data_10097 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10097 _Entry.Title ; Solution Structure of the SH3 Domain Binding Glutamic Acid-rich Protein Like 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-13 _Entry.Last_release_date 2008-08-15 _Entry.Original_release_date 2008-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 10097 2 T. Kigawa . . . 10097 3 S. Koshiba . . . 10097 4 N. Kobayashi . . . 10097 5 N. Tochio . . . 10097 6 M. Inoue . . . 10097 7 S. Yokoyama . . . 10097 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10097 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10097 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 430 10097 '15N chemical shifts' 110 10097 '1H chemical shifts' 696 10097 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-15 2007-02-13 original author . 10097 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1J0F 'BMRB Entry Tracking System' 10097 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10097 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the SH3 Domain Binding Glutamic Acid-rich Protein Like 3' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 10097 1 2 T. Kigawa . . . 10097 1 3 S. Koshiba . . . 10097 1 4 N. Kobayashi . . . 10097 1 5 N. Tochio . . . 10097 1 6 M. Inoue . . . 10097 1 7 S. Yokoyama . . . 10097 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10097 _Assembly.ID 1 _Assembly.Name 'SH3 domain-binding glutamic acid-rich-like protein 3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10097 1 stop_ 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 'SH3 domain-binding glutamic acid-rich-like protein 3' 1 $entity_1 . . yes native no no . . . 10097 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1J0F . . . . . . 10097 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10097 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain-binding glutamic acid-rich-like protein 3 (SH3BGR)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSEGAATMSGLRVYSTSVTG SREIKSQQSEVTRILDGKRI QYQLVDISQDNALRDEMRTL AGNPKATPPQIVNGNHYCGD YELFVEAVEQDTLQEFLKLA ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1J0F . "Solution Structure Of The Sh3 Domain Binding Glutamic Acid- Rich Protein Like 3" . . . . . 100.00 100 100.00 100.00 1.83e-66 . . . . 10097 1 2 no PDB 1T1V . "Crystal Structure Of The Glutaredoxin-Like Protein Sh3bgrl3 At 1.6 A Resolution" . . . . . 93.00 93 100.00 100.00 2.93e-61 . . . . 10097 1 3 no DBJ BAC25034 . "unnamed protein product [Mus musculus]" . . . . . 93.00 93 100.00 100.00 2.93e-61 . . . . 10097 1 4 no GB AAH08110 . "SH3 domain binding glutamic acid-rich protein-like 3 [Mus musculus]" . . . . . 93.00 93 100.00 100.00 2.93e-61 . . . . 10097 1 5 no GB AAI67002 . "SH3 domain binding glutamic acid-rich protein-like 3 [Rattus norvegicus]" . . . . . 93.00 93 97.85 100.00 8.69e-60 . . . . 10097 1 6 no GB EDL30032 . "SH3 domain binding glutamic acid-rich protein-like 3, isoform CRA_b [Mus musculus]" . . . . . 93.00 93 100.00 100.00 2.93e-61 . . . . 10097 1 7 no GB EDL80707 . "SH3 domain binding glutamic acid-rich protein-like 3 (predicted), isoform CRA_b [Rattus norvegicus]" . . . . . 93.00 93 97.85 100.00 8.69e-60 . . . . 10097 1 8 no REF NP_001100158 . "SH3 domain-binding glutamic acid-rich-like protein 3 [Rattus norvegicus]" . . . . . 93.00 93 97.85 100.00 8.69e-60 . . . . 10097 1 9 no REF NP_542126 . "SH3 domain-binding glutamic acid-rich-like protein 3 [Mus musculus]" . . . . . 93.00 93 100.00 100.00 2.93e-61 . . . . 10097 1 10 no SP Q91VW3 . "RecName: Full=SH3 domain-binding glutamic acid-rich-like protein 3" . . . . . 93.00 93 100.00 100.00 2.93e-61 . . . . 10097 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain-binding glutamic acid-rich-like protein 3' . 10097 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10097 1 2 . SER . 10097 1 3 . GLU . 10097 1 4 . GLY . 10097 1 5 . ALA . 10097 1 6 . ALA . 10097 1 7 . THR . 10097 1 8 . MET . 10097 1 9 . SER . 10097 1 10 . GLY . 10097 1 11 . LEU . 10097 1 12 . ARG . 10097 1 13 . VAL . 10097 1 14 . TYR . 10097 1 15 . SER . 10097 1 16 . THR . 10097 1 17 . SER . 10097 1 18 . VAL . 10097 1 19 . THR . 10097 1 20 . GLY . 10097 1 21 . SER . 10097 1 22 . ARG . 10097 1 23 . GLU . 10097 1 24 . ILE . 10097 1 25 . LYS . 10097 1 26 . SER . 10097 1 27 . GLN . 10097 1 28 . GLN . 10097 1 29 . SER . 10097 1 30 . GLU . 10097 1 31 . VAL . 10097 1 32 . THR . 10097 1 33 . ARG . 10097 1 34 . ILE . 10097 1 35 . LEU . 10097 1 36 . ASP . 10097 1 37 . GLY . 10097 1 38 . LYS . 10097 1 39 . ARG . 10097 1 40 . ILE . 10097 1 41 . GLN . 10097 1 42 . TYR . 10097 1 43 . GLN . 10097 1 44 . LEU . 10097 1 45 . VAL . 10097 1 46 . ASP . 10097 1 47 . ILE . 10097 1 48 . SER . 10097 1 49 . GLN . 10097 1 50 . ASP . 10097 1 51 . ASN . 10097 1 52 . ALA . 10097 1 53 . LEU . 10097 1 54 . ARG . 10097 1 55 . ASP . 10097 1 56 . GLU . 10097 1 57 . MET . 10097 1 58 . ARG . 10097 1 59 . THR . 10097 1 60 . LEU . 10097 1 61 . ALA . 10097 1 62 . GLY . 10097 1 63 . ASN . 10097 1 64 . PRO . 10097 1 65 . LYS . 10097 1 66 . ALA . 10097 1 67 . THR . 10097 1 68 . PRO . 10097 1 69 . PRO . 10097 1 70 . GLN . 10097 1 71 . ILE . 10097 1 72 . VAL . 10097 1 73 . ASN . 10097 1 74 . GLY . 10097 1 75 . ASN . 10097 1 76 . HIS . 10097 1 77 . TYR . 10097 1 78 . CYS . 10097 1 79 . GLY . 10097 1 80 . ASP . 10097 1 81 . TYR . 10097 1 82 . GLU . 10097 1 83 . LEU . 10097 1 84 . PHE . 10097 1 85 . VAL . 10097 1 86 . GLU . 10097 1 87 . ALA . 10097 1 88 . VAL . 10097 1 89 . GLU . 10097 1 90 . GLN . 10097 1 91 . ASP . 10097 1 92 . THR . 10097 1 93 . LEU . 10097 1 94 . GLN . 10097 1 95 . GLU . 10097 1 96 . PHE . 10097 1 97 . LEU . 10097 1 98 . LYS . 10097 1 99 . LEU . 10097 1 100 . ALA . 10097 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10097 1 . SER 2 2 10097 1 . GLU 3 3 10097 1 . GLY 4 4 10097 1 . ALA 5 5 10097 1 . ALA 6 6 10097 1 . THR 7 7 10097 1 . MET 8 8 10097 1 . SER 9 9 10097 1 . GLY 10 10 10097 1 . LEU 11 11 10097 1 . ARG 12 12 10097 1 . VAL 13 13 10097 1 . TYR 14 14 10097 1 . SER 15 15 10097 1 . THR 16 16 10097 1 . SER 17 17 10097 1 . VAL 18 18 10097 1 . THR 19 19 10097 1 . GLY 20 20 10097 1 . SER 21 21 10097 1 . ARG 22 22 10097 1 . GLU 23 23 10097 1 . ILE 24 24 10097 1 . LYS 25 25 10097 1 . SER 26 26 10097 1 . GLN 27 27 10097 1 . GLN 28 28 10097 1 . SER 29 29 10097 1 . GLU 30 30 10097 1 . VAL 31 31 10097 1 . THR 32 32 10097 1 . ARG 33 33 10097 1 . ILE 34 34 10097 1 . LEU 35 35 10097 1 . ASP 36 36 10097 1 . GLY 37 37 10097 1 . LYS 38 38 10097 1 . ARG 39 39 10097 1 . ILE 40 40 10097 1 . GLN 41 41 10097 1 . TYR 42 42 10097 1 . GLN 43 43 10097 1 . LEU 44 44 10097 1 . VAL 45 45 10097 1 . ASP 46 46 10097 1 . ILE 47 47 10097 1 . SER 48 48 10097 1 . GLN 49 49 10097 1 . ASP 50 50 10097 1 . ASN 51 51 10097 1 . ALA 52 52 10097 1 . LEU 53 53 10097 1 . ARG 54 54 10097 1 . ASP 55 55 10097 1 . GLU 56 56 10097 1 . MET 57 57 10097 1 . ARG 58 58 10097 1 . THR 59 59 10097 1 . LEU 60 60 10097 1 . ALA 61 61 10097 1 . GLY 62 62 10097 1 . ASN 63 63 10097 1 . PRO 64 64 10097 1 . LYS 65 65 10097 1 . ALA 66 66 10097 1 . THR 67 67 10097 1 . PRO 68 68 10097 1 . PRO 69 69 10097 1 . GLN 70 70 10097 1 . ILE 71 71 10097 1 . VAL 72 72 10097 1 . ASN 73 73 10097 1 . GLY 74 74 10097 1 . ASN 75 75 10097 1 . HIS 76 76 10097 1 . TYR 77 77 10097 1 . CYS 78 78 10097 1 . GLY 79 79 10097 1 . ASP 80 80 10097 1 . TYR 81 81 10097 1 . GLU 82 82 10097 1 . LEU 83 83 10097 1 . PHE 84 84 10097 1 . VAL 85 85 10097 1 . GLU 86 86 10097 1 . ALA 87 87 10097 1 . VAL 88 88 10097 1 . GLU 89 89 10097 1 . GLN 90 90 10097 1 . ASP 91 91 10097 1 . THR 92 92 10097 1 . LEU 93 93 10097 1 . GLN 94 94 10097 1 . GLU 95 95 10097 1 . PHE 96 96 10097 1 . LEU 97 97 10097 1 . LYS 98 98 10097 1 . LEU 99 99 10097 1 . ALA 100 100 10097 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 10097 _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 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10097 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 10097 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P020401-39 . . . . . . 10097 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10097 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SH3BGR '[U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 10097 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10097 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10097 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10097 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10097 1 6 H2O . . . . . . solvent 90 . . % . . . . 10097 1 7 D2O . . . . . . solvent 10 . . % . . . . 10097 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10097 _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' 120 0.1 mM 10097 1 pH 6.0 0.05 pH 10097 1 pressure 1 0.001 atm 10097 1 temperature 298 0.1 K 10097 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10097 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10097 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10097 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10097 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10097 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10097 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10097 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10097 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10097 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10097 _Software.ID 4 _Software.Name Kujira _Software.Version 0.613 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10097 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10097 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10097 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10097 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10097 5 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 10097 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10097 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10097 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10097 1 3 '2D TROSY HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10097 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10097 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10097 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_TROSY_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_TROSY_HNCO _NMR_spec_expt.Entry_ID 10097 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D TROSY HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10097 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10097 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10097 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10097 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10097 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10097 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10097 1 3 '2D TROSY HNCO' 1 $sample_1 isotropic 10097 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 SER HA H 1 4.511 0.030 . 1 . . . . 2 SER HA . 10097 1 2 . 1 1 2 2 SER HB2 H 1 3.893 0.030 . 1 . . . . 2 SER HB2 . 10097 1 3 . 1 1 2 2 SER HB3 H 1 3.893 0.030 . 1 . . . . 2 SER HB3 . 10097 1 4 . 1 1 2 2 SER C C 13 174.671 0.300 . 1 . . . . 2 SER C . 10097 1 5 . 1 1 2 2 SER CA C 13 58.535 0.300 . 1 . . . . 2 SER CA . 10097 1 6 . 1 1 2 2 SER CB C 13 63.804 0.300 . 1 . . . . 2 SER CB . 10097 1 7 . 1 1 3 3 GLU H H 1 8.804 0.030 . 1 . . . . 3 GLU H . 10097 1 8 . 1 1 3 3 GLU HA H 1 4.314 0.030 . 1 . . . . 3 GLU HA . 10097 1 9 . 1 1 3 3 GLU HB2 H 1 1.977 0.030 . 2 . . . . 3 GLU HB2 . 10097 1 10 . 1 1 3 3 GLU HB3 H 1 2.090 0.030 . 2 . . . . 3 GLU HB3 . 10097 1 11 . 1 1 3 3 GLU HG2 H 1 2.300 0.030 . 1 . . . . 3 GLU HG2 . 10097 1 12 . 1 1 3 3 GLU HG3 H 1 2.300 0.030 . 1 . . . . 3 GLU HG3 . 10097 1 13 . 1 1 3 3 GLU C C 13 177.071 0.300 . 1 . . . . 3 GLU C . 10097 1 14 . 1 1 3 3 GLU CA C 13 57.112 0.300 . 1 . . . . 3 GLU CA . 10097 1 15 . 1 1 3 3 GLU CB C 13 29.785 0.300 . 1 . . . . 3 GLU CB . 10097 1 16 . 1 1 3 3 GLU CG C 13 36.203 0.300 . 1 . . . . 3 GLU CG . 10097 1 17 . 1 1 3 3 GLU N N 15 123.130 0.300 . 1 . . . . 3 GLU N . 10097 1 18 . 1 1 4 4 GLY H H 1 8.444 0.030 . 1 . . . . 4 GLY H . 10097 1 19 . 1 1 4 4 GLY HA2 H 1 3.951 0.030 . 1 . . . . 4 GLY HA2 . 10097 1 20 . 1 1 4 4 GLY HA3 H 1 3.951 0.030 . 1 . . . . 4 GLY HA3 . 10097 1 21 . 1 1 4 4 GLY C C 13 173.920 0.300 . 1 . . . . 4 GLY C . 10097 1 22 . 1 1 4 4 GLY CA C 13 45.357 0.300 . 1 . . . . 4 GLY CA . 10097 1 23 . 1 1 4 4 GLY N N 15 110.112 0.300 . 1 . . . . 4 GLY N . 10097 1 24 . 1 1 5 5 ALA H H 1 8.131 0.030 . 1 . . . . 5 ALA H . 10097 1 25 . 1 1 5 5 ALA HA H 1 4.364 0.030 . 1 . . . . 5 ALA HA . 10097 1 26 . 1 1 5 5 ALA HB1 H 1 1.394 0.030 . 