data_6406 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6406 _Entry.Title ; Backbone and side chain chemical shift assignments of a TRAV14-3 mouse T cell receptor domain ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-11-30 _Entry.Accession_date 2004-11-30 _Entry.Last_release_date 2005-01-14 _Entry.Original_release_date 2005-01-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Jin-Shan Hu . . . 6406 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6406 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 760 6406 '13C chemical shifts' 489 6406 '15N chemical shifts' 120 6406 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 . . 2005-01-14 2004-11-30 original author . 6406 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6406 _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 ; Letter to the Editor: Backbone and side chain resonance assignments of a TRAV14-3 mouse T cell receptor domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 3 _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 271 _Citation.Page_last 272 _Citation.Year 2005 _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 Jin-Shan Hu . . . 6406 1 2 Daniel Plaksin . . . 6406 1 3 David Margulies . H. . 6406 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignments' 6406 1 TRAV14-3*02 6406 1 'TRAJ38*01 domain' 6406 1 'T cell receptor' 6406 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Va2.6 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Va2.6 _Assembly.Entry_ID 6406 _Assembly.ID 1 _Assembly.Name 'TCR Va2.6Ja38' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _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 monomer 6406 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 'Va2.6 monomer' 1 $Va2.6_monomer . . . native . . . . . 6406 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 23 23 SG . 1 . 1 CYS 90 90 SG . . . . . . . . . . 6406 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TCR Va2.6Ja38' system 6406 1 Va2.6 abbreviation 6406 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; A T cell receptor Va domain with specificity for the HIV envelope glycoprotein 120-derived peptide P18-I10 bound to the murine MHC class I molecule, H-2Dd. ; 6406 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Va2.6_monomer _Entity.Sf_category entity _Entity.Sf_framecode Va2.6_monomer _Entity.Entry_ID 6406 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TCR Va2.6 domain' _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 ; MQQVRQSPQSLTVWEGETAI LNCSYENSAFDYFPWYQQFP GEGPALLISILSVSNKKEDG RFTIFFNKREKKLSLHIADS QPGDSATYFCAASASFGDNS KLIWGLGTSLVVNP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1B88 . "V-Alpha 2.6 Mouse T Cell Receptor (Tcr) Domain" . . . . . 100.00 114 100.00 100.00 4.52e-78 . . . . 6406 1 2 no GB AAA57548 . "T cell receptor Va 2.6, partial [Mus musculus]" . . . . . 80.70 120 98.91 100.00 1.06e-60 . . . . 6406 1 3 no GB AAB16801 . "T cell receptor variable and J region, partial [Mus musculus]" . . . . . 99.12 193 100.00 100.00 1.93e-76 . . . . 6406 1 4 no GB AAI47847 . "Tcra protein [Mus musculus]" . . . . . 81.58 145 98.92 100.00 2.11e-60 . . . . 6406 1 5 no GB AAI47853 . "Tcra protein [Mus musculus]" . . . . . 81.58 145 98.92 100.00 2.11e-60 . . . . 6406 1 6 no GB AAL08199 . "TRAV14-3, partial [Mus musculus]" . . . . . 80.70 120 100.00 100.00 4.23e-61 . . . . 6406 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TCR Va2.6 domain' common 6406 1 Va2.6 abbreviation 6406 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6406 1 2 . GLN . 6406 1 3 . GLN . 6406 1 4 . VAL . 6406 1 5 . ARG . 6406 1 6 . GLN . 6406 1 7 . SER . 6406 1 8 . PRO . 6406 1 9 . GLN . 6406 1 10 . SER . 6406 1 11 . LEU . 6406 1 12 . THR . 6406 1 13 . VAL . 6406 1 14 . TRP . 6406 1 15 . GLU . 6406 1 16 . GLY . 6406 1 17 . GLU . 6406 1 18 . THR . 6406 1 19 . ALA . 6406 1 20 . ILE . 6406 1 21 . LEU . 6406 1 22 . ASN . 6406 1 23 . CYS . 6406 1 24 . SER . 6406 1 25 . TYR . 6406 1 26 . GLU . 6406 1 27 . ASN . 6406 1 28 . SER . 6406 1 29 . ALA . 6406 1 30 . PHE . 6406 1 31 . ASP . 6406 1 32 . TYR . 6406 1 33 . PHE . 6406 1 34 . PRO . 6406 1 35 . TRP . 6406 1 36 . TYR . 6406 1 37 . GLN . 6406 1 38 . GLN . 6406 1 39 . PHE . 6406 1 40 . PRO . 6406 1 41 . GLY . 6406 1 42 . GLU . 6406 1 43 . GLY . 6406 1 44 . PRO . 6406 1 45 . ALA . 6406 1 46 . LEU . 6406 1 47 . LEU . 6406 1 48 . ILE . 6406 1 49 . SER . 6406 1 50 . ILE . 6406 1 51 . LEU . 6406 1 52 . SER . 6406 1 53 . VAL . 6406 1 54 . SER . 6406 1 55 . ASN . 6406 1 56 . LYS . 6406 1 57 . LYS . 6406 1 58 . GLU . 6406 1 59 . ASP . 6406 1 60 . GLY . 6406 1 61 . ARG . 6406 1 62 . PHE . 6406 1 63 . THR . 6406 1 64 . ILE . 6406 1 65 . PHE . 6406 1 66 . PHE . 6406 1 67 . ASN . 6406 1 68 . LYS . 6406 1 69 . ARG . 6406 1 70 . GLU . 6406 1 71 . LYS . 6406 1 72 . LYS . 6406 1 73 . LEU . 6406 1 74 . SER . 6406 1 75 . LEU . 6406 1 76 . HIS . 6406 1 77 . ILE . 6406 1 78 . ALA . 6406 1 79 . ASP . 6406 1 80 . SER . 6406 1 81 . GLN . 6406 1 82 . PRO . 6406 1 83 . GLY . 6406 1 84 . ASP . 6406 1 85 . SER . 6406 1 86 . ALA . 6406 1 87 . THR . 6406 1 88 . TYR . 6406 1 89 . PHE . 6406 1 90 . CYS . 6406 1 91 . ALA . 6406 1 92 . ALA . 6406 1 93 . SER . 6406 1 94 . ALA . 6406 1 95 . SER . 6406 1 96 . PHE . 6406 1 97 . GLY . 6406 1 98 . ASP . 6406 1 99 . ASN . 6406 1 100 . SER . 6406 1 101 . LYS . 6406 1 102 . LEU . 6406 1 103 . ILE . 6406 1 104 . TRP . 6406 1 105 . GLY . 6406 1 106 . LEU . 6406 1 107 . GLY . 6406 1 108 . THR . 6406 1 109 . SER . 6406 1 110 . LEU . 6406 1 111 . VAL . 6406 1 112 . VAL . 6406 1 113 . ASN . 6406 1 114 . PRO . 6406 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6406 1 . GLN 2 2 6406 1 . GLN 3 3 6406 1 . VAL 4 4 6406 1 . ARG 5 5 6406 1 . GLN 6 6 6406 1 . SER 7 7 6406 1 . PRO 8 8 6406 1 . GLN 9 9 6406 1 . SER 10 10 6406 1 . LEU 11 11 6406 1 . THR 12 12 6406 1 . VAL 13 13 6406 1 . TRP 14 14 6406 1 . GLU 15 15 6406 1 . GLY 16 16 6406 1 . GLU 17 17 6406 1 . THR 18 18 6406 1 . ALA 19 19 6406 1 . ILE 20 20 6406 1 . LEU 21 21 6406 1 . ASN 22 22 6406 1 . CYS 23 23 6406 1 . SER 24 24 6406 1 . TYR 25 25 6406 1 . GLU 26 26 6406 1 . ASN 27 27 6406 1 . SER 28 28 6406 1 . ALA 29 29 6406 1 . PHE 30 30 6406 1 . ASP 31 31 6406 1 . TYR 32 32 6406 1 . PHE 33 33 6406 1 . PRO 34 34 6406 1 . TRP 35 35 6406 1 . TYR 36 36 6406 1 . GLN 37 37 6406 1 . GLN 38 38 6406 1 . PHE 39 39 6406 1 . PRO 40 40 6406 1 . GLY 41 41 6406 1 . GLU 42 42 6406 1 . GLY 43 43 6406 1 . PRO 44 44 6406 1 . ALA 45 45 6406 1 . LEU 46 46 6406 1 . LEU 47 47 6406 1 . ILE 48 48 6406 1 . SER 49 49 6406 1 . ILE 50 50 6406 1 . LEU 51 51 6406 1 . SER 52 52 6406 1 . VAL 53 53 6406 1 . SER 54 54 6406 1 . ASN 55 55 6406 1 . LYS 56 56 6406 1 . LYS 57 57 6406 1 . GLU 58 58 6406 1 . ASP 59 59 6406 1 . GLY 60 60 6406 1 . ARG 61 61 6406 1 . PHE 62 62 6406 1 . THR 63 63 6406 1 . ILE 64 64 6406 1 . PHE 65 65 6406 1 . PHE 66 66 6406 1 . ASN 67 67 6406 1 . LYS 68 68 6406 1 . ARG 69 69 6406 1 . GLU 70 70 6406 1 . LYS 71 71 6406 1 . LYS 72 72 6406 1 . LEU 73 73 6406 1 . SER 74 74 6406 1 . LEU 75 75 6406 1 . HIS 76 76 6406 1 . ILE 77 77 6406 1 . ALA 78 78 6406 1 . ASP 79 79 6406 1 . SER 80 80 6406 1 . GLN 81 81 6406 1 . PRO 82 82 6406 1 . GLY 83 83 6406 1 . ASP 84 84 6406 1 . SER 85 85 6406 1 . ALA 86 86 6406 1 . THR 87 87 6406 1 . TYR 88 88 6406 1 . PHE 89 89 6406 1 . CYS 90 90 6406 1 . ALA 91 91 6406 1 . ALA 92 92 6406 1 . SER 93 93 6406 1 . ALA 94 94 6406 1 . SER 95 95 6406 1 . PHE 96 96 6406 1 . GLY 97 97 6406 1 . ASP 98 98 6406 1 . ASN 99 99 6406 1 . SER 100 100 6406 1 . LYS 101 101 6406 1 . LEU 102 102 6406 1 . ILE 103 103 6406 1 . TRP 104 104 6406 1 . GLY 105 105 6406 1 . LEU 106 106 6406 1 . GLY 107 107 6406 1 . THR 108 108 6406 1 . SER 109 109 6406 1 . LEU 110 110 6406 1 . VAL 111 111 6406 1 . VAL 112 112 6406 1 . ASN 113 113 6406 1 . PRO 114 114 6406 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 6406 _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 $Va2.6_monomer . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6406 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 6406 _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 $Va2.6_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6406 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6406 _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 'TCR Va2.6 domain' '[U-95% 15N]' . . 1 $Va2.6_monomer . . 0.94 0.90 0.95 mM . . . . 6406 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6406 _Sample.ID 2 _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 'TCR Va2.6 domain' '[U-95% 13C; U-95% 15N]' . . 1 $Va2.6_monomer . . 0.91 . . mM . . . . 6406 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6406 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 pH 6406 1 temperature 300 1 K 6406 1 'ionic strength' 0.15 . M 6406 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6406 _Software.ID 1 _Software.Name NMRPIPE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6406 1 analysis 6406 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 6406 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6406 2 analysis 6406 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6406 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6406 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6406 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 600 . . . 6406 1 2 NMR_spectrometer_2 Bruker DMX . 750 . . . 6406 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6406 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 2 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 4 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 5 HNCOCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 6 'HNCG arom' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 7 'HN(CO)CG arom' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 8 HNCG . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 9 HN(CO)C . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 10 HNHA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 11 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 12 DIPSI-H(CCO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 13 DIPSI-C(CCO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 14 HAHB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 15 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 16 HCCH-COSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 17 '1H-13C HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 18 15N-HOHAHA-HSQC . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 19 15N-NOESY-HSQC . