 . . . . . A 63 ILE HB . 18484 1 533 . 1 1 63 63 ILE HG12 H 1 1.700 0.000 . . . . . A 63 ILE HG12 . 18484 1 534 . 1 1 63 63 ILE HG13 H 1 0.938 0.000 . . . . . A 63 ILE HG13 . 18484 1 535 . 1 1 63 63 ILE HG21 H 1 0.647 0.000 . . . . . A 63 ILE HG21 . 18484 1 536 . 1 1 63 63 ILE HG22 H 1 0.647 0.000 . . . . . A 63 ILE HG22 . 18484 1 537 . 1 1 63 63 ILE HG23 H 1 0.647 0.000 . . . . . A 63 ILE HG23 . 18484 1 538 . 1 1 63 63 ILE HD11 H 1 0.855 0.000 . . . . . A 63 ILE HD11 . 18484 1 539 . 1 1 63 63 ILE HD12 H 1 0.855 0.000 . . . . . A 63 ILE HD12 . 18484 1 540 . 1 1 63 63 ILE HD13 H 1 0.855 0.000 . . . . . A 63 ILE HD13 . 18484 1 541 . 1 1 63 63 ILE CA C 13 61.650 0.000 . . . . . A 63 ILE CA . 18484 1 542 . 1 1 63 63 ILE CB C 13 37.404 0.000 . . . . . A 63 ILE CB . 18484 1 543 . 1 1 63 63 ILE CG1 C 13 28.576 0.000 . . . . . A 63 ILE CG1 . 18484 1 544 . 1 1 63 63 ILE CG2 C 13 18.184 0.000 . . . . . A 63 ILE CG2 . 18484 1 545 . 1 1 63 63 ILE CD1 C 13 13.966 0.000 . . . . . A 63 ILE CD1 . 18484 1 546 . 1 1 63 63 ILE N N 15 125.976 0.000 . . . . . A 63 ILE N . 18484 1 547 . 1 1 64 64 ILE H H 1 8.876 0.000 . . . . . A 64 ILE H . 18484 1 548 . 1 1 64 64 ILE HA H 1 4.139 0.000 . . . . . A 64 ILE HA . 18484 1 549 . 1 1 64 64 ILE HB H 1 1.737 0.000 . . . . . A 64 ILE HB . 18484 1 550 . 1 1 64 64 ILE HG12 H 1 1.422 0.000 . . . . . A 64 ILE HG12 . 18484 1 551 . 1 1 64 64 ILE HG13 H 1 1.276 0.000 . . . . . A 64 ILE HG13 . 18484 1 552 . 1 1 64 64 ILE HG21 H 1 0.900 0.000 . . . . . A 64 ILE HG21 . 18484 1 553 . 1 1 64 64 ILE HG22 H 1 0.900 0.000 . . . . . A 64 ILE HG22 . 18484 1 554 . 1 1 64 64 ILE HG23 H 1 0.900 0.000 . . . . . A 64 ILE HG23 . 18484 1 555 . 1 1 64 64 ILE HD11 H 1 0.701 0.000 . . . . . A 64 ILE HD11 . 18484 1 556 . 1 1 64 64 ILE HD12 H 1 0.701 0.000 . . . . . A 64 ILE HD12 . 18484 1 557 . 1 1 64 64 ILE HD13 H 1 0.701 0.000 . . . . . A 64 ILE HD13 . 18484 1 558 . 1 1 64 64 ILE CA C 13 60.699 0.000 . . . . . A 64 ILE CA . 18484 1 559 . 1 1 64 64 ILE CB C 13 38.029 0.000 . . . . . A 64 ILE CB . 18484 1 560 . 1 1 64 64 ILE CG1 C 13 27.235 0.000 . . . . . A 64 ILE CG1 . 18484 1 561 . 1 1 64 64 ILE CG2 C 13 18.543 0.000 . . . . . A 64 ILE CG2 . 18484 1 562 . 1 1 64 64 ILE CD1 C 13 12.622 0.000 . . . . . A 64 ILE CD1 . 18484 1 563 . 1 1 64 64 ILE N N 15 130.073 0.000 . . . . . A 64 ILE N . 18484 1 564 . 1 1 65 65 THR H H 1 7.699 0.000 . . . . . A 65 THR H . 18484 1 565 . 1 1 65 65 THR HA H 1 4.349 0.000 . . . . . A 65 THR HA . 18484 1 566 . 1 1 65 65 THR HB H 1 3.681 0.000 . . . . . A 65 THR HB . 18484 1 567 . 1 1 65 65 THR HG21 H 1 1.128 0.000 . . . . . A 65 THR HG21 . 18484 1 568 . 1 1 65 65 THR HG22 H 1 1.128 0.000 . . . . . A 65 THR HG22 . 18484 1 569 . 1 1 65 65 THR HG23 H 1 1.128 0.000 . . . . . A 65 THR HG23 . 18484 1 570 . 1 1 65 65 THR CA C 13 60.066 0.000 . . . . . A 65 THR CA . 18484 1 571 . 1 1 65 65 THR CB C 13 71.059 0.000 . . . . . A 65 THR CB . 18484 1 572 . 1 1 65 65 THR CG2 C 13 23.167 0.000 . . . . . A 65 THR CG2 . 18484 1 573 . 1 1 65 65 THR N N 15 116.771 0.000 . . . . . A 65 THR N . 18484 1 574 . 1 1 66 66 ALA H H 1 8.579 0.000 . . . . . A 66 ALA H . 18484 1 575 . 1 1 66 66 ALA HA H 1 3.928 0.000 . . . . . A 66 ALA HA . 18484 1 576 . 1 1 66 66 ALA HB1 H 1 1.238 0.000 . . . . . A 66 ALA HB1 . 18484 1 577 . 1 1 66 66 ALA HB2 H 1 1.238 0.000 . . . . . A 66 ALA HB2 . 18484 1 578 . 1 1 66 66 ALA HB3 H 1 1.238 0.000 . . . . . A 66 ALA HB3 . 18484 1 579 . 1 1 66 66 ALA CA C 13 51.617 0.000 . . . . . A 66 ALA CA . 18484 1 580 . 1 1 66 66 ALA CB C 13 19.653 0.000 . . . . . A 66 ALA CB . 18484 1 581 . 1 1 66 66 ALA N N 15 130.117 0.000 . . . . . A 66 ALA N . 18484 1 582 . 1 1 67 67 GLY H H 1 8.387 0.000 . . . . . A 67 GLY H . 18484 1 583 . 1 1 67 67 GLY HA2 H 1 3.421 0.000 . . . . . A 67 GLY HA2 . 18484 1 584 . 1 1 67 67 GLY HA3 H 1 1.169 0.000 . . . . . A 67 GLY HA3 . 18484 1 585 . 1 1 67 67 GLY CA C 13 43.606 0.000 . . . . . A 67 GLY CA . 18484 1 586 . 1 1 67 67 GLY N N 15 107.619 0.000 . . . . . A 67 GLY N . 18484 1 587 . 1 1 68 68 VAL H H 1 8.966 0.000 . . . . . A 68 VAL H . 18484 1 588 . 1 1 68 68 VAL HA H 1 4.124 0.000 . . . . . A 68 VAL HA . 18484 1 589 . 1 1 68 68 VAL HB H 1 1.872 0.000 . . . . . A 68 VAL HB . 18484 1 590 . 1 1 68 68 VAL HG11 H 1 0.796 0.000 . . . . . A 68 VAL HG11 . 18484 1 591 . 1 1 68 68 VAL HG12 H 1 0.796 0.000 . . . . . A 68 VAL HG12 . 18484 1 592 . 1 1 68 68 VAL HG13 H 1 0.796 0.000 . . . . . A 68 VAL HG13 . 18484 1 593 . 1 1 68 68 VAL HG21 H 1 1.033 0.000 . . . . . A 68 VAL HG21 . 18484 1 594 . 1 1 68 68 VAL HG22 H 1 1.033 0.000 . . . . . A 68 VAL HG22 . 18484 1 595 . 1 1 68 68 VAL HG23 H 1 1.033 0.000 . . . . . A 68 VAL HG23 . 18484 1 596 . 1 1 68 68 VAL CA C 13 60.443 0.000 . . . . . A 68 VAL CA . 18484 1 597 . 1 1 68 68 VAL CB C 13 34.972 0.000 . . . . . A 68 VAL CB . 18484 1 598 . 1 1 68 68 VAL CG1 C 13 21.994 0.000 . . . . . A 68 VAL CG1 . 18484 1 599 . 1 1 68 68 VAL CG2 C 13 22.515 0.000 . . . . . A 68 VAL CG2 . 18484 1 600 . 1 1 68 68 VAL N N 15 123.776 0.000 . . . . . A 68 VAL N . 18484 1 601 . 1 1 69 69 LYS H H 1 8.799 0.000 . . . . . A 69 LYS H . 18484 1 602 . 1 1 69 69 LYS HA H 1 4.448 0.000 . . . . . A 69 LYS HA . 