1 . . . . 5 ALA HB . 10097 1 27 . 1 1 5 5 ALA HB2 H 1 1.394 0.030 . 1 . . . . 5 ALA HB . 10097 1 28 . 1 1 5 5 ALA HB3 H 1 1.394 0.030 . 1 . . . . 5 ALA HB . 10097 1 29 . 1 1 5 5 ALA C C 13 177.688 0.300 . 1 . . . . 5 ALA C . 10097 1 30 . 1 1 5 5 ALA CA C 13 52.560 0.300 . 1 . . . . 5 ALA CA . 10097 1 31 . 1 1 5 5 ALA CB C 13 19.446 0.300 . 1 . . . . 5 ALA CB . 10097 1 32 . 1 1 5 5 ALA N N 15 123.881 0.300 . 1 . . . . 5 ALA N . 10097 1 33 . 1 1 6 6 ALA H H 1 8.341 0.030 . 1 . . . . 6 ALA H . 10097 1 34 . 1 1 6 6 ALA HA H 1 4.307 0.030 . 1 . . . . 6 ALA HA . 10097 1 35 . 1 1 6 6 ALA HB1 H 1 1.384 0.030 . 1 . . . . 6 ALA HB . 10097 1 36 . 1 1 6 6 ALA HB2 H 1 1.384 0.030 . 1 . . . . 6 ALA HB . 10097 1 37 . 1 1 6 6 ALA HB3 H 1 1.384 0.030 . 1 . . . . 6 ALA HB . 10097 1 38 . 1 1 6 6 ALA C C 13 178.073 0.300 . 1 . . . . 6 ALA C . 10097 1 39 . 1 1 6 6 ALA CA C 13 52.675 0.300 . 1 . . . . 6 ALA CA . 10097 1 40 . 1 1 6 6 ALA CB C 13 19.255 0.300 . 1 . . . . 6 ALA CB . 10097 1 41 . 1 1 6 6 ALA N N 15 123.296 0.300 . 1 . . . . 6 ALA N . 10097 1 42 . 1 1 7 7 THR H H 1 8.109 0.030 . 1 . . . . 7 THR H . 10097 1 43 . 1 1 7 7 THR HA H 1 4.310 0.030 . 1 . . . . 7 THR HA . 10097 1 44 . 1 1 7 7 THR HB H 1 4.193 0.030 . 1 . . . . 7 THR HB . 10097 1 45 . 1 1 7 7 THR HG21 H 1 1.199 0.030 . 1 . . . . 7 THR HG2 . 10097 1 46 . 1 1 7 7 THR HG22 H 1 1.199 0.030 . 1 . . . . 7 THR HG2 . 10097 1 47 . 1 1 7 7 THR HG23 H 1 1.199 0.030 . 1 . . . . 7 THR HG2 . 10097 1 48 . 1 1 7 7 THR C C 13 174.640 0.300 . 1 . . . . 7 THR C . 10097 1 49 . 1 1 7 7 THR CA C 13 62.012 0.300 . 1 . . . . 7 THR CA . 10097 1 50 . 1 1 7 7 THR CB C 13 69.913 0.300 . 1 . . . . 7 THR CB . 10097 1 51 . 1 1 7 7 THR CG2 C 13 21.729 0.300 . 1 . . . . 7 THR CG2 . 10097 1 52 . 1 1 7 7 THR N N 15 113.385 0.300 . 1 . . . . 7 THR N . 10097 1 53 . 1 1 8 8 MET H H 1 8.357 0.030 . 1 . . . . 8 MET H . 10097 1 54 . 1 1 8 8 MET HA H 1 4.509 0.030 . 1 . . . . 8 MET HA . 10097 1 55 . 1 1 8 8 MET HB2 H 1 2.054 0.030 . 2 . . . . 8 MET HB2 . 10097 1 56 . 1 1 8 8 MET HB3 H 1 1.977 0.030 . 2 . . . . 8 MET HB3 . 10097 1 57 . 1 1 8 8 MET HG2 H 1 2.510 0.030 . 2 . . . . 8 MET HG2 . 10097 1 58 . 1 1 8 8 MET HG3 H 1 2.612 0.030 . 2 . . . . 8 MET HG3 . 10097 1 59 . 1 1 8 8 MET HE1 H 1 2.066 0.030 . 1 . . . . 8 MET HE . 10097 1 60 . 1 1 8 8 MET HE2 H 1 2.066 0.030 . 1 . . . . 8 MET HE . 10097 1 61 . 1 1 8 8 MET HE3 H 1 2.066 0.030 . 1 . . . . 8 MET HE . 10097 1 62 . 1 1 8 8 MET C C 13 175.888 0.300 . 1 . . . . 8 MET C . 10097 1 63 . 1 1 8 8 MET CA C 13 55.461 0.300 . 1 . . . . 8 MET CA . 10097 1 64 . 1 1 8 8 MET CB C 13 32.992 0.300 . 1 . . . . 8 MET CB . 10097 1 65 . 1 1 8 8 MET CG C 13 32.233 0.300 . 1 . . . . 8 MET CG . 10097 1 66 . 1 1 8 8 MET CE C 13 17.228 0.300 . 1 . . . . 8 MET CE . 10097 1 67 . 1 1 8 8 MET N N 15 122.798 0.300 . 1 . . . . 8 MET N . 10097 1 68 . 1 1 9 9 SER H H 1 8.272 0.030 . 1 . . . . 9 SER H . 10097 1 69 . 1 1 9 9 SER HA H 1 4.511 0.030 . 1 . . . . 9 SER HA . 10097 1 70 . 1 1 9 9 SER HB2 H 1 3.821 0.030 . 2 . . . . 9 SER HB2 . 10097 1 71 . 1 1 9 9 SER HB3 H 1 3.883 0.030 . 2 . . . . 9 SER HB3 . 10097 1 72 . 1 1 9 9 SER C C 13 174.577 0.300 . 1 . . . . 9 SER C . 10097 1 73 . 1 1 9 9 SER CA C 13 58.321 0.300 . 1 . . . . 9 SER CA . 10097 1 74 . 1 1 9 9 SER CB C 13 64.670 0.300 . 1 . . . . 9 SER CB . 10097 1 75 . 1 1 9 9 SER N N 15 116.551 0.300 . 1 . . . . 9 SER N . 10097 1 76 . 1 1 10 10 GLY H H 1 8.405 0.030 . 1 . . . . 10 GLY H . 10097 1 77 . 1 1 10 10 GLY HA2 H 1 4.053 0.030 . 1 . . . . 10 GLY HA2 . 10097 1 78 . 1 1 10 10 GLY HA3 H 1 4.053 0.030 . 1 . . . . 10 GLY HA3 . 10097 1 79 . 1 1 10 10 GLY C C 13 174.698 0.300 . 1 . . . . 10 GLY C . 10097 1 80 . 1 1 10 10 GLY CA C 13 45.124 0.300 . 1 . . . . 10 GLY CA . 10097 1 81 . 1 1 10 10 GLY N N 15 110.768 0.300 . 1 . . . . 10 GLY N . 10097 1 82 . 1 1 11 11 LEU H H 1 8.486 0.030 . 1 . . . . 11 LEU H . 10097 1 83 . 1 1 11 11 LEU HA H 1 4.857 0.030 . 1 . . . . 11 LEU HA . 10097 1 84 . 1 1 11 11 LEU HB2 H 1 1.835 0.030 . 2 . . . . 11 LEU HB2 . 10097 1 85 . 1 1 11 11 LEU HB3 H 1 1.677 0.030 . 2 . . . . 11 LEU HB3 . 10097 1 86 . 1 1 11 11 LEU HG H 1 1.590 0.030 . 1 . . . . 11 LEU HG . 10097 1 87 . 1 1 11 11 LEU HD11 H 1 1.022 0.030 . 1 . . . . 11 LEU HD1 . 10097 1 88 . 1 1 11 11 LEU HD12 H 1 1.022 0.030 . 1 . . . . 11 LEU HD1 . 10097 1 89 . 1 1 11 11 LEU HD13 H 1 1.022 0.030 . 1 . . . . 11 LEU HD1 . 10097 1 90 . 1 1 11 11 LEU HD21 H 1 1.024 0.030 . 1 . . . . 11 LEU HD2 . 10097 1 91 . 1 1 11 11 LEU HD22 H 1 1.024 0.030 . 1 . . . . 11 LEU HD2 . 10097 1 92 . 1 1 11 11 LEU HD23 H 1 1.024 0.030 . 1 . . . . 11 LEU HD2 . 10097 1 93 . 1 1 11 11 LEU C C 13 177.029 0.300 . 1 . . . . 11 LEU C . 10097 1 94 . 1 1 11 11 LEU CA C 13 55.949 0.300 . 1 . . . . 11 LEU CA . 10097 1 95 . 1 1 11 11 LEU CB C 13 43.037 0.300 . 1 . . . . 11 LEU CB . 10097 1 96 . 1 1 11 11 LEU CG C 13 27.891 0.300 . 1 . . . . 11 LEU CG . 10097 1 97 . 1 1 11 11 LEU CD1 C 13 25.788 0.300 . 2 . . . . 11 LEU CD1 . 10097 1 98 . 1 1 11 11 LEU CD2 C 13 26.609 0.300 . 2 . . . . 11 LEU CD2 . 10097 1 99 . 1 1 11 11 LEU N N 15 124.275 0.300 . 1 . . . . 11 LEU N . 10097 1 100 . 1 1 12 12 ARG H H 1 9.663 0.030 . 1 . . . . 12 ARG H . 10097 1 101 . 1 1 12 12 ARG HA H 1 5.395 0.030 . 1 . . . . 12 ARG HA . 10097 1 102 . 1 1 12 12 ARG HB2 H 1 1.644 0.030 . 2 . . . . 12 ARG HB2 . 10097 1 103 . 1 1 12 12 ARG HB3 H 1 1.344 0.030 . 2 . . . . 12 ARG HB3 . 10097 1 104 . 1 1 12 12 ARG HG2 H 1 1.339 0.030 . 2 . . . . 12 ARG HG2 . 10097 1 105 . 1 1 12 12 ARG HG3 H 1 1.689 0.030 . 2 . . . . 12 ARG HG3 . 10097 1 106 . 1 1 12 12 ARG HD2 H 1 2.901 0.030 . 2 . . . . 12 ARG HD2 . 10097 1 107 . 1 1 12 12 ARG HD3 H 1 3.175 0.030 . 2 . . . . 12 ARG HD3 . 10097 1 108 . 1 1 12 12 ARG HE H 1 6.846 0.030 . 1 . . . . 12 ARG HE . 10097 1 109 . 1 1 12 12 ARG C C 13 173.796 0.300 . 1 . . . . 12 ARG C . 10097 1 110 . 1 1 12 12 ARG CA C 13 55.073 0.300 . 1 . . . . 12 ARG CA . 10097 1 111 . 1 1 12 12 ARG CB C 13 33.475 0.300 . 1 . . . . 12 ARG CB . 10097 1 112 . 1 1 12 12 ARG CG C 13 26.553 0.300 . 1 . . . . 12 ARG CG . 10097 1 113 . 1 1 12 12 ARG CD C 13 43.761 0.300 . 1 . . . . 12 ARG CD . 10097 1 114 . 1 1 12 12 ARG N N 15 126.151 0.300 . 1 . . . . 12 ARG N . 10097 1 115 . 1 1 12 12 ARG NE N 15 81.372 0.300 . 1 . . . . 12 ARG NE . 10097 1 116 . 1 1 13 13 VAL H H 1 8.675 0.030 . 1 . . . . 13 VAL H . 10097 1 117 . 1 1 13 13 VAL HA H 1 4.626 0.030 . 1 . . . . 13 VAL HA . 10097 1 118 . 1 1 13 13 VAL HB H 1 1.912 0.030 . 1 . . . . 13 VAL HB . 10097 1 119 . 1 1 13 13 VAL HG11 H 1 0.443 0.030 . 1 . . . . 13 VAL HG1 . 10097 1 120 . 1 1 13 13 VAL HG12 H 1 0.443 0.030 . 1 . . . . 13 VAL HG1 . 10097 1 121 . 1 1 13 13 VAL HG13 H 1 0.443 0.030 . 1 . . . . 13 VAL HG1 . 10097 1 122 . 1 1 13 13 VAL HG21 H 1 0.617 0.030 . 1 . . . . 13 VAL HG2 . 10097 1 123 . 1 1 13 13 VAL HG22 H 1 0.617 0.030 . 1 . . . . 13 VAL HG2 . 10097 1 124 . 1 1 13 13 VAL HG23 H 1 0.617 0.030 . 1 . . . . 13 VAL HG2 . 10097 1 125 . 1 1 13 13 VAL C C 13 175.611 0.300 . 1 . . . . 13 VAL C . 10097 1 126 . 1 1 13 13 VAL CA C 13 60.749 0.300 . 1 . . . . 13 VAL CA . 10097 1 127 . 1 1 13 13 VAL CB C 13 33.655 0.300 . 1 . . . . 13 VAL CB . 10097 1 128 . 1 1 13 13 VAL CG1 C 13 20.520 0.300 . 2 . . . . 13 VAL CG1 . 10097 1 129 . 1 1 13 13 VAL CG2 C 13 20.336 0.300 . 2 . . . . 13 VAL CG2 . 10097 1 130 . 1 1 13 13 VAL N N 15 121.862 0.300 . 1 . . . . 13 VAL N . 10097 1 131 . 1 1 14 14 TYR H H 1 9.439 0.030 . 1 . . . . 14 TYR H . 10097 1 132 . 1 1 14 14 TYR HA H 1 4.852 0.030 . 1 . . . . 14 TYR HA . 10097 1 133 . 1 1 14 14 TYR HB2 H 1 2.987 0.030 . 2 . . . . 14 TYR HB2 . 10097 1 134 . 1 1 14 14 TYR HB3 H 1 2.930 0.030 . 2 . . . . 14 TYR HB3 . 10097 1 135 . 1 1 14 14 TYR HD1 H 1 7.010 0.030 . 1 . . . . 14 TYR HD1 . 10097 1 136 . 1 1 14 14 TYR HD2 H 1 7.010 0.030 . 1 . . . . 14 TYR HD2 . 10097 1 137 . 1 1 14 14 TYR HE1 H 1 6.743 0.030 . 1 . . . . 14 TYR HE1 . 10097 1 138 . 1 1 14 14 TYR HE2 H 1 6.743 0.030 . 1 . . . . 14 TYR HE2 . 10097 1 139 . 1 1 14 14 TYR C C 13 174.781 0.300 . 1 . . . . 14 TYR C . 10097 1 140 . 1 1 14 14 TYR CA C 13 59.377 0.300 . 1 . . . . 14 TYR CA . 10097 1 141 . 1 1 14 14 TYR CB C 13 39.404 0.300 . 1 . . . . 14 TYR CB . 10097 1 142 . 1 1 14 14 TYR CD1 C 13 132.850 0.300 . 1 . . . . 14 TYR CD1 . 10097 1 143 . 1 1 14 14 TYR CD2 C 13 132.850 0.300 . 1 . . . . 14 TYR CD2 . 10097 1 144 . 1 1 14 14 TYR CE1 C 13 117.605 0.300 . 1 . . . . 14 TYR CE1 . 10097 1 145 . 1 1 14 14 TYR CE2 C 13 117.605 0.300 . 1 . . . . 14 TYR CE2 . 10097 1 146 . 1 1 14 14 TYR N N 15 127.058 0.300 . 1 . . . . 14 TYR N . 10097 1 147 . 1 1 15 15 SER H H 1 9.137 0.030 . 1 . . . . 15 SER H . 10097 1 148 . 1 1 15 15 SER HA H 1 5.047 0.030 . 1 . . . . 15 SER HA . 10097 1 149 . 1 1 15 15 SER HB2 H 1 3.612 0.030 . 2 . . . . 15 SER HB2 . 10097 1 150 . 1 1 15 15 SER HB3 H 1 3.485 0.030 . 2 . . . . 15 SER HB3 . 10097 1 151 . 1 1 15 15 SER C C 13 172.013 0.300 . 1 . . . . 15 SER C . 10097 1 152 . 1 1 15 15 SER CA C 13 57.056 0.300 . 1 . . . . 15 SER CA . 10097 1 153 . 1 1 15 15 SER CB C 13 68.238 0.300 . 1 . . . . 15 SER CB . 10097 1 154 . 1 1 15 15 SER N N 15 118.402 0.300 . 1 . . . . 15 SER N . 10097 1 155 . 1 1 16 16 THR H H 1 9.701 0.030 . 1 . . . . 16 THR H . 10097 1 156 . 1 1 16 16 THR HA H 1 5.371 0.030 . 1 . . . . 16 THR HA . 10097 1 157 . 1 1 16 16 THR HB H 1 4.028 0.030 . 1 . . . . 16 THR HB . 10097 1 158 . 1 1 16 16 THR HG21 H 1 1.242 0.030 . 1 . . . . 16 THR HG2 . 10097 1 159 . 1 1 16 16 THR HG22 H 1 1.242 0.030 . 1 . . . . 16 THR HG2 . 10097 1 160 . 1 1 16 16 THR HG23 H 1 1.242 0.030 . 1 . . . . 16 THR HG2 . 10097 1 161 . 1 1 16 16 THR C C 13 173.699 0.300 . 1 . . . . 16 THR C . 10097 1 162 . 1 1 16 16 THR CA C 13 59.130 0.300 . 1 . . . . 16 THR CA . 10097 1 163 . 1 1 16 16 THR CB C 13 70.887 0.300 . 1 . . . . 16 THR CB . 10097 1 164 . 1 1 16 16 THR CG2 C 13 20.403 0.300 . 1 . . . . 16 THR CG2 . 10097 1 165 . 1 1 16 16 THR N N 15 113.206 0.300 . 1 . . . . 16 THR N . 10097 1 166 . 1 1 17 17 SER H H 1 8.190 0.030 . 1 . . . . 17 SER H . 10097 1 167 . 1 1 17 17 SER HA H 1 4.424 0.030 . 1 . . . . 17 SER HA . 10097 1 168 . 1 1 17 17 SER HB2 H 1 4.001 0.030 . 2 . . . . 17 SER HB2 . 10097 1 169 . 1 1 17 17 SER HB3 H 1 3.730 0.030 . 2 . . . . 17 SER HB3 . 10097 1 170 . 1 1 17 17 SER C C 13 175.200 0.300 . 1 . . . . 17 SER C . 10097 1 171 . 1 1 17 17 SER CA C 13 58.962 0.300 . 1 . . . . 17 SER CA . 10097 1 172 . 1 1 17 17 SER CB C 13 63.223 0.300 . 1 . . . . 17 SER CB . 10097 1 173 . 1 1 17 17 SER N N 15 122.703 0.300 . 1 . . . . 17 SER N . 10097 1 174 . 1 1 18 18 VAL H H 1 7.833 0.030 . 1 . . . . 18 VAL H . 10097 1 175 . 1 1 18 18 VAL HA H 1 4.385 0.030 . 1 . . . . 18 VAL HA . 10097 1 176 . 1 1 18 18 VAL HB H 1 1.991 0.030 . 1 . . . . 18 VAL HB . 10097 1 177 . 1 1 18 18 VAL HG11 H 1 0.910 0.030 . 1 . . . . 18 VAL HG1 . 10097 1 178 . 1 1 18 18 VAL HG12 H 1 0.910 0.030 . 1 . . . . 18 VAL HG1 . 10097 1 179 . 1 1 18 18 VAL HG13 H 1 0.910 0.030 . 1 . . . . 18 VAL HG1 . 10097 1 180 . 1 1 18 18 VAL HG21 H 1 0.891 0.030 . 1 . . . . 18 VAL HG2 . 10097 1 181 . 1 1 18 18 VAL HG22 H 1 0.891 0.030 . 1 . . . . 18 VAL HG2 . 10097 1 182 . 1 1 18 18 VAL HG23 H 1 0.891 0.030 . 1 . . . . 18 VAL HG2 . 10097 1 183 . 1 1 18 18 VAL C C 13 174.756 0.300 . 1 . . . . 18 VAL C . 10097 1 184 . 1 1 18 18 VAL CA C 13 61.715 0.300 . 1 . . . . 18 VAL CA . 10097 1 185 . 1 1 18 18 VAL CB C 13 33.405 0.300 . 1 . . . . 18 VAL CB . 10097 1 186 . 1 1 18 18 VAL CG1 C 13 20.198 0.300 . 2 . . . . 18 VAL CG1 . 10097 1 187 . 1 1 18 18 VAL CG2 C 13 21.027 0.300 . 2 . . . . 18 VAL CG2 . 10097 1 188 . 1 1 18 18 VAL N N 15 121.969 0.300 . 1 . . . . 18 VAL N . 10097 1 189 . 1 1 19 19 THR H H 1 7.997 0.030 . 1 . . . . 19 THR H . 10097 1 190 . 1 1 19 19 THR HA H 1 4.435 0.030 . 1 . . . . 19 THR HA . 10097 1 191 . 1 1 19 19 THR HB H 1 4.420 0.030 . 1 . . . . 19 THR HB . 10097 1 192 . 1 1 19 19 THR HG21 H 1 1.025 0.030 . 1 . . . . 19 THR HG2 . 10097 1 193 . 1 1 19 19 THR HG22 H 1 1.025 0.030 . 1 . . . . 19 THR HG2 . 10097 1 194 . 1 1 19 19 THR HG23 H 1 1.025 0.030 . 1 . . . . 19 THR HG2 . 10097 1 195 . 1 1 19 19 THR C C 13 172.586 0.300 . 1 . . . . 19 THR C . 10097 1 196 . 1 1 19 19 THR CA C 13 61.525 0.300 . 1 . . . . 19 THR CA . 10097 1 197 . 1 1 19 19 THR CB C 13 68.002 0.300 . 1 . . . . 19 THR CB . 10097 1 198 . 1 1 19 19 THR CG2 C 13 19.458 0.300 . 1 . . . . 19 THR CG2 . 10097 1 199 . 1 1 19 19 THR N N 15 119.770 0.300 . 1 . . . . 19 THR N . 10097 1 200 . 1 1 20 20 GLY HA2 H 1 3.721 0.030 . 2 . . . . 20 GLY HA2 . 10097 1 201 . 1 1 20 20 GLY HA3 H 1 4.327 0.030 . 2 . . . . 20 GLY HA3 . 10097 1 202 . 1 1 20 20 GLY C C 13 174.623 0.300 . 1 . . . . 20 GLY C . 