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 20 '13C-15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 21 '13C-13C NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6406 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCOCO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'HNCG arom' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'HN(CO)CG arom' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCG _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HN(CO)C _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name DIPSI-H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name DIPSI-C(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HAHB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HCCH-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name HCCH-COSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name 15N-HOHAHA-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_19 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name 15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_20 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '13C-15N 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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_21 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_21 _NMR_spec_expt.Entry_ID 6406 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name '13C-13C 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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6406 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 external indirect 1.0 external spherical parallel 1 $entry_citation . . 1 $entry_citation 6406 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 external spherical parallel 1 $entry_citation . . 1 $entry_citation 6406 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 external spherical parallel 1 $entry_citation . . 1 $entry_citation 6406 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_Va2.6_shifts_Jin_Hu_112304.doc _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Va2.6_shifts_Jin_Hu_112304.doc _Assigned_chem_shift_list.Entry_ID 6406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6406 1 . . 2 $sample_2 . 6406 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.99 0.03 . 1 . . . . . . . . 6406 1 2 . 1 1 1 1 MET HB2 H 1 2.10 0.03 . 1 . . . . . . . . 6406 1 3 . 1 1 1 1 MET HB3 H 1 2.10 0.03 . 1 . . . . . . . . 6406 1 4 . 1 1 1 1 MET HG2 H 1 2.57 0.03 . 1 . . . . . . . . 6406 1 5 . 1 1 1 1 MET HG3 H 1 2.57 0.03 . 1 . . . . . . . . 6406 1 6 . 1 1 1 1 MET HE1 H 1 2.11 0.03 . 1 . . . . . . . . 6406 1 7 . 1 1 1 1 MET HE2 H 1 2.11 0.03 . 1 . . . . . . . . 6406 1 8 . 1 1 1 1 MET HE3 H 1 2.11 0.03 . 1 . . . . . . . . 6406 1 9 . 1 1 1 1 MET CA C 13 55.30 0.50 . 1 . . . . . . . . 6406 1 10 . 1 1 1 1 MET CB C 13 34.20 0.50 . 1 . . . . . . . . 6406 1 11 . 1 1 1 1 MET CG C 13 31.30 0.50 . 1 . . . . . . . . 6406 1 12 . 1 1 1 1 MET CE C 13 16.93 0.50 . 1 . . . . . . . . 6406 1 13 . 1 1 2 2 GLN HA H 1 4.517 0.03 . 1 . . . . . . . . 6406 1 14 . 1 1 2 2 GLN HB2 H 1 2.052 0.03 . 2 . . . . . . . . 6406 1 15 . 1 1 2 2 GLN HB3 H 1 2.211 0.03 . 2 . . . . . . . . 6406 1 16 . 1 1 2 2 GLN HG2 H 1 2.521 0.03 . 1 . . . . . . . . 6406 1 17 . 1 1 2 2 GLN HG3 H 1 2.521 0.03 . 1 . . . . . . . . 6406 1 18 . 1 1 2 2 GLN HE21 H 1 7.831 0.03 . 1 . . . . . . . . 6406 1 19 . 1 1 2 2 GLN HE22 H 1 6.946 0.03 . 1 . . . . . . . . 6406 1 20 . 1 1 2 2 GLN C C 13 175.94 0.05 . 1 . . . . . . . . 6406 1 21 . 1 1 2 2 GLN CA C 13 55.80 0.05 . 1 . . . . . . . . 6406 1 22 . 1 1 2 2 GLN CB C 13 29.65 0.05 . 1 . . . . . . . . 6406 1 23 . 1 1 2 2 GLN CG C 13 33.96 0.05 . 1 . . . . . . . . 6406 1 24 . 1 1 2 2 GLN NE2 N 15 112.127 0.25 . 1 . . . . . . . . 6406 1 25 . 1 1 3 3 GLN H H 1 8.827 0.03 . 1 . . . . . . . . 6406 1 26 . 1 1 3 3 GLN HA H 1 4.243 0.03 . 1 . . . . . . . . 6406 1 27 . 1 1 3 3 GLN HB2 H 1 2.214 0.03 . 2 . . . . . . . . 6406 1 28 . 1 1 3 3 GLN HB3 H 1 2.482 0.03 . 2 . . . . . . . . 6406 1 29 . 1 1 3 3 GLN HG2 H 1 2.528 0.03 . 2 . . . . . . . . 6406 1 30 . 1 1 3 3 GLN HG3 H 1 2.637 0.03 . 2 . . . . . . . . 6406 1 31 . 1 1 3 3 GLN HE21 H 1 7.605 0.03 . 1 . . . . . . . . 6406 1 32 . 1 1 3 3 GLN HE22 H 1 6.982 0.03 . 1 . . . . . . . . 6406 1 33 . 1 1 3 3 GLN C C 13 175.66 0.50 . 1 . . . . . . . . 6406 1 34 . 1 1 3 3 GLN CA C 13 58.23 0.50 . 1 . . . . . . . . 6406 1 35 . 1 1 3 3 GLN CB C 13 31.20 0.50 . 1 . . . . . . . . 6406 1 36 . 1 1 3 3 GLN CG C 13 35.069 0.50 . 2 . . . . . . . . 6406 1 37 . 1 1 3 3 GLN N N 15 121.039 0.25 . 1 . . . . . . . . 6406 1 38 . 1 1 3 3 GLN NE2 N 15 111.714 0.25 . 1 . . . . . . . . 6406 1 39 . 1 1 4 4 VAL H H 1 7.745 0.03 . 1 . . . . . . . . 6406 1 40 . 1 1 4 4 VAL HA H 1 4.691 0.03 . 1 . . . . . . . . 6406 1 41 . 1 1 4 4 VAL HB H 1 1.635 0.03 . 1 . . . . . . . . 6406 1 42 . 1 1 4 4 VAL HG11 H 1 0.82 0.03 . 2 . . . . . . . . 6406 1 43 . 1 1 4 4 VAL HG12 H 1 0.82 0.03 . 2 . . . . . . . . 6406 1 44 . 1 1 4 4 VAL HG13 H 1 0.82 0.03 . 2 . . . . . . . . 6406 1 45 . 1 1 4 4 VAL HG21 H 1 0.34 0.03 . 2 . . . . . . . . 6406 1 46 . 1 1 4 4 VAL HG22 H 1 0.34 0.03 . 2 . . . . . . . . 6406 1 47 . 1 1 4 4 VAL HG23 H 1 0.34 0.03 . 2 . . . . . . . . 6406 1 48 . 1 1 4 4 VAL C C 13 175.09 0.50 . 1 . . . . . . . . 6406 1 49 . 1 1 4 4 VAL CA C 13 62.42 0.50 . 1 . . . . . . . . 6406 1 50 . 1 1 4 4 VAL CB C 13 34.82 0.50 . 1 . . . . . . . . 6406 1 51 . 1 1 4 4 VAL CG1 C 13 22.236 0.50 . 1 . . . . . . . . 6406 1 52 . 1 1 4 4 VAL CG2 C 13 22.236 0.50 . 1 . . . . . . . . 6406 1 53 . 1 1 4 4 VAL N N 15 118.126 0.25 . 1 . . . . . . . . 6406 1 54 . 1 1 5 5 ARG H H 1 9.293 0.03 . 1 . . . . . . . . 6406 1 55 . 1 1 5 5 ARG HA H 1 4.806 0.03 . 1 . . . . . . . . 6406 1 56 . 1 1 5 5 ARG HB2 H 1 1.800 0.03 . 1 . . . . . . . . 6406 1 57 . 1 1 5 5 ARG HB3 H 1 1.800 0.03 . 1 . . . . . . . . 6406 1 58 . 1 1 5 5 ARG HG2 H 1 1.526 0.03 . 1 . . . . . . . . 6406 1 59 . 1 1 5 5 ARG HG3 H 1 1.526 0.03 . 1 . . . . . . . . 6406 1 60 . 1 1 5 5 ARG HD2 H 1 3.26 0.03 . 2 . . . . . . . . 6406 1 61 . 1 1 5 5 ARG HD3 H 1 3.17 0.03 . 2 . . . . . . . . 6406 1 62 . 1 1 5 5 ARG C C 13 175.18 0.50 . 1 . . . . . . . . 6406 1 63 . 1 1 5 5 ARG CA C 13 55.35 0.50 . 1 . . . . . . . . 6406 1 64 . 1 1 5 5 ARG CB C 13 33.04 0.50 . 1 . . . . . . . . 6406 1 65 . 1 1 5 5 ARG CG C 13 27.617 0.50 . 1 . . . . . . . . 6406 1 66 . 1 1 5 5 ARG CD C 13 43.601 0.50 . 1 . . . . . . . . 6406 1 67 . 1 1 5 5 ARG N N 15 125.891 0.25 . 1 . . . . . . . . 6406 1 68 . 1 1 6 6 GLN H H 1 9.083 0.03 . 1 . . . . . . . . 6406 1 69 . 1 1 6 6 GLN HA H 1 5.274 0.03 . 1 . . . . . . . . 6406 1 70 . 1 1 6 6 GLN HB2 H 1 1.967 0.03 . 2 . . . . . . . . 6406 1 71 . 1 1 6 6 GLN HB3 H 1 2.387 0.03 . 2 . . . . . . . . 6406 1 72 . 1 1 6 6 GLN HG2 H 1 2.27 0.03 . 2 . . . . . . . . 6406 1 73 . 1 1 6 6 GLN HG3 H 1 2.57 0.03 . 2 . . . . . . . . 6406 1 74 . 1 1 6 6 GLN HE21 H 1 9.151 0.03 . 1 . . . . . . . . 6406 1 75 . 1 1 6 6 GLN HE22 H 1 7.436 0.03 . 1 . . . . . . . . 6406 1 76 . 1 1 6 6 GLN C C 13 175.29 0.50 . 1 . . . . . . . . 6406 1 77 . 1 1 6 6 GLN CA C 13 55.77 0.50 . 1 . . . . . . . . 6406 1 78 . 1 1 6 6 GLN CB C 13 34.21 0.50 . 1 . . . . . . . . 6406 1 79 . 1 1 6 6 GLN CG C 13 39.331 0.50 . 1 . . . . . . . . 6406 1 80 . 1 1 6 6 GLN N N 15 123.387 0.25 . 1 . . . . . . . . 6406 1 81 . 1 1 6 6 GLN NE2 N 15 115.368 0.25 . 1 . . . . . . . . 6406 1 82 . 1 1 7 7 SER H H 1 8.295 0.03 . 1 . . . . . . . . 6406 1 83 . 1 1 7 7 SER HA H 1 4.54 0.03 . 1 . . . . . . . . 6406 1 84 . 1 1 7 7 SER HB2 H 1 3.78 0.03 . 2 . . . . . . . . 6406 1 85 . 1 1 7 7 SER HB3 H 1 3.90 0.03 . 2 . . . . . . . . 6406 1 86 . 1 1 7 7 SER C C 13 171.841 0.50 . 1 . . . . . . . . 6406 1 87 . 1 1 7 7 SER CA C 13 56.12 0.50 . 1 . . . . . . . . 6406 1 88 . 1 1 7 7 SER CB C 13 65.04 0.50 . 1 . . . . . . . . 6406 1 89 . 1 1 7 7 SER N N 15 115.303 0.25 . 1 . . . . . . . . 6406 1 90 . 1 1 8 8 PRO HA H 1 5.10 0.03 . 1 . . . . . . . . 6406 1 91 . 1 1 8 8 PRO HB2 H 1 2.63 0.03 . 1 . . . . . . . . 6406 1 92 . 1 1 8 8 PRO HB3 H 1 2.63 0.03 . 1 . . . . . . . . 6406 1 93 . 1 1 8 8 PRO HG2 H 1 1.59 0.03 . 2 . . . . . . . . 6406 1 94 . 1 1 8 8 PRO HG3 H 1 2.16 0.03 . 2 . . . . . . . . 6406 1 95 . 1 1 8 8 PRO HD2 H 1 3.73 0.03 . 1 . . . . . . . . 6406 1 96 . 1 1 8 8 PRO HD3 H 1 3.73 0.03 . 1 . . . . . . . . 6406 1 97 . 1 1 8 8 PRO CA C 13 62.7 0.50 . 1 . . . . . . . . 6406 1 98 . 1 1 8 8 PRO CB C 13 34.8 0.50 . 1 . . . . . . . . 6406 1 99 . 1 1 8 8 PRO CG C 13 26.1 0.50 . 1 . . . . . . . . 6406 1 100 . 1 1 8 8 PRO CD C 13 49.0 0.50 . 1 . . . . . . . . 6406 1 101 . 1 1 9 9 GLN HA H 1 4.41 0.03 . 1 . . . . . . . . 6406 1 102 . 1 1 9 9 GLN HB2 H 1 2.187 0.03 . 1 . . . . . . . . 6406 1 103 . 1 1 9 9 GLN HB3 H 1 2.187 0.03 . 1 . . . . . . . . 6406 1 104 . 1 1 9 9 GLN HG2 H 1 2.525 0.03 . 1 . . . . . . . . 6406 1 105 . 1 1 9 9 GLN HG3 H 1 2.525 0.03 . 1 . . . . . . . . 6406 1 106 . 1 1 9 9 GLN HE21 H 1 7.642 0.03 . 2 . . . . . . . . 6406 1 107 . 1 1 9 9 GLN HE22 H 1 6.88 0.03 . 2 . . . . . . . . 6406 1 108 . 1 1 9 9 GLN C C 13 176.94 0.50 . 1 . . . . . . . . 6406 1 109 . 1 1 9 9 GLN CA C 13 59.55 0.50 . 1 . . . . . . . . 6406 1 110 . 1 1 9 9 GLN CB C 13 29.13 0.50 . 1 . . . . . . . . 6406 1 111 . 1 1 9 9 GLN CG C 13 34.845 0.50 . 1 . . . . . . . . 6406 1 112 . 1 1 9 9 GLN NE2 N 15 112.576 0.50 . 1 . . . . . . . . 6406 1 113 . 1 1 10 10 SER H H 1 7.808 0.03 . 1 . . . . . . . . 6406 1 114 . 1 1 10 10 SER HA H 1 5.295 0.03 . 1 . . . . . . . . 6406 1 115 . 1 1 10 10 SER HB2 H 1 3.812 0.03 . 1 . . . . . . . . 6406 1 116 . 1 1 10 10 SER HB3 H 1 3.812 0.03 . 1 . . . . . . . . 6406 1 117 . 1 1 10 10 SER C C 13 171.74 0.50 . 1 . . . . . . . . 6406 1 118 . 1 1 10 10 SER CA C 13 56.62 0.50 . 1 . . . . . . . . 6406 1 119 . 1 1 10 10 SER CB C 13 65.28 0.50 . 1 . . . . . . . . 6406 1 120 . 1 1 10 10 SER N N 15 111.548 0.25 . 1 . . . . . . . . 6406 1 121 . 1 1 11 11 LEU H H 1 8.909 0.03 . 1 . . . . . . . . 6406 1 122 . 1 1 11 11 LEU HA H 1 4.732 0.03 . 1 . . . . . . . . 6406 1 123 . 1 1 11 11 LEU HB2 H 1 1.326 0.03 . 2 . . . . . . . . 6406 1 124 . 1 1 11 11 LEU HB3 H 1 1.611 0.03 . 1 . . . . . . . . 6406 1 125 . 1 1 11 11 LEU HG H 1 0.83 0.03 . 1 . . . . . . . . 6406 1 126 . 1 1 11 11 LEU HD11 H 1 0.995 0.03 . 1 . . . . . . . . 6406 1 127 . 1 1 11 11 LEU HD12 H 1 0.995 0.03 . 1 . . . . . . . . 6406 1 128 . 1 1 11 11 LEU HD13 H 1 0.995 0.03 . 1 . . . . . . . . 6406 1 129 . 1 1 11 11 LEU HD21 H 1 0.995 0.03 . 1 . . . . . . . . 6406 1 130 . 1 1 11 11 LEU HD22 H 1 0.995 0.03 . 1 . . . . . . . . 6406 1 131 . 1 1 11 11 LEU HD23 H 1 0.995 0.03 . 1 . . . . . . . . 6406 1 132 . 1 1 11 11 LEU C C 13 173.94 0.50 . 1 . . . . . . . . 6406 1 133 . 1 1 11 11 LEU CA C 13 54.74 0.50 . 1 . . . . . . . . 6406 1 134 . 1 1 11 11 LEU CB C 13 46.08 0.50 . 1 . . . . . . . . 6406 1 135 . 1 1 11 11 LEU CG C 13 26.15 0.50 . 1 . . . . . . . . 6406 1 136 . 1 1 11 11 LEU CD1 C 13 23.937 0.50 . 1 . . . . . . . . 6406 1 137 . 1 1 11 11 LEU CD2 C 13 23.937 0.50 . 1 . . . . . . . . 6406 1 138 . 1 1 11 11 LEU N N 15 125.531 0.25 . 1 . . . . . . . . 6406 1 139 . 1 1 12 12 THR H H 1 8.407 0.03 . 1 . . . . . . . . 6406 1 140 . 1 1 12 12 THR HA H 1 5.516 0.03 . 1 . . . . . . . . 6406 1 141 . 