18484 1 603 . 1 1 69 69 LYS HB2 H 1 1.880 0.000 . . . . . A 69 LYS HB2 . 18484 1 604 . 1 1 69 69 LYS HB3 H 1 1.845 0.000 . . . . . A 69 LYS HB3 . 18484 1 605 . 1 1 69 69 LYS HG2 H 1 1.820 0.000 . . . . . A 69 LYS HG2 . 18484 1 606 . 1 1 69 69 LYS HG3 H 1 1.543 0.000 . . . . . A 69 LYS HG3 . 18484 1 607 . 1 1 69 69 LYS HD2 H 1 1.611 0.000 . . . . . A 69 LYS HD2 . 18484 1 608 . 1 1 69 69 LYS HD3 H 1 1.611 0.000 . . . . . A 69 LYS HD3 . 18484 1 609 . 1 1 69 69 LYS HE2 H 1 2.961 0.000 . . . . . A 69 LYS HE2 . 18484 1 610 . 1 1 69 69 LYS HE3 H 1 2.878 0.000 . . . . . A 69 LYS HE3 . 18484 1 611 . 1 1 69 69 LYS CA C 13 57.012 0.000 . . . . . A 69 LYS CA . 18484 1 612 . 1 1 69 69 LYS CB C 13 33.410 0.000 . . . . . A 69 LYS CB . 18484 1 613 . 1 1 69 69 LYS CG C 13 26.743 0.000 . . . . . A 69 LYS CG . 18484 1 614 . 1 1 69 69 LYS CD C 13 29.920 0.000 . . . . . A 69 LYS CD . 18484 1 615 . 1 1 69 69 LYS CE C 13 41.811 0.000 . . . . . A 69 LYS CE . 18484 1 616 . 1 1 69 69 LYS N N 15 125.803 0.000 . . . . . A 69 LYS N . 18484 1 617 . 1 1 70 70 GLY H H 1 8.858 0.000 . . . . . A 70 GLY H . 18484 1 618 . 1 1 70 70 GLY HA2 H 1 4.212 0.000 . . . . . A 70 GLY HA2 . 18484 1 619 . 1 1 70 70 GLY HA3 H 1 3.494 0.000 . . . . . A 70 GLY HA3 . 18484 1 620 . 1 1 70 70 GLY CA C 13 43.549 0.000 . . . . . A 70 GLY CA . 18484 1 621 . 1 1 70 70 GLY N N 15 108.188 0.000 . . . . . A 70 GLY N . 18484 1 622 . 1 1 71 71 GLU H H 1 9.538 0.000 . . . . . A 71 GLU H . 18484 1 623 . 1 1 71 71 GLU HA H 1 5.059 0.000 . . . . . A 71 GLU HA . 18484 1 624 . 1 1 71 71 GLU HB2 H 1 1.860 0.000 . . . . . A 71 GLU HB2 . 18484 1 625 . 1 1 71 71 GLU HB3 H 1 1.780 0.000 . . . . . A 71 GLU HB3 . 18484 1 626 . 1 1 71 71 GLU HG2 H 1 1.990 0.000 . . . . . A 71 GLU HG2 . 18484 1 627 . 1 1 71 71 GLU HG3 H 1 1.849 0.000 . . . . . A 71 GLU HG3 . 18484 1 628 . 1 1 71 71 GLU CA C 13 56.146 0.000 . . . . . A 71 GLU CA . 18484 1 629 . 1 1 71 71 GLU CB C 13 36.142 0.000 . . . . . A 71 GLU CB . 18484 1 630 . 1 1 71 71 GLU CG C 13 37.446 0.000 . . . . . A 71 GLU CG . 18484 1 631 . 1 1 71 71 GLU N N 15 123.030 0.000 . . . . . A 71 GLU N . 18484 1 632 . 1 1 72 72 ARG H H 1 9.191 0.000 . . . . . A 72 ARG H . 18484 1 633 . 1 1 72 72 ARG HA H 1 5.059 0.000 . . . . . A 72 ARG HA . 18484 1 634 . 1 1 72 72 ARG HB2 H 1 1.565 0.000 . . . . . A 72 ARG HB2 . 18484 1 635 . 1 1 72 72 ARG HB3 H 1 1.505 0.000 . . . . . A 72 ARG HB3 . 18484 1 636 . 1 1 72 72 ARG HG2 H 1 1.216 0.000 . . . . . A 72 ARG HG2 . 18484 1 637 . 1 1 72 72 ARG HG3 H 1 0.903 0.000 . . . . . A 72 ARG HG3 . 18484 1 638 . 1 1 72 72 ARG HD2 H 1 3.119 0.000 . . . . . A 72 ARG HD2 . 18484 1 639 . 1 1 72 72 ARG HD3 H 1 3.052 0.000 . . . . . A 72 ARG HD3 . 18484 1 640 . 1 1 72 72 ARG HE H 1 7.559 0.000 . . . . . A 72 ARG HE . 18484 1 641 . 1 1 72 72 ARG CA C 13 54.001 0.000 . . . . . A 72 ARG CA . 18484 1 642 . 1 1 72 72 ARG CB C 13 33.500 0.000 . . . . . A 72 ARG CB . 18484 1 643 . 1 1 72 72 ARG CG C 13 27.930 0.000 . . . . . A 72 ARG CG . 18484 1 644 . 1 1 72 72 ARG CD C 13 43.178 0.000 . . . . . A 72 ARG CD . 18484 1 645 . 1 1 72 72 ARG N N 15 126.426 0.000 . . . . . A 72 ARG N . 18484 1 646 . 1 1 72 72 ARG NE N 15 125.751 0.000 . . . . . A 72 ARG NE . 18484 1 647 . 1 1 73 73 THR H H 1 9.249 0.000 . . . . . A 73 THR H . 18484 1 648 . 1 1 73 73 THR HA H 1 4.522 0.000 . . . . . A 73 THR HA . 18484 1 649 . 1 1 73 73 THR HB H 1 3.710 0.000 . . . . . A 73 THR HB . 18484 1 650 . 1 1 73 73 THR HG21 H 1 0.569 0.000 . . . . . A 73 THR HG21 . 18484 1 651 . 1 1 73 73 THR HG22 H 1 0.569 0.000 . . . . . A 73 THR HG22 . 18484 1 652 . 1 1 73 73 THR HG23 H 1 0.569 0.000 . . . . . A 73 THR HG23 . 18484 1 653 . 1 1 73 73 THR CA C 13 60.953 0.000 . . . . . A 73 THR CA . 18484 1 654 . 1 1 73 73 THR CB C 13 68.412 0.000 . . . . . A 73 THR CB . 18484 1 655 . 1 1 73 73 THR CG2 C 13 22.996 0.000 . . . . . A 73 THR CG2 . 18484 1 656 . 1 1 73 73 THR N N 15 120.983 0.000 . . . . . A 73 THR N . 18484 1 657 . 1 1 74 74 HIS H H 1 9.056 0.000 . . . . . A 74 HIS H . 18484 1 658 . 1 1 74 74 HIS HA H 1 5.153 0.000 . . . . . A 74 HIS HA . 18484 1 659 . 1 1 74 74 HIS HB2 H 1 2.865 0.000 . . . . . A 74 HIS HB2 . 18484 1 660 . 1 1 74 74 HIS HB3 H 1 2.865 0.000 . . . . . A 74 HIS HB3 . 18484 1 661 . 1 1 74 74 HIS HD1 H 1 6.672 0.000 . . . . . A 74 HIS HD1 . 18484 1 662 . 1 1 74 74 HIS HE1 H 1 7.562 0.000 . . . . . A 74 HIS HE1 . 18484 1 663 . 1 1 74 74 HIS CA C 13 54.487 0.000 . . . . . A 74 HIS CA . 18484 1 664 . 1 1 74 74 HIS CB C 13 32.997 0.000 . . . . . A 74 HIS CB . 18484 1 665 . 1 1 74 74 HIS N N 15 125.685 0.000 . . . . . A 74 HIS N . 18484 1 666 . 1 1 75 75 TYR H H 1 8.945 0.000 . . . . . A 75 TYR H . 18484 1 667 . 1 1 75 75 TYR HA H 1 4.868 0.000 . . . . . A 75 TYR HA . 18484 1 668 . 1 1 75 75 TYR HB2 H 1 2.971 0.000 . . . . . A 75 TYR HB2 . 18484 1 669 . 1 1 75 75 TYR HB3 H 1 2.881 0.000 . . . . . A 75 TYR HB3 . 18484 1 670 . 1 1 75 75 TYR HD2 H 1 6.936 0.000 . . . . . A 75 TYR HD2 . 18484 1 671 . 1 1 75 75 TYR HE2 H 1 6.570 0.000 . . . . . A 75 TYR HE2 . 18484 1 672 . 1 1 75 75 TYR CA C 13 56.499 0.000 . . . . . A 75 TYR CA . 18484 1 673 . 1 1 75 75 TYR CB C 13 38.425 0.000 . . . . . A 75 TYR CB . 