10097 1 203 . 1 1 20 20 GLY CA C 13 45.056 0.300 . 1 . . . . 20 GLY CA . 10097 1 204 . 1 1 21 21 SER H H 1 8.379 0.030 . 1 . . . . 21 SER H . 10097 1 205 . 1 1 21 21 SER HA H 1 4.600 0.030 . 1 . . . . 21 SER HA . 10097 1 206 . 1 1 21 21 SER HB2 H 1 3.957 0.030 . 2 . . . . 21 SER HB2 . 10097 1 207 . 1 1 21 21 SER HB3 H 1 3.976 0.030 . 2 . . . . 21 SER HB3 . 10097 1 208 . 1 1 21 21 SER C C 13 175.420 0.300 . 1 . . . . 21 SER C . 10097 1 209 . 1 1 21 21 SER CA C 13 56.772 0.300 . 1 . . . . 21 SER CA . 10097 1 210 . 1 1 21 21 SER CB C 13 63.417 0.300 . 1 . . . . 21 SER CB . 10097 1 211 . 1 1 21 21 SER N N 15 116.769 0.300 . 1 . . . . 21 SER N . 10097 1 212 . 1 1 22 22 ARG H H 1 9.022 0.030 . 1 . . . . 22 ARG H . 10097 1 213 . 1 1 22 22 ARG HA H 1 3.967 0.030 . 1 . . . . 22 ARG HA . 10097 1 214 . 1 1 22 22 ARG HB2 H 1 1.850 0.030 . 2 . . . . 22 ARG HB2 . 10097 1 215 . 1 1 22 22 ARG HB3 H 1 1.937 0.030 . 2 . . . . 22 ARG HB3 . 10097 1 216 . 1 1 22 22 ARG HG2 H 1 1.763 0.030 . 2 . . . . 22 ARG HG2 . 10097 1 217 . 1 1 22 22 ARG HG3 H 1 1.690 0.030 . 2 . . . . 22 ARG HG3 . 10097 1 218 . 1 1 22 22 ARG HD2 H 1 3.244 0.030 . 1 . . . . 22 ARG HD2 . 10097 1 219 . 1 1 22 22 ARG HD3 H 1 3.244 0.030 . 1 . . . . 22 ARG HD3 . 10097 1 220 . 1 1 22 22 ARG C C 13 178.599 0.300 . 1 . . . . 22 ARG C . 10097 1 221 . 1 1 22 22 ARG CA C 13 59.121 0.300 . 1 . . . . 22 ARG CA . 10097 1 222 . 1 1 22 22 ARG CB C 13 29.627 0.300 . 1 . . . . 22 ARG CB . 10097 1 223 . 1 1 22 22 ARG CG C 13 27.360 0.300 . 1 . . . . 22 ARG CG . 10097 1 224 . 1 1 22 22 ARG CD C 13 43.341 0.300 . 1 . . . . 22 ARG CD . 10097 1 225 . 1 1 22 22 ARG N N 15 130.457 0.300 . 1 . . . . 22 ARG N . 10097 1 226 . 1 1 23 23 GLU H H 1 8.455 0.030 . 1 . . . . 23 GLU H . 10097 1 227 . 1 1 23 23 GLU HA H 1 4.003 0.030 . 1 . . . . 23 GLU HA . 10097 1 228 . 1 1 23 23 GLU HB2 H 1 1.842 0.030 . 2 . . . . 23 GLU HB2 . 10097 1 229 . 1 1 23 23 GLU HB3 H 1 1.941 0.030 . 2 . . . . 23 GLU HB3 . 10097 1 230 . 1 1 23 23 GLU HG2 H 1 2.166 0.030 . 2 . . . . 23 GLU HG2 . 10097 1 231 . 1 1 23 23 GLU HG3 H 1 2.247 0.030 . 2 . . . . 23 GLU HG3 . 10097 1 232 . 1 1 23 23 GLU C C 13 177.784 0.300 . 1 . . . . 23 GLU C . 10097 1 233 . 1 1 23 23 GLU CA C 13 60.232 0.300 . 1 . . . . 23 GLU CA . 10097 1 234 . 1 1 23 23 GLU CB C 13 29.517 0.300 . 1 . . . . 23 GLU CB . 10097 1 235 . 1 1 23 23 GLU CG C 13 37.050 0.300 . 1 . . . . 23 GLU CG . 10097 1 236 . 1 1 23 23 GLU N N 15 120.875 0.300 . 1 . . . . 23 GLU N . 10097 1 237 . 1 1 24 24 ILE H H 1 7.742 0.030 . 1 . . . . 24 ILE H . 10097 1 238 . 1 1 24 24 ILE HA H 1 3.587 0.030 . 1 . . . . 24 ILE HA . 10097 1 239 . 1 1 24 24 ILE HB H 1 1.715 0.030 . 1 . . . . 24 ILE HB . 10097 1 240 . 1 1 24 24 ILE HG12 H 1 1.270 0.030 . 2 . . . . 24 ILE HG12 . 10097 1 241 . 1 1 24 24 ILE HG13 H 1 1.711 0.030 . 2 . . . . 24 ILE HG13 . 10097 1 242 . 1 1 24 24 ILE HG21 H 1 0.743 0.030 . 1 . . . . 24 ILE HG2 . 10097 1 243 . 1 1 24 24 ILE HG22 H 1 0.743 0.030 . 1 . . . . 24 ILE HG2 . 10097 1 244 . 1 1 24 24 ILE HG23 H 1 0.743 0.030 . 1 . . . . 24 ILE HG2 . 10097 1 245 . 1 1 24 24 ILE HD11 H 1 0.984 0.030 . 1 . . . . 24 ILE HD1 . 10097 1 246 . 1 1 24 24 ILE HD12 H 1 0.984 0.030 . 1 . . . . 24 ILE HD1 . 10097 1 247 . 1 1 24 24 ILE HD13 H 1 0.984 0.030 . 1 . . . . 24 ILE HD1 . 10097 1 248 . 1 1 24 24 ILE C C 13 178.452 0.300 . 1 . . . . 24 ILE C . 10097 1 249 . 1 1 24 24 ILE CA C 13 65.629 0.300 . 1 . . . . 24 ILE CA . 10097 1 250 . 1 1 24 24 ILE CB C 13 38.174 0.300 . 1 . . . . 24 ILE CB . 10097 1 251 . 1 1 24 24 ILE CG1 C 13 28.842 0.300 . 1 . . . . 24 ILE CG1 . 10097 1 252 . 1 1 24 24 ILE CG2 C 13 16.919 0.300 . 1 . . . . 24 ILE CG2 . 10097 1 253 . 1 1 24 24 ILE CD1 C 13 13.287 0.300 . 1 . . . . 24 ILE CD1 . 10097 1 254 . 1 1 24 24 ILE N N 15 119.804 0.300 . 1 . . . . 24 ILE N . 10097 1 255 . 1 1 25 25 LYS H H 1 7.450 0.030 . 1 . . . . 25 LYS H . 10097 1 256 . 1 1 25 25 LYS HA H 1 3.917 0.030 . 1 . . . . 25 LYS HA . 10097 1 257 . 1 1 25 25 LYS HB2 H 1 1.797 0.030 . 2 . . . . 25 LYS HB2 . 10097 1 258 . 1 1 25 25 LYS HB3 H 1 1.877 0.030 . 2 . . . . 25 LYS HB3 . 10097 1 259 . 1 1 25 25 LYS HG2 H 1 1.355 0.030 . 2 . . . . 25 LYS HG2 . 10097 1 260 . 1 1 25 25 LYS HG3 H 1 1.569 0.030 . 2 . . . . 25 LYS HG3 . 10097 1 261 . 1 1 25 25 LYS HD2 H 1 1.648 0.030 . 1 . . . . 25 LYS HD2 . 10097 1 262 . 1 1 25 25 LYS HD3 H 1 1.648 0.030 . 1 . . . . 25 LYS HD3 . 10097 1 263 . 1 1 25 25 LYS HE2 H 1 2.909 0.030 . 2 . . . . 25 LYS HE2 . 10097 1 264 . 1 1 25 25 LYS HE3 H 1 2.956 0.030 . 2 . . . . 25 LYS HE3 . 10097 1 265 . 1 1 25 25 LYS C C 13 179.700 0.300 . 1 . . . . 25 LYS C . 10097 1 266 . 1 1 25 25 LYS CA C 13 60.330 0.300 . 1 . . . . 25 LYS CA . 10097 1 267 . 1 1 25 25 LYS CB C 13 32.447 0.300 . 1 . . . . 25 LYS CB . 10097 1 268 . 1 1 25 25 LYS CG C 13 25.743 0.300 . 1 . . . . 25 LYS CG . 10097 1 269 . 1 1 25 25 LYS CD C 13 29.387 0.300 . 1 . . . . 25 LYS CD . 10097 1 270 . 1 1 25 25 LYS CE C 13 42.102 0.300 . 1 . . . . 25 LYS CE . 10097 1 271 . 1 1 25 25 LYS N N 15 116.903 0.300 . 1 . . . . 25 LYS N . 10097 1 272 . 1 1 26 26 SER H H 1 8.224 0.030 . 1 . . . . 26 SER H . 10097 1 273 . 1 1 26 26 SER HA H 1 4.180 0.030 . 1 . . . . 26 SER HA . 10097 1 274 . 1 1 26 26 SER HB2 H 1 3.956 0.030 . 1 . . . . 26 SER HB2 . 10097 1 275 . 1 1 26 26 SER HB3 H 1 3.956 0.030 . 1 . . . . 26 SER HB3 . 10097 1 276 . 1 1 26 26 SER C C 13 177.000 0.300 . 1 . . . . 26 SER C . 10097 1 277 . 1 1 26 26 SER CA C 13 61.602 0.300 . 1 . . . . 26 SER CA . 10097 1 278 . 1 1 26 26 SER CB C 13 62.952 0.300 . 1 . . . . 26 SER CB . 10097 1 279 . 1 1 26 26 SER N N 15 115.060 0.300 . 1 . . . . 26 SER N . 10097 1 280 . 1 1 27 27 GLN H H 1 8.317 0.030 . 1 . . . . 27 GLN H . 10097 1 281 . 1 1 27 27 GLN HA H 1 3.560 0.030 . 1 . . . . 27 GLN HA . 10097 1 282 . 1 1 27 27 GLN HB2 H 1 1.868 0.030 . 2 . . . . 27 GLN HB2 . 10097 1 283 . 1 1 27 27 GLN HB3 H 1 1.163 0.030 . 2 . . . . 27 GLN HB3 . 10097 1 284 . 1 1 27 27 GLN HG2 H 1 2.307 0.030 . 2 . . . . 27 GLN HG2 . 10097 1 285 . 1 1 27 27 GLN HG3 H 1 0.430 0.030 . 2 . . . . 27 GLN HG3 . 10097 1 286 . 1 1 27 27 GLN HE21 H 1 6.425 0.030 . 2 . . . . 27 GLN HE21 . 10097 1 287 . 1 1 27 27 GLN HE22 H 1 6.872 0.030 . 2 . . . . 27 GLN HE22 . 10097 1 288 . 1 1 27 27 GLN C C 13 179.015 0.300 . 1 . . . . 27 GLN C . 10097 1 289 . 1 1 27 27 GLN CA C 13 59.131 0.300 . 1 . . . . 27 GLN CA . 10097 1 290 . 1 1 27 27 GLN CB C 13 28.344 0.300 . 1 . . . . 27 GLN CB . 10097 1 291 . 1 1 27 27 GLN CG C 13 33.102 0.300 . 1 . . . . 27 GLN CG . 10097 1 292 . 1 1 27 27 GLN N N 15 121.888 0.300 . 1 . . . . 27 GLN N . 10097 1 293 . 1 1 27 27 GLN NE2 N 15 107.454 0.300 . 1 . . . . 27 GLN NE2 . 10097 1 294 . 1 1 28 28 GLN H H 1 8.569 0.030 . 1 . . . . 28 GLN H . 10097 1 295 . 1 1 28 28 GLN HA H 1 3.732 0.030 . 1 . . . . 28 GLN HA . 10097 1 296 . 1 1 28 28 GLN HB2 H 1 2.051 0.030 . 2 . . . . 28 GLN HB2 . 10097 1 297 . 1 1 28 28 GLN HB3 H 1 2.136 0.030 . 2 . . . . 28 GLN HB3 . 10097 1 298 . 1 1 28 28 GLN HG2 H 1 2.381 0.030 . 2 . . . . 28 GLN HG2 . 10097 1 299 . 1 1 28 28 GLN HG3 H 1 2.650 0.030 . 2 . . . . 28 GLN HG3 . 10097 1 300 . 1 1 28 28 GLN HE21 H 1 7.179 0.030 . 2 . . . . 28 GLN HE21 . 10097 1 301 . 1 1 28 28 GLN HE22 H 1 7.377 0.030 . 2 . . . . 28 GLN HE22 . 10097 1 302 . 1 1 28 28 GLN C C 13 177.664 0.300 . 1 . . . . 28 GLN C . 10097 1 303 . 1 1 28 28 GLN CA C 13 59.811 0.300 . 1 . . . . 28 GLN CA . 10097 1 304 . 1 1 28 28 GLN CB C 13 27.622 0.300 . 1 . . . . 28 GLN CB . 10097 1 305 . 1 1 28 28 GLN CG C 13 35.393 0.300 . 1 . . . . 28 GLN CG . 10097 1 306 . 1 1 28 28 GLN N N 15 116.425 0.300 . 1 . . . . 28 GLN N . 10097 1 307 . 1 1 28 28 GLN NE2 N 15 106.494 0.300 . 1 . . . . 28 GLN NE2 . 10097 1 308 . 1 1 29 29 SER H H 1 7.802 0.030 . 1 . . . . 29 SER H . 10097 1 309 . 1 1 29 29 SER HA H 1 4.297 0.030 . 1 . . . . 29 SER HA . 10097 1 310 . 1 1 29 29 SER HB2 H 1 4.060 0.030 . 2 . . . . 29 SER HB2 . 10097 1 311 . 1 1 29 29 SER HB3 H 1 4.012 0.030 . 2 . . . . 29 SER HB3 . 10097 1 312 . 1 1 29 29 SER C C 13 175.955 0.300 . 1 . . . . 29 SER C . 10097 1 313 . 1 1 29 29 SER CA C 13 61.497 0.300 . 1 . . . . 29 SER CA . 10097 1 314 . 1 1 29 29 SER CB C 13 62.986 0.300 . 1 . . . . 29 SER CB . 10097 1 315 . 1 1 29 29 SER N N 15 114.505 0.300 . 1 . . . . 29 SER N . 10097 1 316 . 1 1 30 30 GLU H H 1 8.015 0.030 . 1 . . . . 30 GLU H . 10097 1 317 . 1 1 30 30 GLU HA H 1 4.261 0.030 . 1 . . . . 30 GLU HA . 10097 1 318 . 1 1 30 30 GLU HB2 H 1 2.322 0.030 . 2 . . . . 30 GLU HB2 . 10097 1 319 . 1 1 30 30 GLU HB3 H 1 2.386 0.030 . 2 . . . . 30 GLU HB3 . 10097 1 320 . 1 1 30 30 GLU HG2 H 1 2.456 0.030 . 1 . . . . 30 GLU HG2 . 10097 1 321 . 1 1 30 30 GLU HG3 H 1 2.456 0.030 . 1 . . . . 30 GLU HG3 . 10097 1 322 . 1 1 30 30 GLU C C 13 178.006 0.300 . 1 . . . . 30 GLU C . 10097 1 323 . 1 1 30 30 GLU CA C 13 59.355 0.300 . 1 . . . . 30 GLU CA . 10097 1 324 . 1 1 30 30 GLU CB C 13 30.671 0.300 . 1 . . . . 30 GLU CB . 10097 1 325 . 1 1 30 30 GLU CG C 13 36.252 0.300 . 1 . . . . 30 GLU CG . 10097 1 326 . 1 1 30 30 GLU N N 15 122.832 0.300 . 1 . . . . 30 GLU N . 10097 1 327 . 1 1 31 31 VAL H H 1 7.708 0.030 . 1 . . . . 31 VAL H . 10097 1 328 . 1 1 31 31 VAL HA H 1 3.352 0.030 . 1 . . . . 31 VAL HA . 10097 1 329 . 1 1 31 31 VAL HB H 1 1.869 0.030 . 1 . . . . 31 VAL HB . 10097 1 330 . 1 1 31 31 VAL HG11 H 1 0.145 0.030 . 1 . . . . 31 VAL HG1 . 10097 1 331 . 1 1 31 31 VAL HG12 H 1 0.145 0.030 . 1 . . . . 31 VAL HG1 . 10097 1 332 . 1 1 31 31 VAL HG13 H 1 0.145 0.030 . 1 . . . . 31 VAL HG1 . 10097 1 333 . 1 1 31 31 VAL HG21 H 1 0.558 0.030 . 1 . . . . 31 VAL HG2 . 10097 1 334 . 1 1 31 31 VAL HG22 H 1 0.558 0.030 . 1 . . . . 31 VAL HG2 . 10097 1 335 . 1 1 31 31 VAL HG23 H 1 0.558 0.030 . 1 . . . . 31 VAL HG2 . 10097 1 336 . 1 1 31 31 VAL C C 13 177.734 0.300 . 1 . . . . 31 VAL C . 10097 1 337 . 1 1 31 31 VAL CA C 13 66.027 0.300 . 1 . . . . 31 VAL CA . 10097 1 338 . 1 1 31 31 VAL CB C 13 31.695 0.300 . 1 . . . . 31 VAL CB . 10097 1 339 . 1 1 31 31 VAL CG1 C 13 21.085 0.300 . 2 . . . . 31 VAL CG1 . 10097 1 340 . 1 1 31 31 VAL CG2 C 13 21.811 0.300 . 2 . . . . 31 VAL CG2 . 10097 1 341 . 1 1 31 31 VAL N N 15 116.582 0.300 . 1 . . . . 31 VAL N . 10097 1 342 . 1 1 32 32 THR H H 1 7.753 0.030 . 1 . . . . 32 THR H . 10097 1 343 . 1 1 32 32 THR HA H 1 3.585 0.030 . 1 . . . . 32 THR HA . 10097 1 344 . 1 1 32 32 THR HB H 1 4.506 0.030 . 1 . . . . 32 THR HB . 10097 1 345 . 1 1 32 32 THR HG21 H 1 1.159 0.030 . 1 . . . . 32 THR HG2 . 10097 1 346 . 1 1 32 32 THR HG22 H 1 1.159 0.030 . 1 . . . . 32 THR HG2 . 10097 1 347 . 1 1 32 32 THR HG23 H 1 1.159 0.030 . 1 . . . . 32 THR HG2 . 10097 1 348 . 1 1 32 32 THR C C 13 176.256 0.300 . 1 . . . . 32 THR C . 10097 1 349 . 1 1 32 32 THR CA C 13 65.826 0.300 . 1 . . . . 32 THR CA . 10097 1 350 . 1 1 32 32 THR CB C 13 67.829 0.300 . 1 . . . . 32 THR CB . 10097 1 351 . 1 1 32 32 THR CG2 C 13 22.301 0.300 . 1 . . . . 32 THR CG2 . 10097 1 352 . 1 1 32 32 THR N N 15 107.592 0.300 . 1 . . . . 32 THR N . 10097 1 353 . 1 1 33 33 ARG H H 1 8.237 0.030 . 1 . . . . 33 ARG H . 10097 1 354 . 1 1 33 33 ARG HA H 1 4.160 0.030 . 1 . . . . 33 ARG HA . 10097 1 355 . 1 1 33 33 ARG HB2 H 1 2.057 0.030 . 2 . . . . 33 ARG HB2 . 10097 1 356 . 1 1 33 33 ARG HB3 H 1 2.089 0.030 . 2 . . . . 33 ARG HB3 . 10097 1 357 . 1 1 33 33 ARG HG2 H 1 1.757 0.030 . 2 . . . . 33 ARG HG2 . 10097 1 358 . 1 1 33 33 ARG HG3 H 1 1.609 0.030 . 2 . . . . 33 ARG HG3 . 10097 1 359 . 1 1 33 33 ARG HD2 H 1 3.365 0.030 . 2 . . . . 33 ARG HD2 . 10097 1 360 . 1 1 33 33 ARG HD3 H 1 3.172 0.030 . 2 . . . . 33 ARG HD3 . 10097 1 361 . 1 1 33 33 ARG HE H 1 7.687 0.030 . 1 . . . . 33 ARG HE . 10097 1 362 . 1 1 33 33 ARG C C 13 180.718 0.300 . 1 . . . . 33 ARG C . 10097 1 363 . 1 1 33 33 ARG CA C 13 60.054 0.300 . 1 . . . . 33 ARG CA . 10097 1 364 . 1 1 33 33 ARG CB C 13 30.405 0.300 . 1 . . . . 33 ARG CB . 10097 1 365 . 1 1 33 33 ARG CG C 13 27.405 0.300 . 1 . . . . 33 ARG CG . 10097 1 366 . 1 1 33 33 ARG CD C 13 43.423 0.300 . 1 . . . . 33 ARG CD . 10097 1 367 . 1 1 33 33 ARG N N 15 122.678 0.300 . 1 . . . . 33 ARG N . 10097 1 368 . 1 1 33 33 ARG NE N 15 83.224 0.300 . 1 . . . . 33 ARG NE . 10097 1 369 . 1 1 34 34 ILE H H 1 8.201 0.030 . 1 . . . . 34 ILE H . 10097 1 370 . 1 1 34 34 ILE HA H 1 3.892 0.030 . 1 . . . . 34 ILE HA . 10097 1 371 . 1 1 34 34 ILE HB H 1 2.208 0.030 . 1 . . . . 34 ILE HB . 10097 1 372 . 1 1 34 34 ILE HG12 H 1 1.320 0.030 . 2 . . . . 34 ILE HG12 . 10097 1 373 . 1 1 34 34 ILE HG13 H 1 1.941 0.030 . 2 . . . . 34 ILE HG13 . 10097 1 374 . 1 1 34 34 ILE HG21 H 1 0.905 0.030 . 1 . . . . 34 ILE HG2 . 10097 1 375 . 1 1 34 34 ILE HG22 H 1 0.905 0.030 . 1 . . . . 34 ILE HG2 . 10097 1 376 . 