1 1 12 12 THR HB H 1 3.773 0.03 . 1 . . . . . . . . 6406 1 142 . 1 1 12 12 THR HG21 H 1 0.836 0.03 . 1 . . . . . . . . 6406 1 143 . 1 1 12 12 THR HG22 H 1 0.836 0.03 . 1 . . . . . . . . 6406 1 144 . 1 1 12 12 THR HG23 H 1 0.836 0.03 . 1 . . . . . . . . 6406 1 145 . 1 1 12 12 THR C C 13 174.01 0.50 . 1 . . . . . . . . 6406 1 146 . 1 1 12 12 THR CA C 13 60.80 0.50 . 1 . . . . . . . . 6406 1 147 . 1 1 12 12 THR CB C 13 70.55 0.50 . 1 . . . . . . . . 6406 1 148 . 1 1 12 12 THR CG2 C 13 21.474 0.50 . 1 . . . . . . . . 6406 1 149 . 1 1 12 12 THR N N 15 122.168 0.25 . 1 . . . . . . . . 6406 1 150 . 1 1 13 13 VAL H H 1 8.657 0.03 . 1 . . . . . . . . 6406 1 151 . 1 1 13 13 VAL HA H 1 4.645 0.03 . 1 . . . . . . . . 6406 1 152 . 1 1 13 13 VAL HB H 1 2.455 0.03 . 1 . . . . . . . . 6406 1 153 . 1 1 13 13 VAL HG11 H 1 0.701 0.03 . 2 . . . . . . . . 6406 1 154 . 1 1 13 13 VAL HG12 H 1 0.701 0.03 . 2 . . . . . . . . 6406 1 155 . 1 1 13 13 VAL HG13 H 1 0.701 0.03 . 2 . . . . . . . . 6406 1 156 . 1 1 13 13 VAL HG21 H 1 0.812 0.03 . 2 . . . . . . . . 6406 1 157 . 1 1 13 13 VAL HG22 H 1 0.812 0.03 . 2 . . . . . . . . 6406 1 158 . 1 1 13 13 VAL HG23 H 1 0.812 0.03 . 2 . . . . . . . . 6406 1 159 . 1 1 13 13 VAL C C 13 173.8 0.50 . 1 . . . . . . . . 6406 1 160 . 1 1 13 13 VAL CA C 13 58.69 0.50 . 1 . . . . . . . . 6406 1 161 . 1 1 13 13 VAL CB C 13 35.39 0.50 . 1 . . . . . . . . 6406 1 162 . 1 1 13 13 VAL CG1 C 13 19.946 0.50 . 2 . . . . . . . . 6406 1 163 . 1 1 13 13 VAL CG2 C 13 21.575 0.50 . 2 . . . . . . . . 6406 1 164 . 1 1 13 13 VAL N N 15 118.866 0.25 . 1 . . . . . . . . 6406 1 165 . 1 1 14 14 TRP H H 1 8.555 0.03 . 1 . . . . . . . . 6406 1 166 . 1 1 14 14 TRP HA H 1 5.132 0.03 . 1 . . . . . . . . 6406 1 167 . 1 1 14 14 TRP HB2 H 1 2.897 0.03 . 2 . . . . . . . . 6406 1 168 . 1 1 14 14 TRP HB3 H 1 3.413 0.03 . 2 . . . . . . . . 6406 1 169 . 1 1 14 14 TRP HD1 H 1 7.48 0.03 . 1 . . . . . . . . 6406 1 170 . 1 1 14 14 TRP HE1 H 1 10.055 0.03 . 1 . . . . . . . . 6406 1 171 . 1 1 14 14 TRP HE3 H 1 7.89 0.03 . 1 . . . . . . . . 6406 1 172 . 1 1 14 14 TRP HZ2 H 1 7.497 0.03 . 1 . . . . . . . . 6406 1 173 . 1 1 14 14 TRP HZ3 H 1 7.209 0.03 . 1 . . . . . . . . 6406 1 174 . 1 1 14 14 TRP HH2 H 1 7.24 0.03 . 1 . . . . . . . . 6406 1 175 . 1 1 14 14 TRP C C 13 176.04 0.50 . 1 . . . . . . . . 6406 1 176 . 1 1 14 14 TRP CA C 13 56.22 0.50 . 1 . . . . . . . . 6406 1 177 . 1 1 14 14 TRP CB C 13 31.28 0.50 . 1 . . . . . . . . 6406 1 178 . 1 1 14 14 TRP CD1 C 13 128.22 0.50 . 1 . . . . . . . . 6406 1 179 . 1 1 14 14 TRP CE3 C 13 122.40 0.50 . 1 . . . . . . . . 6406 1 180 . 1 1 14 14 TRP CZ2 C 13 114.327 0.50 . 1 . . . . . . . . 6406 1 181 . 1 1 14 14 TRP CZ3 C 13 122.43 0.50 . 1 . . . . . . . . 6406 1 182 . 1 1 14 14 TRP CH2 C 13 124.63 0.50 . 1 . . . . . . . . 6406 1 183 . 1 1 14 14 TRP N N 15 121.342 0.25 . 1 . . . . . . . . 6406 1 184 . 1 1 14 14 TRP NE1 N 15 128.047 0.25 . 1 . . . . . . . . 6406 1 185 . 1 1 15 15 GLU H H 1 8.579 0.03 . 1 . . . . . . . . 6406 1 186 . 1 1 15 15 GLU HA H 1 3.772 0.03 . 1 . . . . . . . . 6406 1 187 . 1 1 15 15 GLU HB2 H 1 2.048 0.03 . 2 . . . . . . . . 6406 1 188 . 1 1 15 15 GLU HB3 H 1 1.972 0.03 . 2 . . . . . . . . 6406 1 189 . 1 1 15 15 GLU HG2 H 1 2.283 0.03 . 2 . . . . . . . . 6406 1 190 . 1 1 15 15 GLU HG3 H 1 2.485 0.03 . 2 . . . . . . . . 6406 1 191 . 1 1 15 15 GLU C C 13 177.08 0.50 . 1 . . . . . . . . 6406 1 192 . 1 1 15 15 GLU CA C 13 57.62 0.50 . 1 . . . . . . . . 6406 1 193 . 1 1 15 15 GLU CB C 13 30.15 0.50 . 1 . . . . . . . . 6406 1 194 . 1 1 15 15 GLU CG C 13 35.632 0.50 . 1 . . . . . . . . 6406 1 195 . 1 1 15 15 GLU N N 15 120.668 0.25 . 1 . . . . . . . . 6406 1 196 . 1 1 16 16 GLY H H 1 9.739 0.03 . 1 . . . . . . . . 6406 1 197 . 1 1 16 16 GLY HA2 H 1 4.508 0.03 . 2 . . . . . . . . 6406 1 198 . 1 1 16 16 GLY HA3 H 1 3.813 0.03 . 2 . . . . . . . . 6406 1 199 . 1 1 16 16 GLY C C 13 175.72 0.50 . 1 . . . . . . . . 6406 1 200 . 1 1 16 16 GLY CA C 13 44.76 0.50 . 1 . . . . . . . . 6406 1 201 . 1 1 16 16 GLY N N 15 116.06 0.25 . 1 . . . . . . . . 6406 1 202 . 1 1 17 17 GLU H H 1 8.431 0.03 . 1 . . . . . . . . 6406 1 203 . 1 1 17 17 GLU HA H 1 4.433 0.03 . 1 . . . . . . . . 6406 1 204 . 1 1 17 17 GLU HB2 H 1 2.366 0.03 . 2 . . . . . . . . 6406 1 205 . 1 1 17 17 GLU HB3 H 1 2.037 0.03 . 2 . . . . . . . . 6406 1 206 . 1 1 17 17 GLU HG2 H 1 2.583 0.03 . 2 . . . . . . . . 6406 1 207 . 1 1 17 17 GLU HG3 H 1 2.270 0.03 . 2 . . . . . . . . 6406 1 208 . 1 1 17 17 GLU C C 13 177.11 0.50 . 1 . . . . . . . . 6406 1 209 . 1 1 17 17 GLU CA C 13 56.76 0.50 . 1 . . . . . . . . 6406 1 210 . 1 1 17 17 GLU CB C 13 31.11 0.50 . 1 . . . . . . . . 6406 1 211 . 1 1 17 17 GLU CG C 13 38.417 0.50 . 1 . . . . . . . . 6406 1 212 . 1 1 17 17 GLU N N 15 120.917 0.25 . 1 . . . . . . . . 6406 1 213 . 1 1 18 18 THR H H 1 8.869 0.03 . 1 . . . . . . . . 6406 1 214 . 1 1 18 18 THR HA H 1 5.235 0.03 . 1 . . . . . . . . 6406 1 215 . 1 1 18 18 THR HB H 1 3.988 0.03 . 1 . . . . . . . . 6406 1 216 . 1 1 18 18 THR HG21 H 1 0.935 0.03 . 1 . . . . . . . . 6406 1 217 . 1 1 18 18 THR HG22 H 1 0.935 0.03 . 1 . . . . . . . . 6406 1 218 . 1 1 18 18 THR HG23 H 1 0.935 0.03 . 1 . . . . . . . . 6406 1 219 . 1 1 18 18 THR C C 13 173.95 0.50 . 1 . . . . . . . . 6406 1 220 . 1 1 18 18 THR CA C 13 61.76 0.50 . 1 . . . . . . . . 6406 1 221 . 1 1 18 18 THR CB C 13 69.53 0.50 . 1 . . . . . . . . 6406 1 222 . 1 1 18 18 THR CG2 C 13 21.147 0.50 . 1 . . . . . . . . 6406 1 223 . 1 1 18 18 THR N N 15 119.322 0.25 . 1 . . . . . . . . 6406 1 224 . 1 1 19 19 ALA H H 1 8.724 0.03 . 1 . . . . . . . . 6406 1 225 . 1 1 19 19 ALA HA H 1 4.411 0.03 . 1 . . . . . . . . 6406 1 226 . 1 1 19 19 ALA HB1 H 1 1.113 0.03 . 1 . . . . . . . . 6406 1 227 . 1 1 19 19 ALA HB2 H 1 1.113 0.03 . 1 . . . . . . . . 6406 1 228 . 1 1 19 19 ALA HB3 H 1 1.113 0.03 . 1 . . . . . . . . 6406 1 229 . 1 1 19 19 ALA C C 13 175.09 0.50 . 1 . . . . . . . . 6406 1 230 . 1 1 19 19 ALA CA C 13 50.61 0.50 . 1 . . . . . . . . 6406 1 231 . 1 1 19 19 ALA CB C 13 21.29 0.50 . 1 . . . . . . . . 6406 1 232 . 1 1 19 19 ALA N N 15 132.016 0.25 . 1 . . . . . . . . 6406 1 233 . 1 1 20 20 ILE H H 1 7.507 0.03 . 1 . . . . . . . . 6406 1 234 . 1 1 20 20 ILE HA H 1 4.322 0.03 . 1 . . . . . . . . 6406 1 235 . 1 1 20 20 ILE HB H 1 1.378 0.03 . 1 . . . . . . . . 6406 1 236 . 1 1 20 20 ILE HG12 H 1 0.976 0.03 . 2 . . . . . . . . 6406 1 237 . 1 1 20 20 ILE HG13 H 1 -0.42 0.03 . 2 . . . . . . . . 6406 1 238 . 1 1 20 20 ILE HG21 H 1 0.50 0.03 . 1 . . . . . . . . 6406 1 239 . 1 1 20 20 ILE HG22 H 1 0.50 0.03 . 1 . . . . . . . . 6406 1 240 . 1 1 20 20 ILE HG23 H 1 0.50 0.03 . 1 . . . . . . . . 6406 1 241 . 1 1 20 20 ILE HD11 H 1 0.52 0.03 . 1 . . . . . . . . 6406 1 242 . 1 1 20 20 ILE HD12 H 1 0.52 0.03 . 1 . . . . . . . . 6406 1 243 . 1 1 20 20 ILE HD13 H 1 0.52 0.03 . 1 . . . . . . . . 6406 1 244 . 1 1 20 20 ILE C C 13 173.49 0.50 . 1 . . . . . . . . 6406 1 245 . 1 1 20 20 ILE CA C 13 61.66 0.50 . 1 . . . . . . . . 6406 1 246 . 1 1 20 20 ILE CB C 13 39.1 0.50 . 1 . . . . . . . . 6406 1 247 . 1 1 20 20 ILE CG1 C 13 26.601 0.50 . 1 . . . . . . . . 6406 1 248 . 1 1 20 20 ILE CG2 C 13 16.9 0.50 . 1 . . . . . . . . 6406 1 249 . 1 1 20 20 ILE CD1 C 13 13.62 0.50 . 1 . . . . . . . . 6406 1 250 . 1 1 20 20 ILE N N 15 121.217 0.25 . 1 . . . . . . . . 6406 1 251 . 1 1 21 21 LEU H H 1 8.941 0.03 . 1 . . . . . . . . 6406 1 252 . 1 1 21 21 LEU HA H 1 4.638 0.03 . 1 . . . . . . . . 6406 1 253 . 1 1 21 21 LEU HB2 H 1 1.551 0.03 . 2 . . . . . . . . 6406 1 254 . 1 1 21 21 LEU HB3 H 1 2.384 0.03 . 2 . . . . . . . . 6406 1 255 . 1 1 21 21 LEU HG H 1 1.492 0.03 . 1 . . . . . . . . 6406 1 256 . 1 1 21 21 LEU HD11 H 1 0.727 0.03 . 2 . . . . . . . . 6406 1 257 . 1 1 21 21 LEU HD12 H 1 0.727 0.03 . 2 . . . . . . . . 6406 1 258 . 1 1 21 21 LEU HD13 H 1 0.727 0.03 . 2 . . . . . . . . 6406 1 259 . 1 1 21 21 LEU HD21 H 1 0.492 0.03 . 2 . . . . . . . . 6406 1 260 . 1 1 21 21 LEU HD22 H 1 0.492 0.03 . 2 . . . . . . . . 6406 1 261 . 1 1 21 21 LEU HD23 H 1 0.492 0.03 . 2 . . . . . . . . 6406 1 262 . 1 1 21 21 LEU C C 13 175.84 0.50 . 1 . . . . . . . . 6406 1 263 . 1 1 21 21 LEU CA C 13 54.93 0.50 . 1 . . . . . . . . 6406 1 264 . 1 1 21 21 LEU CB C 13 42.51 0.50 . 1 . . . . . . . . 6406 1 265 . 1 1 21 21 LEU CG C 13 29.614 0.50 . 1 . . . . . . . . 6406 1 266 . 1 1 21 21 LEU CD1 C 13 27.121 0.50 . 2 . . . . . . . . 6406 1 267 . 1 1 21 21 LEU CD2 C 13 25.589 0.50 . 2 . . . . . . . . 6406 1 268 . 1 1 21 21 LEU N N 15 128.477 0.25 . 1 . . . . . . . . 6406 1 269 . 1 1 22 22 ASN H H 1 8.634 0.03 . 1 . . . . . . . . 6406 1 270 . 1 1 22 22 ASN HA H 1 5.643 0.03 . 1 . . . . . . . . 6406 1 271 . 1 1 22 22 ASN HB2 H 1 2.909 0.03 . 2 . . . . . . . . 6406 1 272 . 1 1 22 22 ASN HB3 H 1 3.091 0.03 . 2 . . . . . . . . 6406 1 273 . 1 1 22 22 ASN HD21 H 1 7.167 0.03 . 1 . . . . . . . . 6406 1 274 . 1 1 22 22 ASN HD22 H 1 6.775 0.03 . 1 . . . . . . . . 6406 1 275 . 1 1 22 22 ASN C C 13 175.85 0.50 . 1 . . . . . . . . 6406 1 276 . 1 1 22 22 ASN CA C 13 53.85 0.50 . 1 . . . . . . . . 6406 1 277 . 1 1 22 22 ASN CB C 13 42.24 0.50 . 1 . . . . . . . . 6406 1 278 . 1 1 22 22 ASN CG C 13 176.538 0.50 . 1 . . . . . . . . 6406 1 279 . 1 1 22 22 ASN N N 15 118.082 0.25 . 1 . . . . . . . . 6406 1 280 . 1 1 22 22 ASN ND2 N 15 113.342 0.25 . 1 . . . . . . . . 6406 1 281 . 1 1 23 23 CYS H H 1 9.344 0.03 . 1 . . . . . . . . 6406 1 282 . 1 1 23 23 CYS HA H 1 5.414 0.03 . 1 . . . . . . . . 6406 1 283 . 1 1 23 23 CYS HB2 H 1 3.30 0.03 . 2 . . . . . . . . 6406 1 284 . 1 1 23 23 CYS HB3 H 1 3.234 0.03 . 2 . . . . . . . . 6406 1 285 . 1 1 23 23 CYS C C 13 171.53 0.50 . 1 . . . . . . . . 6406 1 286 . 1 1 23 23 CYS CA C 13 54.71 0.50 . 1 . . . . . . . . 6406 1 287 . 1 1 23 23 CYS CB C 13 43.60 0.50 . 1 . . . . . . . . 6406 1 288 . 1 1 23 23 CYS N N 15 123.371 0.25 . 1 . . . . . . . . 6406 1 289 . 1 1 24 24 SER H H 1 9.376 0.03 . 1 . . . . . . . . 6406 1 290 . 1 1 24 24 SER HA H 1 5.451 0.03 . 1 . . . . . . . . 6406 1 291 . 1 1 24 24 SER HB2 H 1 4.00 0.03 . 2 . . . . . . . . 6406 1 292 . 1 1 24 24 SER HB3 H 1 3.97 0.03 . 2 . . . . . . . . 6406 1 293 . 1 1 24 24 SER C C 13 171.78 0.50 . 1 . . . . . . . . 6406 1 294 . 1 1 24 24 SER CA C 13 57.69 0.50 . 1 . . . . . . . . 6406 1 295 . 1 1 24 24 SER CB C 13 66.42 0.50 . 1 . . . . . . . . 6406 1 296 . 1 1 24 24 SER N N 15 122.342 0.25 . 1 . . . . . . . . 6406 1 297 . 1 1 25 25 TYR H H 1 7.970 0.03 . 1 . . . . . . . . 6406 1 298 . 1 1 25 25 TYR HA H 1 5.809 0.03 . 1 . . . . . . . . 6406 1 299 . 1 1 25 25 TYR HB2 H 1 2.982 0.03 . 2 . . . . . . . . 6406 1 300 . 1 1 25 25 TYR HB3 H 1 3.387 0.03 . 2 . . . . . . . . 6406 1 301 . 1 1 25 25 TYR C C 13 174.12 0.50 . 1 . . . . . . . . 6406 1 302 . 1 1 25 25 TYR CA C 13 55.54 0.50 . 1 . . . . . . . . 6406 1 303 . 1 1 25 25 TYR CB C 13 41.81 0.50 . 1 . . . . . . . . 6406 1 304 . 1 1 25 25 TYR N N 15 116.93 0.25 . 1 . . . . . . . . 