18484 1 674 . 1 1 75 75 TYR N N 15 123.688 0.000 . . . . . A 75 TYR N . 18484 1 675 . 1 1 76 76 ILE H H 1 9.079 0.000 . . . . . A 76 ILE H . 18484 1 676 . 1 1 76 76 ILE HA H 1 4.800 0.000 . . . . . A 76 ILE HA . 18484 1 677 . 1 1 76 76 ILE HB H 1 1.602 0.000 . . . . . A 76 ILE HB . 18484 1 678 . 1 1 76 76 ILE HG12 H 1 1.390 0.000 . . . . . A 76 ILE HG12 . 18484 1 679 . 1 1 76 76 ILE HG13 H 1 0.935 0.000 . . . . . A 76 ILE HG13 . 18484 1 680 . 1 1 76 76 ILE HG21 H 1 0.696 0.000 . . . . . A 76 ILE HG21 . 18484 1 681 . 1 1 76 76 ILE HG22 H 1 0.696 0.000 . . . . . A 76 ILE HG22 . 18484 1 682 . 1 1 76 76 ILE HG23 H 1 0.696 0.000 . . . . . A 76 ILE HG23 . 18484 1 683 . 1 1 76 76 ILE HD11 H 1 0.695 0.000 . . . . . A 76 ILE HD11 . 18484 1 684 . 1 1 76 76 ILE HD12 H 1 0.695 0.000 . . . . . A 76 ILE HD12 . 18484 1 685 . 1 1 76 76 ILE HD13 H 1 0.695 0.000 . . . . . A 76 ILE HD13 . 18484 1 686 . 1 1 76 76 ILE CA C 13 58.787 0.000 . . . . . A 76 ILE CA . 18484 1 687 . 1 1 76 76 ILE CB C 13 42.034 0.000 . . . . . A 76 ILE CB . 18484 1 688 . 1 1 76 76 ILE CG1 C 13 28.424 0.000 . . . . . A 76 ILE CG1 . 18484 1 689 . 1 1 76 76 ILE CG2 C 13 18.900 0.000 . . . . . A 76 ILE CG2 . 18484 1 690 . 1 1 76 76 ILE CD1 C 13 15.556 0.000 . . . . . A 76 ILE CD1 . 18484 1 691 . 1 1 76 76 ILE N N 15 125.717 0.000 . . . . . A 76 ILE N . 18484 1 692 . 1 1 77 77 SER H H 1 9.047 0.000 . . . . . A 77 SER H . 18484 1 693 . 1 1 77 77 SER HA H 1 5.183 0.000 . . . . . A 77 SER HA . 18484 1 694 . 1 1 77 77 SER HB2 H 1 3.772 0.000 . . . . . A 77 SER HB2 . 18484 1 695 . 1 1 77 77 SER HB3 H 1 3.666 0.000 . . . . . A 77 SER HB3 . 18484 1 696 . 1 1 77 77 SER CA C 13 55.930 0.000 . . . . . A 77 SER CA . 18484 1 697 . 1 1 77 77 SER CB C 13 63.118 0.000 . . . . . A 77 SER CB . 18484 1 698 . 1 1 77 77 SER N N 15 120.473 0.000 . . . . . A 77 SER N . 18484 1 699 . 1 1 78 78 VAL H H 1 9.301 0.000 . . . . . A 78 VAL H . 18484 1 700 . 1 1 78 78 VAL HA H 1 4.729 0.000 . . . . . A 78 VAL HA . 18484 1 701 . 1 1 78 78 VAL HB H 1 1.977 0.000 . . . . . A 78 VAL HB . 18484 1 702 . 1 1 78 78 VAL HG11 H 1 0.884 0.000 . . . . . A 78 VAL HG11 . 18484 1 703 . 1 1 78 78 VAL HG12 H 1 0.884 0.000 . . . . . A 78 VAL HG12 . 18484 1 704 . 1 1 78 78 VAL HG13 H 1 0.884 0.000 . . . . . A 78 VAL HG13 . 18484 1 705 . 1 1 78 78 VAL HG21 H 1 0.854 0.000 . . . . . A 78 VAL HG21 . 18484 1 706 . 1 1 78 78 VAL HG22 H 1 0.854 0.000 . . . . . A 78 VAL HG22 . 18484 1 707 . 1 1 78 78 VAL HG23 H 1 0.854 0.000 . . . . . A 78 VAL HG23 . 18484 1 708 . 1 1 78 78 VAL CA C 13 60.517 0.000 . . . . . A 78 VAL CA . 18484 1 709 . 1 1 78 78 VAL CB C 13 33.685 0.000 . . . . . A 78 VAL CB . 18484 1 710 . 1 1 78 78 VAL CG1 C 13 22.792 0.000 . . . . . A 78 VAL CG1 . 18484 1 711 . 1 1 78 78 VAL CG2 C 13 22.792 0.000 . . . . . A 78 VAL CG2 . 18484 1 712 . 1 1 78 78 VAL N N 15 128.488 0.000 . . . . . A 78 VAL N . 18484 1 713 . 1 1 79 79 LEU H H 1 8.553 0.000 . . . . . A 79 LEU H . 18484 1 714 . 1 1 79 79 LEU HA H 1 4.783 0.000 . . . . . A 79 LEU HA . 18484 1 715 . 1 1 79 79 LEU HB2 H 1 1.722 0.000 . . . . . A 79 LEU HB2 . 18484 1 716 . 1 1 79 79 LEU HB3 H 1 1.434 0.000 . . . . . A 79 LEU HB3 . 18484 1 717 . 1 1 79 79 LEU HG H 1 1.418 0.000 . . . . . A 79 LEU HG . 18484 1 718 . 1 1 79 79 LEU HD11 H 1 0.820 0.000 . . . . . A 79 LEU HD11 . 18484 1 719 . 1 1 79 79 LEU HD12 H 1 0.820 0.000 . . . . . A 79 LEU HD12 . 18484 1 720 . 1 1 79 79 LEU HD13 H 1 0.820 0.000 . . . . . A 79 LEU HD13 . 18484 1 721 . 1 1 79 79 LEU HD21 H 1 0.830 0.000 . . . . . A 79 LEU HD21 . 18484 1 722 . 1 1 79 79 LEU HD22 H 1 0.830 0.000 . . . . . A 79 LEU HD22 . 18484 1 723 . 1 1 79 79 LEU HD23 H 1 0.830 0.000 . . . . . A 79 LEU HD23 . 18484 1 724 . 1 1 79 79 LEU CA C 13 53.873 0.000 . . . . . A 79 LEU CA . 18484 1 725 . 1 1 79 79 LEU CB C 13 45.605 0.000 . . . . . A 79 LEU CB . 18484 1 726 . 1 1 79 79 LEU CG C 13 27.518 0.000 . . . . . A 79 LEU CG . 18484 1 727 . 1 1 79 79 LEU CD1 C 13 25.159 0.000 . . . . . A 79 LEU CD1 . 18484 1 728 . 1 1 79 79 LEU CD2 C 13 26.265 0.000 . . . . . A 79 LEU CD2 . 18484 1 729 . 1 1 79 79 LEU N N 15 129.698 0.000 . . . . . A 79 LEU N . 18484 1 730 . 1 1 80 80 THR H H 1 8.754 0.000 . . . . . A 80 THR H . 18484 1 731 . 1 1 80 80 THR HA H 1 5.096 0.000 . . . . . A 80 THR HA . 18484 1 732 . 1 1 80 80 THR HB H 1 3.886 0.000 . . . . . A 80 THR HB . 18484 1 733 . 1 1 80 80 THR HG21 H 1 1.012 0.000 . . . . . A 80 THR HG21 . 18484 1 734 . 1 1 80 80 THR HG22 H 1 1.012 0.000 . . . . . A 80 THR HG22 . 18484 1 735 . 1 1 80 80 THR HG23 H 1 1.012 0.000 . . . . . A 80 THR HG23 . 18484 1 736 . 1 1 80 80 THR CA C 13 60.231 0.000 . . . . . A 80 THR CA . 18484 1 737 . 1 1 80 80 THR CB C 13 68.171 0.000 . . . . . A 80 THR CB . 18484 1 738 . 1 1 80 80 THR CG2 C 13 22.274 0.000 . . . . . A 80 THR CG2 . 18484 1 739 . 1 1 80 80 THR N N 15 123.276 0.000 . . . . . A 80 THR N . 18484 1 740 . 1 1 81 81 GLU H H 1 8.615 0.000 . . . . . A 81 GLU H . 18484 1 741 . 1 1 81 81 GLU HA H 1 4.530 0.000 . . . . . A 81 GLU HA . 18484 1 742 . 1 1 81 81 GLU HB2 H 1 1.964 0.000 . . . . . A 81 GLU HB2 . 18484 1 743 . 1 1 81 81 GLU HB3 H 1 1.871 0.000 . . . . . A 81 GLU HB3 . 18484 1 744 . 