1 1 34 34 ILE HG23 H 1 0.905 0.030 . 1 . . . . 34 ILE HG2 . 10097 1 377 . 1 1 34 34 ILE HD11 H 1 1.022 0.030 . 1 . . . . 34 ILE HD1 . 10097 1 378 . 1 1 34 34 ILE HD12 H 1 1.022 0.030 . 1 . . . . 34 ILE HD1 . 10097 1 379 . 1 1 34 34 ILE HD13 H 1 1.022 0.030 . 1 . . . . 34 ILE HD1 . 10097 1 380 . 1 1 34 34 ILE C C 13 179.215 0.300 . 1 . . . . 34 ILE C . 10097 1 381 . 1 1 34 34 ILE CA C 13 64.672 0.300 . 1 . . . . 34 ILE CA . 10097 1 382 . 1 1 34 34 ILE CB C 13 37.459 0.300 . 1 . . . . 34 ILE CB . 10097 1 383 . 1 1 34 34 ILE CG1 C 13 29.966 0.300 . 1 . . . . 34 ILE CG1 . 10097 1 384 . 1 1 34 34 ILE CG2 C 13 17.042 0.300 . 1 . . . . 34 ILE CG2 . 10097 1 385 . 1 1 34 34 ILE CD1 C 13 13.332 0.300 . 1 . . . . 34 ILE CD1 . 10097 1 386 . 1 1 34 34 ILE N N 15 121.168 0.300 . 1 . . . . 34 ILE N . 10097 1 387 . 1 1 35 35 LEU H H 1 8.261 0.030 . 1 . . . . 35 LEU H . 10097 1 388 . 1 1 35 35 LEU HA H 1 3.970 0.030 . 1 . . . . 35 LEU HA . 10097 1 389 . 1 1 35 35 LEU HB2 H 1 1.441 0.030 . 2 . . . . 35 LEU HB2 . 10097 1 390 . 1 1 35 35 LEU HB3 H 1 1.741 0.030 . 2 . . . . 35 LEU HB3 . 10097 1 391 . 1 1 35 35 LEU HG H 1 2.000 0.030 . 1 . . . . 35 LEU HG . 10097 1 392 . 1 1 35 35 LEU HD11 H 1 0.841 0.030 . 1 . . . . 35 LEU HD1 . 10097 1 393 . 1 1 35 35 LEU HD12 H 1 0.841 0.030 . 1 . . . . 35 LEU HD1 . 10097 1 394 . 1 1 35 35 LEU HD13 H 1 0.841 0.030 . 1 . . . . 35 LEU HD1 . 10097 1 395 . 1 1 35 35 LEU HD21 H 1 0.079 0.030 . 1 . . . . 35 LEU HD2 . 10097 1 396 . 1 1 35 35 LEU HD22 H 1 0.079 0.030 . 1 . . . . 35 LEU HD2 . 10097 1 397 . 1 1 35 35 LEU HD23 H 1 0.079 0.030 . 1 . . . . 35 LEU HD2 . 10097 1 398 . 1 1 35 35 LEU C C 13 179.390 0.300 . 1 . . . . 35 LEU C . 10097 1 399 . 1 1 35 35 LEU CA C 13 59.064 0.300 . 1 . . . . 35 LEU CA . 10097 1 400 . 1 1 35 35 LEU CB C 13 41.456 0.300 . 1 . . . . 35 LEU CB . 10097 1 401 . 1 1 35 35 LEU CG C 13 26.249 0.300 . 1 . . . . 35 LEU CG . 10097 1 402 . 1 1 35 35 LEU CD1 C 13 23.793 0.300 . 2 . . . . 35 LEU CD1 . 10097 1 403 . 1 1 35 35 LEU CD2 C 13 25.713 0.300 . 2 . . . . 35 LEU CD2 . 10097 1 404 . 1 1 35 35 LEU N N 15 119.705 0.300 . 1 . . . . 35 LEU N . 10097 1 405 . 1 1 36 36 ASP H H 1 9.146 0.030 . 1 . . . . 36 ASP H . 10097 1 406 . 1 1 36 36 ASP HA H 1 4.663 0.030 . 1 . . . . 36 ASP HA . 10097 1 407 . 1 1 36 36 ASP HB2 H 1 2.979 0.030 . 2 . . . . 36 ASP HB2 . 10097 1 408 . 1 1 36 36 ASP HB3 H 1 2.720 0.030 . 2 . . . . 36 ASP HB3 . 10097 1 409 . 1 1 36 36 ASP C C 13 181.721 0.300 . 1 . . . . 36 ASP C . 10097 1 410 . 1 1 36 36 ASP CA C 13 57.519 0.300 . 1 . . . . 36 ASP CA . 10097 1 411 . 1 1 36 36 ASP CB C 13 39.735 0.300 . 1 . . . . 36 ASP CB . 10097 1 412 . 1 1 36 36 ASP N N 15 119.115 0.300 . 1 . . . . 36 ASP N . 10097 1 413 . 1 1 37 37 GLY H H 1 8.338 0.030 . 1 . . . . 37 GLY H . 10097 1 414 . 1 1 37 37 GLY HA2 H 1 3.987 0.030 . 2 . . . . 37 GLY HA2 . 10097 1 415 . 1 1 37 37 GLY HA3 H 1 4.051 0.030 . 2 . . . . 37 GLY HA3 . 10097 1 416 . 1 1 37 37 GLY C C 13 175.709 0.300 . 1 . . . . 37 GLY C . 10097 1 417 . 1 1 37 37 GLY CA C 13 46.962 0.300 . 1 . . . . 37 GLY CA . 10097 1 418 . 1 1 37 37 GLY N N 15 109.426 0.300 . 1 . . . . 37 GLY N . 10097 1 419 . 1 1 38 38 LYS H H 1 7.595 0.030 . 1 . . . . 38 LYS H . 10097 1 420 . 1 1 38 38 LYS HA H 1 4.367 0.030 . 1 . . . . 38 LYS HA . 10097 1 421 . 1 1 38 38 LYS HB2 H 1 1.753 0.030 . 2 . . . . 38 LYS HB2 . 10097 1 422 . 1 1 38 38 LYS HB3 H 1 2.091 0.030 . 2 . . . . 38 LYS HB3 . 10097 1 423 . 1 1 38 38 LYS HG2 H 1 1.472 0.030 . 2 . . . . 38 LYS HG2 . 10097 1 424 . 1 1 38 38 LYS HG3 H 1 1.606 0.030 . 2 . . . . 38 LYS HG3 . 10097 1 425 . 1 1 38 38 LYS HD2 H 1 1.508 0.030 . 2 . . . . 38 LYS HD2 . 10097 1 426 . 1 1 38 38 LYS HD3 H 1 1.672 0.030 . 2 . . . . 38 LYS HD3 . 10097 1 427 . 1 1 38 38 LYS HE2 H 1 2.899 0.030 . 2 . . . . 38 LYS HE2 . 10097 1 428 . 1 1 38 38 LYS HE3 H 1 2.963 0.030 . 2 . . . . 38 LYS HE3 . 10097 1 429 . 1 1 38 38 LYS C C 13 175.077 0.300 . 1 . . . . 38 LYS C . 10097 1 430 . 1 1 38 38 LYS CA C 13 55.678 0.300 . 1 . . . . 38 LYS CA . 10097 1 431 . 1 1 38 38 LYS CB C 13 33.469 0.300 . 1 . . . . 38 LYS CB . 10097 1 432 . 1 1 38 38 LYS CG C 13 25.518 0.300 . 1 . . . . 38 LYS CG . 10097 1 433 . 1 1 38 38 LYS CD C 13 28.891 0.300 . 1 . . . . 38 LYS CD . 10097 1 434 . 1 1 38 38 LYS CE C 13 42.019 0.300 . 1 . . . . 38 LYS CE . 10097 1 435 . 1 1 38 38 LYS N N 15 118.968 0.300 . 1 . . . . 38 LYS N . 10097 1 436 . 1 1 39 39 ARG H H 1 8.063 0.030 . 1 . . . . 39 ARG H . 10097 1 437 . 1 1 39 39 ARG HA H 1 3.954 0.030 . 1 . . . . 39 ARG HA . 10097 1 438 . 1 1 39 39 ARG HB2 H 1 2.011 0.030 . 2 . . . . 39 ARG HB2 . 10097 1 439 . 1 1 39 39 ARG HB3 H 1 2.138 0.030 . 2 . . . . 39 ARG HB3 . 10097 1 440 . 1 1 39 39 ARG HG2 H 1 1.620 0.030 . 1 . . . . 39 ARG HG2 . 10097 1 441 . 1 1 39 39 ARG HG3 H 1 1.620 0.030 . 1 . . . . 39 ARG HG3 . 10097 1 442 . 1 1 39 39 ARG HD2 H 1 3.260 0.030 . 1 . . . . 39 ARG HD2 . 10097 1 443 . 1 1 39 39 ARG HD3 H 1 3.260 0.030 . 1 . . . . 39 ARG HD3 . 10097 1 444 . 1 1 39 39 ARG C C 13 175.512 0.300 . 1 . . . . 39 ARG C . 10097 1 445 . 1 1 39 39 ARG CA C 13 56.998 0.300 . 1 . . . . 39 ARG CA . 10097 1 446 . 1 1 39 39 ARG CB C 13 26.450 0.300 . 1 . . . . 39 ARG CB . 10097 1 447 . 1 1 39 39 ARG CG C 13 27.545 0.300 . 1 . . . . 39 ARG CG . 10097 1 448 . 1 1 39 39 ARG CD C 13 43.454 0.300 . 1 . . . . 39 ARG CD . 10097 1 449 . 1 1 39 39 ARG N N 15 116.226 0.300 . 1 . . . . 39 ARG N . 10097 1 450 . 1 1 40 40 ILE H H 1 7.992 0.030 . 1 . . . . 40 ILE H . 10097 1 451 . 1 1 40 40 ILE HA H 1 4.049 0.030 . 1 . . . . 40 ILE HA . 10097 1 452 . 1 1 40 40 ILE HB H 1 1.662 0.030 . 1 . . . . 40 ILE HB . 10097 1 453 . 1 1 40 40 ILE HG12 H 1 1.577 0.030 . 2 . . . . 40 ILE HG12 . 10097 1 454 . 1 1 40 40 ILE HG13 H 1 1.032 0.030 . 2 . . . . 40 ILE HG13 . 10097 1 455 . 1 1 40 40 ILE HG21 H 1 0.918 0.030 . 1 . . . . 40 ILE HG2 . 10097 1 456 . 1 1 40 40 ILE HG22 H 1 0.918 0.030 . 1 . . . . 40 ILE HG2 . 10097 1 457 . 1 1 40 40 ILE HG23 H 1 0.918 0.030 . 1 . . . . 40 ILE HG2 . 10097 1 458 . 1 1 40 40 ILE HD11 H 1 0.762 0.030 . 1 . . . . 40 ILE HD1 . 10097 1 459 . 1 1 40 40 ILE HD12 H 1 0.762 0.030 . 1 . . . . 40 ILE HD1 . 10097 1 460 . 1 1 40 40 ILE HD13 H 1 0.762 0.030 . 1 . . . . 40 ILE HD1 . 10097 1 461 . 1 1 40 40 ILE C C 13 175.890 0.300 . 1 . . . . 40 ILE C . 10097 1 462 . 1 1 40 40 ILE CA C 13 61.064 0.300 . 1 . . . . 40 ILE CA . 10097 1 463 . 1 1 40 40 ILE CB C 13 39.231 0.300 . 1 . . . . 40 ILE CB . 10097 1 464 . 1 1 40 40 ILE CG1 C 13 28.181 0.300 . 1 . . . . 40 ILE CG1 . 10097 1 465 . 1 1 40 40 ILE CG2 C 13 18.394 0.300 . 1 . . . . 40 ILE CG2 . 10097 1 466 . 1 1 40 40 ILE CD1 C 13 13.633 0.300 . 1 . . . . 40 ILE CD1 . 10097 1 467 . 1 1 40 40 ILE N N 15 120.998 0.300 . 1 . . . . 40 ILE N . 10097 1 468 . 1 1 41 41 GLN H H 1 8.545 0.030 . 1 . . . . 41 GLN H . 10097 1 469 . 1 1 41 41 GLN HA H 1 4.302 0.030 . 1 . . . . 41 GLN HA . 10097 1 470 . 1 1 41 41 GLN HB2 H 1 2.004 0.030 . 2 . . . . 41 GLN HB2 . 10097 1 471 . 1 1 41 41 GLN HB3 H 1 2.045 0.030 . 2 . . . . 41 GLN HB3 . 10097 1 472 . 1 1 41 41 GLN HG2 H 1 2.314 0.030 . 2 . . . . 41 GLN HG2 . 10097 1 473 . 1 1 41 41 GLN HG3 H 1 2.385 0.030 . 2 . . . . 41 GLN HG3 . 10097 1 474 . 1 1 41 41 GLN HE21 H 1 7.455 0.030 . 2 . . . . 41 GLN HE21 . 10097 1 475 . 1 1 41 41 GLN HE22 H 1 6.798 0.030 . 2 . . . . 41 GLN HE22 . 10097 1 476 . 1 1 41 41 GLN C C 13 174.951 0.300 . 1 . . . . 41 GLN C . 10097 1 477 . 1 1 41 41 GLN CA C 13 56.077 0.300 . 1 . . . . 41 GLN CA . 10097 1 478 . 1 1 41 41 GLN CB C 13 29.405 0.300 . 1 . . . . 41 GLN CB . 10097 1 479 . 1 1 41 41 GLN CG C 13 34.105 0.300 . 1 . . . . 41 GLN CG . 10097 1 480 . 1 1 41 41 GLN N N 15 128.054 0.300 . 1 . . . . 41 GLN N . 10097 1 481 . 1 1 41 41 GLN NE2 N 15 112.450 0.300 . 1 . . . . 41 GLN NE2 . 10097 1 482 . 1 1 42 42 TYR H H 1 7.655 0.030 . 1 . . . . 42 TYR H . 10097 1 483 . 1 1 42 42 TYR HA H 1 4.905 0.030 . 1 . . . . 42 TYR HA . 10097 1 484 . 1 1 42 42 TYR HB2 H 1 2.896 0.030 . 2 . . . . 42 TYR HB2 . 10097 1 485 . 1 1 42 42 TYR HB3 H 1 2.413 0.030 . 2 . . . . 42 TYR HB3 . 10097 1 486 . 1 1 42 42 TYR HD1 H 1 6.775 0.030 . 1 . . . . 42 TYR HD1 . 10097 1 487 . 1 1 42 42 TYR HD2 H 1 6.775 0.030 . 1 . . . . 42 TYR HD2 . 10097 1 488 . 1 1 42 42 TYR HE1 H 1 6.756 0.030 . 1 . . . . 42 TYR HE1 . 10097 1 489 . 1 1 42 42 TYR HE2 H 1 6.756 0.030 . 1 . . . . 42 TYR HE2 . 10097 1 490 . 1 1 42 42 TYR C C 13 173.144 0.300 . 1 . . . . 42 TYR C . 10097 1 491 . 1 1 42 42 TYR CA C 13 55.924 0.300 . 1 . . . . 42 TYR CA . 10097 1 492 . 1 1 42 42 TYR CB C 13 40.754 0.300 . 1 . . . . 42 TYR CB . 10097 1 493 . 1 1 42 42 TYR CD1 C 13 134.083 0.300 . 1 . . . . 42 TYR CD1 . 10097 1 494 . 1 1 42 42 TYR CD2 C 13 134.083 0.300 . 1 . . . . 42 TYR CD2 . 10097 1 495 . 1 1 42 42 TYR CE1 C 13 117.608 0.300 . 1 . . . . 42 TYR CE1 . 10097 1 496 . 1 1 42 42 TYR CE2 C 13 117.608 0.300 . 1 . . . . 42 TYR CE2 . 10097 1 497 . 1 1 42 42 TYR N N 15 117.802 0.300 . 1 . . . . 42 TYR N . 10097 1 498 . 1 1 43 43 GLN H H 1 8.377 0.030 . 1 . . . . 43 GLN H . 10097 1 499 . 1 1 43 43 GLN HA H 1 4.519 0.030 . 1 . . . . 43 GLN HA . 10097 1 500 . 1 1 43 43 GLN HB2 H 1 1.874 0.030 . 2 . . . . 43 GLN HB2 . 10097 1 501 . 1 1 43 43 GLN HB3 H 1 1.978 0.030 . 2 . . . . 43 GLN HB3 . 10097 1 502 . 1 1 43 43 GLN HG2 H 1 2.138 0.030 . 2 . . . . 43 GLN HG2 . 10097 1 503 . 1 1 43 43 GLN HG3 H 1 2.339 0.030 . 2 . . . . 43 GLN HG3 . 10097 1 504 . 1 1 43 43 GLN HE21 H 1 6.823 0.030 . 2 . . . . 43 GLN HE21 . 10097 1 505 . 1 1 43 43 GLN HE22 H 1 7.520 0.030 . 2 . . . . 43 GLN HE22 . 10097 1 506 . 1 1 43 43 GLN C C 13 174.633 0.300 . 1 . . . . 43 GLN C . 10097 1 507 . 1 1 43 43 GLN CA C 13 54.059 0.300 . 1 . . . . 43 GLN CA . 10097 1 508 . 1 1 43 43 GLN CB C 13 31.207 0.300 . 1 . . . . 43 GLN CB . 10097 1 509 . 1 1 43 43 GLN CG C 13 33.656 0.300 . 1 . . . . 43 GLN CG . 10097 1 510 . 1 1 43 43 GLN N N 15 119.286 0.300 . 1 . . . . 43 GLN N . 10097 1 511 . 1 1 43 43 GLN NE2 N 15 111.648 0.300 . 1 . . . . 43 GLN NE2 . 10097 1 512 . 1 1 44 44 LEU H H 1 8.931 0.030 . 1 . . . . 44 LEU H . 10097 1 513 . 1 1 44 44 LEU HA H 1 4.973 0.030 . 1 . . . . 44 LEU HA . 10097 1 514 . 1 1 44 44 LEU HB2 H 1 1.826 0.030 . 2 . . . . 44 LEU HB2 . 10097 1 515 . 1 1 44 44 LEU HB3 H 1 1.510 0.030 . 2 . . . . 44 LEU HB3 . 10097 1 516 . 1 1 44 44 LEU HG H 1 1.516 0.030 . 1 . . . . 44 LEU HG . 10097 1 517 . 1 1 44 44 LEU HD11 H 1 0.958 0.030 . 1 . . . . 44 LEU HD1 . 10097 1 518 . 1 1 44 44 LEU HD12 H 1 0.958 0.030 . 1 . . . . 44 LEU HD1 . 10097 1 519 . 1 1 44 44 LEU HD13 H 1 0.958 0.030 . 1 . . . . 44 LEU HD1 . 10097 1 520 . 1 1 44 44 LEU HD21 H 1 0.950 0.030 . 1 . . . . 44 LEU HD2 . 10097 1 521 . 1 1 44 44 LEU HD22 H 1 0.950 0.030 . 1 . . . . 44 LEU HD2 . 10097 1 522 . 1 1 44 44 LEU HD23 H 1 0.950 0.030 . 1 . . . . 44 LEU HD2 . 10097 1 523 . 1 1 44 44 LEU C C 13 176.432 0.300 . 1 . . . . 44 LEU C . 10097 1 524 . 1 1 44 44 LEU CA C 13 54.191 0.300 . 1 . . . . 44 LEU CA . 10097 1 525 . 1 1 44 44 LEU CB C 13 43.514 0.300 . 1 . . . . 44 LEU CB . 10097 1 526 . 1 1 44 44 LEU CG C 13 27.424 0.300 . 1 . . . . 44 LEU CG . 10097 1 527 . 1 1 44 44 LEU CD1 C 13 24.735 0.300 . 2 . . . . 44 LEU CD1 . 10097 1 528 . 1 1 44 44 LEU CD2 C 13 24.980 0.300 . 2 . . . . 44 LEU CD2 . 10097 1 529 . 1 1 44 44 LEU N N 15 129.129 0.300 . 1 . . . . 44 LEU N . 10097 1 530 . 1 1 45 45 VAL H H 1 8.806 0.030 . 1 . . . . 45 VAL H . 10097 1 531 . 1 1 45 45 VAL HA H 1 4.075 0.030 . 1 . . . . 45 VAL HA . 10097 1 532 . 1 1 45 45 VAL HB H 1 1.499 0.030 . 1 . . . . 45 VAL HB . 10097 1 533 . 1 1 45 45 VAL HG11 H 1 0.874 0.030 . 1 . . . . 45 VAL HG1 . 10097 1 534 . 1 1 45 45 VAL HG12 H 1 0.874 0.030 . 1 . . . . 45 VAL HG1 . 10097 1 535 . 1 1 45 45 VAL HG13 H 1 0.874 0.030 . 1 . . . . 45 VAL HG1 . 10097 1 536 . 1 1 45 45 VAL HG21 H 1 0.477 0.030 . 1 . . . . 45 VAL HG2 . 10097 1 537 . 1 1 45 45 VAL HG22 H 1 0.477 0.030 . 1 . . . . 45 VAL HG2 . 10097 1 538 . 1 1 45 45 VAL HG23 H 1 0.477 0.030 . 1 . . . . 45 VAL HG2 . 10097 1 539 . 1 1 45 45 VAL C C 13 174.607 0.300 . 1 . . . . 45 VAL C . 10097 1 540 . 1 1 45 45 VAL CA C 13 61.602 0.300 . 1 . . . . 45 VAL CA . 10097 1 541 . 1 1 45 45 VAL CB C 13 33.353 0.300 . 1 . . . . 45 VAL CB . 10097 1 542 . 1 1 45 45 VAL CG1 C 13 22.584 0.300 . 2 . . . . 45 VAL CG1 . 10097 1 543 . 1 1 45 45 VAL CG2 C 13 20.265 0.300 . 2 . . . . 45 VAL CG2 . 10097 1 544 . 1 1 45 45 VAL N N 15 128.583 0.300 . 1 . . . . 45 VAL N . 10097 1 545 . 1 1 46 46 ASP H H 1 8.697 0.030 . 1 . . . . 46 ASP H . 10097 1 546 . 1 1 46 46 ASP HA H 1 5.088 0.030 . 1 . . . . 46 ASP HA . 10097 1 547 . 1 1 46 46 ASP HB2 H 1 2.958 0.030 . 2 . . . . 46 ASP HB2 . 10097 1 548 . 1 1 46 46 ASP HB3 H 1 2.577 0.030 . 