6406 1 305 . 1 1 26 26 GLU H H 1 8.457 0.03 . 1 . . . . . . . . 6406 1 306 . 1 1 26 26 GLU HA H 1 4.467 0.03 . 1 . . . . . . . . 6406 1 307 . 1 1 26 26 GLU HB2 H 1 1.879 0.03 . 2 . . . . . . . . 6406 1 308 . 1 1 26 26 GLU HB3 H 1 2.167 0.03 . 2 . . . . . . . . 6406 1 309 . 1 1 26 26 GLU HG2 H 1 2.328 0.03 . 2 . . . . . . . . 6406 1 310 . 1 1 26 26 GLU HG3 H 1 2.234 0.03 . 2 . . . . . . . . 6406 1 311 . 1 1 26 26 GLU C C 13 176.86 0.50 . 1 . . . . . . . . 6406 1 312 . 1 1 26 26 GLU CA C 13 56.59 0.50 . 1 . . . . . . . . 6406 1 313 . 1 1 26 26 GLU CB C 13 32.44 0.50 . 1 . . . . . . . . 6406 1 314 . 1 1 26 26 GLU CG C 13 35.996 0.50 . 1 . . . . . . . . 6406 1 315 . 1 1 26 26 GLU N N 15 115.306 0.25 . 1 . . . . . . . . 6406 1 316 . 1 1 27 27 ASN H H 1 7.028 0.03 . 1 . . . . . . . . 6406 1 317 . 1 1 27 27 ASN HA H 1 4.537 0.03 . 1 . . . . . . . . 6406 1 318 . 1 1 27 27 ASN HB2 H 1 1.345 0.03 . 2 . . . . . . . . 6406 1 319 . 1 1 27 27 ASN HB3 H 1 2.166 0.03 . 2 . . . . . . . . 6406 1 320 . 1 1 27 27 ASN HD21 H 1 6.874 0.03 . 1 . . . . . . . . 6406 1 321 . 1 1 27 27 ASN HD22 H 1 6.826 0.03 . 1 . . . . . . . . 6406 1 322 . 1 1 27 27 ASN C C 13 175.74 0.50 . 1 . . . . . . . . 6406 1 323 . 1 1 27 27 ASN CA C 13 53.01 0.50 . 1 . . . . . . . . 6406 1 324 . 1 1 27 27 ASN CB C 13 37.80 0.50 . 1 . . . . . . . . 6406 1 325 . 1 1 27 27 ASN N N 15 117.039 0.25 . 1 . . . . . . . . 6406 1 326 . 1 1 27 27 ASN ND2 N 15 110.841 0.25 . 1 . . . . . . . . 6406 1 327 . 1 1 28 28 SER H H 1 8.927 0.03 . 1 . . . . . . . . 6406 1 328 . 1 1 28 28 SER HA H 1 4.337 0.03 . 1 . . . . . . . . 6406 1 329 . 1 1 28 28 SER HB2 H 1 4.10 0.03 . 2 . . . . . . . . 6406 1 330 . 1 1 28 28 SER HB3 H 1 4.02 0.03 . 2 . . . . . . . . 6406 1 331 . 1 1 28 28 SER C C 13 174.66 0.50 . 1 . . . . . . . . 6406 1 332 . 1 1 28 28 SER CA C 13 61.00 0.50 . 1 . . . . . . . . 6406 1 333 . 1 1 28 28 SER CB C 13 63.52 0.50 . 1 . . . . . . . . 6406 1 334 . 1 1 28 28 SER N N 15 121.082 0.25 . 1 . . . . . . . . 6406 1 335 . 1 1 29 29 ALA H H 1 8.303 0.03 . 1 . . . . . . . . 6406 1 336 . 1 1 29 29 ALA HA H 1 4.350 0.03 . 1 . . . . . . . . 6406 1 337 . 1 1 29 29 ALA HB1 H 1 1.363 0.03 . 1 . . . . . . . . 6406 1 338 . 1 1 29 29 ALA HB2 H 1 1.363 0.03 . 1 . . . . . . . . 6406 1 339 . 1 1 29 29 ALA HB3 H 1 1.363 0.03 . 1 . . . . . . . . 6406 1 340 . 1 1 29 29 ALA C C 13 178.45 0.50 . 1 . . . . . . . . 6406 1 341 . 1 1 29 29 ALA CA C 13 52.52 0.50 . 1 . . . . . . . . 6406 1 342 . 1 1 29 29 ALA CB C 13 19.15 0.50 . 1 . . . . . . . . 6406 1 343 . 1 1 29 29 ALA N N 15 121.951 0.25 . 1 . . . . . . . . 6406 1 344 . 1 1 30 30 PHE H H 1 7.380 0.03 . 1 . . . . . . . . 6406 1 345 . 1 1 30 30 PHE HA H 1 4.244 0.03 . 1 . . . . . . . . 6406 1 346 . 1 1 30 30 PHE HB2 H 1 2.402 0.03 . 2 . . . . . . . . 6406 1 347 . 1 1 30 30 PHE HB3 H 1 3.005 0.03 . 2 . . . . . . . . 6406 1 348 . 1 1 30 30 PHE HD1 H 1 6.97 0.03 . 1 . . . . . . . . 6406 1 349 . 1 1 30 30 PHE HD2 H 1 6.97 0.03 . 1 . . . . . . . . 6406 1 350 . 1 1 30 30 PHE HE1 H 1 6.682 0.03 . 1 . . . . . . . . 6406 1 351 . 1 1 30 30 PHE HE2 H 1 6.682 0.03 . 1 . . . . . . . . 6406 1 352 . 1 1 30 30 PHE C C 13 174.97 0.50 . 1 . . . . . . . . 6406 1 353 . 1 1 30 30 PHE CA C 13 55.8 0.50 . 1 . . . . . . . . 6406 1 354 . 1 1 30 30 PHE CB C 13 37.86 0.50 . 1 . . . . . . . . 6406 1 355 . 1 1 30 30 PHE CD1 C 13 130.17 0.50 . 1 . . . . . . . . 6406 1 356 . 1 1 30 30 PHE CD2 C 13 130.17 0.50 . 1 . . . . . . . . 6406 1 357 . 1 1 30 30 PHE CE1 C 13 130.656 0.50 . 1 . . . . . . . . 6406 1 358 . 1 1 30 30 PHE CE2 C 13 130.656 0.50 . 1 . . . . . . . . 6406 1 359 . 1 1 30 30 PHE N N 15 116.32 0.25 . 1 . . . . . . . . 6406 1 360 . 1 1 31 31 ASP H H 1 8.426 0.03 . 1 . . . . . . . . 6406 1 361 . 1 1 31 31 ASP HA H 1 4.96 0.03 . 1 . . . . . . . . 6406 1 362 . 1 1 31 31 ASP HB2 H 1 2.605 0.03 . 2 . . . . . . . . 6406 1 363 . 1 1 31 31 ASP HB3 H 1 2.910 0.03 . 2 . . . . . . . . 6406 1 364 . 1 1 31 31 ASP C C 13 173.33 0.50 . 1 . . . . . . . . 6406 1 365 . 1 1 31 31 ASP CA C 13 53.98 0.50 . 1 . . . . . . . . 6406 1 366 . 1 1 31 31 ASP CB C 13 44.81 0.50 . 1 . . . . . . . . 6406 1 367 . 1 1 31 31 ASP N N 15 120.079 0.25 . 1 . . . . . . . . 6406 1 368 . 1 1 32 32 TYR H H 1 7.399 0.03 . 1 . . . . . . . . 6406 1 369 . 1 1 32 32 TYR HA H 1 5.04 0.03 . 1 . . . . . . . . 6406 1 370 . 1 1 32 32 TYR HB2 H 1 2.449 0.03 . 2 . . . . . . . . 6406 1 371 . 1 1 32 32 TYR HB3 H 1 2.723 0.03 . 2 . . . . . . . . 6406 1 372 . 1 1 32 32 TYR HD1 H 1 6.92 0.03 . 1 . . . . . . . . 6406 1 373 . 1 1 32 32 TYR HD2 H 1 6.92 0.03 . 1 . . . . . . . . 6406 1 374 . 1 1 32 32 TYR HE1 H 1 6.68 0.03 . 1 . . . . . . . . 6406 1 375 . 1 1 32 32 TYR HE2 H 1 6.68 0.03 . 1 . . . . . . . . 6406 1 376 . 1 1 32 32 TYR C C 13 172.48 0.50 . 1 . . . . . . . . 6406 1 377 . 1 1 32 32 TYR CA C 13 55.97 0.50 . 1 . . . . . . . . 6406 1 378 . 1 1 32 32 TYR CB C 13 40.32 0.50 . 1 . . . . . . . . 6406 1 379 . 1 1 32 32 TYR CD1 C 13 133.27 0.50 . 1 . . . . . . . . 6406 1 380 . 1 1 32 32 TYR CD2 C 13 133.27 0.50 . 1 . . . . . . . . 6406 1 381 . 1 1 32 32 TYR CE1 C 13 117.62 0.50 . 1 . . . . . . . . 6406 1 382 . 1 1 32 32 TYR CE2 C 13 117.62 0.50 . 1 . . . . . . . . 6406 1 383 . 1 1 32 32 TYR N N 15 121.061 0.25 . 1 . . . . . . . . 6406 1 384 . 1 1 33 33 PHE H H 1 7.973 0.03 . 1 . . . . . . . . 6406 1 385 . 1 1 33 33 PHE HA H 1 5.024 0.03 . 1 . . . . . . . . 6406 1 386 . 1 1 33 33 PHE HB2 H 1 2.81 0.03 . 1 . . . . . . . . 6406 1 387 . 1 1 33 33 PHE HB3 H 1 2.81 0.03 . 1 . . . . . . . . 6406 1 388 . 1 1 33 33 PHE C C 13 173.089 0.50 . 1 . . . . . . . . 6406 1 389 . 1 1 33 33 PHE CA C 13 54.56 0.50 . 1 . . . . . . . . 6406 1 390 . 1 1 33 33 PHE CB C 13 40.32 0.50 . 1 . . . . . . . . 6406 1 391 . 1 1 33 33 PHE N N 15 122.488 0.25 . 1 . . . . . . . . 6406 1 392 . 1 1 34 34 PRO HA H 1 4.396 0.03 . 1 . . . . . . . . 6406 1 393 . 1 1 34 34 PRO HB2 H 1 1.350 0.03 . 2 . . . . . . . . 6406 1 394 . 1 1 34 34 PRO HB3 H 1 1.531 0.03 . 2 . . . . . . . . 6406 1 395 . 1 1 34 34 PRO HG2 H 1 2.04 0.03 . 2 . . . . . . . . 6406 1 396 . 1 1 34 34 PRO HG3 H 1 2.12 0.03 . 2 . . . . . . . . 6406 1 397 . 1 1 34 34 PRO HD2 H 1 3.84 0.03 . 2 . . . . . . . . 6406 1 398 . 1 1 34 34 PRO HD3 H 1 3.79 0.03 . 2 . . . . . . . . 6406 1 399 . 1 1 34 34 PRO C C 13 174.46 0.50 . 1 . . . . . . . . 6406 1 400 . 1 1 34 34 PRO CA C 13 61.29 0.50 . 1 . . . . . . . . 6406 1 401 . 1 1 34 34 PRO CB C 13 32.55 0.50 . 1 . . . . . . . . 6406 1 402 . 1 1 34 34 PRO CG C 13 27.22 0.50 . 1 . . . . . . . . 6406 1 403 . 1 1 34 34 PRO CD C 13 50.29 0.50 . 1 . . . . . . . . 6406 1 404 . 1 1 35 35 TRP H H 1 8.688 0.03 . 1 . . . . . . . . 6406 1 405 . 1 1 35 35 TRP HA H 1 5.558 0.03 . 1 . . . . . . . . 6406 1 406 . 1 1 35 35 TRP HB2 H 1 2.963 0.03 . 1 . . . . . . . . 6406 1 407 . 1 1 35 35 TRP HB3 H 1 2.963 0.03 . 1 . . . . . . . . 6406 1 408 . 1 1 35 35 TRP HD1 H 1 7.15 0.03 . 1 . . . . . . . . 6406 1 409 . 1 1 35 35 TRP HE1 H 1 7.658 0.03 . 1 . . . . . . . . 6406 1 410 . 1 1 35 35 TRP HE3 H 1 7.33 0.03 . 1 . . . . . . . . 6406 1 411 . 1 1 35 35 TRP HZ2 H 1 7.07 0.03 . 1 . . . . . . . . 6406 1 412 . 1 1 35 35 TRP HZ3 H 1 6.903 0.03 . 1 . . . . . . . . 6406 1 413 . 1 1 35 35 TRP HH2 H 1 6.91 0.03 . 1 . . . . . . . . 6406 1 414 . 1 1 35 35 TRP C C 13 176.29 0.50 . 1 . . . . . . . . 6406 1 415 . 1 1 35 35 TRP CA C 13 55.40 0.50 . 1 . . . . . . . . 6406 1 416 . 1 1 35 35 TRP CB C 13 30.13 0.50 . 1 . . . . . . . . 6406 1 417 . 1 1 35 35 TRP CD1 C 13 125.67 0.50 . 1 . . . . . . . . 6406 1 418 . 1 1 35 35 TRP CE3 C 13 120.65 0.05 . 1 . . . . . . . . 6406 1 419 . 1 1 35 35 TRP CZ2 C 13 114.226 0.50 . 1 . . . . . . . . 6406 1 420 . 1 1 35 35 TRP CZ3 C 13 122.027 0.50 . 1 . . . . . . . . 6406 1 421 . 1 1 35 35 TRP CH2 C 13 124.76 0.50 . 1 . . . . . . . . 6406 1 422 . 1 1 35 35 TRP N N 15 116.402 0.25 . 1 . . . . . . . . 6406 1 423 . 1 1 35 35 TRP NE1 N 15 121.65 0.25 . 1 . . . . . . . . 6406 1 424 . 1 1 36 36 TYR H H 1 9.412 0.03 . 1 . . . . . . . . 6406 1 425 . 1 1 36 36 TYR HA H 1 5.157 0.03 . 1 . . . . . . . . 6406 1 426 . 1 1 36 36 TYR HB2 H 1 2.851 0.03 . 2 . . . . . . . . 6406 1 427 . 1 1 36 36 TYR HB3 H 1 2.714 0.03 . 2 . . . . . . . . 6406 1 428 . 1 1 36 36 TYR HD1 H 1 6.40 0.03 . 1 . . . . . . . . 6406 1 429 . 1 1 36 36 TYR HD2 H 1 6.40 0.03 . 1 . . . . . . . . 6406 1 430 . 1 1 36 36 TYR HE1 H 1 6.33 0.03 . 1 . . . . . . . . 6406 1 431 . 1 1 36 36 TYR HE2 H 1 6.33 0.03 . 1 . . . . . . . . 6406 1 432 . 1 1 36 36 TYR C C 13 174.62 0.50 . 1 . . . . . . . . 6406 1 433 . 1 1 36 36 TYR CA C 13 56.41 0.50 . 1 . . . . . . . . 6406 1 434 . 1 1 36 36 TYR CB C 13 43.484 0.50 . 1 . . . . . . . . 6406 1 435 . 1 1 36 36 TYR CD1 C 13 132.39 0.50 . 3 . . . . . . . . 6406 1 436 . 1 1 36 36 TYR CD2 C 13 132.89 0.50 . 3 . . . . . . . . 6406 1 437 . 1 1 36 36 TYR CE1 C 13 118.28 0.50 . 1 . . . . . . . . 6406 1 438 . 1 1 36 36 TYR CE2 C 13 118.28 0.50 . 1 . . . . . . . . 6406 1 439 . 1 1 36 36 TYR N N 15 118.882 0.25 . 1 . . . . . . . . 6406 1 440 . 1 1 37 37 GLN H H 1 9.357 0.03 . 1 . . . . . . . . 6406 1 441 . 1 1 37 37 GLN HA H 1 4.349 0.03 . 1 . . . . . . . . 6406 1 442 . 1 1 37 37 GLN HB2 H 1 1.49 0.03 . 2 . . . . . . . . 6406 1 443 . 1 1 37 37 GLN HB3 H 1 1.934 0.03 . 2 . . . . . . . . 6406 1 444 . 1 1 37 37 GLN HG2 H 1 1.06 0.03 . 2 . . . . . . . . 6406 1 445 . 1 1 37 37 GLN HG3 H 1 0.82 0.03 . 2 . . . . . . . . 6406 1 446 . 1 1 37 37 GLN HE21 H 1 7.586 0.03 . 1 . . . . . . . . 6406 1 447 . 1 1 37 37 GLN HE22 H 1 7.41 0.03 . 1 . . . . . . . . 6406 1 448 . 1 1 37 37 GLN C C 13 174.16 0.50 . 1 . . . . . . . . 6406 1 449 . 1 1 37 37 GLN CA C 13 54.12 0.50 . 1 . . . . . . . . 6406 1 450 . 1 1 37 37 GLN CB C 13 34.16 0.50 . 1 . . . . . . . . 6406 1 451 . 1 1 37 37 GLN CG C 13 34.3 0.50 . 1 . . . . . . . . 6406 1 452 . 1 1 37 37 GLN N N 15 122.716 0.25 . 1 . . . . . . . . 6406 1 453 . 1 1 37 37 GLN NE2 N 15 113.23 0.25 . 1 . . . . . . . . 6406 1 454 . 1 1 38 38 GLN H H 1 9.296 0.03 . 1 . . . . . . . . 6406 1 455 . 1 1 38 38 GLN HA H 1 4.826 0.03 . 1 . . . . . . . . 6406 1 456 . 1 1 38 38 GLN HB2 H 1 1.439 0.03 . 2 . . . . . . . . 6406 1 457 . 1 1 38 38 GLN HB3 H 1 2.296 0.03 . 2 . . . . . . . . 6406 1 458 . 1 1 38 38 GLN HE21 H 1 7.461 0.03 . 1 . . . . . . . . 6406 1 459 . 1 1 38 38 GLN HE22 H 1 6.892 0.03 . 1 . . . . . . . . 6406 1 460 . 1 1 38 38 GLN C C 13 174.74 0.50 . 1 . . . . . . . . 6406 1 461 . 1 1 38 38 GLN CA C 13 54.57 0.50 . 1 . . . . . . . . 6406 1 462 . 1 1 38 38 GLN CB C 13 32.59 0.50 . 1 . . . . . . . . 6406 1 463 . 1 1 38 38 GLN N N 15 128.149 0.25 . 1 . . . . . . . . 6406 1 464 . 1 1 38 38 GLN NE2 N 15 113.246 0.25 . 1 . . . . . . . . 6406 1 465 . 1 1 39 39 PHE H H 1 9.005 0.03 . 1 . . . . . . . . 6406 1 466 . 1 1 39 39 PHE HA H 1 4.826 0.03 . 1 . . . . . . . . 6406 1 467 . 1 1 39 39 PHE HB2 H 1 2.56 0.03 . 2 . . . . . . . . 6406 1 468 . 1 1 39 39 PHE HB3 H 1 3.38 0.03 . 2 . . . . . . . . 