1 1 81 81 GLU HG2 H 1 2.114 0.000 . . . . . A 81 GLU HG2 . 18484 1 745 . 1 1 81 81 GLU HG3 H 1 2.114 0.000 . . . . . A 81 GLU HG3 . 18484 1 746 . 1 1 81 81 GLU CA C 13 55.372 0.000 . . . . . A 81 GLU CA . 18484 1 747 . 1 1 81 81 GLU CB C 13 32.374 0.000 . . . . . A 81 GLU CB . 18484 1 748 . 1 1 81 81 GLU CG C 13 36.021 0.000 . . . . . A 81 GLU CG . 18484 1 749 . 1 1 81 81 GLU N N 15 125.405 0.000 . . . . . A 81 GLU N . 18484 1 750 . 1 1 82 82 ASN H H 1 9.559 0.000 . . . . . A 82 ASN H . 18484 1 751 . 1 1 82 82 ASN HA H 1 4.360 0.000 . . . . . A 82 ASN HA . 18484 1 752 . 1 1 82 82 ASN HB2 H 1 3.027 0.000 . . . . . A 82 ASN HB2 . 18484 1 753 . 1 1 82 82 ASN HB3 H 1 2.742 0.000 . . . . . A 82 ASN HB3 . 18484 1 754 . 1 1 82 82 ASN HD21 H 1 7.658 0.000 . . . . . A 82 ASN HD21 . 18484 1 755 . 1 1 82 82 ASN HD22 H 1 6.922 0.000 . . . . . A 82 ASN HD22 . 18484 1 756 . 1 1 82 82 ASN CA C 13 54.328 0.000 . . . . . A 82 ASN CA . 18484 1 757 . 1 1 82 82 ASN CB C 13 37.432 0.000 . . . . . A 82 ASN CB . 18484 1 758 . 1 1 82 82 ASN N N 15 124.375 0.000 . . . . . A 82 ASN N . 18484 1 759 . 1 1 82 82 ASN ND2 N 15 113.476 0.000 . . . . . A 82 ASN ND2 . 18484 1 760 . 1 1 83 83 GLY H H 1 8.626 0.000 . . . . . A 83 GLY H . 18484 1 761 . 1 1 83 83 GLY HA2 H 1 4.084 0.000 . . . . . A 83 GLY HA2 . 18484 1 762 . 1 1 83 83 GLY HA3 H 1 3.556 0.000 . . . . . A 83 GLY HA3 . 18484 1 763 . 1 1 83 83 GLY CA C 13 45.359 0.000 . . . . . A 83 GLY CA . 18484 1 764 . 1 1 83 83 GLY N N 15 103.733 0.000 . . . . . A 83 GLY N . 18484 1 765 . 1 1 84 84 LYS H H 1 7.813 0.000 . . . . . A 84 LYS H . 18484 1 766 . 1 1 84 84 LYS HA H 1 4.698 0.000 . . . . . A 84 LYS HA . 18484 1 767 . 1 1 84 84 LYS HB2 H 1 1.880 0.000 . . . . . A 84 LYS HB2 . 18484 1 768 . 1 1 84 84 LYS HB3 H 1 1.790 0.000 . . . . . A 84 LYS HB3 . 18484 1 769 . 1 1 84 84 LYS HG2 H 1 1.414 0.000 . . . . . A 84 LYS HG2 . 18484 1 770 . 1 1 84 84 LYS HG3 H 1 1.332 0.000 . . . . . A 84 LYS HG3 . 18484 1 771 . 1 1 84 84 LYS HD2 H 1 1.674 0.000 . . . . . A 84 LYS HD2 . 18484 1 772 . 1 1 84 84 LYS HD3 H 1 1.674 0.000 . . . . . A 84 LYS HD3 . 18484 1 773 . 1 1 84 84 LYS HE2 H 1 3.194 0.000 . . . . . A 84 LYS HE2 . 18484 1 774 . 1 1 84 84 LYS HE3 H 1 3.028 0.000 . . . . . A 84 LYS HE3 . 18484 1 775 . 1 1 84 84 LYS CA C 13 55.182 0.000 . . . . . A 84 LYS CA . 18484 1 776 . 1 1 84 84 LYS CB C 13 34.807 0.000 . . . . . A 84 LYS CB . 18484 1 777 . 1 1 84 84 LYS CG C 13 24.441 0.000 . . . . . A 84 LYS CG . 18484 1 778 . 1 1 84 84 LYS CD C 13 29.098 0.000 . . . . . A 84 LYS CD . 18484 1 779 . 1 1 84 84 LYS CE C 13 43.418 0.000 . . . . . A 84 LYS CE . 18484 1 780 . 1 1 84 84 LYS N N 15 121.407 0.000 . . . . . A 84 LYS N . 18484 1 781 . 1 1 85 85 THR H H 1 8.796 0.000 . . . . . A 85 THR H . 18484 1 782 . 1 1 85 85 THR HA H 1 5.194 0.000 . . . . . A 85 THR HA . 18484 1 783 . 1 1 85 85 THR HB H 1 3.856 0.000 . . . . . A 85 THR HB . 18484 1 784 . 1 1 85 85 THR HG21 H 1 1.058 0.000 . . . . . A 85 THR HG21 . 18484 1 785 . 1 1 85 85 THR HG22 H 1 1.058 0.000 . . . . . A 85 THR HG22 . 18484 1 786 . 1 1 85 85 THR HG23 H 1 1.058 0.000 . . . . . A 85 THR HG23 . 18484 1 787 . 1 1 85 85 THR CA C 13 60.472 0.000 . . . . . A 85 THR CA . 18484 1 788 . 1 1 85 85 THR CB C 13 69.134 0.000 . . . . . A 85 THR CB . 18484 1 789 . 1 1 85 85 THR CG2 C 13 23.077 0.000 . . . . . A 85 THR CG2 . 18484 1 790 . 1 1 85 85 THR N N 15 121.799 0.000 . . . . . A 85 THR N . 18484 1 791 . 1 1 86 86 THR H H 1 9.134 0.000 . . . . . A 86 THR H . 18484 1 792 . 1 1 86 86 THR HA H 1 4.535 0.000 . . . . . A 86 THR HA . 18484 1 793 . 1 1 86 86 THR HB H 1 3.994 0.000 . . . . . A 86 THR HB . 18484 1 794 . 1 1 86 86 THR HG21 H 1 1.153 0.000 . . . . . A 86 THR HG21 . 18484 1 795 . 1 1 86 86 THR HG22 H 1 1.153 0.000 . . . . . A 86 THR HG22 . 18484 1 796 . 1 1 86 86 THR HG23 H 1 1.153 0.000 . . . . . A 86 THR HG23 . 18484 1 797 . 1 1 86 86 THR CA C 13 59.990 0.000 . . . . . A 86 THR CA . 18484 1 798 . 1 1 86 86 THR CB C 13 69.856 0.000 . . . . . A 86 THR CB . 18484 1 799 . 1 1 86 86 THR CG2 C 13 22.515 0.000 . . . . . A 86 THR CG2 . 18484 1 800 . 1 1 86 86 THR N N 15 122.071 0.000 . . . . . A 86 THR N . 18484 1 801 . 1 1 87 87 GLU H H 1 8.905 0.000 . . . . . A 87 GLU H . 18484 1 802 . 1 1 87 87 GLU HA H 1 5.030 0.000 . . . . . A 87 GLU HA . 18484 1 803 . 1 1 87 87 GLU HB2 H 1 1.861 0.000 . . . . . A 87 GLU HB2 . 18484 1 804 . 1 1 87 87 GLU HB3 H 1 1.746 0.000 . . . . . A 87 GLU HB3 . 18484 1 805 . 1 1 87 87 GLU HG2 H 1 2.225 0.000 . . . . . A 87 GLU HG2 . 18484 1 806 . 1 1 87 87 GLU HG3 H 1 1.995 0.000 . . . . . A 87 GLU HG3 . 18484 1 807 . 1 1 87 87 GLU CA C 13 55.029 0.000 . . . . . A 87 GLU CA . 18484 1 808 . 1 1 87 87 GLU CB C 13 31.746 0.000 . . . . . A 87 GLU CB . 18484 1 809 . 1 1 87 87 GLU CG C 13 36.209 0.000 . . . . . A 87 GLU CG . 18484 1 810 . 1 1 87 87 GLU N N 15 126.429 0.000 . . . . . A 87 GLU N . 18484 1 811 . 1 1 88 88 THR H H 1 9.016 0.000 . . . . . A 88 THR H . 18484 1 812 . 1 1 88 88 THR HA H 1 4.450 0.000 . . . . . A 88 THR HA . 18484 1 813 . 1 1 88 88 THR HB H 1 3.955 0.000 . . . . . A 88 THR HB . 18484 1 814 . 1 1 88 88 THR HG21 H 1 1.111 0.000 . . . . . A 88 THR HG21 . 