2 . . . . 46 ASP HB3 . 10097 1 549 . 1 1 46 46 ASP C C 13 178.131 0.300 . 1 . . . . 46 ASP C . 10097 1 550 . 1 1 46 46 ASP CA C 13 51.980 0.300 . 1 . . . . 46 ASP CA . 10097 1 551 . 1 1 46 46 ASP CB C 13 40.283 0.300 . 1 . . . . 46 ASP CB . 10097 1 552 . 1 1 46 46 ASP N N 15 127.336 0.300 . 1 . . . . 46 ASP N . 10097 1 553 . 1 1 47 47 ILE H H 1 9.551 0.030 . 1 . . . . 47 ILE H . 10097 1 554 . 1 1 47 47 ILE HA H 1 4.328 0.030 . 1 . . . . 47 ILE HA . 10097 1 555 . 1 1 47 47 ILE HB H 1 2.083 0.030 . 1 . . . . 47 ILE HB . 10097 1 556 . 1 1 47 47 ILE HG12 H 1 1.405 0.030 . 2 . . . . 47 ILE HG12 . 10097 1 557 . 1 1 47 47 ILE HG13 H 1 1.518 0.030 . 2 . . . . 47 ILE HG13 . 10097 1 558 . 1 1 47 47 ILE HG21 H 1 1.345 0.030 . 1 . . . . 47 ILE HG2 . 10097 1 559 . 1 1 47 47 ILE HG22 H 1 1.345 0.030 . 1 . . . . 47 ILE HG2 . 10097 1 560 . 1 1 47 47 ILE HG23 H 1 1.345 0.030 . 1 . . . . 47 ILE HG2 . 10097 1 561 . 1 1 47 47 ILE HD11 H 1 0.917 0.030 . 1 . . . . 47 ILE HD1 . 10097 1 562 . 1 1 47 47 ILE HD12 H 1 0.917 0.030 . 1 . . . . 47 ILE HD1 . 10097 1 563 . 1 1 47 47 ILE HD13 H 1 0.917 0.030 . 1 . . . . 47 ILE HD1 . 10097 1 564 . 1 1 47 47 ILE C C 13 177.078 0.300 . 1 . . . . 47 ILE C . 10097 1 565 . 1 1 47 47 ILE CA C 13 63.338 0.300 . 1 . . . . 47 ILE CA . 10097 1 566 . 1 1 47 47 ILE CB C 13 38.550 0.300 . 1 . . . . 47 ILE CB . 10097 1 567 . 1 1 47 47 ILE CG1 C 13 25.202 0.300 . 1 . . . . 47 ILE CG1 . 10097 1 568 . 1 1 47 47 ILE CG2 C 13 19.637 0.300 . 1 . . . . 47 ILE CG2 . 10097 1 569 . 1 1 47 47 ILE CD1 C 13 15.178 0.300 . 1 . . . . 47 ILE CD1 . 10097 1 570 . 1 1 47 47 ILE N N 15 119.671 0.300 . 1 . . . . 47 ILE N . 10097 1 571 . 1 1 48 48 SER H H 1 8.527 0.030 . 1 . . . . 48 SER H . 10097 1 572 . 1 1 48 48 SER HA H 1 4.169 0.030 . 1 . . . . 48 SER HA . 10097 1 573 . 1 1 48 48 SER HB2 H 1 3.956 0.030 . 2 . . . . 48 SER HB2 . 10097 1 574 . 1 1 48 48 SER HB3 H 1 4.326 0.030 . 2 . . . . 48 SER HB3 . 10097 1 575 . 1 1 48 48 SER C C 13 175.799 0.300 . 1 . . . . 48 SER C . 10097 1 576 . 1 1 48 48 SER CA C 13 61.251 0.300 . 1 . . . . 48 SER CA . 10097 1 577 . 1 1 48 48 SER CB C 13 63.447 0.300 . 1 . . . . 48 SER CB . 10097 1 578 . 1 1 48 48 SER N N 15 117.053 0.300 . 1 . . . . 48 SER N . 10097 1 579 . 1 1 49 49 GLN H H 1 7.707 0.030 . 1 . . . . 49 GLN H . 10097 1 580 . 1 1 49 49 GLN HA H 1 4.249 0.030 . 1 . . . . 49 GLN HA . 10097 1 581 . 1 1 49 49 GLN HB2 H 1 2.290 0.030 . 2 . . . . 49 GLN HB2 . 10097 1 582 . 1 1 49 49 GLN HB3 H 1 1.976 0.030 . 2 . . . . 49 GLN HB3 . 10097 1 583 . 1 1 49 49 GLN HG2 H 1 2.340 0.030 . 2 . . . . 49 GLN HG2 . 10097 1 584 . 1 1 49 49 GLN HG3 H 1 2.426 0.030 . 2 . . . . 49 GLN HG3 . 10097 1 585 . 1 1 49 49 GLN HE21 H 1 7.532 0.030 . 2 . . . . 49 GLN HE21 . 10097 1 586 . 1 1 49 49 GLN HE22 H 1 6.857 0.030 . 2 . . . . 49 GLN HE22 . 10097 1 587 . 1 1 49 49 GLN C C 13 175.888 0.300 . 1 . . . . 49 GLN C . 10097 1 588 . 1 1 49 49 GLN CA C 13 56.301 0.300 . 1 . . . . 49 GLN CA . 10097 1 589 . 1 1 49 49 GLN CB C 13 29.540 0.300 . 1 . . . . 49 GLN CB . 10097 1 590 . 1 1 49 49 GLN CG C 13 33.880 0.300 . 1 . . . . 49 GLN CG . 10097 1 591 . 1 1 49 49 GLN N N 15 118.127 0.300 . 1 . . . . 49 GLN N . 10097 1 592 . 1 1 49 49 GLN NE2 N 15 112.773 0.300 . 1 . . . . 49 GLN NE2 . 10097 1 593 . 1 1 50 50 ASP H H 1 7.096 0.030 . 1 . . . . 50 ASP H . 10097 1 594 . 1 1 50 50 ASP HA H 1 4.724 0.030 . 1 . . . . 50 ASP HA . 10097 1 595 . 1 1 50 50 ASP HB2 H 1 2.683 0.030 . 2 . . . . 50 ASP HB2 . 10097 1 596 . 1 1 50 50 ASP HB3 H 1 2.725 0.030 . 2 . . . . 50 ASP HB3 . 10097 1 597 . 1 1 50 50 ASP C C 13 176.245 0.300 . 1 . . . . 50 ASP C . 10097 1 598 . 1 1 50 50 ASP CA C 13 54.109 0.300 . 1 . . . . 50 ASP CA . 10097 1 599 . 1 1 50 50 ASP CB C 13 43.114 0.300 . 1 . . . . 50 ASP CB . 10097 1 600 . 1 1 50 50 ASP N N 15 115.966 0.300 . 1 . . . . 50 ASP N . 10097 1 601 . 1 1 51 51 ASN H H 1 9.371 0.030 . 1 . . . . 51 ASN H . 10097 1 602 . 1 1 51 51 ASN HA H 1 4.520 0.030 . 1 . . . . 51 ASN HA . 10097 1 603 . 1 1 51 51 ASN HB2 H 1 2.916 0.030 . 2 . . . . 51 ASN HB2 . 10097 1 604 . 1 1 51 51 ASN HB3 H 1 2.869 0.030 . 2 . . . . 51 ASN HB3 . 10097 1 605 . 1 1 51 51 ASN HD21 H 1 7.721 0.030 . 2 . . . . 51 ASN HD21 . 10097 1 606 . 1 1 51 51 ASN HD22 H 1 6.961 0.030 . 2 . . . . 51 ASN HD22 . 10097 1 607 . 1 1 51 51 ASN C C 13 176.811 0.300 . 1 . . . . 51 ASN C . 10097 1 608 . 1 1 51 51 ASN CA C 13 55.850 0.300 . 1 . . . . 51 ASN CA . 10097 1 609 . 1 1 51 51 ASN CB C 13 37.785 0.300 . 1 . . . . 51 ASN CB . 10097 1 610 . 1 1 51 51 ASN N N 15 127.042 0.300 . 1 . . . . 51 ASN N . 10097 1 611 . 1 1 51 51 ASN ND2 N 15 111.936 0.300 . 1 . . . . 51 ASN ND2 . 10097 1 612 . 1 1 52 52 ALA H H 1 9.015 0.030 . 1 . . . . 52 ALA H . 10097 1 613 . 1 1 52 52 ALA HA H 1 4.267 0.030 . 1 . . . . 52 ALA HA . 10097 1 614 . 1 1 52 52 ALA HB1 H 1 1.494 0.030 . 1 . . . . 52 ALA HB . 10097 1 615 . 1 1 52 52 ALA HB2 H 1 1.494 0.030 . 1 . . . . 52 ALA HB . 10097 1 616 . 1 1 52 52 ALA HB3 H 1 1.494 0.030 . 1 . . . . 52 ALA HB . 10097 1 617 . 1 1 52 52 ALA C C 13 181.691 0.300 . 1 . . . . 52 ALA C . 10097 1 618 . 1 1 52 52 ALA CA C 13 55.386 0.300 . 1 . . . . 52 ALA CA . 10097 1 619 . 1 1 52 52 ALA CB C 13 18.108 0.300 . 1 . . . . 52 ALA CB . 10097 1 620 . 1 1 52 52 ALA N N 15 122.621 0.300 . 1 . . . . 52 ALA N . 10097 1 621 . 1 1 53 53 LEU H H 1 7.820 0.030 . 1 . . . . 53 LEU H . 10097 1 622 . 1 1 53 53 LEU HA H 1 4.315 0.030 . 1 . . . . 53 LEU HA . 10097 1 623 . 1 1 53 53 LEU HB2 H 1 2.316 0.030 . 2 . . . . 53 LEU HB2 . 10097 1 624 . 1 1 53 53 LEU HB3 H 1 1.463 0.030 . 2 . . . . 53 LEU HB3 . 10097 1 625 . 1 1 53 53 LEU HG H 1 1.773 0.030 . 1 . . . . 53 LEU HG . 10097 1 626 . 1 1 53 53 LEU HD11 H 1 1.018 0.030 . 1 . . . . 53 LEU HD1 . 10097 1 627 . 1 1 53 53 LEU HD12 H 1 1.018 0.030 . 1 . . . . 53 LEU HD1 . 10097 1 628 . 1 1 53 53 LEU HD13 H 1 1.018 0.030 . 1 . . . . 53 LEU HD1 . 10097 1 629 . 1 1 53 53 LEU HD21 H 1 0.900 0.030 . 1 . . . . 53 LEU HD2 . 10097 1 630 . 1 1 53 53 LEU HD22 H 1 0.900 0.030 . 1 . . . . 53 LEU HD2 . 10097 1 631 . 1 1 53 53 LEU HD23 H 1 0.900 0.030 . 1 . . . . 53 LEU HD2 . 10097 1 632 . 1 1 53 53 LEU C C 13 178.939 0.300 . 1 . . . . 53 LEU C . 10097 1 633 . 1 1 53 53 LEU CA C 13 57.196 0.300 . 1 . . . . 53 LEU CA . 10097 1 634 . 1 1 53 53 LEU CB C 13 42.752 0.300 . 1 . . . . 53 LEU CB . 10097 1 635 . 1 1 53 53 LEU CG C 13 27.087 0.300 . 1 . . . . 53 LEU CG . 10097 1 636 . 1 1 53 53 LEU CD1 C 13 26.167 0.300 . 2 . . . . 53 LEU CD1 . 10097 1 637 . 1 1 53 53 LEU CD2 C 13 22.369 0.300 . 2 . . . . 53 LEU CD2 . 10097 1 638 . 1 1 53 53 LEU N N 15 118.731 0.300 . 1 . . . . 53 LEU N . 10097 1 639 . 1 1 54 54 ARG H H 1 7.172 0.030 . 1 . . . . 54 ARG H . 10097 1 640 . 1 1 54 54 ARG HA H 1 3.863 0.030 . 1 . . . . 54 ARG HA . 10097 1 641 . 1 1 54 54 ARG HB2 H 1 2.089 0.030 . 2 . . . . 54 ARG HB2 . 10097 1 642 . 1 1 54 54 ARG HB3 H 1 2.346 0.030 . 2 . . . . 54 ARG HB3 . 10097 1 643 . 1 1 54 54 ARG HG2 H 1 1.829 0.030 . 2 . . . . 54 ARG HG2 . 10097 1 644 . 1 1 54 54 ARG HG3 H 1 1.342 0.030 . 2 . . . . 54 ARG HG3 . 10097 1 645 . 1 1 54 54 ARG HD2 H 1 3.172 0.030 . 2 . . . . 54 ARG HD2 . 10097 1 646 . 1 1 54 54 ARG HD3 H 1 3.199 0.030 . 2 . . . . 54 ARG HD3 . 10097 1 647 . 1 1 54 54 ARG HE H 1 6.829 0.030 . 1 . . . . 54 ARG HE . 10097 1 648 . 1 1 54 54 ARG C C 13 177.934 0.300 . 1 . . . . 54 ARG C . 10097 1 649 . 1 1 54 54 ARG CA C 13 59.956 0.300 . 1 . . . . 54 ARG CA . 10097 1 650 . 1 1 54 54 ARG CB C 13 29.882 0.300 . 1 . . . . 54 ARG CB . 10097 1 651 . 1 1 54 54 ARG CG C 13 26.094 0.300 . 1 . . . . 54 ARG CG . 10097 1 652 . 1 1 54 54 ARG CD C 13 43.341 0.300 . 1 . . . . 54 ARG CD . 10097 1 653 . 1 1 54 54 ARG N N 15 120.386 0.300 . 1 . . . . 54 ARG N . 10097 1 654 . 1 1 54 54 ARG NE N 15 83.057 0.300 . 1 . . . . 54 ARG NE . 10097 1 655 . 1 1 55 55 ASP H H 1 8.308 0.030 . 1 . . . . 55 ASP H . 10097 1 656 . 1 1 55 55 ASP HA H 1 4.363 0.030 . 1 . . . . 55 ASP HA . 10097 1 657 . 1 1 55 55 ASP HB2 H 1 2.730 0.030 . 1 . . . . 55 ASP HB2 . 10097 1 658 . 1 1 55 55 ASP HB3 H 1 2.730 0.030 . 1 . . . . 55 ASP HB3 . 10097 1 659 . 1 1 55 55 ASP C C 13 178.608 0.300 . 1 . . . . 55 ASP C . 10097 1 660 . 1 1 55 55 ASP CA C 13 57.569 0.300 . 1 . . . . 55 ASP CA . 10097 1 661 . 1 1 55 55 ASP CB C 13 39.478 0.300 . 1 . . . . 55 ASP CB . 10097 1 662 . 1 1 55 55 ASP N N 15 119.567 0.300 . 1 . . . . 55 ASP N . 10097 1 663 . 1 1 56 56 GLU H H 1 8.140 0.030 . 1 . . . . 56 GLU H . 10097 1 664 . 1 1 56 56 GLU HA H 1 4.009 0.030 . 1 . . . . 56 GLU HA . 10097 1 665 . 1 1 56 56 GLU HB2 H 1 2.349 0.030 . 1 . . . . 56 GLU HB2 . 10097 1 666 . 1 1 56 56 GLU HB3 H 1 2.349 0.030 . 1 . . . . 56 GLU HB3 . 10097 1 667 . 1 1 56 56 GLU HG2 H 1 2.456 0.030 . 1 . . . . 56 GLU HG2 . 10097 1 668 . 1 1 56 56 GLU HG3 H 1 2.456 0.030 . 1 . . . . 56 GLU HG3 . 10097 1 669 . 1 1 56 56 GLU C C 13 177.424 0.300 . 1 . . . . 56 GLU C . 10097 1 670 . 1 1 56 56 GLU CA C 13 59.779 0.300 . 1 . . . . 56 GLU CA . 10097 1 671 . 1 1 56 56 GLU CB C 13 31.003 0.300 . 1 . . . . 56 GLU CB . 10097 1 672 . 1 1 56 56 GLU CG C 13 36.818 0.300 . 1 . . . . 56 GLU CG . 10097 1 673 . 1 1 56 56 GLU N N 15 124.256 0.300 . 1 . . . . 56 GLU N . 10097 1 674 . 1 1 57 57 MET H H 1 7.833 0.030 . 1 . . . . 57 MET H . 10097 1 675 . 1 1 57 57 MET HA H 1 2.855 0.030 . 1 . . . . 57 MET HA . 10097 1 676 . 1 1 57 57 MET HB2 H 1 2.341 0.030 . 2 . . . . 57 MET HB2 . 10097 1 677 . 1 1 57 57 MET HB3 H 1 1.513 0.030 . 2 . . . . 57 MET HB3 . 10097 1 678 . 1 1 57 57 MET HG2 H 1 1.593 0.030 . 2 . . . . 57 MET HG2 . 10097 1 679 . 1 1 57 57 MET HG3 H 1 1.712 0.030 . 2 . . . . 57 MET HG3 . 10097 1 680 . 1 1 57 57 MET HE1 H 1 1.844 0.030 . 1 . . . . 57 MET HE . 10097 1 681 . 1 1 57 57 MET HE2 H 1 1.844 0.030 . 1 . . . . 57 MET HE . 10097 1 682 . 1 1 57 57 MET HE3 H 1 1.844 0.030 . 1 . . . . 57 MET HE . 10097 1 683 . 1 1 57 57 MET C C 13 175.786 0.300 . 1 . . . . 57 MET C . 10097 1 684 . 1 1 57 57 MET CA C 13 59.403 0.300 . 1 . . . . 57 MET CA . 10097 1 685 . 1 1 57 57 MET CB C 13 32.510 0.300 . 1 . . . . 57 MET CB . 10097 1 686 . 1 1 57 57 MET CG C 13 31.679 0.300 . 1 . . . . 57 MET CG . 10097 1 687 . 1 1 57 57 MET CE C 13 17.911 0.300 . 1 . . . . 57 MET CE . 10097 1 688 . 1 1 57 57 MET N N 15 118.808 0.300 . 1 . . . . 57 MET N . 10097 1 689 . 1 1 58 58 ARG H H 1 7.783 0.030 . 1 . . . . 58 ARG H . 10097 1 690 . 1 1 58 58 ARG HA H 1 3.631 0.030 . 1 . . . . 58 ARG HA . 10097 1 691 . 1 1 58 58 ARG HB2 H 1 1.886 0.030 . 2 . . . . 58 ARG HB2 . 10097 1 692 . 1 1 58 58 ARG HB3 H 1 1.835 0.030 . 2 . . . . 58 ARG HB3 . 10097 1 693 . 1 1 58 58 ARG HG2 H 1 1.659 0.030 . 2 . . . . 58 ARG HG2 . 10097 1 694 . 1 1 58 58 ARG HG3 H 1 1.840 0.030 . 2 . . . . 58 ARG HG3 . 10097 1 695 . 1 1 58 58 ARG HD2 H 1 3.056 0.030 . 2 . . . . 58 ARG HD2 . 10097 1 696 . 1 1 58 58 ARG HD3 H 1 3.153 0.030 . 2 . . . . 58 ARG HD3 . 10097 1 697 . 1 1 58 58 ARG HE H 1 7.152 0.030 . 1 . . . . 58 ARG HE . 10097 1 698 . 1 1 58 58 ARG C C 13 178.827 0.300 . 1 . . . . 58 ARG C . 10097 1 699 . 1 1 58 58 ARG CA C 13 60.092 0.300 . 1 . . . . 58 ARG CA . 10097 1 700 . 1 1 58 58 ARG CB C 13 30.753 0.300 . 1 . . . . 58 ARG CB . 10097 1 701 . 1 1 58 58 ARG CG C 13 29.203 0.300 . 1 . . . . 58 ARG CG . 10097 1 702 . 1 1 58 58 ARG CD C 13 44.215 0.300 . 1 . . . . 58 ARG CD . 10097 1 703 . 1 1 58 58 ARG N N 15 116.168 0.300 . 1 . . . . 58 ARG N . 10097 1 704 . 1 1 58 58 ARG NE N 15 85.110 0.300 . 1 . . . . 58 ARG NE . 10097 1 705 . 1 1 59 59 THR H H 1 8.428 0.030 . 1 . . . . 59 THR H . 10097 1 706 . 1 1 59 59 THR HA H 1 3.782 0.030 . 1 . . . . 59 THR HA . 10097 1 707 . 1 1 59 59 THR HB H 1 4.252 0.030 . 1 . . . . 59 THR HB . 10097 1 708 . 1 1 59 59 THR HG21 H 1 1.151 0.030 . 1 . . . . 59 THR HG2 . 10097 1 709 . 1 1 59 59 THR HG22 H 1 1.151 0.030 . 1 . . . . 59 THR HG2 . 10097 1 710 . 1 1 59 59 THR HG23 H 1 1.151 0.030 . 1 . . . . 59 THR HG2 . 10097 1 711 . 1 1 59 59 THR C C 13 177.612 0.300 . 1 . . . . 59 THR C . 10097 1 712 . 1 1 59 59 THR CA C 13 66.812 0.300 . 1 . . . . 59 THR CA . 10097 1 713 . 1 1 59 59 THR CB C 13 68.468 0.300 . 1 . . . . 59 THR CB . 10097 1 714 . 1 1 59 59 THR CG2 C 13 21.459 0.300 . 1 . . . . 59 THR CG2 . 10097 1 715 . 1 1 59 59 THR N N 15 118.830 0.300 . 1 . . . . 59 THR N . 10097 1 716 . 1 1 60 60 LEU H H 1 8.269 0.030 . 1 . . . . 60 LEU H . 10097 1 717 . 1 1 60 60 LEU HA H 1 3.894 0.030 . 1 . . . . 60 LEU HA . 10097 1 718 . 1 1 60 60 LEU HB2 H 1 1.702 0.030 . 2 . . . . 60 LEU HB2 . 10097 1 719 . 1 1 60 60 LEU HB3 H 1 1.079 0.030 . 2 . . . . 60 LEU HB3 . 10097 1 720 . 1 1 60 60 LEU HG H 1 1.735 0.030 . 1 . . . . 60 LEU HG . 10097 1 721 . 1 1 60 60 LEU HD11 H 1 0.857 0.030 . 1 . . . . 60 LEU HD1 . 10097 1 722 . 