6406 1 469 . 1 1 39 39 PHE HD1 H 1 7.44 0.03 . 1 . . . . . . . . 6406 1 470 . 1 1 39 39 PHE HD2 H 1 7.44 0.03 . 1 . . . . . . . . 6406 1 471 . 1 1 39 39 PHE C C 13 174.53 0.50 . 1 . . . . . . . . 6406 1 472 . 1 1 39 39 PHE CA C 13 57.25 0.50 . 1 . . . . . . . . 6406 1 473 . 1 1 39 39 PHE CB C 13 37.776 0.50 . 1 . . . . . . . . 6406 1 474 . 1 1 39 39 PHE CD1 C 13 131.35 0.50 . 1 . . . . . . . . 6406 1 475 . 1 1 39 39 PHE CD2 C 13 131.35 0.50 . 1 . . . . . . . . 6406 1 476 . 1 1 39 39 PHE N N 15 131.753 0.25 . 1 . . . . . . . . 6406 1 477 . 1 1 40 40 PRO HA H 1 4.368 0.03 . 1 . . . . . . . . 6406 1 478 . 1 1 40 40 PRO HB2 H 1 1.956 0.03 . 2 . . . . . . . . 6406 1 479 . 1 1 40 40 PRO HB3 H 1 2.331 0.03 . 2 . . . . . . . . 6406 1 480 . 1 1 40 40 PRO HG2 H 1 2.13 0.03 . 2 . . . . . . . . 6406 1 481 . 1 1 40 40 PRO HG3 H 1 2.28 0.03 . 2 . . . . . . . . 6406 1 482 . 1 1 40 40 PRO HD2 H 1 4.07 0.03 . 2 . . . . . . . . 6406 1 483 . 1 1 40 40 PRO HD3 H 1 3.97 0.03 . 2 . . . . . . . . 6406 1 484 . 1 1 40 40 PRO C C 13 178.12 0.50 . 1 . . . . . . . . 6406 1 485 . 1 1 40 40 PRO CA C 13 64.44 0.50 . 1 . . . . . . . . 6406 1 486 . 1 1 40 40 PRO CB C 13 31.74 0.50 . 1 . . . . . . . . 6406 1 487 . 1 1 40 40 PRO CG C 13 28.1 0.50 . 1 . . . . . . . . 6406 1 488 . 1 1 40 40 PRO CD C 13 50.76 0.50 . 1 . . . . . . . . 6406 1 489 . 1 1 41 41 GLY H H 1 8.716 0.03 . 1 . . . . . . . . 6406 1 490 . 1 1 41 41 GLY HA2 H 1 3.73 0.03 . 2 . . . . . . . . 6406 1 491 . 1 1 41 41 GLY HA3 H 1 4.231 0.03 . 2 . . . . . . . . 6406 1 492 . 1 1 41 41 GLY C C 13 173.78 0.50 . 1 . . . . . . . . 6406 1 493 . 1 1 41 41 GLY CA C 13 45.7 0.50 . 1 . . . . . . . . 6406 1 494 . 1 1 41 41 GLY N N 15 112.496 0.25 . 1 . . . . . . . . 6406 1 495 . 1 1 42 42 GLU H H 1 8.077 0.03 . 1 . . . . . . . . 6406 1 496 . 1 1 42 42 GLU HA H 1 4.818 0.03 . 1 . . . . . . . . 6406 1 497 . 1 1 42 42 GLU HB2 H 1 2.139 0.03 . 2 . . . . . . . . 6406 1 498 . 1 1 42 42 GLU HB3 H 1 2.387 0.03 . 2 . . . . . . . . 6406 1 499 . 1 1 42 42 GLU HG2 H 1 2.21 0.03 . 2 . . . . . . . . 6406 1 500 . 1 1 42 42 GLU HG3 H 1 2.32 0.03 . 2 . . . . . . . . 6406 1 501 . 1 1 42 42 GLU C C 13 176.41 0.50 . 1 . . . . . . . . 6406 1 502 . 1 1 42 42 GLU CA C 13 54.33 0.50 . 1 . . . . . . . . 6406 1 503 . 1 1 42 42 GLU CB C 13 33.43 0.50 . 1 . . . . . . . . 6406 1 504 . 1 1 42 42 GLU CG C 13 35.957 0.50 . 1 . . . . . . . . 6406 1 505 . 1 1 42 42 GLU N N 15 119.548 0.25 . 1 . . . . . . . . 6406 1 506 . 1 1 43 43 GLY H H 1 8.509 0.03 . 1 . . . . . . . . 6406 1 507 . 1 1 43 43 GLY HA2 H 1 3.742 0.03 . 2 . . . . . . . . 6406 1 508 . 1 1 43 43 GLY HA3 H 1 4.448 0.03 . 2 . . . . . . . . 6406 1 509 . 1 1 43 43 GLY CA C 13 44.047 0.50 . 1 . . . . . . . . 6406 1 510 . 1 1 43 43 GLY N N 15 106.069 0.25 . 1 . . . . . . . . 6406 1 511 . 1 1 44 44 PRO HA H 1 4.508 0.03 . 1 . . . . . . . . 6406 1 512 . 1 1 44 44 PRO HB2 H 1 1.862 0.03 . 2 . . . . . . . . 6406 1 513 . 1 1 44 44 PRO HB3 H 1 1.926 0.03 . 2 . . . . . . . . 6406 1 514 . 1 1 44 44 PRO HG2 H 1 1.79 0.03 . 2 . . . . . . . . 6406 1 515 . 1 1 44 44 PRO HG3 H 1 1.58 0.03 . 2 . . . . . . . . 6406 1 516 . 1 1 44 44 PRO HD2 H 1 3.45 0.03 . 2 . . . . . . . . 6406 1 517 . 1 1 44 44 PRO HD3 H 1 3.57 0.03 . 2 . . . . . . . . 6406 1 518 . 1 1 44 44 PRO C C 13 175.91 0.50 . 1 . . . . . . . . 6406 1 519 . 1 1 44 44 PRO CA C 13 63.08 0.50 . 1 . . . . . . . . 6406 1 520 . 1 1 44 44 PRO CB C 13 32.02 0.50 . 1 . . . . . . . . 6406 1 521 . 1 1 44 44 PRO CG C 13 26.973 0.50 . 1 . . . . . . . . 6406 1 522 . 1 1 44 44 PRO CD C 13 49.352 0.50 . 1 . . . . . . . . 6406 1 523 . 1 1 45 45 ALA H H 1 8.895 0.03 . 1 . . . . . . . . 6406 1 524 . 1 1 45 45 ALA HA H 1 4.952 0.03 . 1 . . . . . . . . 6406 1 525 . 1 1 45 45 ALA HB1 H 1 1.568 0.03 . 1 . . . . . . . . 6406 1 526 . 1 1 45 45 ALA HB2 H 1 1.568 0.03 . 1 . . . . . . . . 6406 1 527 . 1 1 45 45 ALA HB3 H 1 1.568 0.03 . 1 . . . . . . . . 6406 1 528 . 1 1 45 45 ALA C C 13 176.66 0.50 . 1 . . . . . . . . 6406 1 529 . 1 1 45 45 ALA CA C 13 50.85 0.50 . 1 . . . . . . . . 6406 1 530 . 1 1 45 45 ALA CB C 13 21.97 0.50 . 1 . . . . . . . . 6406 1 531 . 1 1 45 45 ALA N N 15 126.371 0.25 . 1 . . . . . . . . 6406 1 532 . 1 1 46 46 LEU H H 1 8.813 0.03 . 1 . . . . . . . . 6406 1 533 . 1 1 46 46 LEU HA H 1 3.156 0.03 . 1 . . . . . . . . 6406 1 534 . 1 1 46 46 LEU HB2 H 1 1.172 0.03 . 2 . . . . . . . . 6406 1 535 . 1 1 46 46 LEU HB3 H 1 1.607 0.03 . 2 . . . . . . . . 6406 1 536 . 1 1 46 46 LEU HG H 1 1.07 0.03 . 1 . . . . . . . . 6406 1 537 . 1 1 46 46 LEU HD11 H 1 0.717 0.03 . 2 . . . . . . . . 6406 1 538 . 1 1 46 46 LEU HD12 H 1 0.717 0.03 . 2 . . . . . . . . 6406 1 539 . 1 1 46 46 LEU HD13 H 1 0.717 0.03 . 2 . . . . . . . . 6406 1 540 . 1 1 46 46 LEU HD21 H 1 0.450 0.03 . 2 . . . . . . . . 6406 1 541 . 1 1 46 46 LEU HD22 H 1 0.450 0.03 . 2 . . . . . . . . 6406 1 542 . 1 1 46 46 LEU HD23 H 1 0.450 0.03 . 2 . . . . . . . . 6406 1 543 . 1 1 46 46 LEU C C 13 175.63 0.50 . 1 . . . . . . . . 6406 1 544 . 1 1 46 46 LEU CA C 13 57.1 0.50 . 1 . . . . . . . . 6406 1 545 . 1 1 46 46 LEU CB C 13 41.57 0.50 . 1 . . . . . . . . 6406 1 546 . 1 1 46 46 LEU CG C 13 27.159 0.50 . 1 . . . . . . . . 6406 1 547 . 1 1 46 46 LEU CD1 C 13 25.581 0.50 . 2 . . . . . . . . 6406 1 548 . 1 1 46 46 LEU CD2 C 13 24.227 0.50 . 2 . . . . . . . . 6406 1 549 . 1 1 46 46 LEU N N 15 126.585 0.25 . 1 . . . . . . . . 6406 1 550 . 1 1 47 47 LEU H H 1 9.125 0.03 . 1 . . . . . . . . 6406 1 551 . 1 1 47 47 LEU HA H 1 4.40 0.03 . 1 . . . . . . . . 6406 1 552 . 1 1 47 47 LEU HB2 H 1 1.179 0.03 . 2 . . . . . . . . 6406 1 553 . 1 1 47 47 LEU HB3 H 1 1.527 0.03 . 2 . . . . . . . . 6406 1 554 . 1 1 47 47 LEU HG H 1 0.89 0.03 . 1 . . . . . . . . 6406 1 555 . 1 1 47 47 LEU HD11 H 1 0.37 0.03 . 2 . . . . . . . . 6406 1 556 . 1 1 47 47 LEU HD12 H 1 0.37 0.03 . 2 . . . . . . . . 6406 1 557 . 1 1 47 47 LEU HD13 H 1 0.37 0.03 . 2 . . . . . . . . 6406 1 558 . 1 1 47 47 LEU HD21 H 1 0.54 0.03 . 2 . . . . . . . . 6406 1 559 . 1 1 47 47 LEU HD22 H 1 0.54 0.03 . 2 . . . . . . . . 6406 1 560 . 1 1 47 47 LEU HD23 H 1 0.54 0.03 . 2 . . . . . . . . 6406 1 561 . 1 1 47 47 LEU C C 13 175.00 0.50 . 1 . . . . . . . . 6406 1 562 . 1 1 47 47 LEU CA C 13 55.92 0.50 . 1 . . . . . . . . 6406 1 563 . 1 1 47 47 LEU CB C 13 45.90 0.50 . 1 . . . . . . . . 6406 1 564 . 1 1 47 47 LEU CG C 13 26.33 0.50 . 1 . . . . . . . . 6406 1 565 . 1 1 47 47 LEU CD1 C 13 21.532 0.50 . 2 . . . . . . . . 6406 1 566 . 1 1 47 47 LEU CD2 C 13 26.33 0.50 . 2 . . . . . . . . 6406 1 567 . 1 1 47 47 LEU N N 15 130.525 0.25 . 1 . . . . . . . . 6406 1 568 . 1 1 48 48 ILE H H 1 7.425 0.03 . 1 . . . . . . . . 6406 1 569 . 1 1 48 48 ILE HA H 1 4.463 0.03 . 1 . . . . . . . . 6406 1 570 . 1 1 48 48 ILE HB H 1 1.956 0.03 . 1 . . . . . . . . 6406 1 571 . 1 1 48 48 ILE HG12 H 1 1.05 0.03 . 2 . . . . . . . . 6406 1 572 . 1 1 48 48 ILE HG13 H 1 1.96 0.03 . 2 . . . . . . . . 6406 1 573 . 1 1 48 48 ILE HG21 H 1 0.57 0.03 . 1 . . . . . . . . 6406 1 574 . 1 1 48 48 ILE HG22 H 1 0.57 0.03 . 1 . . . . . . . . 6406 1 575 . 1 1 48 48 ILE HG23 H 1 0.57 0.03 . 1 . . . . . . . . 6406 1 576 . 1 1 48 48 ILE HD11 H 1 0.735 0.03 . 1 . . . . . . . . 6406 1 577 . 1 1 48 48 ILE HD12 H 1 0.735 0.03 . 1 . . . . . . . . 6406 1 578 . 1 1 48 48 ILE HD13 H 1 0.735 0.03 . 1 . . . . . . . . 6406 1 579 . 1 1 48 48 ILE C C 13 170.856 0.50 . 1 . . . . . . . . 6406 1 580 . 1 1 48 48 ILE CA C 13 59.9594 0.50 . 1 . . . . . . . . 6406 1 581 . 1 1 48 48 ILE CB C 13 39.2655 0.50 . 1 . . . . . . . . 6406 1 582 . 1 1 48 48 ILE CG1 C 13 27.4 0.50 . 1 . . . . . . . . 6406 1 583 . 1 1 48 48 ILE CG2 C 13 14.3 0.50 . 1 . . . . . . . . 6406 1 584 . 1 1 48 48 ILE CD1 C 13 15.65 0.50 . 1 . . . . . . . . 6406 1 585 . 1 1 48 48 ILE N N 15 114.65 0.25 . 1 . . . . . . . . 6406 1 586 . 1 1 49 49 SER H H 1 8.303 0.03 . 1 . . . . . . . . 6406 1 587 . 1 1 49 49 SER HA H 1 5.312 0.03 . 1 . . . . . . . . 6406 1 588 . 1 1 49 49 SER HB2 H 1 3.483 0.03 . 2 . . . . . . . . 6406 1 589 . 1 1 49 49 SER HB3 H 1 3.559 0.03 . 2 . . . . . . . . 6406 1 590 . 1 1 49 49 SER C C 13 170.81 0.50 . 1 . . . . . . . . 6406 1 591 . 1 1 49 49 SER CA C 13 57.21 0.50 . 1 . . . . . . . . 6406 1 592 . 1 1 49 49 SER CB C 13 67.73 0.50 . 1 . . . . . . . . 6406 1 593 . 1 1 49 49 SER N N 15 119.015 0.25 . 1 . . . . . . . . 6406 1 594 . 1 1 50 50 ILE H H 1 7.568 0.03 . 1 . . . . . . . . 6406 1 595 . 1 1 50 50 ILE HA H 1 4.63 0.03 . 1 . . . . . . . . 6406 1 596 . 1 1 50 50 ILE HB H 1 1.47 0.03 . 1 . . . . . . . . 6406 1 597 . 1 1 50 50 ILE HG12 H 1 1.76 0.03 . 2 . . . . . . . . 6406 1 598 . 1 1 50 50 ILE HG13 H 1 1.57 0.03 . 2 . . . . . . . . 6406 1 599 . 1 1 50 50 ILE HG21 H 1 0.79 0.03 . 1 . . . . . . . . 6406 1 600 . 1 1 50 50 ILE HG22 H 1 0.79 0.03 . 1 . . . . . . . . 6406 1 601 . 1 1 50 50 ILE HG23 H 1 0.79 0.03 . 1 . . . . . . . . 6406 1 602 . 1 1 50 50 ILE HD11 H 1 0.56 0.03 . 1 . . . . . . . . 6406 1 603 . 1 1 50 50 ILE HD12 H 1 0.56 0.03 . 1 . . . . . . . . 6406 1 604 . 1 1 50 50 ILE HD13 H 1 0.56 0.03 . 1 . . . . . . . . 6406 1 605 . 1 1 50 50 ILE C C 13 171.5 0.50 . 1 . . . . . . . . 6406 1 606 . 1 1 50 50 ILE CA C 13 60.20 0.50 . 1 . . . . . . . . 6406 1 607 . 1 1 50 50 ILE CB C 13 43.73 0.50 . 1 . . . . . . . . 6406 1 608 . 1 1 50 50 ILE CG1 C 13 28.832 0.50 . 1 . . . . . . . . 6406 1 609 . 1 1 50 50 ILE CG2 C 13 16.105 0.50 . 1 . . . . . . . . 6406 1 610 . 1 1 50 50 ILE CD1 C 13 14.9 0.50 . 1 . . . . . . . . 6406 1 611 . 1 1 50 50 ILE N N 15 117.746 0.25 . 1 . . . . . . . . 6406 1 612 . 1 1 51 51 LEU H H 1 7.669 0.03 . 1 . . . . . . . . 6406 1 613 . 1 1 51 51 LEU HA H 1 5.535 0.03 . 1 . . . . . . . . 6406 1 614 . 1 1 51 51 LEU HB2 H 1 1.74 0.03 . 2 . . . . . . . . 6406 1 615 . 1 1 51 51 LEU HB3 H 1 1.83 0.03 . 2 . . . . . . . . 6406 1 616 . 1 1 51 51 LEU HG H 1 1.77 0.03 . 1 . . . . . . . . 6406 1 617 . 1 1 51 51 LEU HD11 H 1 0.833 0.03 . 2 . . . . . . . . 6406 1 618 . 1 1 51 51 LEU HD12 H 1 0.833 0.03 . 2 . . . . . . . . 6406 1 619 . 1 1 51 51 LEU HD13 H 1 0.833 0.03 . 2 . . . . . . . . 6406 1 620 . 1 1 51 51 LEU HD21 H 1 0.95 0.03 . 2 . . . . . . . . 6406 1 621 . 1 1 51 51 LEU HD22 H 1 0.95 0.03 . 2 . . . . . . . . 6406 1 622 . 1 1 51 51 LEU HD23 H 1 0.95 0.03 . 2 . . . . . . . . 6406 1 623 . 1 1 51 51 LEU C C 13 179.05 0.50 . 1 . . . . . . . . 6406 1 624 . 1 1 51 51 LEU CA C 13 53.36 0.50 . 1 . . . . . . . . 6406 1 625 . 1 1 51 51 LEU CB C 13 44.93 0.50 . 1 . . . . . . . . 6406 1 626 . 1 1 51 51 LEU CG C 13 27.572 0.50 . 1 . . . . . . . . 6406 1 627 . 1 1 51 51 LEU CD1 C 13 25.209 0.50 . 2 . . . . . . . . 6406 1 628 . 1 1 51 51 LEU CD2 C 13 23.935 0.50 . 2 . . . . . . . . 6406 1 629 . 1 1 51 51 LEU N N 15 124.144 0.25 . 1 . . . . . . . . 6406 1 630 . 1 1 52 52 SER H H 1 8.526 0.03 . 1 . . . . . . . . 6406 1 631 . 1 1 52 52 SER HA H 1 3.753 0.03 . 1 . . . . . . . . 6406 1 632 . 1 1 52 52 SER HB2 H 1 4.303 0.03 . 2 . . . . . . . . 6406 1 633 . 