18484 1 815 . 1 1 88 88 THR HG22 H 1 1.111 0.000 . . . . . A 88 THR HG22 . 18484 1 816 . 1 1 88 88 THR HG23 H 1 1.111 0.000 . . . . . A 88 THR HG23 . 18484 1 817 . 1 1 88 88 THR CA C 13 60.472 0.000 . . . . . A 88 THR CA . 18484 1 818 . 1 1 88 88 THR CB C 13 70.646 0.000 . . . . . A 88 THR CB . 18484 1 819 . 1 1 88 88 THR CG2 C 13 21.864 0.000 . . . . . A 88 THR CG2 . 18484 1 820 . 1 1 88 88 THR N N 15 120.353 0.000 . . . . . A 88 THR N . 18484 1 821 . 1 1 89 89 VAL H H 1 9.054 0.000 . . . . . A 89 VAL H . 18484 1 822 . 1 1 89 89 VAL HA H 1 3.978 0.000 . . . . . A 89 VAL HA . 18484 1 823 . 1 1 89 89 VAL HB H 1 2.020 0.000 . . . . . A 89 VAL HB . 18484 1 824 . 1 1 89 89 VAL HG11 H 1 0.849 0.000 . . . . . A 89 VAL HG11 . 18484 1 825 . 1 1 89 89 VAL HG12 H 1 0.849 0.000 . . . . . A 89 VAL HG12 . 18484 1 826 . 1 1 89 89 VAL HG13 H 1 0.849 0.000 . . . . . A 89 VAL HG13 . 18484 1 827 . 1 1 89 89 VAL HG21 H 1 0.906 0.000 . . . . . A 89 VAL HG21 . 18484 1 828 . 1 1 89 89 VAL HG22 H 1 0.906 0.000 . . . . . A 89 VAL HG22 . 18484 1 829 . 1 1 89 89 VAL HG23 H 1 0.906 0.000 . . . . . A 89 VAL HG23 . 18484 1 830 . 1 1 89 89 VAL CA C 13 62.471 0.000 . . . . . A 89 VAL CA . 18484 1 831 . 1 1 89 89 VAL CB C 13 31.216 0.000 . . . . . A 89 VAL CB . 18484 1 832 . 1 1 89 89 VAL CG1 C 13 22.515 0.000 . . . . . A 89 VAL CG1 . 18484 1 833 . 1 1 89 89 VAL CG2 C 13 22.996 0.000 . . . . . A 89 VAL CG2 . 18484 1 834 . 1 1 89 89 VAL N N 15 128.484 0.000 . . . . . A 89 VAL N . 18484 1 835 . 1 1 90 90 LEU H H 1 9.426 0.000 . . . . . A 90 LEU H . 18484 1 836 . 1 1 90 90 LEU HA H 1 4.325 0.000 . . . . . A 90 LEU HA . 18484 1 837 . 1 1 90 90 LEU HB2 H 1 1.684 0.000 . . . . . A 90 LEU HB2 . 18484 1 838 . 1 1 90 90 LEU HB3 H 1 1.527 0.000 . . . . . A 90 LEU HB3 . 18484 1 839 . 1 1 90 90 LEU HG H 1 1.665 0.000 . . . . . A 90 LEU HG . 18484 1 840 . 1 1 90 90 LEU HD11 H 1 0.791 0.000 . . . . . A 90 LEU HD11 . 18484 1 841 . 1 1 90 90 LEU HD12 H 1 0.791 0.000 . . . . . A 90 LEU HD12 . 18484 1 842 . 1 1 90 90 LEU HD13 H 1 0.791 0.000 . . . . . A 90 LEU HD13 . 18484 1 843 . 1 1 90 90 LEU HD21 H 1 0.809 0.000 . . . . . A 90 LEU HD21 . 18484 1 844 . 1 1 90 90 LEU HD22 H 1 0.809 0.000 . . . . . A 90 LEU HD22 . 18484 1 845 . 1 1 90 90 LEU HD23 H 1 0.809 0.000 . . . . . A 90 LEU HD23 . 18484 1 846 . 1 1 90 90 LEU CA C 13 56.129 0.000 . . . . . A 90 LEU CA . 18484 1 847 . 1 1 90 90 LEU CB C 13 42.958 0.000 . . . . . A 90 LEU CB . 18484 1 848 . 1 1 90 90 LEU CG C 13 26.770 0.000 . . . . . A 90 LEU CG . 18484 1 849 . 1 1 90 90 LEU CD1 C 13 22.579 0.000 . . . . . A 90 LEU CD1 . 18484 1 850 . 1 1 90 90 LEU CD2 C 13 23.012 0.000 . . . . . A 90 LEU CD2 . 18484 1 851 . 1 1 90 90 LEU N N 15 130.587 0.000 . . . . . A 90 LEU N . 18484 1 852 . 1 1 91 91 ASP H H 1 7.924 0.000 . . . . . A 91 ASP H . 18484 1 853 . 1 1 91 91 ASP HA H 1 4.846 0.000 . . . . . A 91 ASP HA . 18484 1 854 . 1 1 91 91 ASP HB2 H 1 2.836 0.000 . . . . . A 91 ASP HB2 . 18484 1 855 . 1 1 91 91 ASP HB3 H 1 2.373 0.000 . . . . . A 91 ASP HB3 . 18484 1 856 . 1 1 91 91 ASP CA C 13 53.688 0.000 . . . . . A 91 ASP CA . 18484 1 857 . 1 1 91 91 ASP CB C 13 43.521 0.000 . . . . . A 91 ASP CB . 18484 1 858 . 1 1 91 91 ASP N N 15 114.928 0.000 . . . . . A 91 ASP N . 18484 1 859 . 1 1 92 92 SER H H 1 8.376 0.000 . . . . . A 92 SER H . 18484 1 860 . 1 1 92 92 SER HA H 1 5.519 0.000 . . . . . A 92 SER HA . 18484 1 861 . 1 1 92 92 SER HB2 H 1 3.615 0.000 . . . . . A 92 SER HB2 . 18484 1 862 . 1 1 92 92 SER HB3 H 1 3.546 0.000 . . . . . A 92 SER HB3 . 18484 1 863 . 1 1 92 92 SER CA C 13 56.622 0.000 . . . . . A 92 SER CA . 18484 1 864 . 1 1 92 92 SER CB C 13 63.359 0.000 . . . . . A 92 SER CB . 18484 1 865 . 1 1 92 92 SER N N 15 117.203 0.000 . . . . . A 92 SER N . 18484 1 866 . 1 1 93 93 GLN H H 1 9.005 0.000 . . . . . A 93 GLN H . 18484 1 867 . 1 1 93 93 GLN HA H 1 4.731 0.000 . . . . . A 93 GLN HA . 18484 1 868 . 1 1 93 93 GLN HB2 H 1 2.116 0.000 . . . . . A 93 GLN HB2 . 18484 1 869 . 1 1 93 93 GLN HB3 H 1 1.830 0.000 . . . . . A 93 GLN HB3 . 18484 1 870 . 1 1 93 93 GLN HG2 H 1 2.288 0.000 . . . . . A 93 GLN HG2 . 18484 1 871 . 1 1 93 93 GLN HG3 H 1 2.288 0.000 . . . . . A 93 GLN HG3 . 18484 1 872 . 1 1 93 93 GLN HE21 H 1 7.970 0.000 . . . . . A 93 GLN HE21 . 18484 1 873 . 1 1 93 93 GLN HE22 H 1 6.685 0.000 . . . . . A 93 GLN HE22 . 18484 1 874 . 1 1 93 93 GLN CA C 13 54.781 0.000 . . . . . A 93 GLN CA . 18484 1 875 . 1 1 93 93 GLN CB C 13 33.312 0.000 . . . . . A 93 GLN CB . 18484 1 876 . 1 1 93 93 GLN CG C 13 33.579 0.000 . . . . . A 93 GLN CG . 18484 1 877 . 1 1 93 93 GLN N N 15 122.058 0.000 . . . . . A 93 GLN N . 18484 1 878 . 1 1 93 93 GLN NE2 N 15 113.504 0.000 . . . . . A 93 GLN NE2 . 18484 1 879 . 1 1 94 94 VAL H H 1 9.085 0.000 . . . . . A 94 VAL H . 18484 1 880 . 1 1 94 94 VAL HA H 1 4.233 0.000 . . . . . A 94 VAL HA . 18484 1 881 . 1 1 94 94 VAL HB H 1 2.061 0.000 . . . . . A 94 VAL HB . 18484 1 882 . 1 1 94 94 VAL HG11 H 1 0.872 0.000 . . . . . A 94 VAL HG11 . 18484 1 883 . 1 1 94 94 VAL HG12 H 1 0.872 0.000 . . . . . A 94 VAL HG12 . 18484 1 884 . 1 1 94 94 VAL HG13 H 1 0.872 0.000 . . . . . A 94 VAL HG13 . 18484 1 885 . 