1 1 60 60 LEU HD12 H 1 0.857 0.030 . 1 . . . . 60 LEU HD1 . 10097 1 723 . 1 1 60 60 LEU HD13 H 1 0.857 0.030 . 1 . . . . 60 LEU HD1 . 10097 1 724 . 1 1 60 60 LEU HD21 H 1 0.917 0.030 . 1 . . . . 60 LEU HD2 . 10097 1 725 . 1 1 60 60 LEU HD22 H 1 0.917 0.030 . 1 . . . . 60 LEU HD2 . 10097 1 726 . 1 1 60 60 LEU HD23 H 1 0.917 0.030 . 1 . . . . 60 LEU HD2 . 10097 1 727 . 1 1 60 60 LEU C C 13 177.321 0.300 . 1 . . . . 60 LEU C . 10097 1 728 . 1 1 60 60 LEU CA C 13 57.921 0.300 . 1 . . . . 60 LEU CA . 10097 1 729 . 1 1 60 60 LEU CB C 13 41.897 0.300 . 1 . . . . 60 LEU CB . 10097 1 730 . 1 1 60 60 LEU CG C 13 27.691 0.300 . 1 . . . . 60 LEU CG . 10097 1 731 . 1 1 60 60 LEU CD1 C 13 23.001 0.300 . 2 . . . . 60 LEU CD1 . 10097 1 732 . 1 1 60 60 LEU CD2 C 13 26.891 0.300 . 2 . . . . 60 LEU CD2 . 10097 1 733 . 1 1 60 60 LEU N N 15 123.686 0.300 . 1 . . . . 60 LEU N . 10097 1 734 . 1 1 61 61 ALA H H 1 7.579 0.030 . 1 . . . . 61 ALA H . 10097 1 735 . 1 1 61 61 ALA HA H 1 2.319 0.030 . 1 . . . . 61 ALA HA . 10097 1 736 . 1 1 61 61 ALA HB1 H 1 0.918 0.030 . 1 . . . . 61 ALA HB . 10097 1 737 . 1 1 61 61 ALA HB2 H 1 0.918 0.030 . 1 . . . . 61 ALA HB . 10097 1 738 . 1 1 61 61 ALA HB3 H 1 0.918 0.030 . 1 . . . . 61 ALA HB . 10097 1 739 . 1 1 61 61 ALA C C 13 177.170 0.300 . 1 . . . . 61 ALA C . 10097 1 740 . 1 1 61 61 ALA CA C 13 51.640 0.300 . 1 . . . . 61 ALA CA . 10097 1 741 . 1 1 61 61 ALA CB C 13 18.310 0.300 . 1 . . . . 61 ALA CB . 10097 1 742 . 1 1 61 61 ALA N N 15 116.033 0.300 . 1 . . . . 61 ALA N . 10097 1 743 . 1 1 62 62 GLY H H 1 7.368 0.030 . 1 . . . . 62 GLY H . 10097 1 744 . 1 1 62 62 GLY HA2 H 1 3.746 0.030 . 2 . . . . 62 GLY HA2 . 10097 1 745 . 1 1 62 62 GLY HA3 H 1 3.689 0.030 . 2 . . . . 62 GLY HA3 . 10097 1 746 . 1 1 62 62 GLY C C 13 174.228 0.300 . 1 . . . . 62 GLY C . 10097 1 747 . 1 1 62 62 GLY CA C 13 46.131 0.300 . 1 . . . . 62 GLY CA . 10097 1 748 . 1 1 62 62 GLY N N 15 106.764 0.300 . 1 . . . . 62 GLY N . 10097 1 749 . 1 1 63 63 ASN H H 1 7.107 0.030 . 1 . . . . 63 ASN H . 10097 1 750 . 1 1 63 63 ASN HA H 1 5.149 0.030 . 1 . . . . 63 ASN HA . 10097 1 751 . 1 1 63 63 ASN HB2 H 1 2.786 0.030 . 2 . . . . 63 ASN HB2 . 10097 1 752 . 1 1 63 63 ASN HB3 H 1 2.578 0.030 . 2 . . . . 63 ASN HB3 . 10097 1 753 . 1 1 63 63 ASN HD21 H 1 7.960 0.030 . 2 . . . . 63 ASN HD21 . 10097 1 754 . 1 1 63 63 ASN HD22 H 1 7.166 0.030 . 2 . . . . 63 ASN HD22 . 10097 1 755 . 1 1 63 63 ASN C C 13 173.711 0.300 . 1 . . . . 63 ASN C . 10097 1 756 . 1 1 63 63 ASN CA C 13 49.428 0.300 . 1 . . . . 63 ASN CA . 10097 1 757 . 1 1 63 63 ASN CB C 13 40.664 0.300 . 1 . . . . 63 ASN CB . 10097 1 758 . 1 1 63 63 ASN N N 15 112.436 0.300 . 1 . . . . 63 ASN N . 10097 1 759 . 1 1 63 63 ASN ND2 N 15 111.770 0.300 . 1 . . . . 63 ASN ND2 . 10097 1 760 . 1 1 64 64 PRO HA H 1 4.296 0.030 . 1 . . . . 64 PRO HA . 10097 1 761 . 1 1 64 64 PRO HB2 H 1 2.375 0.030 . 2 . . . . 64 PRO HB2 . 10097 1 762 . 1 1 64 64 PRO HB3 H 1 1.963 0.030 . 2 . . . . 64 PRO HB3 . 10097 1 763 . 1 1 64 64 PRO HG2 H 1 1.950 0.030 . 2 . . . . 64 PRO HG2 . 10097 1 764 . 1 1 64 64 PRO HG3 H 1 2.000 0.030 . 2 . . . . 64 PRO HG3 . 10097 1 765 . 1 1 64 64 PRO HD2 H 1 3.714 0.030 . 2 . . . . 64 PRO HD2 . 10097 1 766 . 1 1 64 64 PRO HD3 H 1 3.906 0.030 . 2 . . . . 64 PRO HD3 . 10097 1 767 . 1 1 64 64 PRO C C 13 176.079 0.300 . 1 . . . . 64 PRO C . 10097 1 768 . 1 1 64 64 PRO CA C 13 64.116 0.300 . 1 . . . . 64 PRO CA . 10097 1 769 . 1 1 64 64 PRO CB C 13 32.753 0.300 . 1 . . . . 64 PRO CB . 10097 1 770 . 1 1 64 64 PRO CG C 13 26.916 0.300 . 1 . . . . 64 PRO CG . 10097 1 771 . 1 1 64 64 PRO CD C 13 51.430 0.300 . 1 . . . . 64 PRO CD . 10097 1 772 . 1 1 65 65 LYS H H 1 7.763 0.030 . 1 . . . . 65 LYS H . 10097 1 773 . 1 1 65 65 LYS HA H 1 4.393 0.030 . 1 . . . . 65 LYS HA . 10097 1 774 . 1 1 65 65 LYS HB2 H 1 2.032 0.030 . 2 . . . . 65 LYS HB2 . 10097 1 775 . 1 1 65 65 LYS HB3 H 1 1.640 0.030 . 2 . . . . 65 LYS HB3 . 10097 1 776 . 1 1 65 65 LYS HG2 H 1 1.315 0.030 . 2 . . . . 65 LYS HG2 . 10097 1 777 . 1 1 65 65 LYS HG3 H 1 1.378 0.030 . 2 . . . . 65 LYS HG3 . 10097 1 778 . 1 1 65 65 LYS HD2 H 1 1.671 0.030 . 1 . . . . 65 LYS HD2 . 10097 1 779 . 1 1 65 65 LYS HD3 H 1 1.671 0.030 . 1 . . . . 65 LYS HD3 . 10097 1 780 . 1 1 65 65 LYS HE2 H 1 2.987 0.030 . 1 . . . . 65 LYS HE2 . 10097 1 781 . 1 1 65 65 LYS HE3 H 1 2.987 0.030 . 1 . . . . 65 LYS HE3 . 10097 1 782 . 1 1 65 65 LYS C C 13 176.781 0.300 . 1 . . . . 65 LYS C . 10097 1 783 . 1 1 65 65 LYS CA C 13 54.348 0.300 . 1 . . . . 65 LYS CA . 10097 1 784 . 1 1 65 65 LYS CB C 13 32.319 0.300 . 1 . . . . 65 LYS CB . 10097 1 785 . 1 1 65 65 LYS CG C 13 25.143 0.300 . 1 . . . . 65 LYS CG . 10097 1 786 . 1 1 65 65 LYS CD C 13 28.936 0.300 . 1 . . . . 65 LYS CD . 10097 1 787 . 1 1 65 65 LYS CE C 13 42.130 0.300 . 1 . . . . 65 LYS CE . 10097 1 788 . 1 1 65 65 LYS N N 15 114.657 0.300 . 1 . . . . 65 LYS N . 10097 1 789 . 1 1 66 66 ALA H H 1 7.418 0.030 . 1 . . . . 66 ALA H . 10097 1 790 . 1 1 66 66 ALA HA H 1 4.143 0.030 . 1 . . . . 66 ALA HA . 10097 1 791 . 1 1 66 66 ALA HB1 H 1 1.325 0.030 . 1 . . . . 66 ALA HB . 10097 1 792 . 1 1 66 66 ALA HB2 H 1 1.325 0.030 . 1 . . . . 66 ALA HB . 10097 1 793 . 1 1 66 66 ALA HB3 H 1 1.325 0.030 . 1 . . . . 66 ALA HB . 10097 1 794 . 1 1 66 66 ALA C C 13 176.641 0.300 . 1 . . . . 66 ALA C . 10097 1 795 . 1 1 66 66 ALA CA C 13 53.561 0.300 . 1 . . . . 66 ALA CA . 10097 1 796 . 1 1 66 66 ALA CB C 13 18.740 0.300 . 1 . . . . 66 ALA CB . 10097 1 797 . 1 1 66 66 ALA N N 15 122.439 0.300 . 1 . . . . 66 ALA N . 10097 1 798 . 1 1 67 67 THR H H 1 8.627 0.030 . 1 . . . . 67 THR H . 10097 1 799 . 1 1 67 67 THR HA H 1 4.877 0.030 . 1 . . . . 67 THR HA . 10097 1 800 . 1 1 67 67 THR HB H 1 4.281 0.030 . 1 . . . . 67 THR HB . 10097 1 801 . 1 1 67 67 THR HG21 H 1 1.317 0.030 . 1 . . . . 67 THR HG2 . 10097 1 802 . 1 1 67 67 THR HG22 H 1 1.317 0.030 . 1 . . . . 67 THR HG2 . 10097 1 803 . 1 1 67 67 THR HG23 H 1 1.317 0.030 . 1 . . . . 67 THR HG2 . 10097 1 804 . 1 1 67 67 THR C C 13 171.696 0.300 . 1 . . . . 67 THR C . 10097 1 805 . 1 1 67 67 THR CA C 13 58.370 0.300 . 1 . . . . 67 THR CA . 10097 1 806 . 1 1 67 67 THR CB C 13 70.131 0.300 . 1 . . . . 67 THR CB . 10097 1 807 . 1 1 67 67 THR CG2 C 13 21.717 0.300 . 1 . . . . 67 THR CG2 . 10097 1 808 . 1 1 67 67 THR N N 15 113.633 0.300 . 1 . . . . 67 THR N . 10097 1 809 . 1 1 68 68 PRO HA H 1 4.476 0.030 . 1 . . . . 68 PRO HA . 10097 1 810 . 1 1 68 68 PRO HB2 H 1 2.159 0.030 . 2 . . . . 68 PRO HB2 . 10097 1 811 . 1 1 68 68 PRO HB3 H 1 2.567 0.030 . 2 . . . . 68 PRO HB3 . 10097 1 812 . 1 1 68 68 PRO HG2 H 1 1.777 0.030 . 2 . . . . 68 PRO HG2 . 10097 1 813 . 1 1 68 68 PRO HG3 H 1 1.992 0.030 . 2 . . . . 68 PRO HG3 . 10097 1 814 . 1 1 68 68 PRO HD2 H 1 3.717 0.030 . 2 . . . . 68 PRO HD2 . 10097 1 815 . 1 1 68 68 PRO HD3 H 1 3.732 0.030 . 2 . . . . 68 PRO HD3 . 10097 1 816 . 1 1 68 68 PRO CA C 13 62.245 0.300 . 1 . . . . 68 PRO CA . 10097 1 817 . 1 1 68 68 PRO CB C 13 31.008 0.300 . 1 . . . . 68 PRO CB . 10097 1 818 . 1 1 68 68 PRO CG C 13 28.351 0.300 . 1 . . . . 68 PRO CG . 10097 1 819 . 1 1 68 68 PRO CD C 13 51.042 0.300 . 1 . . . . 68 PRO CD . 10097 1 820 . 1 1 69 69 PRO HA H 1 5.486 0.030 . 1 . . . . 69 PRO HA . 10097 1 821 . 1 1 69 69 PRO HB2 H 1 1.763 0.030 . 2 . . . . 69 PRO HB2 . 10097 1 822 . 1 1 69 69 PRO HB3 H 1 2.142 0.030 . 2 . . . . 69 PRO HB3 . 10097 1 823 . 1 1 69 69 PRO HG2 H 1 2.049 0.030 . 2 . . . . 69 PRO HG2 . 10097 1 824 . 1 1 69 69 PRO HG3 H 1 1.730 0.030 . 2 . . . . 69 PRO HG3 . 10097 1 825 . 1 1 69 69 PRO HD2 H 1 3.367 0.030 . 2 . . . . 69 PRO HD2 . 10097 1 826 . 1 1 69 69 PRO HD3 H 1 4.223 0.030 . 2 . . . . 69 PRO HD3 . 10097 1 827 . 1 1 69 69 PRO C C 13 175.982 0.300 . 1 . . . . 69 PRO C . 10097 1 828 . 1 1 69 69 PRO CA C 13 61.064 0.300 . 1 . . . . 69 PRO CA . 10097 1 829 . 1 1 69 69 PRO CB C 13 34.823 0.300 . 1 . . . . 69 PRO CB . 10097 1 830 . 1 1 69 69 PRO CG C 13 24.860 0.300 . 1 . . . . 69 PRO CG . 10097 1 831 . 1 1 69 69 PRO CD C 13 50.284 0.300 . 1 . . . . 69 PRO CD . 10097 1 832 . 1 1 70 70 GLN H H 1 7.785 0.030 . 1 . . . . 70 GLN H . 10097 1 833 . 1 1 70 70 GLN HA H 1 5.074 0.030 . 1 . . . . 70 GLN HA . 10097 1 834 . 1 1 70 70 GLN HB2 H 1 1.617 0.030 . 2 . . . . 70 GLN HB2 . 10097 1 835 . 1 1 70 70 GLN HB3 H 1 1.905 0.030 . 2 . . . . 70 GLN HB3 . 10097 1 836 . 1 1 70 70 GLN HG2 H 1 2.451 0.030 . 2 . . . . 70 GLN HG2 . 10097 1 837 . 1 1 70 70 GLN HG3 H 1 2.554 0.030 . 2 . . . . 70 GLN HG3 . 10097 1 838 . 1 1 70 70 GLN HE21 H 1 8.180 0.030 . 2 . . . . 70 GLN HE21 . 10097 1 839 . 1 1 70 70 GLN HE22 H 1 7.404 0.030 . 2 . . . . 70 GLN HE22 . 10097 1 840 . 1 1 70 70 GLN C C 13 174.822 0.300 . 1 . . . . 70 GLN C . 10097 1 841 . 1 1 70 70 GLN CA C 13 54.297 0.300 . 1 . . . . 70 GLN CA . 10097 1 842 . 1 1 70 70 GLN CB C 13 32.237 0.300 . 1 . . . . 70 GLN CB . 10097 1 843 . 1 1 70 70 GLN CG C 13 32.113 0.300 . 1 . . . . 70 GLN CG . 10097 1 844 . 1 1 70 70 GLN N N 15 116.122 0.300 . 1 . . . . 70 GLN N . 10097 1 845 . 1 1 70 70 GLN NE2 N 15 111.622 0.300 . 1 . . . . 70 GLN NE2 . 10097 1 846 . 1 1 71 71 ILE H H 1 8.993 0.030 . 1 . . . . 71 ILE H . 10097 1 847 . 1 1 71 71 ILE HA H 1 5.123 0.030 . 1 . . . . 71 ILE HA . 10097 1 848 . 1 1 71 71 ILE HB H 1 1.711 0.030 . 1 . . . . 71 ILE HB . 10097 1 849 . 1 1 71 71 ILE HG12 H 1 1.483 0.030 . 2 . . . . 71 ILE HG12 . 10097 1 850 . 1 1 71 71 ILE HG13 H 1 0.982 0.030 . 2 . . . . 71 ILE HG13 . 10097 1 851 . 1 1 71 71 ILE HG21 H 1 0.872 0.030 . 1 . . . . 71 ILE HG2 . 10097 1 852 . 1 1 71 71 ILE HG22 H 1 0.872 0.030 . 1 . . . . 71 ILE HG2 . 10097 1 853 . 1 1 71 71 ILE HG23 H 1 0.872 0.030 . 1 . . . . 71 ILE HG2 . 10097 1 854 . 1 1 71 71 ILE HD11 H 1 0.773 0.030 . 1 . . . . 71 ILE HD1 . 10097 1 855 . 1 1 71 71 ILE HD12 H 1 0.773 0.030 . 1 . . . . 71 ILE HD1 . 10097 1 856 . 1 1 71 71 ILE HD13 H 1 0.773 0.030 . 1 . . . . 71 ILE HD1 . 10097 1 857 . 1 1 71 71 ILE C C 13 174.623 0.300 . 1 . . . . 71 ILE C . 10097 1 858 . 1 1 71 71 ILE CA C 13 62.267 0.300 . 1 . . . . 71 ILE CA . 10097 1 859 . 1 1 71 71 ILE CB C 13 40.793 0.300 . 1 . . . . 71 ILE CB . 10097 1 860 . 1 1 71 71 ILE CG1 C 13 29.562 0.300 . 1 . . . . 71 ILE CG1 . 10097 1 861 . 1 1 71 71 ILE CG2 C 13 19.612 0.300 . 1 . . . . 71 ILE CG2 . 10097 1 862 . 1 1 71 71 ILE CD1 C 13 15.565 0.300 . 1 . . . . 71 ILE CD1 . 10097 1 863 . 1 1 71 71 ILE N N 15 123.144 0.300 . 1 . . . . 71 ILE N . 10097 1 864 . 1 1 72 72 VAL H H 1 9.013 0.030 . 1 . . . . 72 VAL H . 10097 1 865 . 1 1 72 72 VAL HA H 1 4.848 0.030 . 1 . . . . 72 VAL HA . 10097 1 866 . 1 1 72 72 VAL HB H 1 2.164 0.030 . 1 . . . . 72 VAL HB . 10097 1 867 . 1 1 72 72 VAL HG11 H 1 1.070 0.030 . 1 . . . . 72 VAL HG1 . 10097 1 868 . 1 1 72 72 VAL HG12 H 1 1.070 0.030 . 1 . . . . 72 VAL HG1 . 10097 1 869 . 1 1 72 72 VAL HG13 H 1 1.070 0.030 . 1 . . . . 72 VAL HG1 . 10097 1 870 . 1 1 72 72 VAL HG21 H 1 1.185 0.030 . 1 . . . . 72 VAL HG2 . 10097 1 871 . 1 1 72 72 VAL HG22 H 1 1.185 0.030 . 1 . . . . 72 VAL HG2 . 10097 1 872 . 1 1 72 72 VAL HG23 H 1 1.185 0.030 . 1 . . . . 72 VAL HG2 . 10097 1 873 . 1 1 72 72 VAL C C 13 172.683 0.300 . 1 . . . . 72 VAL C . 10097 1 874 . 1 1 72 72 VAL CA C 13 60.281 0.300 . 1 . . . . 72 VAL CA . 10097 1 875 . 1 1 72 72 VAL CB C 13 36.730 0.300 . 1 . . . . 72 VAL CB . 10097 1 876 . 1 1 72 72 VAL CG1 C 13 21.796 0.300 . 2 . . . . 72 VAL CG1 . 10097 1 877 . 1 1 72 72 VAL CG2 C 13 22.003 0.300 . 2 . . . . 72 VAL CG2 . 10097 1 878 . 1 1 72 72 VAL N N 15 125.950 0.300 . 1 . . . . 72 VAL N . 10097 1 879 . 1 1 73 73 ASN H H 1 9.158 0.030 . 1 . . . . 73 ASN H . 10097 1 880 . 1 1 73 73 ASN HA H 1 5.112 0.030 . 1 . . . . 73 ASN HA . 10097 1 881 . 1 1 73 73 ASN HB2 H 1 2.868 0.030 . 2 . . . . 73 ASN HB2 . 10097 1 882 . 1 1 73 73 ASN HB3 H 1 2.379 0.030 . 2 . . . . 73 ASN HB3 . 10097 1 883 . 1 1 73 73 ASN HD21 H 1 6.596 0.030 . 2 . . . . 73 ASN HD21 . 10097 1 884 . 1 1 73 73 ASN HD22 H 1 8.083 0.030 . 2 . . . . 73 ASN HD22 . 10097 1 885 . 1 1 73 73 ASN C C 13 177.117 0.300 . 1 . . . . 73 ASN C . 10097 1 886 . 1 1 73 73 ASN CA C 13 51.842 0.300 . 1 . . . . 73 ASN CA . 10097 1 887 . 1 1 73 73 ASN CB C 13 39.007 0.300 . 1 . . . . 73 ASN CB . 10097 1 888 . 1 1 73 73 ASN N N 15 122.899 0.300 . 1 . . . . 73 ASN N . 10097 1 889 . 1 1 73 73 ASN ND2 N 15 109.813 0.300 . 1 . . . . 73 ASN ND2 . 10097 1 890 . 1 1 74 74 GLY H H 1 8.598 0.030 . 1 . . . . 74 GLY H . 10097 1 891 . 1 1 74 74 GLY HA2 H 1 3.675 0.030 . 2 . . . . 74 GLY HA2 . 10097 1 892 . 1 1 74 74 GLY HA3 H 1 4.069 0.030 . 2 . . . . 74 GLY HA3 . 10097 1 893 . 1 1 74 74 GLY C C 13 173.650 0.300 . 1 . . . . 74 GLY C . 10097 1 894 . 1 1 74 74 GLY CA C 13 47.823 0.300 . 1 . . . . 74 GLY CA . 