1 1 52 52 SER HB3 H 1 4.021 0.03 . 2 . . . . . . . . 6406 1 634 . 1 1 52 52 SER C C 13 174.37 0.50 . 1 . . . . . . . . 6406 1 635 . 1 1 52 52 SER CA C 13 60.42 0.50 . 1 . . . . . . . . 6406 1 636 . 1 1 52 52 SER CB C 13 64.18 0.50 . 1 . . . . . . . . 6406 1 637 . 1 1 52 52 SER N N 15 112.918 0.25 . 1 . . . . . . . . 6406 1 638 . 1 1 53 53 VAL H H 1 6.766 0.03 . 1 . . . . . . . . 6406 1 639 . 1 1 53 53 VAL HA H 1 4.293 0.03 . 1 . . . . . . . . 6406 1 640 . 1 1 53 53 VAL HB H 1 2.410 0.03 . 1 . . . . . . . . 6406 1 641 . 1 1 53 53 VAL HG11 H 1 1.406 0.03 . 2 . . . . . . . . 6406 1 642 . 1 1 53 53 VAL HG12 H 1 1.406 0.03 . 2 . . . . . . . . 6406 1 643 . 1 1 53 53 VAL HG13 H 1 1.406 0.03 . 2 . . . . . . . . 6406 1 644 . 1 1 53 53 VAL HG21 H 1 0.970 0.03 . 2 . . . . . . . . 6406 1 645 . 1 1 53 53 VAL HG22 H 1 0.970 0.03 . 2 . . . . . . . . 6406 1 646 . 1 1 53 53 VAL HG23 H 1 0.970 0.03 . 2 . . . . . . . . 6406 1 647 . 1 1 53 53 VAL C C 13 175.824 0.50 . 1 . . . . . . . . 6406 1 648 . 1 1 53 53 VAL CA C 13 62.2569 0.50 . 1 . . . . . . . . 6406 1 649 . 1 1 53 53 VAL CB C 13 31.4757 0.50 . 1 . . . . . . . . 6406 1 650 . 1 1 53 53 VAL CG1 C 13 21.25 0.50 . 2 . . . . . . . . 6406 1 651 . 1 1 53 53 VAL CG2 C 13 19.25 0.50 . 2 . . . . . . . . 6406 1 652 . 1 1 53 53 VAL N N 15 113.40 0.25 . 1 . . . . . . . . 6406 1 653 . 1 1 54 54 SER H H 1 8.303 0.03 . 1 . . . . . . . . 6406 1 654 . 1 1 54 54 SER HA H 1 4.868 0.03 . 1 . . . . . . . . 6406 1 655 . 1 1 54 54 SER HB2 H 1 3.803 0.03 . 2 . . . . . . . . 6406 1 656 . 1 1 54 54 SER HB3 H 1 3.959 0.03 . 2 . . . . . . . . 6406 1 657 . 1 1 54 54 SER C C 13 171.89 0.50 . 1 . . . . . . . . 6406 1 658 . 1 1 54 54 SER CA C 13 57.5 0.50 . 1 . . . . . . . . 6406 1 659 . 1 1 54 54 SER CB C 13 65.2 0.50 . 1 . . . . . . . . 6406 1 660 . 1 1 54 54 SER N N 15 119.015 0.25 . 1 . . . . . . . . 6406 1 661 . 1 1 55 55 ASN H H 1 8.457 0.03 . 1 . . . . . . . . 6406 1 662 . 1 1 55 55 ASN HA H 1 5.297 0.03 . 1 . . . . . . . . 6406 1 663 . 1 1 55 55 ASN HB2 H 1 2.996 0.03 . 2 . . . . . . . . 6406 1 664 . 1 1 55 55 ASN HB3 H 1 3.185 0.03 . 2 . . . . . . . . 6406 1 665 . 1 1 55 55 ASN HD21 H 1 7.672 0.03 . 1 . . . . . . . . 6406 1 666 . 1 1 55 55 ASN HD22 H 1 6.988 0.03 . 1 . . . . . . . . 6406 1 667 . 1 1 55 55 ASN C C 13 175.76 0.50 . 1 . . . . . . . . 6406 1 668 . 1 1 55 55 ASN CA C 13 53.66 0.50 . 1 . . . . . . . . 6406 1 669 . 1 1 55 55 ASN CB C 13 39.84 0.50 . 1 . . . . . . . . 6406 1 670 . 1 1 55 55 ASN CG C 13 177.289 0.50 . 1 . . . . . . . . 6406 1 671 . 1 1 55 55 ASN N N 15 116.135 0.25 . 1 . . . . . . . . 6406 1 672 . 1 1 55 55 ASN ND2 N 15 112.322 0.25 . 1 . . . . . . . . 6406 1 673 . 1 1 56 56 LYS H H 1 7.804 0.03 . 1 . . . . . . . . 6406 1 674 . 1 1 56 56 LYS HA H 1 5.21 0.03 . 1 . . . . . . . . 6406 1 675 . 1 1 56 56 LYS HB2 H 1 1.623 0.03 . 1 . . . . . . . . 6406 1 676 . 1 1 56 56 LYS HB3 H 1 1.623 0.03 . 1 . . . . . . . . 6406 1 677 . 1 1 56 56 LYS HG2 H 1 0.943 0.03 . 2 . . . . . . . . 6406 1 678 . 1 1 56 56 LYS HG3 H 1 0.832 0.03 . 2 . . . . . . . . 6406 1 679 . 1 1 56 56 LYS HD2 H 1 1.536 0.03 . 1 . . . . . . . . 6406 1 680 . 1 1 56 56 LYS HD3 H 1 1.536 0.03 . 1 . . . . . . . . 6406 1 681 . 1 1 56 56 LYS HE2 H 1 2.72 0.03 . 2 . . . . . . . . 6406 1 682 . 1 1 56 56 LYS HE3 H 1 2.74 0.03 . 2 . . . . . . . . 6406 1 683 . 1 1 56 56 LYS C C 13 174.65 0.50 . 1 . . . . . . . . 6406 1 684 . 1 1 56 56 LYS CA C 13 55.53 0.50 . 1 . . . . . . . . 6406 1 685 . 1 1 56 56 LYS CB C 13 35.58 0.50 . 1 . . . . . . . . 6406 1 686 . 1 1 56 56 LYS CG C 13 24.474 0.50 . 1 . . . . . . . . 6406 1 687 . 1 1 56 56 LYS CD C 13 29.768 0.50 . 1 . . . . . . . . 6406 1 688 . 1 1 56 56 LYS CE C 13 41.9 0.50 . 1 . . . . . . . . 6406 1 689 . 1 1 56 56 LYS N N 15 120.618 0.25 . 1 . . . . . . . . 6406 1 690 . 1 1 57 57 LYS H H 1 8.558 0.03 . 1 . . . . . . . . 6406 1 691 . 1 1 57 57 LYS HA H 1 4.599 0.03 . 1 . . . . . . . . 6406 1 692 . 1 1 57 57 LYS HB2 H 1 1.770 0.03 . 1 . . . . . . . . 6406 1 693 . 1 1 57 57 LYS HB3 H 1 1.770 0.03 . 1 . . . . . . . . 6406 1 694 . 1 1 57 57 LYS HG2 H 1 1.71 0.03 . 2 . . . . . . . . 6406 1 695 . 1 1 57 57 LYS HG3 H 1 1.32 0.03 . 2 . . . . . . . . 6406 1 696 . 1 1 57 57 LYS HD2 H 1 1.91 0.03 . 1 . . . . . . . . 6406 1 697 . 1 1 57 57 LYS HD3 H 1 1.91 0.03 . 1 . . . . . . . . 6406 1 698 . 1 1 57 57 LYS HE2 H 1 3.12 0.03 . 1 . . . . . . . . 6406 1 699 . 1 1 57 57 LYS HE3 H 1 3.12 0.03 . 1 . . . . . . . . 6406 1 700 . 1 1 57 57 LYS C C 13 173.09 0.50 . 1 . . . . . . . . 6406 1 701 . 1 1 57 57 LYS CA C 13 55.42 0.50 . 1 . . . . . . . . 6406 1 702 . 1 1 57 57 LYS CB C 13 35.61 0.50 . 1 . . . . . . . . 6406 1 703 . 1 1 57 57 LYS CG C 13 24.625 0.50 . 1 . . . . . . . . 6406 1 704 . 1 1 57 57 LYS CD C 13 28.796 0.50 . 1 . . . . . . . . 6406 1 705 . 1 1 57 57 LYS CE C 13 42.429 0.50 . 1 . . . . . . . . 6406 1 706 . 1 1 57 57 LYS N N 15 125.442 0.25 . 1 . . . . . . . . 6406 1 707 . 1 1 58 58 GLU H H 1 8.803 0.03 . 1 . . . . . . . . 6406 1 708 . 1 1 58 58 GLU HA H 1 5.01 0.03 . 1 . . . . . . . . 6406 1 709 . 1 1 58 58 GLU HB2 H 1 1.795 0.03 . 2 . . . . . . . . 6406 1 710 . 1 1 58 58 GLU HB3 H 1 1.990 0.03 . 2 . . . . . . . . 6406 1 711 . 1 1 58 58 GLU HG2 H 1 2.089 0.03 . 1 . . . . . . . . 6406 1 712 . 1 1 58 58 GLU HG3 H 1 2.089 0.03 . 1 . . . . . . . . 6406 1 713 . 1 1 58 58 GLU C C 13 175.42 0.50 . 1 . . . . . . . . 6406 1 714 . 1 1 58 58 GLU CA C 13 54.75 0.50 . 1 . . . . . . . . 6406 1 715 . 1 1 58 58 GLU CB C 13 33.55 0.50 . 1 . . . . . . . . 6406 1 716 . 1 1 58 58 GLU CG C 13 36.429 0.50 . 1 . . . . . . . . 6406 1 717 . 1 1 58 58 GLU N N 15 126.754 0.25 . 1 . . . . . . . . 6406 1 718 . 1 1 59 59 ASP H H 1 9.171 0.03 . 1 . . . . . . . . 6406 1 719 . 1 1 59 59 ASP HA H 1 4.71 0.03 . 1 . . . . . . . . 6406 1 720 . 1 1 59 59 ASP HB2 H 1 2.408 0.03 . 2 . . . . . . . . 6406 1 721 . 1 1 59 59 ASP HB3 H 1 2.950 0.03 . 2 . . . . . . . . 6406 1 722 . 1 1 59 59 ASP C C 13 175.73 0.50 . 1 . . . . . . . . 6406 1 723 . 1 1 59 59 ASP CA C 13 54.04 0.50 . 1 . . . . . . . . 6406 1 724 . 1 1 59 59 ASP CB C 13 42.45 0.50 . 1 . . . . . . . . 6406 1 725 . 1 1 59 59 ASP N N 15 124.709 0.25 . 1 . . . . . . . . 6406 1 726 . 1 1 60 60 GLY H H 1 8.870 0.03 . 1 . . . . . . . . 6406 1 727 . 1 1 60 60 GLY HA2 H 1 3.616 0.03 . 2 . . . . . . . . 6406 1 728 . 1 1 60 60 GLY HA3 H 1 4.093 0.03 . 2 . . . . . . . . 6406 1 729 . 1 1 60 60 GLY C C 13 175.99 0.50 . 1 . . . . . . . . 6406 1 730 . 1 1 60 60 GLY CA C 13 47.09 0.50 . 1 . . . . . . . . 6406 1 731 . 1 1 60 60 GLY N N 15 114.861 0.50 . 1 . . . . . . . . 6406 1 732 . 1 1 61 61 ARG H H 1 8.790 0.03 . 1 . . . . . . . . 6406 1 733 . 1 1 61 61 ARG HA H 1 4.05 0.03 . 1 . . . . . . . . 6406 1 734 . 1 1 61 61 ARG HB2 H 1 1.153 0.03 . 2 . . . . . . . . 6406 1 735 . 1 1 61 61 ARG HB3 H 1 2.024 0.03 . 2 . . . . . . . . 6406 1 736 . 1 1 61 61 ARG C C 13 174.55 0.50 . 1 . . . . . . . . 6406 1 737 . 1 1 61 61 ARG CA C 13 57.61 0.50 . 1 . . . . . . . . 6406 1 738 . 1 1 61 61 ARG CB C 13 29.35 0.50 . 1 . . . . . . . . 6406 1 739 . 1 1 61 61 ARG CD C 13 42.539 0.50 . 1 . . . . . . . . 6406 1 740 . 1 1 61 61 ARG N N 15 126.441 0.25 . 1 . . . . . . . . 6406 1 741 . 1 1 62 62 PHE H H 1 7.964 0.03 . 1 . . . . . . . . 6406 1 742 . 1 1 62 62 PHE HA H 1 5.138 0.03 . 1 . . . . . . . . 6406 1 743 . 1 1 62 62 PHE HB2 H 1 2.608 0.03 . 2 . . . . . . . . 6406 1 744 . 1 1 62 62 PHE HB3 H 1 3.181 0.03 . 2 . . . . . . . . 6406 1 745 . 1 1 62 62 PHE HD1 H 1 7.22 0.03 . 1 . . . . . . . . 6406 1 746 . 1 1 62 62 PHE HD2 H 1 7.22 0.03 . 1 . . . . . . . . 6406 1 747 . 1 1 62 62 PHE C C 13 174.53 0.50 . 1 . . . . . . . . 6406 1 748 . 1 1 62 62 PHE CA C 13 56.89 0.50 . 1 . . . . . . . . 6406 1 749 . 1 1 62 62 PHE CB C 13 40.94 0.50 . 1 . . . . . . . . 6406 1 750 . 1 1 62 62 PHE CD1 C 13 131.99 0.50 . 1 . . . . . . . . 6406 1 751 . 1 1 62 62 PHE CD2 C 13 131.99 0.50 . 1 . . . . . . . . 6406 1 752 . 1 1 62 62 PHE N N 15 119.698 0.25 . 1 . . . . . . . . 6406 1 753 . 1 1 63 63 THR H H 1 8.685 0.03 . 1 . . . . . . . . 6406 1 754 . 1 1 63 63 THR HA H 1 5.162 0.03 . 1 . . . . . . . . 6406 1 755 . 1 1 63 63 THR HB H 1 3.537 0.03 . 1 . . . . . . . . 6406 1 756 . 1 1 63 63 THR HG21 H 1 0.222 0.03 . 1 . . . . . . . . 6406 1 757 . 1 1 63 63 THR HG22 H 1 0.222 0.03 . 1 . . . . . . . . 6406 1 758 . 1 1 63 63 THR HG23 H 1 0.222 0.03 . 1 . . . . . . . . 6406 1 759 . 1 1 63 63 THR C C 13 173.59 0.50 . 1 . . . . . . . . 6406 1 760 . 1 1 63 63 THR CA C 13 61.29 0.50 . 1 . . . . . . . . 6406 1 761 . 1 1 63 63 THR CB C 13 71.96 0.50 . 1 . . . . . . . . 6406 1 762 . 1 1 63 63 THR CG2 C 13 22.075 0.50 . 1 . . . . . . . . 6406 1 763 . 1 1 63 63 THR N N 15 117.422 0.25 . 1 . . . . . . . . 6406 1 764 . 1 1 64 64 ILE H H 1 8.914 0.03 . 1 . . . . . . . . 6406 1 765 . 1 1 64 64 ILE HA H 1 5.124 0.03 . 1 . . . . . . . . 6406 1 766 . 1 1 64 64 ILE HB H 1 1.402 0.03 . 1 . . . . . . . . 6406 1 767 . 1 1 64 64 ILE HG12 H 1 0.52 0.03 . 1 . . . . . . . . 6406 1 768 . 1 1 64 64 ILE HG13 H 1 0.52 0.03 . 1 . . . . . . . . 6406 1 769 . 1 1 64 64 ILE HG21 H 1 0.926 0.03 . 1 . . . . . . . . 6406 1 770 . 1 1 64 64 ILE HG22 H 1 0.926 0.03 . 1 . . . . . . . . 6406 1 771 . 1 1 64 64 ILE HG23 H 1 0.926 0.03 . 1 . . . . . . . . 6406 1 772 . 1 1 64 64 ILE HD11 H 1 0.772 0.03 . 1 . . . . . . . . 6406 1 773 . 1 1 64 64 ILE HD12 H 1 0.772 0.03 . 1 . . . . . . . . 6406 1 774 . 1 1 64 64 ILE HD13 H 1 0.772 0.03 . 1 . . . . . . . . 6406 1 775 . 1 1 64 64 ILE C C 13 174.79 0.50 . 1 . . . . . . . . 6406 1 776 . 1 1 64 64 ILE CA C 13 59.28 0.50 . 1 . . . . . . . . 6406 1 777 . 1 1 64 64 ILE CB C 13 41.18 0.50 . 1 . . . . . . . . 6406 1 778 . 1 1 64 64 ILE CG1 C 13 27.82 0.50 . 1 . . . . . . . . 6406 1 779 . 1 1 64 64 ILE CG2 C 13 19.349 0.50 . 1 . . . . . . . . 6406 1 780 . 1 1 64 64 ILE CD1 C 13 16.10 0.50 . 1 . . . . . . . . 6406 1 781 . 1 1 64 64 ILE N N 15 123.293 0.25 . 1 . . . . . . . . 6406 1 782 . 1 1 65 65 PHE H H 1 8.868 0.03 . 1 . . . . . . . . 6406 1 783 . 1 1 65 65 PHE HA H 1 4.94 0.03 . 1 . . . . . . . . 6406 1 784 . 1 1 65 65 PHE HB2 H 1 3.049 0.03 . 2 . . . . . . . . 6406 1 785 . 1 1 65 65 PHE HB3 H 1 2.718 0.03 . 2 . . . . . . . . 6406 1 786 . 1 1 65 65 PHE HD1 H 1 6.90 0.03 . 1 . . . . . . . . 6406 1 787 . 1 1 65 65 PHE HD2 H 1 6.90 0.03 . 1 . . . . . . . . 6406 1 788 . 1 1 65 65 PHE HE1 H 1 6.682 0.03 . 1 . . . . . . . . 6406 1 789 . 1 1 65 65 PHE HE2 H 1 6.682 0.03 . 1 . . . . . . . . 6406 1 790 . 1 1 65 65 PHE C C 13 174.93 0.50 . 1 . . . . . . . . 6406 1 791 . 1 1 65 65 PHE CA C 13 57.35 0.50 . 1 . . . . . . . . 6406 1 792 . 1 1 65 65 PHE CB C 13 41.31 0.50 . 1 . . . . . . . . 6406 1 793 . 1 1 65 65 PHE CD1 C 13 131.88 0.50 . 1 . . . . . . . . 6406 1 794 . 1 1 65 65 PHE CD2 C 13 131.88 0.50 . 1 . . . . . . . . 6406 1 795 . 1 1 65 65 PHE CE1 C 13 130.656 0.50 . 1 . . . . . . . . 6406 1 796 . 1 1 65 65 PHE CE2 C 13 130.656 0.50 . 1 . . . . . . . . 