1 1 94 94 VAL HG21 H 1 0.990 0.000 . . . . . A 94 VAL HG21 . 18484 1 886 . 1 1 94 94 VAL HG22 H 1 0.990 0.000 . . . . . A 94 VAL HG22 . 18484 1 887 . 1 1 94 94 VAL HG23 H 1 0.990 0.000 . . . . . A 94 VAL HG23 . 18484 1 888 . 1 1 94 94 VAL CA C 13 63.282 0.000 . . . . . A 94 VAL CA . 18484 1 889 . 1 1 94 94 VAL CB C 13 30.906 0.000 . . . . . A 94 VAL CB . 18484 1 890 . 1 1 94 94 VAL CG1 C 13 22.274 0.000 . . . . . A 94 VAL CG1 . 18484 1 891 . 1 1 94 94 VAL CG2 C 13 22.996 0.000 . . . . . A 94 VAL CG2 . 18484 1 892 . 1 1 94 94 VAL N N 15 125.231 0.000 . . . . . A 94 VAL N . 18484 1 893 . 1 1 95 95 THR H H 1 8.521 0.000 . . . . . A 95 THR H . 18484 1 894 . 1 1 95 95 THR HA H 1 4.384 0.000 . . . . . A 95 THR HA . 18484 1 895 . 1 1 95 95 THR HB H 1 4.129 0.000 . . . . . A 95 THR HB . 18484 1 896 . 1 1 95 95 THR HG21 H 1 1.161 0.000 . . . . . A 95 THR HG21 . 18484 1 897 . 1 1 95 95 THR HG22 H 1 1.161 0.000 . . . . . A 95 THR HG22 . 18484 1 898 . 1 1 95 95 THR HG23 H 1 1.161 0.000 . . . . . A 95 THR HG23 . 18484 1 899 . 1 1 95 95 THR CA C 13 60.953 0.000 . . . . . A 95 THR CA . 18484 1 900 . 1 1 95 95 THR CB C 13 68.653 0.000 . . . . . A 95 THR CB . 18484 1 901 . 1 1 95 95 THR CG2 C 13 22.114 0.000 . . . . . A 95 THR CG2 . 18484 1 902 . 1 1 95 95 THR N N 15 121.170 0.000 . . . . . A 95 THR N . 18484 1 903 . 1 1 96 96 LYS H H 1 7.912 0.000 . . . . . A 96 LYS H . 18484 1 904 . 1 1 96 96 LYS HA H 1 4.418 0.000 . . . . . A 96 LYS HA . 18484 1 905 . 1 1 96 96 LYS HB2 H 1 1.733 0.000 . . . . . A 96 LYS HB2 . 18484 1 906 . 1 1 96 96 LYS HB3 H 1 1.733 0.000 . . . . . A 96 LYS HB3 . 18484 1 907 . 1 1 96 96 LYS HG2 H 1 1.425 0.000 . . . . . A 96 LYS HG2 . 18484 1 908 . 1 1 96 96 LYS HG3 H 1 1.425 0.000 . . . . . A 96 LYS HG3 . 18484 1 909 . 1 1 96 96 LYS HD2 H 1 1.627 0.000 . . . . . A 96 LYS HD2 . 18484 1 910 . 1 1 96 96 LYS HD3 H 1 1.576 0.000 . . . . . A 96 LYS HD3 . 18484 1 911 . 1 1 96 96 LYS HE2 H 1 2.940 0.000 . . . . . A 96 LYS HE2 . 18484 1 912 . 1 1 96 96 LYS HE3 H 1 2.940 0.000 . . . . . A 96 LYS HE3 . 18484 1 913 . 1 1 96 96 LYS CA C 13 56.418 0.000 . . . . . A 96 LYS CA . 18484 1 914 . 1 1 96 96 LYS CB C 13 35.690 0.000 . . . . . A 96 LYS CB . 18484 1 915 . 1 1 96 96 LYS CG C 13 26.364 0.000 . . . . . A 96 LYS CG . 18484 1 916 . 1 1 96 96 LYS CD C 13 29.532 0.000 . . . . . A 96 LYS CD . 18484 1 917 . 1 1 96 96 LYS CE C 13 41.849 0.000 . . . . . A 96 LYS CE . 18484 1 918 . 1 1 96 96 LYS N N 15 123.236 0.000 . . . . . A 96 LYS N . 18484 1 919 . 1 1 97 97 GLU H H 1 8.665 0.000 . . . . . A 97 GLU H . 18484 1 920 . 1 1 97 97 GLU HA H 1 4.151 0.000 . . . . . A 97 GLU HA . 18484 1 921 . 1 1 97 97 GLU HB2 H 1 1.966 0.000 . . . . . A 97 GLU HB2 . 18484 1 922 . 1 1 97 97 GLU HB3 H 1 1.806 0.000 . . . . . A 97 GLU HB3 . 18484 1 923 . 1 1 97 97 GLU HG2 H 1 2.327 0.000 . . . . . A 97 GLU HG2 . 18484 1 924 . 1 1 97 97 GLU HG3 H 1 2.263 0.000 . . . . . A 97 GLU HG3 . 18484 1 925 . 1 1 97 97 GLU CA C 13 56.412 0.000 . . . . . A 97 GLU CA . 18484 1 926 . 1 1 97 97 GLU CB C 13 29.948 0.000 . . . . . A 97 GLU CB . 18484 1 927 . 1 1 97 97 GLU CG C 13 36.023 0.000 . . . . . A 97 GLU CG . 18484 1 928 . 1 1 97 97 GLU N N 15 125.835 0.000 . . . . . A 97 GLU N . 18484 1 929 . 1 1 98 98 VAL H H 1 8.339 0.000 . . . . . A 98 VAL H . 18484 1 930 . 1 1 98 98 VAL HA H 1 3.915 0.000 . . . . . A 98 VAL HA . 18484 1 931 . 1 1 98 98 VAL HB H 1 1.844 0.000 . . . . . A 98 VAL HB . 18484 1 932 . 1 1 98 98 VAL HG11 H 1 1.000 0.000 . . . . . A 98 VAL HG11 . 18484 1 933 . 1 1 98 98 VAL HG12 H 1 1.000 0.000 . . . . . A 98 VAL HG12 . 18484 1 934 . 1 1 98 98 VAL HG13 H 1 1.000 0.000 . . . . . A 98 VAL HG13 . 18484 1 935 . 1 1 98 98 VAL HG21 H 1 1.087 0.000 . . . . . A 98 VAL HG21 . 18484 1 936 . 1 1 98 98 VAL HG22 H 1 1.087 0.000 . . . . . A 98 VAL HG22 . 18484 1 937 . 1 1 98 98 VAL HG23 H 1 1.087 0.000 . . . . . A 98 VAL HG23 . 18484 1 938 . 1 1 98 98 VAL CA C 13 60.208 0.000 . . . . . A 98 VAL CA . 18484 1 939 . 1 1 98 98 VAL CB C 13 33.692 0.000 . . . . . A 98 VAL CB . 18484 1 940 . 1 1 98 98 VAL CG1 C 13 22.274 0.000 . . . . . A 98 VAL CG1 . 18484 1 941 . 1 1 98 98 VAL CG2 C 13 22.836 0.000 . . . . . A 98 VAL CG2 . 18484 1 942 . 1 1 98 98 VAL N N 15 122.204 0.000 . . . . . A 98 VAL N . 18484 1 943 . 1 1 99 99 ILE H H 1 8.608 0.000 . . . . . A 99 ILE H . 18484 1 944 . 1 1 99 99 ILE HA H 1 4.197 0.000 . . . . . A 99 ILE HA . 18484 1 945 . 1 1 99 99 ILE HB H 1 1.702 0.000 . . . . . A 99 ILE HB . 18484 1 946 . 1 1 99 99 ILE HG12 H 1 1.439 0.000 . . . . . A 99 ILE HG12 . 18484 1 947 . 1 1 99 99 ILE HG13 H 1 1.010 0.000 . . . . . A 99 ILE HG13 . 18484 1 948 . 1 1 99 99 ILE HG21 H 1 0.826 0.000 . . . . . A 99 ILE HG21 . 18484 1 949 . 1 1 99 99 ILE HG22 H 1 0.826 0.000 . . . . . A 99 ILE HG22 . 18484 1 950 . 1 1 99 99 ILE HG23 H 1 0.826 0.000 . . . . . A 99 ILE HG23 . 18484 1 951 . 1 1 99 99 ILE HD11 H 1 0.775 0.000 . . . . . A 99 ILE HD11 . 18484 1 952 . 1 1 99 99 ILE HD12 H 1 0.775 0.000 . . . . . A 99 ILE HD12 . 18484 1 953 . 1 1 99 99 ILE HD13 H 1 0.775 0.000 . . . . . A 99 ILE HD13 . 18484 1 954 . 1 1 99 99 ILE CA C 13 60.606 0.000 . . . . . A 99 ILE CA . 18484 1 955 . 1 1 99 99 ILE CB C 13 39.186 0.000 . . . . . A 99 ILE CB . 