10097 1 895 . 1 1 74 74 GLY N N 15 115.257 0.300 . 1 . . . . 74 GLY N . 10097 1 896 . 1 1 75 75 ASN H H 1 8.781 0.030 . 1 . . . . 75 ASN H . 10097 1 897 . 1 1 75 75 ASN HA H 1 4.814 0.030 . 1 . . . . 75 ASN HA . 10097 1 898 . 1 1 75 75 ASN HB2 H 1 2.670 0.030 . 2 . . . . 75 ASN HB2 . 10097 1 899 . 1 1 75 75 ASN HB3 H 1 2.830 0.030 . 2 . . . . 75 ASN HB3 . 10097 1 900 . 1 1 75 75 ASN HD21 H 1 7.505 0.030 . 2 . . . . 75 ASN HD21 . 10097 1 901 . 1 1 75 75 ASN HD22 H 1 6.838 0.030 . 2 . . . . 75 ASN HD22 . 10097 1 902 . 1 1 75 75 ASN C C 13 174.175 0.300 . 1 . . . . 75 ASN C . 10097 1 903 . 1 1 75 75 ASN CA C 13 52.486 0.300 . 1 . . . . 75 ASN CA . 10097 1 904 . 1 1 75 75 ASN CB C 13 38.846 0.300 . 1 . . . . 75 ASN CB . 10097 1 905 . 1 1 75 75 ASN N N 15 124.968 0.300 . 1 . . . . 75 ASN N . 10097 1 906 . 1 1 75 75 ASN ND2 N 15 111.941 0.300 . 1 . . . . 75 ASN ND2 . 10097 1 907 . 1 1 76 76 HIS H H 1 8.365 0.030 . 1 . . . . 76 HIS H . 10097 1 908 . 1 1 76 76 HIS HA H 1 4.735 0.030 . 1 . . . . 76 HIS HA . 10097 1 909 . 1 1 76 76 HIS HB2 H 1 3.301 0.030 . 2 . . . . 76 HIS HB2 . 10097 1 910 . 1 1 76 76 HIS HB3 H 1 3.145 0.030 . 2 . . . . 76 HIS HB3 . 10097 1 911 . 1 1 76 76 HIS HD2 H 1 7.094 0.030 . 1 . . . . 76 HIS HD2 . 10097 1 912 . 1 1 76 76 HIS HE1 H 1 8.037 0.030 . 1 . . . . 76 HIS HE1 . 10097 1 913 . 1 1 76 76 HIS C C 13 173.970 0.300 . 1 . . . . 76 HIS C . 10097 1 914 . 1 1 76 76 HIS CA C 13 55.453 0.300 . 1 . . . . 76 HIS CA . 10097 1 915 . 1 1 76 76 HIS CB C 13 31.214 0.300 . 1 . . . . 76 HIS CB . 10097 1 916 . 1 1 76 76 HIS CD2 C 13 120.297 0.300 . 1 . . . . 76 HIS CD2 . 10097 1 917 . 1 1 76 76 HIS CE1 C 13 138.286 0.300 . 1 . . . . 76 HIS CE1 . 10097 1 918 . 1 1 76 76 HIS N N 15 119.609 0.300 . 1 . . . . 76 HIS N . 10097 1 919 . 1 1 77 77 TYR H H 1 8.992 0.030 . 1 . . . . 77 TYR H . 10097 1 920 . 1 1 77 77 TYR HA H 1 4.393 0.030 . 1 . . . . 77 TYR HA . 10097 1 921 . 1 1 77 77 TYR HB2 H 1 3.014 0.030 . 2 . . . . 77 TYR HB2 . 10097 1 922 . 1 1 77 77 TYR HB3 H 1 2.787 0.030 . 2 . . . . 77 TYR HB3 . 10097 1 923 . 1 1 77 77 TYR HD1 H 1 6.922 0.030 . 1 . . . . 77 TYR HD1 . 10097 1 924 . 1 1 77 77 TYR HD2 H 1 6.922 0.030 . 1 . . . . 77 TYR HD2 . 10097 1 925 . 1 1 77 77 TYR HE1 H 1 7.068 0.030 . 1 . . . . 77 TYR HE1 . 10097 1 926 . 1 1 77 77 TYR HE2 H 1 7.068 0.030 . 1 . . . . 77 TYR HE2 . 10097 1 927 . 1 1 77 77 TYR C C 13 174.414 0.300 . 1 . . . . 77 TYR C . 10097 1 928 . 1 1 77 77 TYR CA C 13 58.388 0.300 . 1 . . . . 77 TYR CA . 10097 1 929 . 1 1 77 77 TYR CB C 13 38.550 0.300 . 1 . . . . 77 TYR CB . 10097 1 930 . 1 1 77 77 TYR CD1 C 13 132.591 0.300 . 1 . . . . 77 TYR CD1 . 10097 1 931 . 1 1 77 77 TYR CD2 C 13 132.591 0.300 . 1 . . . . 77 TYR CD2 . 10097 1 932 . 1 1 77 77 TYR CE1 C 13 118.175 0.300 . 1 . . . . 77 TYR CE1 . 10097 1 933 . 1 1 77 77 TYR CE2 C 13 118.175 0.300 . 1 . . . . 77 TYR CE2 . 10097 1 934 . 1 1 77 77 TYR N N 15 128.057 0.300 . 1 . . . . 77 TYR N . 10097 1 935 . 1 1 78 78 CYS H H 1 8.296 0.030 . 1 . . . . 78 CYS H . 10097 1 936 . 1 1 78 78 CYS HA H 1 4.103 0.030 . 1 . . . . 78 CYS HA . 10097 1 937 . 1 1 78 78 CYS HB2 H 1 2.045 0.030 . 2 . . . . 78 CYS HB2 . 10097 1 938 . 1 1 78 78 CYS HB3 H 1 1.653 0.030 . 2 . . . . 78 CYS HB3 . 10097 1 939 . 1 1 78 78 CYS C C 13 173.722 0.300 . 1 . . . . 78 CYS C . 10097 1 940 . 1 1 78 78 CYS CA C 13 59.801 0.300 . 1 . . . . 78 CYS CA . 10097 1 941 . 1 1 78 78 CYS CB C 13 27.059 0.300 . 1 . . . . 78 CYS CB . 10097 1 942 . 1 1 78 78 CYS N N 15 126.452 0.300 . 1 . . . . 78 CYS N . 10097 1 943 . 1 1 79 79 GLY H H 1 6.711 0.030 . 1 . . . . 79 GLY H . 10097 1 944 . 1 1 79 79 GLY HA2 H 1 4.301 0.030 . 2 . . . . 79 GLY HA2 . 10097 1 945 . 1 1 79 79 GLY HA3 H 1 3.524 0.030 . 2 . . . . 79 GLY HA3 . 10097 1 946 . 1 1 79 79 GLY C C 13 168.671 0.300 . 1 . . . . 79 GLY C . 10097 1 947 . 1 1 79 79 GLY CA C 13 46.192 0.300 . 1 . . . . 79 GLY CA . 10097 1 948 . 1 1 79 79 GLY N N 15 101.568 0.300 . 1 . . . . 79 GLY N . 10097 1 949 . 1 1 80 80 ASP H H 1 7.285 0.030 . 1 . . . . 80 ASP H . 10097 1 950 . 1 1 80 80 ASP HA H 1 4.982 0.030 . 1 . . . . 80 ASP HA . 10097 1 951 . 1 1 80 80 ASP HB2 H 1 3.876 0.030 . 2 . . . . 80 ASP HB2 . 10097 1 952 . 1 1 80 80 ASP HB3 H 1 3.101 0.030 . 2 . . . . 80 ASP HB3 . 10097 1 953 . 1 1 80 80 ASP C C 13 175.520 0.300 . 1 . . . . 80 ASP C . 10097 1 954 . 1 1 80 80 ASP CA C 13 51.411 0.300 . 1 . . . . 80 ASP CA . 10097 1 955 . 1 1 80 80 ASP CB C 13 42.536 0.300 . 1 . . . . 80 ASP CB . 10097 1 956 . 1 1 80 80 ASP N N 15 119.357 0.300 . 1 . . . . 80 ASP N . 10097 1 957 . 1 1 81 81 TYR H H 1 8.996 0.030 . 1 . . . . 81 TYR H . 10097 1 958 . 1 1 81 81 TYR HA H 1 3.834 0.030 . 1 . . . . 81 TYR HA . 10097 1 959 . 1 1 81 81 TYR HB2 H 1 2.894 0.030 . 2 . . . . 81 TYR HB2 . 10097 1 960 . 1 1 81 81 TYR HB3 H 1 2.951 0.030 . 2 . . . . 81 TYR HB3 . 10097 1 961 . 1 1 81 81 TYR HD1 H 1 6.852 0.030 . 1 . . . . 81 TYR HD1 . 10097 1 962 . 1 1 81 81 TYR HD2 H 1 6.852 0.030 . 1 . . . . 81 TYR HD2 . 10097 1 963 . 1 1 81 81 TYR HE1 H 1 6.797 0.030 . 1 . . . . 81 TYR HE1 . 10097 1 964 . 1 1 81 81 TYR HE2 H 1 6.797 0.030 . 1 . . . . 81 TYR HE2 . 10097 1 965 . 1 1 81 81 TYR C C 13 175.912 0.300 . 1 . . . . 81 TYR C . 10097 1 966 . 1 1 81 81 TYR CA C 13 63.173 0.300 . 1 . . . . 81 TYR CA . 10097 1 967 . 1 1 81 81 TYR CB C 13 39.406 0.300 . 1 . . . . 81 TYR CB . 10097 1 968 . 1 1 81 81 TYR CD1 C 13 133.144 0.300 . 3 . . . . 81 TYR CD1 . 10097 1 969 . 1 1 81 81 TYR CD2 C 13 133.088 0.300 . 3 . . . . 81 TYR CD2 . 10097 1 970 . 1 1 81 81 TYR CE1 C 13 118.675 0.300 . 3 . . . . 81 TYR CE1 . 10097 1 971 . 1 1 81 81 TYR CE2 C 13 118.602 0.300 . 3 . . . . 81 TYR CE2 . 10097 1 972 . 1 1 81 81 TYR N N 15 117.937 0.300 . 1 . . . . 81 TYR N . 10097 1 973 . 1 1 82 82 GLU H H 1 8.100 0.030 . 1 . . . . 82 GLU H . 10097 1 974 . 1 1 82 82 GLU HA H 1 3.672 0.030 . 1 . . . . 82 GLU HA . 10097 1 975 . 1 1 82 82 GLU HB2 H 1 2.062 0.030 . 2 . . . . 82 GLU HB2 . 10097 1 976 . 1 1 82 82 GLU HB3 H 1 2.163 0.030 . 2 . . . . 82 GLU HB3 . 10097 1 977 . 1 1 82 82 GLU HG2 H 1 2.331 0.030 . 2 . . . . 82 GLU HG2 . 10097 1 978 . 1 1 82 82 GLU HG3 H 1 2.454 0.030 . 2 . . . . 82 GLU HG3 . 10097 1 979 . 1 1 82 82 GLU C C 13 179.838 0.300 . 1 . . . . 82 GLU C . 10097 1 980 . 1 1 82 82 GLU CA C 13 59.956 0.300 . 1 . . . . 82 GLU CA . 10097 1 981 . 1 1 82 82 GLU CB C 13 29.188 0.300 . 1 . . . . 82 GLU CB . 10097 1 982 . 1 1 82 82 GLU CG C 13 36.994 0.300 . 1 . . . . 82 GLU CG . 10097 1 983 . 1 1 82 82 GLU N N 15 116.444 0.300 . 1 . . . . 82 GLU N . 10097 1 984 . 1 1 83 83 LEU H H 1 7.948 0.030 . 1 . . . . 83 LEU H . 10097 1 985 . 1 1 83 83 LEU HA H 1 4.042 0.030 . 1 . . . . 83 LEU HA . 10097 1 986 . 1 1 83 83 LEU HB2 H 1 1.743 0.030 . 2 . . . . 83 LEU HB2 . 10097 1 987 . 1 1 83 83 LEU HB3 H 1 1.843 0.030 . 2 . . . . 83 LEU HB3 . 10097 1 988 . 1 1 83 83 LEU HG H 1 2.065 0.030 . 1 . . . . 83 LEU HG . 10097 1 989 . 1 1 83 83 LEU HD11 H 1 1.019 0.030 . 1 . . . . 83 LEU HD1 . 10097 1 990 . 1 1 83 83 LEU HD12 H 1 1.019 0.030 . 1 . . . . 83 LEU HD1 . 10097 1 991 . 1 1 83 83 LEU HD13 H 1 1.019 0.030 . 1 . . . . 83 LEU HD1 . 10097 1 992 . 1 1 83 83 LEU HD21 H 1 1.209 0.030 . 1 . . . . 83 LEU HD2 . 10097 1 993 . 1 1 83 83 LEU HD22 H 1 1.209 0.030 . 1 . . . . 83 LEU HD2 . 10097 1 994 . 1 1 83 83 LEU HD23 H 1 1.209 0.030 . 1 . . . . 83 LEU HD2 . 10097 1 995 . 1 1 83 83 LEU C C 13 178.575 0.300 . 1 . . . . 83 LEU C . 10097 1 996 . 1 1 83 83 LEU CA C 13 57.433 0.300 . 1 . . . . 83 LEU CA . 10097 1 997 . 1 1 83 83 LEU CB C 13 42.697 0.300 . 1 . . . . 83 LEU CB . 10097 1 998 . 1 1 83 83 LEU CG C 13 27.108 0.300 . 1 . . . . 83 LEU CG . 10097 1 999 . 1 1 83 83 LEU CD1 C 13 23.048 0.300 . 2 . . . . 83 LEU CD1 . 10097 1 1000 . 1 1 83 83 LEU CD2 C 13 26.093 0.300 . 2 . . . . 83 LEU CD2 . 10097 1 1001 . 1 1 83 83 LEU N N 15 119.081 0.300 . 1 . . . . 83 LEU N . 10097 1 1002 . 1 1 84 84 PHE H H 1 8.254 0.030 . 1 . . . . 84 PHE H . 10097 1 1003 . 1 1 84 84 PHE HA H 1 2.859 0.030 . 1 . . . . 84 PHE HA . 10097 1 1004 . 1 1 84 84 PHE HB2 H 1 2.741 0.030 . 2 . . . . 84 PHE HB2 . 10097 1 1005 . 1 1 84 84 PHE HB3 H 1 3.207 0.030 . 2 . . . . 84 PHE HB3 . 10097 1 1006 . 1 1 84 84 PHE HD1 H 1 6.872 0.030 . 1 . . . . 84 PHE HD1 . 10097 1 1007 . 1 1 84 84 PHE HD2 H 1 6.872 0.030 . 1 . . . . 84 PHE HD2 . 10097 1 1008 . 1 1 84 84 PHE HE1 H 1 7.085 0.030 . 1 . . . . 84 PHE HE1 . 10097 1 1009 . 1 1 84 84 PHE HE2 H 1 7.085 0.030 . 1 . . . . 84 PHE HE2 . 10097 1 1010 . 1 1 84 84 PHE HZ H 1 7.066 0.030 . 1 . . . . 84 PHE HZ . 10097 1 1011 . 1 1 84 84 PHE C C 13 175.911 0.300 . 1 . . . . 84 PHE C . 10097 1 1012 . 1 1 84 84 PHE CA C 13 60.976 0.300 . 1 . . . . 84 PHE CA . 10097 1 1013 . 1 1 84 84 PHE CB C 13 38.615 0.300 . 1 . . . . 84 PHE CB . 10097 1 1014 . 1 1 84 84 PHE CD1 C 13 132.026 0.300 . 1 . . . . 84 PHE CD1 . 10097 1 1015 . 1 1 84 84 PHE CD2 C 13 132.026 0.300 . 1 . . . . 84 PHE CD2 . 10097 1 1016 . 1 1 84 84 PHE CE1 C 13 130.691 0.300 . 1 . . . . 84 PHE CE1 . 10097 1 1017 . 1 1 84 84 PHE CE2 C 13 130.691 0.300 . 1 . . . . 84 PHE CE2 . 10097 1 1018 . 1 1 84 84 PHE CZ C 13 129.391 0.300 . 1 . . . . 84 PHE CZ . 10097 1 1019 . 1 1 84 84 PHE N N 15 122.783 0.300 . 1 . . . . 84 PHE N . 10097 1 1020 . 1 1 85 85 VAL H H 1 8.369 0.030 . 1 . . . . 85 VAL H . 10097 1 1021 . 1 1 85 85 VAL HA H 1 3.158 0.030 . 1 . . . . 85 VAL HA . 10097 1 1022 . 1 1 85 85 VAL HB H 1 1.769 0.030 . 1 . . . . 85 VAL HB . 10097 1 1023 . 1 1 85 85 VAL HG11 H 1 0.549 0.030 . 1 . . . . 85 VAL HG1 . 10097 1 1024 . 1 1 85 85 VAL HG12 H 1 0.549 0.030 . 1 . . . . 85 VAL HG1 . 10097 1 1025 . 1 1 85 85 VAL HG13 H 1 0.549 0.030 . 1 . . . . 85 VAL HG1 . 10097 1 1026 . 1 1 85 85 VAL HG21 H 1 0.704 0.030 . 1 . . . . 85 VAL HG2 . 10097 1 1027 . 1 1 85 85 VAL HG22 H 1 0.704 0.030 . 1 . . . . 85 VAL HG2 . 10097 1 1028 . 1 1 85 85 VAL HG23 H 1 0.704 0.030 . 1 . . . . 85 VAL HG2 . 10097 1 1029 . 1 1 85 85 VAL C C 13 178.598 0.300 . 1 . . . . 85 VAL C . 10097 1 1030 . 1 1 85 85 VAL CA C 13 66.578 0.300 . 1 . . . . 85 VAL CA . 10097 1 1031 . 1 1 85 85 VAL CB C 13 31.165 0.300 . 1 . . . . 85 VAL CB . 10097 1 1032 . 1 1 85 85 VAL CG1 C 13 22.211 0.300 . 2 . . . . 85 VAL CG1 . 10097 1 1033 . 1 1 85 85 VAL CG2 C 13 21.670 0.300 . 2 . . . . 85 VAL CG2 . 10097 1 1034 . 1 1 85 85 VAL N N 15 117.485 0.300 . 1 . . . . 85 VAL N . 10097 1 1035 . 1 1 86 86 GLU H H 1 7.242 0.030 . 1 . . . . 86 GLU H . 10097 1 1036 . 1 1 86 86 GLU HA H 1 3.935 0.030 . 1 . . . . 86 GLU HA . 10097 1 1037 . 1 1 86 86 GLU HB2 H 1 1.940 0.030 . 1 . . . . 86 GLU HB2 . 10097 1 1038 . 1 1 86 86 GLU HB3 H 1 1.940 0.030 . 1 . . . . 86 GLU HB3 . 10097 1 1039 . 1 1 86 86 GLU HG2 H 1 2.014 0.030 . 2 . . . . 86 GLU HG2 . 10097 1 1040 . 1 1 86 86 GLU HG3 H 1 2.263 0.030 . 2 . . . . 86 GLU HG3 . 10097 1 1041 . 1 1 86 86 GLU C C 13 177.392 0.300 . 1 . . . . 86 GLU C . 10097 1 1042 . 1 1 86 86 GLU CA C 13 59.415 0.300 . 1 . . . . 86 GLU CA . 10097 1 1043 . 1 1 86 86 GLU CB C 13 29.572 0.300 . 1 . . . . 86 GLU CB . 10097 1 1044 . 1 1 86 86 GLU CG C 13 36.449 0.300 . 1 . . . . 86 GLU CG . 10097 1 1045 . 1 1 86 86 GLU N N 15 120.327 0.300 . 1 . . . . 86 GLU N . 10097 1 1046 . 1 1 87 87 ALA H H 1 7.171 0.030 . 1 . . . . 87 ALA H . 10097 1 1047 . 1 1 87 87 ALA HA H 1 3.936 0.030 . 1 . . . . 87 ALA HA . 10097 1 1048 . 1 1 87 87 ALA HB1 H 1 0.838 0.030 . 1 . . . . 87 ALA HB . 10097 1 1049 . 1 1 87 87 ALA HB2 H 1 0.838 0.030 . 1 . . . . 87 ALA HB . 10097 1 1050 . 1 1 87 87 ALA HB3 H 1 0.838 0.030 . 1 . . . . 87 ALA HB . 10097 1 1051 . 1 1 87 87 ALA C C 13 180.259 0.300 . 1 . . . . 87 ALA C . 10097 1 1052 . 1 1 87 87 ALA CA C 13 54.193 0.300 . 1 . . . . 87 ALA CA . 10097 1 1053 . 1 1 87 87 ALA CB C 13 18.260 0.300 . 1 . . . . 87 ALA CB . 10097 1 1054 . 1 1 87 87 ALA N N 15 121.486 0.300 . 1 . . . . 87 ALA N . 10097 1 1055 . 1 1 88 88 VAL H H 1 7.835 0.030 . 1 . . . . 88 VAL H . 10097 1 1056 . 1 1 88 88 VAL HA H 1 3.338 0.030 . 1 . . . . 88 VAL HA . 10097 1 1057 . 1 1 88 88 VAL HB H 1 1.984 0.030 . 1 . . . . 88 VAL HB . 10097 1 1058 . 1 1 88 88 VAL HG11 H 1 0.395 0.030 . 1 . . . . 88 VAL HG1 . 10097 1 1059 . 1 1 88 88 VAL HG12 H 1 0.395 0.030 . 1 . . . . 88 VAL HG1 . 10097 1 1060 . 1 1 88 88 VAL HG13 H 1 0.395 0.030 . 1 . . . . 88 VAL HG1 . 10097 1 1061 . 1 1 88 88 VAL HG21 H 1 0.804 0.030 . 1 . . . . 88 VAL HG2 . 10097 1 1062 . 1 1 88 88 VAL HG22 H 1 0.804 0.030 . 1 . . . . 88 VAL HG2 . 10097 1 1063 . 1 1 88 88 VAL HG23 H 1 0.804 0.030 . 1 . . . . 88 VAL HG2 . 10097 1 1064 . 1 1 88 88 VAL C C 13 180.460 0.300 . 1 . . . . 88 VAL C . 10097 1 1065 . 1 1 88 88 VAL CA C 13 66.523 0.300 . 1 . . . . 88 VAL CA . 10097 1 1066 . 1 1 88 88 VAL CB C 13 31.255 0.300 . 1 . . . . 88 VAL CB . 