6406 1 797 . 1 1 65 65 PHE N N 15 124.133 0.25 . 1 . . . . . . . . 6406 1 798 . 1 1 66 66 PHE H H 1 8.689 0.03 . 1 . . . . . . . . 6406 1 799 . 1 1 66 66 PHE HA H 1 4.906 0.03 . 1 . . . . . . . . 6406 1 800 . 1 1 66 66 PHE HB2 H 1 2.687 0.03 . 2 . . . . . . . . 6406 1 801 . 1 1 66 66 PHE HB3 H 1 3.267 0.03 . 2 . . . . . . . . 6406 1 802 . 1 1 66 66 PHE HD1 H 1 7.15 0.03 . 1 . . . . . . . . 6406 1 803 . 1 1 66 66 PHE HD2 H 1 7.15 0.03 . 1 . . . . . . . . 6406 1 804 . 1 1 66 66 PHE C C 13 173.49 0.50 . 1 . . . . . . . . 6406 1 805 . 1 1 66 66 PHE CA C 13 57.13 0.50 . 1 . . . . . . . . 6406 1 806 . 1 1 66 66 PHE CB C 13 43.82 0.50 . 1 . . . . . . . . 6406 1 807 . 1 1 66 66 PHE CD1 C 13 131.13 0.50 . 1 . . . . . . . . 6406 1 808 . 1 1 66 66 PHE CD2 C 13 131.13 0.50 . 1 . . . . . . . . 6406 1 809 . 1 1 66 66 PHE N N 15 124.848 0.25 . 1 . . . . . . . . 6406 1 810 . 1 1 67 67 ASN H H 1 8.506 0.03 . 1 . . . . . . . . 6406 1 811 . 1 1 67 67 ASN HA H 1 4.724 0.03 . 1 . . . . . . . . 6406 1 812 . 1 1 67 67 ASN HB2 H 1 2.512 0.03 . 2 . . . . . . . . 6406 1 813 . 1 1 67 67 ASN HB3 H 1 2.972 0.03 . 2 . . . . . . . . 6406 1 814 . 1 1 67 67 ASN HD21 H 1 7.532 0.03 . 1 . . . . . . . . 6406 1 815 . 1 1 67 67 ASN HD22 H 1 6.746 0.03 . 1 . . . . . . . . 6406 1 816 . 1 1 67 67 ASN C C 13 173.62 0.50 . 1 . . . . . . . . 6406 1 817 . 1 1 67 67 ASN CA C 13 51.17 0.50 . 1 . . . . . . . . 6406 1 818 . 1 1 67 67 ASN CB C 13 39.01 0.50 . 1 . . . . . . . . 6406 1 819 . 1 1 67 67 ASN N N 15 127.997 0.25 . 1 . . . . . . . . 6406 1 820 . 1 1 67 67 ASN ND2 N 15 111.551 0.25 . 1 . . . . . . . . 6406 1 821 . 1 1 68 68 LYS H H 1 8.373 0.03 . 1 . . . . . . . . 6406 1 822 . 1 1 68 68 LYS HA H 1 3.849 0.03 . 1 . . . . . . . . 6406 1 823 . 1 1 68 68 LYS HB2 H 1 1.856 0.03 . 2 . . . . . . . . 6406 1 824 . 1 1 68 68 LYS HB3 H 1 1.987 0.03 . 2 . . . . . . . . 6406 1 825 . 1 1 68 68 LYS HG2 H 1 1.651 0.03 . 2 . . . . . . . . 6406 1 826 . 1 1 68 68 LYS HG3 H 1 1.562 0.03 . 2 . . . . . . . . 6406 1 827 . 1 1 68 68 LYS HD2 H 1 1.94 0.03 . 1 . . . . . . . . 6406 1 828 . 1 1 68 68 LYS HD3 H 1 1.94 0.03 . 1 . . . . . . . . 6406 1 829 . 1 1 68 68 LYS HE2 H 1 3.211 0.03 . 1 . . . . . . . . 6406 1 830 . 1 1 68 68 LYS HE3 H 1 3.211 0.03 . 1 . . . . . . . . 6406 1 831 . 1 1 68 68 LYS C C 13 178.89 0.50 . 1 . . . . . . . . 6406 1 832 . 1 1 68 68 LYS CA C 13 59.36 0.50 . 1 . . . . . . . . 6406 1 833 . 1 1 68 68 LYS CB C 13 33.33 0.50 . 1 . . . . . . . . 6406 1 834 . 1 1 68 68 LYS CG C 13 25.165 0.50 . 1 . . . . . . . . 6406 1 835 . 1 1 68 68 LYS CD C 13 29.927 0.50 . 1 . . . . . . . . 6406 1 836 . 1 1 68 68 LYS CE C 13 42.44 0.50 . 1 . . . . . . . . 6406 1 837 . 1 1 68 68 LYS N N 15 125.384 0.25 . 1 . . . . . . . . 6406 1 838 . 1 1 69 69 ARG H H 1 8.191 0.03 . 1 . . . . . . . . 6406 1 839 . 1 1 69 69 ARG HA H 1 4.011 0.03 . 1 . . . . . . . . 6406 1 840 . 1 1 69 69 ARG HB2 H 1 1.915 0.03 . 1 . . . . . . . . 6406 1 841 . 1 1 69 69 ARG HB3 H 1 1.915 0.03 . 1 . . . . . . . . 6406 1 842 . 1 1 69 69 ARG HG2 H 1 1.734 0.03 . 2 . . . . . . . . 6406 1 843 . 1 1 69 69 ARG HG3 H 1 1.64 0.03 . 2 . . . . . . . . 6406 1 844 . 1 1 69 69 ARG HD2 H 1 3.25 0.03 . 1 . . . . . . . . 6406 1 845 . 1 1 69 69 ARG HD3 H 1 3.25 0.03 . 1 . . . . . . . . 6406 1 846 . 1 1 69 69 ARG C C 13 178.22 0.50 . 1 . . . . . . . . 6406 1 847 . 1 1 69 69 ARG CA C 13 59.19 0.50 . 1 . . . . . . . . 6406 1 848 . 1 1 69 69 ARG CB C 13 30.07 0.50 . 1 . . . . . . . . 6406 1 849 . 1 1 69 69 ARG CG C 13 27.564 0.50 . 1 . . . . . . . . 6406 1 850 . 1 1 69 69 ARG CD C 13 42.321 0.50 . 1 . . . . . . . . 6406 1 851 . 1 1 69 69 ARG N N 15 117.814 0.25 . 1 . . . . . . . . 6406 1 852 . 1 1 70 70 GLU H H 1 7.141 0.03 . 1 . . . . . . . . 6406 1 853 . 1 1 70 70 GLU HA H 1 4.191 0.03 . 1 . . . . . . . . 6406 1 854 . 1 1 70 70 GLU HB2 H 1 1.332 0.03 . 2 . . . . . . . . 6406 1 855 . 1 1 70 70 GLU HB3 H 1 2.170 0.03 . 2 . . . . . . . . 6406 1 856 . 1 1 70 70 GLU HG2 H 1 2.16 0.03 . 2 . . . . . . . . 6406 1 857 . 1 1 70 70 GLU HG3 H 1 2.10 0.03 . 2 . . . . . . . . 6406 1 858 . 1 1 70 70 GLU C C 13 174.17 0.50 . 1 . . . . . . . . 6406 1 859 . 1 1 70 70 GLU CA C 13 55.49 0.50 . 1 . . . . . . . . 6406 1 860 . 1 1 70 70 GLU CB C 13 30.70 0.50 . 1 . . . . . . . . 6406 1 861 . 1 1 70 70 GLU CG C 13 36.991 0.50 . 1 . . . . . . . . 6406 1 862 . 1 1 70 70 GLU N N 15 114.178 0.25 . 1 . . . . . . . . 6406 1 863 . 1 1 71 71 LYS H H 1 7.689 0.03 . 1 . . . . . . . . 6406 1 864 . 1 1 71 71 LYS HA H 1 3.367 0.03 . 1 . . . . . . . . 6406 1 865 . 1 1 71 71 LYS HB2 H 1 0.307 0.03 . 1 . . . . . . . . 6406 1 866 . 1 1 71 71 LYS HB3 H 1 1.599 0.03 . 1 . . . . . . . . 6406 1 867 . 1 1 71 71 LYS HG2 H 1 1.15 0.03 . 1 . . . . . . . . 6406 1 868 . 1 1 71 71 LYS HG3 H 1 1.15 0.03 . 1 . . . . . . . . 6406 1 869 . 1 1 71 71 LYS HD2 H 1 1.45 0.03 . 2 . . . . . . . . 6406 1 870 . 1 1 71 71 LYS HD3 H 1 1.32 0.03 . 2 . . . . . . . . 6406 1 871 . 1 1 71 71 LYS HE2 H 1 2.91 0.03 . 1 . . . . . . . . 6406 1 872 . 1 1 71 71 LYS HE3 H 1 2.91 0.03 . 1 . . . . . . . . 6406 1 873 . 1 1 71 71 LYS C C 13 174.01 0.50 . 1 . . . . . . . . 6406 1 874 . 1 1 71 71 LYS CA C 13 57.92 0.50 . 1 . . . . . . . . 6406 1 875 . 1 1 71 71 LYS CB C 13 28.03 0.50 . 1 . . . . . . . . 6406 1 876 . 1 1 71 71 LYS CG C 13 24.999 0.50 . 1 . . . . . . . . 6406 1 877 . 1 1 71 71 LYS CD C 13 29.634 0.50 . 1 . . . . . . . . 6406 1 878 . 1 1 71 71 LYS CE C 13 41.77 0.50 . 1 . . . . . . . . 6406 1 879 . 1 1 71 71 LYS N N 15 118.601 0.25 . 1 . . . . . . . . 6406 1 880 . 1 1 72 72 LYS H H 1 7.518 0.03 . 1 . . . . . . . . 6406 1 881 . 1 1 72 72 LYS HA H 1 5.127 0.03 . 1 . . . . . . . . 6406 1 882 . 1 1 72 72 LYS HB2 H 1 1.571 0.03 . 2 . . . . . . . . 6406 1 883 . 1 1 72 72 LYS HB3 H 1 1.776 0.03 . 2 . . . . . . . . 6406 1 884 . 1 1 72 72 LYS HG2 H 1 1.383 0.03 . 2 . . . . . . . . 6406 1 885 . 1 1 72 72 LYS HG3 H 1 1.242 0.03 . 2 . . . . . . . . 6406 1 886 . 1 1 72 72 LYS HD2 H 1 1.578 0.03 . 1 . . . . . . . . 6406 1 887 . 1 1 72 72 LYS HD3 H 1 1.578 0.03 . 1 . . . . . . . . 6406 1 888 . 1 1 72 72 LYS HE2 H 1 2.863 0.03 . 1 . . . . . . . . 6406 1 889 . 1 1 72 72 LYS HE3 H 1 2.863 0.03 . 1 . . . . . . . . 6406 1 890 . 1 1 72 72 LYS C C 13 173.81 0.50 . 1 . . . . . . . . 6406 1 891 . 1 1 72 72 LYS CA C 13 54.93 0.50 . 1 . . . . . . . . 6406 1 892 . 1 1 72 72 LYS CB C 13 37.58 0.50 . 1 . . . . . . . . 6406 1 893 . 1 1 72 72 LYS CG C 13 24.852 0.50 . 1 . . . . . . . . 6406 1 894 . 1 1 72 72 LYS CD C 13 29.689 0.50 . 1 . . . . . . . . 6406 1 895 . 1 1 72 72 LYS CE C 13 42.0 0.50 . 1 . . . . . . . . 6406 1 896 . 1 1 72 72 LYS N N 15 113.809 0.25 . 1 . . . . . . . . 6406 1 897 . 1 1 73 73 LEU H H 1 9.438 0.03 . 1 . . . . . . . . 6406 1 898 . 1 1 73 73 LEU HA H 1 5.448 0.03 . 1 . . . . . . . . 6406 1 899 . 1 1 73 73 LEU HB2 H 1 1.904 0.03 . 1 . . . . . . . . 6406 1 900 . 1 1 73 73 LEU HB3 H 1 1.904 0.03 . 1 . . . . . . . . 6406 1 901 . 1 1 73 73 LEU HG H 1 0.902 0.03 . 1 . . . . . . . . 6406 1 902 . 1 1 73 73 LEU HD11 H 1 0.706 0.03 . 2 . . . . . . . . 6406 1 903 . 1 1 73 73 LEU HD12 H 1 0.706 0.03 . 2 . . . . . . . . 6406 1 904 . 1 1 73 73 LEU HD13 H 1 0.706 0.03 . 2 . . . . . . . . 6406 1 905 . 1 1 73 73 LEU HD21 H 1 0.915 0.03 . 2 . . . . . . . . 6406 1 906 . 1 1 73 73 LEU HD22 H 1 0.915 0.03 . 2 . . . . . . . . 6406 1 907 . 1 1 73 73 LEU HD23 H 1 0.915 0.03 . 2 . . . . . . . . 6406 1 908 . 1 1 73 73 LEU C C 13 175.57 0.50 . 1 . . . . . . . . 6406 1 909 . 1 1 73 73 LEU CA C 13 55.01 0.50 . 1 . . . . . . . . 6406 1 910 . 1 1 73 73 LEU CB C 13 45.88 0.50 . 1 . . . . . . . . 6406 1 911 . 1 1 73 73 LEU CG C 13 26.39 0.50 . 1 . . . . . . . . 6406 1 912 . 1 1 73 73 LEU CD1 C 13 26.482 0.50 . 2 . . . . . . . . 6406 1 913 . 1 1 73 73 LEU CD2 C 13 28.245 0.50 . 2 . . . . . . . . 6406 1 914 . 1 1 73 73 LEU N N 15 119.415 0.25 . 1 . . . . . . . . 6406 1 915 . 1 1 74 74 SER H H 1 9.071 0.03 . 1 . . . . . . . . 6406 1 916 . 1 1 74 74 SER HA H 1 5.755 0.03 . 1 . . . . . . . . 6406 1 917 . 1 1 74 74 SER HB2 H 1 3.717 0.03 . 2 . . . . . . . . 6406 1 918 . 1 1 74 74 SER HB3 H 1 3.994 0.03 . 2 . . . . . . . . 6406 1 919 . 1 1 74 74 SER C C 13 171.78 0.50 . 1 . . . . . . . . 6406 1 920 . 1 1 74 74 SER CA C 13 57.15 0.50 . 1 . . . . . . . . 6406 1 921 . 1 1 74 74 SER CB C 13 66.72 0.50 . 1 . . . . . . . . 6406 1 922 . 1 1 74 74 SER N N 15 114.375 0.25 . 1 . . . . . . . . 6406 1 923 . 1 1 75 75 LEU H H 1 9.053 0.03 . 1 . . . . . . . . 6406 1 924 . 1 1 75 75 LEU HA H 1 4.825 0.03 . 1 . . . . . . . . 6406 1 925 . 1 1 75 75 LEU HB2 H 1 -0.896 0.03 . 2 . . . . . . . . 6406 1 926 . 1 1 75 75 LEU HB3 H 1 0.726 0.03 . 2 . . . . . . . . 6406 1 927 . 1 1 75 75 LEU HG H 1 0.91 0.03 . 1 . . . . . . . . 6406 1 928 . 1 1 75 75 LEU HD11 H 1 0.36 0.03 . 2 . . . . . . . . 6406 1 929 . 1 1 75 75 LEU HD12 H 1 0.36 0.03 . 2 . . . . . . . . 6406 1 930 . 1 1 75 75 LEU HD13 H 1 0.36 0.03 . 2 . . . . . . . . 6406 1 931 . 1 1 75 75 LEU HD21 H 1 0.21 0.03 . 2 . . . . . . . . 6406 1 932 . 1 1 75 75 LEU HD22 H 1 0.21 0.03 . 2 . . . . . . . . 6406 1 933 . 1 1 75 75 LEU HD23 H 1 0.21 0.03 . 2 . . . . . . . . 6406 1 934 . 1 1 75 75 LEU C C 13 174.49 0.50 . 1 . . . . . . . . 6406 1 935 . 1 1 75 75 LEU CA C 13 53.07 0.50 . 1 . . . . . . . . 6406 1 936 . 1 1 75 75 LEU CB C 13 42.53 0.50 . 1 . . . . . . . . 6406 1 937 . 1 1 75 75 LEU CG C 13 27.03 0.50 . 1 . . . . . . . . 6406 1 938 . 1 1 75 75 LEU CD1 C 13 23.65 0.50 . 2 . . . . . . . . 6406 1 939 . 1 1 75 75 LEU CD2 C 13 26.404 0.50 . 2 . . . . . . . . 6406 1 940 . 1 1 75 75 LEU N N 15 126.222 0.25 . 1 . . . . . . . . 6406 1 941 . 1 1 76 76 HIS H H 1 9.801 0.03 . 1 . . . . . . . . 6406 1 942 . 1 1 76 76 HIS HA H 1 5.454 0.03 . 1 . . . . . . . . 6406 1 943 . 1 1 76 76 HIS HB2 H 1 2.635 0.03 . 2 . . . . . . . . 6406 1 944 . 1 1 76 76 HIS HB3 H 1 3.136 0.03 . 2 . . . . . . . . 6406 1 945 . 1 1 76 76 HIS HD2 H 1 6.80 0.03 . 2 . . . . . . . . 6406 1 946 . 1 1 76 76 HIS HE1 H 1 7.44 0.03 . 1 . . . . . . . . 6406 1 947 . 1 1 76 76 HIS C C 13 174.96 0.50 . 1 . . . . . . . . 6406 1 948 . 1 1 76 76 HIS CA C 13 53.99 0.50 . 1 . . . . . . . . 6406 1 949 . 1 1 76 76 HIS CB C 13 32.47 0.50 . 1 . . . . . . . . 6406 1 950 . 1 1 76 76 HIS CD2 C 13 118.03 0.50 . 2 . . . . . . . . 6406 1 951 . 1 1 76 76 HIS CE1 C 13 136.98 0.50 . 2 . . . . . . . . 6406 1 952 . 1 1 76 76 HIS N N 15 126.588 0.25 . 1 . . . . . . . . 6406 1 953 . 1 1 77 77 ILE H H 1 9.104 0.03 . 1 . . . . . . . . 6406 1 954 . 1 1 77 77 ILE HA H 1 4.079 0.03 . 1 . . . . . . . . 6406 1 955 . 1 1 77 77 ILE HB H 1 1.634 0.03 . 1 . . . . . . . . 6406 1 956 . 1 1 77 77 ILE HG12 H 1 1.21 0.03 . 1 . . . . . . . . 6406 1 957 . 1 1 77 77 ILE HG13 H 1 1.21 0.03 . 1 . . . . . . . . 6406 1 958 . 1 1 77 77 ILE HG21 H 1 0.40 0.03 . 1 . . . . . . . . 6406 1 959 . 1 1 77 77 ILE HG22 H 1 0.40 0.03 . 1 . . . . . . . . 6406 1 960 . 1 1 77 77 ILE HG23 H 1 0.40 0.03 . 1 . . . . . . . . 