18484 1 956 . 1 1 99 99 ILE CG1 C 13 26.744 0.000 . . . . . A 99 ILE CG1 . 18484 1 957 . 1 1 99 99 ILE CG2 C 13 17.943 0.000 . . . . . A 99 ILE CG2 . 18484 1 958 . 1 1 99 99 ILE CD1 C 13 13.371 0.000 . . . . . A 99 ILE CD1 . 18484 1 959 . 1 1 99 99 ILE N N 15 127.874 0.000 . . . . . A 99 ILE N . 18484 1 960 . 1 1 100 100 ASN H H 1 8.446 0.000 . . . . . A 100 ASN H . 18484 1 961 . 1 1 100 100 ASN HA H 1 4.914 0.000 . . . . . A 100 ASN HA . 18484 1 962 . 1 1 100 100 ASN HB2 H 1 2.578 0.000 . . . . . A 100 ASN HB2 . 18484 1 963 . 1 1 100 100 ASN HB3 H 1 2.465 0.000 . . . . . A 100 ASN HB3 . 18484 1 964 . 1 1 100 100 ASN HD21 H 1 7.536 0.000 . . . . . A 100 ASN HD21 . 18484 1 965 . 1 1 100 100 ASN HD22 H 1 6.847 0.000 . . . . . A 100 ASN HD22 . 18484 1 966 . 1 1 100 100 ASN CA C 13 53.704 0.000 . . . . . A 100 ASN CA . 18484 1 967 . 1 1 100 100 ASN CB C 13 37.731 0.000 . . . . . A 100 ASN CB . 18484 1 968 . 1 1 100 100 ASN N N 15 123.343 0.000 . . . . . A 100 ASN N . 18484 1 969 . 1 1 100 100 ASN ND2 N 15 112.632 0.000 . . . . . A 100 ASN ND2 . 18484 1 970 . 1 1 101 101 GLN H H 1 8.254 0.000 . . . . . A 101 GLN H . 18484 1 971 . 1 1 101 101 GLN HA H 1 4.325 0.000 . . . . . A 101 GLN HA . 18484 1 972 . 1 1 101 101 GLN HB2 H 1 2.149 0.000 . . . . . A 101 GLN HB2 . 18484 1 973 . 1 1 101 101 GLN HB3 H 1 1.466 0.000 . . . . . A 101 GLN HB3 . 18484 1 974 . 1 1 101 101 GLN HG2 H 1 2.682 0.000 . . . . . A 101 GLN HG2 . 18484 1 975 . 1 1 101 101 GLN HG3 H 1 1.982 0.000 . . . . . A 101 GLN HG3 . 18484 1 976 . 1 1 101 101 GLN HE21 H 1 7.225 0.000 . . . . . A 101 GLN HE21 . 18484 1 977 . 1 1 101 101 GLN HE22 H 1 6.797 0.000 . . . . . A 101 GLN HE22 . 18484 1 978 . 1 1 101 101 GLN CA C 13 54.659 0.000 . . . . . A 101 GLN CA . 18484 1 979 . 1 1 101 101 GLN CB C 13 31.616 0.000 . . . . . A 101 GLN CB . 18484 1 980 . 1 1 101 101 GLN CG C 13 33.596 0.000 . . . . . A 101 GLN CG . 18484 1 981 . 1 1 101 101 GLN N N 15 120.980 0.000 . . . . . A 101 GLN N . 18484 1 982 . 1 1 101 101 GLN NE2 N 15 112.642 0.000 . . . . . A 101 GLN NE2 . 18484 1 983 . 1 1 102 102 VAL H H 1 8.742 0.000 . . . . . A 102 VAL H . 18484 1 984 . 1 1 102 102 VAL HA H 1 4.965 0.000 . . . . . A 102 VAL HA . 18484 1 985 . 1 1 102 102 VAL HB H 1 1.780 0.000 . . . . . A 102 VAL HB . 18484 1 986 . 1 1 102 102 VAL HG11 H 1 0.865 0.000 . . . . . A 102 VAL HG11 . 18484 1 987 . 1 1 102 102 VAL HG12 H 1 0.865 0.000 . . . . . A 102 VAL HG12 . 18484 1 988 . 1 1 102 102 VAL HG13 H 1 0.865 0.000 . . . . . A 102 VAL HG13 . 18484 1 989 . 1 1 102 102 VAL HG21 H 1 0.850 0.000 . . . . . A 102 VAL HG21 . 18484 1 990 . 1 1 102 102 VAL HG22 H 1 0.850 0.000 . . . . . A 102 VAL HG22 . 18484 1 991 . 1 1 102 102 VAL HG23 H 1 0.850 0.000 . . . . . A 102 VAL HG23 . 18484 1 992 . 1 1 102 102 VAL CA C 13 60.264 0.000 . . . . . A 102 VAL CA . 18484 1 993 . 1 1 102 102 VAL CB C 13 33.626 0.000 . . . . . A 102 VAL CB . 18484 1 994 . 1 1 102 102 VAL CG1 C 13 21.793 0.000 . . . . . A 102 VAL CG1 . 18484 1 995 . 1 1 102 102 VAL CG2 C 13 22.515 0.000 . . . . . A 102 VAL CG2 . 18484 1 996 . 1 1 102 102 VAL N N 15 127.057 0.000 . . . . . A 102 VAL N . 18484 1 997 . 1 1 103 103 VAL H H 1 9.160 0.000 . . . . . A 103 VAL H . 18484 1 998 . 1 1 103 103 VAL HA H 1 4.812 0.000 . . . . . A 103 VAL HA . 18484 1 999 . 1 1 103 103 VAL HB H 1 1.867 0.000 . . . . . A 103 VAL HB . 18484 1 1000 . 1 1 103 103 VAL HG11 H 1 0.880 0.000 . . . . . A 103 VAL HG11 . 18484 1 1001 . 1 1 103 103 VAL HG12 H 1 0.880 0.000 . . . . . A 103 VAL HG12 . 18484 1 1002 . 1 1 103 103 VAL HG13 H 1 0.880 0.000 . . . . . A 103 VAL HG13 . 18484 1 1003 . 1 1 103 103 VAL HG21 H 1 0.842 0.000 . . . . . A 103 VAL HG21 . 18484 1 1004 . 1 1 103 103 VAL HG22 H 1 0.842 0.000 . . . . . A 103 VAL HG22 . 18484 1 1005 . 1 1 103 103 VAL HG23 H 1 0.842 0.000 . . . . . A 103 VAL HG23 . 18484 1 1006 . 1 1 103 103 VAL CA C 13 58.547 0.000 . . . . . A 103 VAL CA . 18484 1 1007 . 1 1 103 103 VAL CB C 13 35.718 0.000 . . . . . A 103 VAL CB . 18484 1 1008 . 1 1 103 103 VAL CG1 C 13 23.888 0.000 . . . . . A 103 VAL CG1 . 18484 1 1009 . 1 1 103 103 VAL CG2 C 13 22.888 0.000 . . . . . A 103 VAL CG2 . 18484 1 1010 . 1 1 103 103 VAL N N 15 127.794 0.000 . . . . . A 103 VAL N . 18484 1 1011 . 1 1 104 104 GLU H H 1 9.085 0.000 . . . . . A 104 GLU H . 18484 1 1012 . 1 1 104 104 GLU HA H 1 5.513 0.000 . . . . . A 104 GLU HA . 18484 1 1013 . 1 1 104 104 GLU HB2 H 1 1.937 0.000 . . . . . A 104 GLU HB2 . 18484 1 1014 . 1 1 104 104 GLU HB3 H 1 1.937 0.000 . . . . . A 104 GLU HB3 . 18484 1 1015 . 1 1 104 104 GLU HG2 H 1 2.330 0.000 . . . . . A 104 GLU HG2 . 18484 1 1016 . 1 1 104 104 GLU HG3 H 1 2.255 0.000 . . . . . A 104 GLU HG3 . 18484 1 1017 . 1 1 104 104 GLU CA C 13 53.721 0.000 . . . . . A 104 GLU CA . 18484 1 1018 . 1 1 104 104 GLU CB C 13 32.383 0.000 . . . . . A 104 GLU CB . 18484 1 1019 . 1 1 104 104 GLU CG C 13 37.237 0.000 . . . . . A 104 GLU CG . 18484 1 1020 . 1 1 104 104 GLU N N 15 125.160 0.000 . . . . . A 104 GLU N . 18484 1 1021 . 1 1 105 105 VAL H H 1 8.536 0.000 . . . . . A 105 VAL H . 18484 1 1022 . 1 1 105 105 VAL HA H 1 5.241 0.000 . . . . . A 105 VAL HA . 18484 1 1023 . 