10097 1 1067 . 1 1 88 88 VAL CG1 C 13 24.222 0.300 . 2 . . . . 88 VAL CG1 . 10097 1 1068 . 1 1 88 88 VAL CG2 C 13 21.048 0.300 . 2 . . . . 88 VAL CG2 . 10097 1 1069 . 1 1 88 88 VAL N N 15 118.053 0.300 . 1 . . . . 88 VAL N . 10097 1 1070 . 1 1 89 89 GLU H H 1 8.227 0.030 . 1 . . . . 89 GLU H . 10097 1 1071 . 1 1 89 89 GLU HA H 1 3.910 0.030 . 1 . . . . 89 GLU HA . 10097 1 1072 . 1 1 89 89 GLU HB2 H 1 2.020 0.030 . 2 . . . . 89 GLU HB2 . 10097 1 1073 . 1 1 89 89 GLU HB3 H 1 2.108 0.030 . 2 . . . . 89 GLU HB3 . 10097 1 1074 . 1 1 89 89 GLU HG2 H 1 2.365 0.030 . 2 . . . . 89 GLU HG2 . 10097 1 1075 . 1 1 89 89 GLU HG3 H 1 2.211 0.030 . 2 . . . . 89 GLU HG3 . 10097 1 1076 . 1 1 89 89 GLU C C 13 178.681 0.300 . 1 . . . . 89 GLU C . 10097 1 1077 . 1 1 89 89 GLU CA C 13 59.427 0.300 . 1 . . . . 89 GLU CA . 10097 1 1078 . 1 1 89 89 GLU CB C 13 29.517 0.300 . 1 . . . . 89 GLU CB . 10097 1 1079 . 1 1 89 89 GLU CG C 13 36.370 0.300 . 1 . . . . 89 GLU CG . 10097 1 1080 . 1 1 89 89 GLU N N 15 120.984 0.300 . 1 . . . . 89 GLU N . 10097 1 1081 . 1 1 90 90 GLN H H 1 8.096 0.030 . 1 . . . . 90 GLN H . 10097 1 1082 . 1 1 90 90 GLN HA H 1 4.188 0.030 . 1 . . . . 90 GLN HA . 10097 1 1083 . 1 1 90 90 GLN HB2 H 1 1.971 0.030 . 2 . . . . 90 GLN HB2 . 10097 1 1084 . 1 1 90 90 GLN HB3 H 1 2.233 0.030 . 2 . . . . 90 GLN HB3 . 10097 1 1085 . 1 1 90 90 GLN HG2 H 1 2.531 0.030 . 2 . . . . 90 GLN HG2 . 10097 1 1086 . 1 1 90 90 GLN HG3 H 1 2.442 0.030 . 2 . . . . 90 GLN HG3 . 10097 1 1087 . 1 1 90 90 GLN HE21 H 1 7.507 0.030 . 2 . . . . 90 GLN HE21 . 10097 1 1088 . 1 1 90 90 GLN HE22 H 1 6.769 0.030 . 2 . . . . 90 GLN HE22 . 10097 1 1089 . 1 1 90 90 GLN C C 13 175.124 0.300 . 1 . . . . 90 GLN C . 10097 1 1090 . 1 1 90 90 GLN CA C 13 55.614 0.300 . 1 . . . . 90 GLN CA . 10097 1 1091 . 1 1 90 90 GLN CB C 13 28.821 0.300 . 1 . . . . 90 GLN CB . 10097 1 1092 . 1 1 90 90 GLN CG C 13 34.065 0.300 . 1 . . . . 90 GLN CG . 10097 1 1093 . 1 1 90 90 GLN N N 15 115.426 0.300 . 1 . . . . 90 GLN N . 10097 1 1094 . 1 1 90 90 GLN NE2 N 15 112.189 0.300 . 1 . . . . 90 GLN NE2 . 10097 1 1095 . 1 1 91 91 ASP H H 1 7.903 0.030 . 1 . . . . 91 ASP H . 10097 1 1096 . 1 1 91 91 ASP HA H 1 4.454 0.030 . 1 . . . . 91 ASP HA . 10097 1 1097 . 1 1 91 91 ASP HB2 H 1 3.366 0.030 . 2 . . . . 91 ASP HB2 . 10097 1 1098 . 1 1 91 91 ASP HB3 H 1 2.395 0.030 . 2 . . . . 91 ASP HB3 . 10097 1 1099 . 1 1 91 91 ASP C C 13 176.037 0.300 . 1 . . . . 91 ASP C . 10097 1 1100 . 1 1 91 91 ASP CA C 13 55.038 0.300 . 1 . . . . 91 ASP CA . 10097 1 1101 . 1 1 91 91 ASP CB C 13 39.935 0.300 . 1 . . . . 91 ASP CB . 10097 1 1102 . 1 1 91 91 ASP N N 15 119.205 0.300 . 1 . . . . 91 ASP N . 10097 1 1103 . 1 1 92 92 THR H H 1 8.834 0.030 . 1 . . . . 92 THR H . 10097 1 1104 . 1 1 92 92 THR HA H 1 4.850 0.030 . 1 . . . . 92 THR HA . 10097 1 1105 . 1 1 92 92 THR HB H 1 4.665 0.030 . 1 . . . . 92 THR HB . 10097 1 1106 . 1 1 92 92 THR HG21 H 1 1.046 0.030 . 1 . . . . 92 THR HG2 . 10097 1 1107 . 1 1 92 92 THR HG22 H 1 1.046 0.030 . 1 . . . . 92 THR HG2 . 10097 1 1108 . 1 1 92 92 THR HG23 H 1 1.046 0.030 . 1 . . . . 92 THR HG2 . 10097 1 1109 . 1 1 92 92 THR C C 13 175.932 0.300 . 1 . . . . 92 THR C . 10097 1 1110 . 1 1 92 92 THR CA C 13 60.001 0.300 . 1 . . . . 92 THR CA . 10097 1 1111 . 1 1 92 92 THR CB C 13 67.908 0.300 . 1 . . . . 92 THR CB . 10097 1 1112 . 1 1 92 92 THR CG2 C 13 21.378 0.300 . 1 . . . . 92 THR CG2 . 10097 1 1113 . 1 1 92 92 THR N N 15 109.391 0.300 . 1 . . . . 92 THR N . 10097 1 1114 . 1 1 93 93 LEU H H 1 7.926 0.030 . 1 . . . . 93 LEU H . 10097 1 1115 . 1 1 93 93 LEU HA H 1 3.883 0.030 . 1 . . . . 93 LEU HA . 10097 1 1116 . 1 1 93 93 LEU HB2 H 1 1.642 0.030 . 2 . . . . 93 LEU HB2 . 10097 1 1117 . 1 1 93 93 LEU HB3 H 1 1.252 0.030 . 2 . . . . 93 LEU HB3 . 10097 1 1118 . 1 1 93 93 LEU HG H 1 1.484 0.030 . 1 . . . . 93 LEU HG . 10097 1 1119 . 1 1 93 93 LEU HD11 H 1 0.607 0.030 . 1 . . . . 93 LEU HD1 . 10097 1 1120 . 1 1 93 93 LEU HD12 H 1 0.607 0.030 . 1 . . . . 93 LEU HD1 . 10097 1 1121 . 1 1 93 93 LEU HD13 H 1 0.607 0.030 . 1 . . . . 93 LEU HD1 . 10097 1 1122 . 1 1 93 93 LEU HD21 H 1 0.644 0.030 . 1 . . . . 93 LEU HD2 . 10097 1 1123 . 1 1 93 93 LEU HD22 H 1 0.644 0.030 . 1 . . . . 93 LEU HD2 . 10097 1 1124 . 1 1 93 93 LEU HD23 H 1 0.644 0.030 . 1 . . . . 93 LEU HD2 . 10097 1 1125 . 1 1 93 93 LEU C C 13 178.000 0.300 . 1 . . . . 93 LEU C . 10097 1 1126 . 1 1 93 93 LEU CA C 13 58.524 0.300 . 1 . . . . 93 LEU CA . 10097 1 1127 . 1 1 93 93 LEU CB C 13 42.320 0.300 . 1 . . . . 93 LEU CB . 10097 1 1128 . 1 1 93 93 LEU CG C 13 26.619 0.300 . 1 . . . . 93 LEU CG . 10097 1 1129 . 1 1 93 93 LEU CD1 C 13 23.901 0.300 . 2 . . . . 93 LEU CD1 . 10097 1 1130 . 1 1 93 93 LEU CD2 C 13 25.011 0.300 . 2 . . . . 93 LEU CD2 . 10097 1 1131 . 1 1 93 93 LEU N N 15 122.951 0.300 . 1 . . . . 93 LEU N . 10097 1 1132 . 1 1 94 94 GLN H H 1 8.606 0.030 . 1 . . . . 94 GLN H . 10097 1 1133 . 1 1 94 94 GLN HA H 1 3.774 0.030 . 1 . . . . 94 GLN HA . 10097 1 1134 . 1 1 94 94 GLN HB2 H 1 2.042 0.030 . 2 . . . . 94 GLN HB2 . 10097 1 1135 . 1 1 94 94 GLN HB3 H 1 1.989 0.030 . 2 . . . . 94 GLN HB3 . 10097 1 1136 . 1 1 94 94 GLN HG2 H 1 2.376 0.030 . 1 . . . . 94 GLN HG2 . 10097 1 1137 . 1 1 94 94 GLN HG3 H 1 2.376 0.030 . 1 . . . . 94 GLN HG3 . 10097 1 1138 . 1 1 94 94 GLN HE21 H 1 6.657 0.030 . 2 . . . . 94 GLN HE21 . 10097 1 1139 . 1 1 94 94 GLN HE22 H 1 7.526 0.030 . 2 . . . . 94 GLN HE22 . 10097 1 1140 . 1 1 94 94 GLN C C 13 173.657 0.300 . 1 . . . . 94 GLN C . 10097 1 1141 . 1 1 94 94 GLN CA C 13 60.430 0.300 . 1 . . . . 94 GLN CA . 10097 1 1142 . 1 1 94 94 GLN CB C 13 27.689 0.300 . 1 . . . . 94 GLN CB . 10097 1 1143 . 1 1 94 94 GLN CG C 13 34.341 0.300 . 1 . . . . 94 GLN CG . 10097 1 1144 . 1 1 94 94 GLN N N 15 115.945 0.300 . 1 . . . . 94 GLN N . 10097 1 1145 . 1 1 94 94 GLN NE2 N 15 110.846 0.300 . 1 . . . . 94 GLN NE2 . 10097 1 1146 . 1 1 95 95 GLU H H 1 8.307 0.030 . 1 . . . . 95 GLU H . 10097 1 1147 . 1 1 95 95 GLU HA H 1 4.141 0.030 . 1 . . . . 95 GLU HA . 10097 1 1148 . 1 1 95 95 GLU HB2 H 1 2.031 0.030 . 2 . . . . 95 GLU HB2 . 10097 1 1149 . 1 1 95 95 GLU HB3 H 1 2.168 0.030 . 2 . . . . 95 GLU HB3 . 10097 1 1150 . 1 1 95 95 GLU HG2 H 1 2.217 0.030 . 2 . . . . 95 GLU HG2 . 10097 1 1151 . 1 1 95 95 GLU HG3 H 1 2.400 0.030 . 2 . . . . 95 GLU HG3 . 10097 1 1152 . 1 1 95 95 GLU C C 13 180.102 0.300 . 1 . . . . 95 GLU C . 10097 1 1153 . 1 1 95 95 GLU CA C 13 59.535 0.300 . 1 . . . . 95 GLU CA . 10097 1 1154 . 1 1 95 95 GLU CB C 13 29.072 0.300 . 1 . . . . 95 GLU CB . 10097 1 1155 . 1 1 95 95 GLU CG C 13 37.002 0.300 . 1 . . . . 95 GLU CG . 10097 1 1156 . 1 1 95 95 GLU N N 15 119.233 0.300 . 1 . . . . 95 GLU N . 10097 1 1157 . 1 1 96 96 PHE H H 1 8.614 0.030 . 1 . . . . 96 PHE H . 10097 1 1158 . 1 1 96 96 PHE HA H 1 4.181 0.030 . 1 . . . . 96 PHE HA . 10097 1 1159 . 1 1 96 96 PHE HB2 H 1 3.029 0.030 . 2 . . . . 96 PHE HB2 . 10097 1 1160 . 1 1 96 96 PHE HB3 H 1 3.483 0.030 . 2 . . . . 96 PHE HB3 . 10097 1 1161 . 1 1 96 96 PHE HD1 H 1 7.130 0.030 . 1 . . . . 96 PHE HD1 . 10097 1 1162 . 1 1 96 96 PHE HD2 H 1 7.130 0.030 . 1 . . . . 96 PHE HD2 . 10097 1 1163 . 1 1 96 96 PHE HE1 H 1 6.719 0.030 . 1 . . . . 96 PHE HE1 . 10097 1 1164 . 1 1 96 96 PHE HE2 H 1 6.719 0.030 . 1 . . . . 96 PHE HE2 . 10097 1 1165 . 1 1 96 96 PHE HZ H 1 7.126 0.030 . 1 . . . . 96 PHE HZ . 10097 1 1166 . 1 1 96 96 PHE C C 13 176.949 0.300 . 1 . . . . 96 PHE C . 10097 1 1167 . 1 1 96 96 PHE CA C 13 61.443 0.300 . 1 . . . . 96 PHE CA . 10097 1 1168 . 1 1 96 96 PHE CB C 13 39.978 0.300 . 1 . . . . 96 PHE CB . 10097 1 1169 . 1 1 96 96 PHE CD1 C 13 131.875 0.300 . 1 . . . . 96 PHE CD1 . 10097 1 1170 . 1 1 96 96 PHE CD2 C 13 131.875 0.300 . 1 . . . . 96 PHE CD2 . 10097 1 1171 . 1 1 96 96 PHE CE1 C 13 127.223 0.300 . 1 . . . . 96 PHE CE1 . 10097 1 1172 . 1 1 96 96 PHE CE2 C 13 127.223 0.300 . 1 . . . . 96 PHE CE2 . 10097 1 1173 . 1 1 96 96 PHE CZ C 13 130.971 0.300 . 1 . . . . 96 PHE CZ . 10097 1 1174 . 1 1 96 96 PHE N N 15 123.518 0.300 . 1 . . . . 96 PHE N . 10097 1 1175 . 1 1 97 97 LEU H H 1 8.132 0.030 . 1 . . . . 97 LEU H . 10097 1 1176 . 1 1 97 97 LEU HA H 1 4.211 0.030 . 1 . . . . 97 LEU HA . 10097 1 1177 . 1 1 97 97 LEU HB2 H 1 1.744 0.030 . 2 . . . . 97 LEU HB2 . 10097 1 1178 . 1 1 97 97 LEU HB3 H 1 1.782 0.030 . 2 . . . . 97 LEU HB3 . 10097 1 1179 . 1 1 97 97 LEU HG H 1 2.263 0.030 . 1 . . . . 97 LEU HG . 10097 1 1180 . 1 1 97 97 LEU HD11 H 1 1.020 0.030 . 1 . . . . 97 LEU HD1 . 10097 1 1181 . 1 1 97 97 LEU HD12 H 1 1.020 0.030 . 1 . . . . 97 LEU HD1 . 10097 1 1182 . 1 1 97 97 LEU HD13 H 1 1.020 0.030 . 1 . . . . 97 LEU HD1 . 10097 1 1183 . 1 1 97 97 LEU HD21 H 1 0.928 0.030 . 1 . . . . 97 LEU HD2 . 10097 1 1184 . 1 1 97 97 LEU HD22 H 1 0.928 0.030 . 1 . . . . 97 LEU HD2 . 10097 1 1185 . 1 1 97 97 LEU HD23 H 1 0.928 0.030 . 1 . . . . 97 LEU HD2 . 10097 1 1186 . 1 1 97 97 LEU C C 13 174.271 0.300 . 1 . . . . 97 LEU C . 10097 1 1187 . 1 1 97 97 LEU CA C 13 54.810 0.300 . 1 . . . . 97 LEU CA . 10097 1 1188 . 1 1 97 97 LEU CB C 13 42.184 0.300 . 1 . . . . 97 LEU CB . 10097 1 1189 . 1 1 97 97 LEU CG C 13 26.827 0.300 . 1 . . . . 97 LEU CG . 10097 1 1190 . 1 1 97 97 LEU CD1 C 13 22.990 0.300 . 2 . . . . 97 LEU CD1 . 10097 1 1191 . 1 1 97 97 LEU CD2 C 13 27.774 0.300 . 2 . . . . 97 LEU CD2 . 10097 1 1192 . 1 1 97 97 LEU N N 15 114.390 0.300 . 1 . . . . 97 LEU N . 10097 1 1193 . 1 1 98 98 LYS H H 1 7.740 0.030 . 1 . . . . 98 LYS H . 10097 1 1194 . 1 1 98 98 LYS HA H 1 3.938 0.030 . 1 . . . . 98 LYS HA . 10097 1 1195 . 1 1 98 98 LYS HB2 H 1 1.837 0.030 . 2 . . . . 98 LYS HB2 . 10097 1 1196 . 1 1 98 98 LYS HB3 H 1 1.821 0.030 . 2 . . . . 98 LYS HB3 . 10097 1 1197 . 1 1 98 98 LYS HG2 H 1 1.231 0.030 . 2 . . . . 98 LYS HG2 . 10097 1 1198 . 1 1 98 98 LYS HG3 H 1 1.072 0.030 . 2 . . . . 98 LYS HG3 . 10097 1 1199 . 1 1 98 98 LYS HD2 H 1 1.493 0.030 . 2 . . . . 98 LYS HD2 . 10097 1 1200 . 1 1 98 98 LYS HD3 H 1 1.340 0.030 . 2 . . . . 98 LYS HD3 . 10097 1 1201 . 1 1 98 98 LYS HE2 H 1 2.703 0.030 . 2 . . . . 98 LYS HE2 . 10097 1 1202 . 1 1 98 98 LYS HE3 H 1 2.739 0.030 . 2 . . . . 98 LYS HE3 . 10097 1 1203 . 1 1 98 98 LYS C C 13 175.866 0.300 . 1 . . . . 98 LYS C . 10097 1 1204 . 1 1 98 98 LYS CA C 13 56.018 0.300 . 1 . . . . 98 LYS CA . 10097 1 1205 . 1 1 98 98 LYS CB C 13 28.578 0.300 . 1 . . . . 98 LYS CB . 10097 1 1206 . 1 1 98 98 LYS CG C 13 24.866 0.300 . 1 . . . . 98 LYS CG . 10097 1 1207 . 1 1 98 98 LYS CD C 13 28.231 0.300 . 1 . . . . 98 LYS CD . 10097 1 1208 . 1 1 98 98 LYS CE C 13 42.366 0.300 . 1 . . . . 98 LYS CE . 10097 1 1209 . 1 1 98 98 LYS N N 15 113.270 0.300 . 1 . . . . 98 LYS N . 10097 1 1210 . 1 1 99 99 LEU H H 1 7.997 0.030 . 1 . . . . 99 LEU H . 10097 1 1211 . 1 1 99 99 LEU HA H 1 4.333 0.030 . 1 . . . . 99 LEU HA . 10097 1 1212 . 1 1 99 99 LEU HB2 H 1 1.609 0.030 . 1 . . . . 99 LEU HB2 . 10097 1 1213 . 1 1 99 99 LEU HB3 H 1 1.609 0.030 . 1 . . . . 99 LEU HB3 . 10097 1 1214 . 1 1 99 99 LEU HG H 1 1.605 0.030 . 1 . . . . 99 LEU HG . 10097 1 1215 . 1 1 99 99 LEU HD11 H 1 0.875 0.030 . 1 . . . . 99 LEU HD1 . 10097 1 1216 . 1 1 99 99 LEU HD12 H 1 0.875 0.030 . 1 . . . . 99 LEU HD1 . 10097 1 1217 . 1 1 99 99 LEU HD13 H 1 0.875 0.030 . 1 . . . . 99 LEU HD1 . 10097 1 1218 . 1 1 99 99 LEU HD21 H 1 0.962 0.030 . 1 . . . . 99 LEU HD2 . 10097 1 1219 . 1 1 99 99 LEU HD22 H 1 0.962 0.030 . 1 . . . . 99 LEU HD2 . 10097 1 1220 . 1 1 99 99 LEU HD23 H 1 0.962 0.030 . 1 . . . . 99 LEU HD2 . 10097 1 1221 . 1 1 99 99 LEU C C 13 176.519 0.300 . 1 . . . . 99 LEU C . 10097 1 1222 . 1 1 99 99 LEU CA C 13 54.673 0.300 . 1 . . . . 99 LEU CA . 10097 1 1223 . 1 1 99 99 LEU CB C 13 42.859 0.300 . 1 . . . . 99 LEU CB . 10097 1 1224 . 1 1 99 99 LEU CG C 13 26.312 0.300 . 1 . . . . 99 LEU CG . 10097 1 1225 . 1 1 99 99 LEU CD1 C 13 22.471 0.300 . 2 . . . . 99 LEU CD1 . 10097 1 1226 . 1 1 99 99 LEU CD2 C 13 26.139 0.300 . 2 . . . . 99 LEU CD2 . 10097 1 1227 . 1 1 99 99 LEU N N 15 116.680 0.300 . 1 . . . . 99 LEU N . 10097 1 1228 . 1 1 100 100 ALA H H 1 7.577 0.030 . 1 . . . . 100 ALA H . 10097 1 1229 . 1 1 100 100 ALA HA H 1 4.077 0.030 . 1 . . . . 100 ALA HA . 10097 1 1230 . 1 1 100 100 ALA HB1 H 1 1.238 0.030 . 1 . . . . 100 ALA HB . 10097 1 1231 . 1 1 100 100 ALA HB2 H 1 1.238 0.030 . 1 . . . . 100 ALA HB . 10097 1 1232 . 1 1 100 100 ALA HB3 H 1 1.238 0.030 . 1 . . . . 100 ALA HB . 10097 1 1233 . 1 1 100 100 ALA C C 13 181.950 0.300 . 1 . . . . 100 ALA C . 10097 1 1234 . 1 1 100 100 ALA CA C 13 53.428 0.300 . 1 . . . . 100 ALA CA . 10097 1 1235 . 1 1 100 100 ALA CB C 13 20.800 0.300 . 1 . . . . 100 ALA CB . 10097 1 1236 . 1 1 100 100 ALA N N 15 128.770 0.300 . 1 . . . . 100 ALA N . 10097 1 stop_ save_