1 1 105 105 VAL HB H 1 2.014 0.000 . . . . . A 105 VAL HB . 18484 1 1024 . 1 1 105 105 VAL HG11 H 1 0.814 0.000 . . . . . A 105 VAL HG11 . 18484 1 1025 . 1 1 105 105 VAL HG12 H 1 0.814 0.000 . . . . . A 105 VAL HG12 . 18484 1 1026 . 1 1 105 105 VAL HG13 H 1 0.814 0.000 . . . . . A 105 VAL HG13 . 18484 1 1027 . 1 1 105 105 VAL HG21 H 1 0.873 0.000 . . . . . A 105 VAL HG21 . 18484 1 1028 . 1 1 105 105 VAL HG22 H 1 0.873 0.000 . . . . . A 105 VAL HG22 . 18484 1 1029 . 1 1 105 105 VAL HG23 H 1 0.873 0.000 . . . . . A 105 VAL HG23 . 18484 1 1030 . 1 1 105 105 VAL CA C 13 57.055 0.000 . . . . . A 105 VAL CA . 18484 1 1031 . 1 1 105 105 VAL CB C 13 35.204 0.000 . . . . . A 105 VAL CB . 18484 1 1032 . 1 1 105 105 VAL CG1 C 13 21.467 0.000 . . . . . A 105 VAL CG1 . 18484 1 1033 . 1 1 105 105 VAL CG2 C 13 22.755 0.000 . . . . . A 105 VAL CG2 . 18484 1 1034 . 1 1 105 105 VAL N N 15 117.602 0.000 . . . . . A 105 VAL N . 18484 1 1035 . 1 1 106 106 GLY H H 1 8.635 0.000 . . . . . A 106 GLY H . 18484 1 1036 . 1 1 106 106 GLY HA2 H 1 4.402 0.000 . . . . . A 106 GLY HA2 . 18484 1 1037 . 1 1 106 106 GLY HA3 H 1 3.692 0.000 . . . . . A 106 GLY HA3 . 18484 1 1038 . 1 1 106 106 GLY CA C 13 46.117 0.000 . . . . . A 106 GLY CA . 18484 1 1039 . 1 1 106 106 GLY N N 15 111.023 0.000 . . . . . A 106 GLY N . 18484 1 1040 . 1 1 107 107 ALA H H 1 7.929 0.000 . . . . . A 107 ALA H . 18484 1 1041 . 1 1 107 107 ALA HA H 1 4.515 0.000 . . . . . A 107 ALA HA . 18484 1 1042 . 1 1 107 107 ALA HB1 H 1 1.278 0.000 . . . . . A 107 ALA HB1 . 18484 1 1043 . 1 1 107 107 ALA HB2 H 1 1.278 0.000 . . . . . A 107 ALA HB2 . 18484 1 1044 . 1 1 107 107 ALA HB3 H 1 1.278 0.000 . . . . . A 107 ALA HB3 . 18484 1 1045 . 1 1 107 107 ALA CA C 13 50.477 0.000 . . . . . A 107 ALA CA . 18484 1 1046 . 1 1 107 107 ALA CB C 13 19.924 0.000 . . . . . A 107 ALA CB . 18484 1 1047 . 1 1 107 107 ALA N N 15 127.369 0.000 . . . . . A 107 ALA N . 18484 1 1048 . 1 1 108 108 PRO HA H 1 4.494 0.000 . . . . . A 108 PRO HA . 18484 1 1049 . 1 1 108 108 PRO HB2 H 1 1.851 0.000 . . . . . A 108 PRO HB2 . 18484 1 1050 . 1 1 108 108 PRO HB3 H 1 2.265 0.000 . . . . . A 108 PRO HB3 . 18484 1 1051 . 1 1 108 108 PRO HG2 H 1 1.994 0.000 . . . . . A 108 PRO HG2 . 18484 1 1052 . 1 1 108 108 PRO HG3 H 1 1.994 0.000 . . . . . A 108 PRO HG3 . 18484 1 1053 . 1 1 108 108 PRO HD2 H 1 3.718 0.000 . . . . . A 108 PRO HD2 . 18484 1 1054 . 1 1 108 108 PRO HD3 H 1 3.573 0.000 . . . . . A 108 PRO HD3 . 18484 1 1055 . 1 1 108 108 PRO CA C 13 61.698 0.000 . . . . . A 108 PRO CA . 18484 1 1056 . 1 1 108 108 PRO CB C 13 31.900 0.000 . . . . . A 108 PRO CB . 18484 1 1057 . 1 1 108 108 PRO CG C 13 27.321 0.000 . . . . . A 108 PRO CG . 18484 1 1058 . 1 1 108 108 PRO CD C 13 49.921 0.000 . . . . . A 108 PRO CD . 18484 1 1059 . 1 1 109 109 VAL H H 1 8.303 0.000 . . . . . A 109 VAL H . 18484 1 1060 . 1 1 109 109 VAL HA H 1 4.092 0.000 . . . . . A 109 VAL HA . 18484 1 1061 . 1 1 109 109 VAL HB H 1 1.997 0.000 . . . . . A 109 VAL HB . 18484 1 1062 . 1 1 109 109 VAL HG11 H 1 0.867 0.000 . . . . . A 109 VAL HG11 . 18484 1 1063 . 1 1 109 109 VAL HG12 H 1 0.867 0.000 . . . . . A 109 VAL HG12 . 18484 1 1064 . 1 1 109 109 VAL HG13 H 1 0.867 0.000 . . . . . A 109 VAL HG13 . 18484 1 1065 . 1 1 109 109 VAL HG21 H 1 0.900 0.000 . . . . . A 109 VAL HG21 . 18484 1 1066 . 1 1 109 109 VAL HG22 H 1 0.900 0.000 . . . . . A 109 VAL HG22 . 18484 1 1067 . 1 1 109 109 VAL HG23 H 1 0.900 0.000 . . . . . A 109 VAL HG23 . 18484 1 1068 . 1 1 109 109 VAL CA C 13 60.949 0.000 . . . . . A 109 VAL CA . 18484 1 1069 . 1 1 109 109 VAL CB C 13 32.389 0.000 . . . . . A 109 VAL CB . 18484 1 1070 . 1 1 109 109 VAL CG1 C 13 21.499 0.000 . . . . . A 109 VAL CG1 . 18484 1 1071 . 1 1 109 109 VAL CG2 C 13 21.499 0.000 . . . . . A 109 VAL CG2 . 18484 1 1072 . 1 1 109 109 VAL N N 15 119.821 0.000 . . . . . A 109 VAL N . 18484 1 1073 . 1 1 110 110 THR H H 1 8.209 0.000 . . . . . A 110 THR H . 18484 1 1074 . 1 1 110 110 THR HA H 1 4.338 0.000 . . . . . A 110 THR HA . 18484 1 1075 . 1 1 110 110 THR HB H 1 4.174 0.000 . . . . . A 110 THR HB . 18484 1 1076 . 1 1 110 110 THR HG21 H 1 1.136 0.000 . . . . . A 110 THR HG21 . 18484 1 1077 . 1 1 110 110 THR HG22 H 1 1.136 0.000 . . . . . A 110 THR HG22 . 18484 1 1078 . 1 1 110 110 THR HG23 H 1 1.136 0.000 . . . . . A 110 THR HG23 . 18484 1 1079 . 1 1 110 110 THR CA C 13 59.028 0.000 . . . . . A 110 THR CA . 18484 1 1080 . 1 1 110 110 THR CB C 13 67.676 0.000 . . . . . A 110 THR CB . 18484 1 1081 . 1 1 110 110 THR CG2 C 13 22.294 0.000 . . . . . A 110 THR CG2 . 18484 1 1082 . 1 1 110 110 THR N N 15 118.171 0.000 . . . . . A 110 THR N . 18484 1 1083 . 1 1 111 111 HIS H H 1 8.024 0.000 . . . . . A 111 HIS H . 18484 1 1084 . 1 1 111 111 HIS HA H 1 4.608 0.000 . . . . . A 111 HIS HA . 18484 1 1085 . 1 1 111 111 HIS HB2 H 1 3.199 0.000 . . . . . A 111 HIS HB2 . 18484 1 1086 . 1 1 111 111 HIS HB3 H 1 3.032 0.000 . . . . . A 111 HIS HB3 . 18484 1 1087 . 1 1 111 111 HIS CA C 13 56.223 0.000 . . . . . A 111 HIS CA . 18484 1 1088 . 1 1 111 111 HIS CB C 13 30.440 0.000 . . . . . A 111 HIS CB . 18484 1 1089 . 1 1 111 111 HIS N N 15 126.003 0.000 . . . . . A 111 HIS N . 18484 1 stop_ save_