6406 1 961 . 1 1 77 77 ILE HD11 H 1 0.31 0.03 . 1 . . . . . . . . 6406 1 962 . 1 1 77 77 ILE HD12 H 1 0.31 0.03 . 1 . . . . . . . . 6406 1 963 . 1 1 77 77 ILE HD13 H 1 0.31 0.03 . 1 . . . . . . . . 6406 1 964 . 1 1 77 77 ILE C C 13 174.78 0.50 . 1 . . . . . . . . 6406 1 965 . 1 1 77 77 ILE CA C 13 60.62 0.50 . 1 . . . . . . . . 6406 1 966 . 1 1 77 77 ILE CB C 13 38.80 0.50 . 1 . . . . . . . . 6406 1 967 . 1 1 77 77 ILE CG1 C 13 25.775 0.50 . 1 . . . . . . . . 6406 1 968 . 1 1 77 77 ILE CG2 C 13 16.346 0.50 . 1 . . . . . . . . 6406 1 969 . 1 1 77 77 ILE CD1 C 13 13.66 0.50 . 1 . . . . . . . . 6406 1 970 . 1 1 77 77 ILE N N 15 124.461 0.25 . 1 . . . . . . . . 6406 1 971 . 1 1 78 78 ALA H H 1 8.648 0.03 . 1 . . . . . . . . 6406 1 972 . 1 1 78 78 ALA HA H 1 4.381 0.03 . 1 . . . . . . . . 6406 1 973 . 1 1 78 78 ALA HB1 H 1 1.282 0.03 . 1 . . . . . . . . 6406 1 974 . 1 1 78 78 ALA HB2 H 1 1.282 0.03 . 1 . . . . . . . . 6406 1 975 . 1 1 78 78 ALA HB3 H 1 1.282 0.03 . 1 . . . . . . . . 6406 1 976 . 1 1 78 78 ALA C C 13 176.62 0.50 . 1 . . . . . . . . 6406 1 977 . 1 1 78 78 ALA CA C 13 51.34 0.50 . 1 . . . . . . . . 6406 1 978 . 1 1 78 78 ALA CB C 13 20.04 0.50 . 1 . . . . . . . . 6406 1 979 . 1 1 78 78 ALA N N 15 126.843 0.25 . 1 . . . . . . . . 6406 1 980 . 1 1 79 79 ASP H H 1 8.547 0.03 . 1 . . . . . . . . 6406 1 981 . 1 1 79 79 ASP HA H 1 3.989 0.03 . 1 . . . . . . . . 6406 1 982 . 1 1 79 79 ASP HB2 H 1 2.285 0.03 . 2 . . . . . . . . 6406 1 983 . 1 1 79 79 ASP HB3 H 1 2.794 0.03 . 2 . . . . . . . . 6406 1 984 . 1 1 79 79 ASP C C 13 176.05 0.50 . 1 . . . . . . . . 6406 1 985 . 1 1 79 79 ASP CA C 13 54.02 0.50 . 1 . . . . . . . . 6406 1 986 . 1 1 79 79 ASP CB C 13 39.93 0.50 . 1 . . . . . . . . 6406 1 987 . 1 1 79 79 ASP CG C 13 170.72 0.50 . 1 . . . . . . . . 6406 1 988 . 1 1 79 79 ASP N N 15 117.124 0.25 . 1 . . . . . . . . 6406 1 989 . 1 1 80 80 SER H H 1 7.412 0.03 . 1 . . . . . . . . 6406 1 990 . 1 1 80 80 SER HA H 1 3.809 0.03 . 1 . . . . . . . . 6406 1 991 . 1 1 80 80 SER HB2 H 1 3.73 0.03 . 1 . . . . . . . . 6406 1 992 . 1 1 80 80 SER HB3 H 1 3.73 0.03 . 1 . . . . . . . . 6406 1 993 . 1 1 80 80 SER C C 13 174.28 0.50 . 1 . . . . . . . . 6406 1 994 . 1 1 80 80 SER CA C 13 61.85 0.50 . 1 . . . . . . . . 6406 1 995 . 1 1 80 80 SER CB C 13 64.34 0.50 . 1 . . . . . . . . 6406 1 996 . 1 1 80 80 SER N N 15 110.913 0.25 . 1 . . . . . . . . 6406 1 997 . 1 1 81 81 GLN H H 1 9.373 0.03 . 1 . . . . . . . . 6406 1 998 . 1 1 81 81 GLN HA H 1 4.875 0.03 . 1 . . . . . . . . 6406 1 999 . 1 1 81 81 GLN HB2 H 1 1.78 0.03 . 2 . . . . . . . . 6406 1 1000 . 1 1 81 81 GLN HB3 H 1 2.26 0.03 . 2 . . . . . . . . 6406 1 1001 . 1 1 81 81 GLN HG2 H 1 2.48 0.03 . 2 . . . . . . . . 6406 1 1002 . 1 1 81 81 GLN HG3 H 1 2.67 0.03 . 2 . . . . . . . . 6406 1 1003 . 1 1 81 81 GLN HE21 H 1 7.722 0.03 . 1 . . . . . . . . 6406 1 1004 . 1 1 81 81 GLN HE22 H 1 6.55 0.03 . 1 . . . . . . . . 6406 1 1005 . 1 1 81 81 GLN C C 13 175.069 0.50 . 1 . . . . . . . . 6406 1 1006 . 1 1 81 81 GLN CA C 13 52.35 0.50 . 1 . . . . . . . . 6406 1 1007 . 1 1 81 81 GLN CB C 13 30.80 0.50 . 1 . . . . . . . . 6406 1 1008 . 1 1 81 81 GLN CG C 13 32.7 0.50 . 1 . . . . . . . . 6406 1 1009 . 1 1 81 81 GLN N N 15 120.992 0.25 . 1 . . . . . . . . 6406 1 1010 . 1 1 81 81 GLN NE2 N 15 109.211 0.25 . 1 . . . . . . . . 6406 1 1011 . 1 1 82 82 PRO HA H 1 4.463 0.03 . 1 . . . . . . . . 6406 1 1012 . 1 1 82 82 PRO HB2 H 1 1.989 0.03 . 2 . . . . . . . . 6406 1 1013 . 1 1 82 82 PRO HB3 H 1 2.492 0.03 . 2 . . . . . . . . 6406 1 1014 . 1 1 82 82 PRO HG2 H 1 2.35 0.03 . 1 . . . . . . . . 6406 1 1015 . 1 1 82 82 PRO HG3 H 1 2.35 0.03 . 1 . . . . . . . . 6406 1 1016 . 1 1 82 82 PRO HD2 H 1 3.78 0.03 . 2 . . . . . . . . 6406 1 1017 . 1 1 82 82 PRO HD3 H 1 3.61 0.03 . 2 . . . . . . . . 6406 1 1018 . 1 1 82 82 PRO C C 13 179.27 0.50 . 1 . . . . . . . . 6406 1 1019 . 1 1 82 82 PRO CA C 13 66.34 0.50 . 1 . . . . . . . . 6406 1 1020 . 1 1 82 82 PRO CB C 13 31.99 0.50 . 1 . . . . . . . . 6406 1 1021 . 1 1 82 82 PRO CG C 13 28.549 0.50 . 1 . . . . . . . . 6406 1 1022 . 1 1 82 82 PRO CD C 13 50.52 0.50 . 1 . . . . . . . . 6406 1 1023 . 1 1 83 83 GLY H H 1 8.603 0.03 . 1 . . . . . . . . 6406 1 1024 . 1 1 83 83 GLY HA2 H 1 3.865 0.03 . 2 . . . . . . . . 6406 1 1025 . 1 1 83 83 GLY HA3 H 1 4.224 0.03 . 2 . . . . . . . . 6406 1 1026 . 1 1 83 83 GLY C C 13 174.41 0.50 . 1 . . . . . . . . 6406 1 1027 . 1 1 83 83 GLY CA C 13 46.37 0.50 . 1 . . . . . . . . 6406 1 1028 . 1 1 83 83 GLY N N 15 104.027 0.25 . 1 . . . . . . . . 6406 1 1029 . 1 1 84 84 ASP H H 1 8.695 0.03 . 1 . . . . . . . . 6406 1 1030 . 1 1 84 84 ASP HA H 1 4.894 0.03 . 1 . . . . . . . . 6406 1 1031 . 1 1 84 84 ASP HB2 H 1 3.05 0.03 . 2 . . . . . . . . 6406 1 1032 . 1 1 84 84 ASP HB3 H 1 2.99 0.03 . 2 . . . . . . . . 6406 1 1033 . 1 1 84 84 ASP C C 13 177.89 0.50 . 1 . . . . . . . . 6406 1 1034 . 1 1 84 84 ASP CA C 13 54.68 0.50 . 1 . . . . . . . . 6406 1 1035 . 1 1 84 84 ASP CB C 13 41.34 0.50 . 1 . . . . . . . . 6406 1 1036 . 1 1 84 84 ASP CG C 13 179.729 0.50 . 1 . . . . . . . . 6406 1 1037 . 1 1 84 84 ASP N N 15 117.953 0.25 . 1 . . . . . . . . 6406 1 1038 . 1 1 85 85 SER H H 1 8.073 0.03 . 1 . . . . . . . . 6406 1 1039 . 1 1 85 85 SER HA H 1 4.484 0.03 . 1 . . . . . . . . 6406 1 1040 . 1 1 85 85 SER HB2 H 1 4.248 0.03 . 1 . . . . . . . . 6406 1 1041 . 1 1 85 85 SER HB3 H 1 4.248 0.03 . 1 . . . . . . . . 6406 1 1042 . 1 1 85 85 SER C C 13 172.84 0.50 . 1 . . . . . . . . 6406 1 1043 . 1 1 85 85 SER CA C 13 61.40 0.50 . 1 . . . . . . . . 6406 1 1044 . 1 1 85 85 SER CB C 13 63.40 0.50 . 1 . . . . . . . . 6406 1 1045 . 1 1 85 85 SER N N 15 117.975 0.25 . 1 . . . . . . . . 6406 1 1046 . 1 1 86 86 ALA H H 1 8.578 0.03 . 1 . . . . . . . . 6406 1 1047 . 1 1 86 86 ALA HA H 1 4.409 0.25 . 1 . . . . . . . . 6406 1 1048 . 1 1 86 86 ALA HB1 H 1 0.729 0.25 . 1 . . . . . . . . 6406 1 1049 . 1 1 86 86 ALA HB2 H 1 0.729 0.25 . 1 . . . . . . . . 6406 1 1050 . 1 1 86 86 ALA HB3 H 1 0.729 0.25 . 1 . . . . . . . . 6406 1 1051 . 1 1 86 86 ALA C C 13 175.71 0.50 . 1 . . . . . . . . 6406 1 1052 . 1 1 86 86 ALA CA C 13 51.86 0.50 . 1 . . . . . . . . 6406 1 1053 . 1 1 86 86 ALA CB C 13 19.91 0.50 . 1 . . . . . . . . 6406 1 1054 . 1 1 86 86 ALA N N 15 127.055 0.25 . 1 . . . . . . . . 6406 1 1055 . 1 1 87 87 THR H H 1 7.958 0.03 . 1 . . . . . . . . 6406 1 1056 . 1 1 87 87 THR HA H 1 4.997 0.03 . 1 . . . . . . . . 6406 1 1057 . 1 1 87 87 THR HB H 1 3.856 0.03 . 1 . . . . . . . . 6406 1 1058 . 1 1 87 87 THR HG21 H 1 0.536 0.03 . 1 . . . . . . . . 6406 1 1059 . 1 1 87 87 THR HG22 H 1 0.536 0.03 . 1 . . . . . . . . 6406 1 1060 . 1 1 87 87 THR HG23 H 1 0.536 0.03 . 1 . . . . . . . . 6406 1 1061 . 1 1 87 87 THR C C 13 172.88 0.50 . 1 . . . . . . . . 6406 1 1062 . 1 1 87 87 THR CA C 13 62.79 0.50 . 1 . . . . . . . . 6406 1 1063 . 1 1 87 87 THR CB C 13 69.08 0.50 . 1 . . . . . . . . 6406 1 1064 . 1 1 87 87 THR CG2 C 13 22.539 0.50 . 1 . . . . . . . . 6406 1 1065 . 1 1 87 87 THR N N 15 114.601 0.25 . 1 . . . . . . . . 6406 1 1066 . 1 1 88 88 TYR H H 1 8.972 0.03 . 1 . . . . . . . . 6406 1 1067 . 1 1 88 88 TYR HA H 1 5.369 0.03 . 1 . . . . . . . . 6406 1 1068 . 1 1 88 88 TYR HB2 H 1 2.87 0.03 . 1 . . . . . . . . 6406 1 1069 . 1 1 88 88 TYR HB3 H 1 2.87 0.03 . 1 . . . . . . . . 6406 1 1070 . 1 1 88 88 TYR C C 13 176.29 0.50 . 1 . . . . . . . . 6406 1 1071 . 1 1 88 88 TYR CA C 13 56.59 0.50 . 1 . . . . . . . . 6406 1 1072 . 1 1 88 88 TYR CB C 13 41.88 0.50 . 1 . . . . . . . . 6406 1 1073 . 1 1 88 88 TYR N N 15 124.909 0.25 . 1 . . . . . . . . 6406 1 1074 . 1 1 89 89 PHE H H 1 9.909 0.03 . 1 . . . . . . . . 6406 1 1075 . 1 1 89 89 PHE HA H 1 5.064 0.03 . 1 . . . . . . . . 6406 1 1076 . 1 1 89 89 PHE HB2 H 1 2.882 0.03 . 2 . . . . . . . . 6406 1 1077 . 1 1 89 89 PHE HB3 H 1 3.060 0.03 . 2 . . . . . . . . 6406 1 1078 . 1 1 89 89 PHE C C 13 173.06 0.50 . 1 . . . . . . . . 6406 1 1079 . 1 1 89 89 PHE CA C 13 57.59 0.50 . 1 . . . . . . . . 6406 1 1080 . 1 1 89 89 PHE CB C 13 43.25 0.50 . 1 . . . . . . . . 6406 1 1081 . 1 1 89 89 PHE N N 15 122.566 0.25 . 1 . . . . . . . . 6406 1 1082 . 1 1 90 90 CYS H H 1 7.513 0.03 . 1 . . . . . . . . 6406 1 1083 . 1 1 90 90 CYS HA H 1 3.208 0.03 . 1 . . . . . . . . 6406 1 1084 . 1 1 90 90 CYS HB2 H 1 1.805 0.03 . 1 . . . . . . . . 6406 1 1085 . 1 1 90 90 CYS HB3 H 1 1.805 0.03 . 1 . . . . . . . . 6406 1 1086 . 1 1 90 90 CYS C C 13 170.20 0.50 . 1 . . . . . . . . 6406 1 1087 . 1 1 90 90 CYS CA C 13 52.81 0.50 . 1 . . . . . . . . 6406 1 1088 . 1 1 90 90 CYS CB C 13 44.02 0.50 . 1 . . . . . . . . 6406 1 1089 . 1 1 90 90 CYS N N 15 120.707 0.25 . 1 . . . . . . . . 6406 1 1090 . 1 1 91 91 ALA H H 1 7.644 0.03 . 1 . . . . . . . . 6406 1 1091 . 1 1 91 91 ALA HA H 1 4.913 0.03 . 1 . . . . . . . . 6406 1 1092 . 1 1 91 91 ALA HB1 H 1 0.2360 0.03 . 1 . . . . . . . . 6406 1 1093 . 1 1 91 91 ALA HB2 H 1 0.2360 0.03 . 1 . . . . . . . . 6406 1 1094 . 1 1 91 91 ALA HB3 H 1 0.2360 0.03 . 1 . . . . . . . . 6406 1 1095 . 1 1 91 91 ALA C C 13 173.24 0.50 . 1 . . . . . . . . 6406 1 1096 . 1 1 91 91 ALA CA C 13 49.85 0.50 . 1 . . . . . . . . 6406 1 1097 . 1 1 91 91 ALA CB C 13 22.19 0.50 . 1 . . . . . . . . 6406 1 1098 . 1 1 91 91 ALA N N 15 128.763 0.25 . 1 . . . . . . . . 6406 1 1099 . 1 1 92 92 ALA H H 1 7.889 0.03 . 1 . . . . . . . . 6406 1 1100 . 1 1 92 92 ALA HA H 1 4.733 0.03 . 1 . . . . . . . . 6406 1 1101 . 1 1 92 92 ALA HB1 H 1 0.029 0.03 . 1 . . . . . . . . 6406 1 1102 . 1 1 92 92 ALA HB2 H 1 0.029 0.03 . 1 . . . . . . . . 6406 1 1103 . 1 1 92 92 ALA HB3 H 1 0.029 0.03 . 1 . . . . . . . . 6406 1 1104 . 1 1 92 92 ALA C C 13 176.24 0.50 . 1 . . . . . . . . 6406 1 1105 . 1 1 92 92 ALA CA C 13 50.28 0.50 . 1 . . . . . . . . 6406 1 1106 . 1 1 92 92 ALA CB C 13 24.60 0.50 . 1 . . . . . . . . 6406 1 1107 . 1 1 92 92 ALA N N 15 115.066 0.25 . 1 . . . . . . . . 6406 1 1108 . 1 1 93 93 SER H H 1 7.966 0.03 . 1 . . . . . . . . 6406 1 1109 . 1 1 93 93 SER HA H 1 4.369 0.03 . 1 . . . . . . . . 6406 1 1110 . 1 1 93 93 SER HB2 H 1 3.77 0.03 . 2 . . . . . . . . 6406 1 1111 . 1 1 93 93 SER HB3 H 1 3.536 0.03 . 2 . . . . . . . . 6406 1 1112 . 1 1 93 93 SER C C 13 174.15 0.50 . 1 . . . . . . . . 6406 1 1113 . 1 1 93 93 SER CA C 13 56.62 0.50 . 1 . . . . . . . . 6406 1 1114 . 1 1 93 93 SER CB C 13 66.44 0.50 . 1 . . . . . . . . 6406 1 1115 . 1 1 93 93 SER N N 15 109.244 0.25 . 1 . . . . . . . . 6406 1 1116 . 1 1 94 94 ALA H H 1 8.940 0.03 . 1 . . . . . . . . 6406 1 1117 . 1 1 94 94 ALA HA H 1 4.847 0.03 . 1 . . . . . . . . 6406 1 1118 . 1 1 94 94 ALA HB1 H 1 1.412 0.03 . 1 . . . . . . . . 6406 1 1119 . 1 1 94 94 ALA HB2 H 1 1.412 0.03 . 1 . . . . . . . . 6406 1 1120 . 1 1 94 94 ALA HB3 H 1 1.412 0.03 . 1 . . . . . . . . 6406 1 1121 . 1 1 94 94 ALA C C 13 177.06 0.50 . 1 . . . . . . . . 6406 1 1122 . 1 1 94 94 ALA CA C 13 52.85 0.50 . 1 . . . . . . . . 6406 1 1123 . 1 1 94 94 ALA CB C 13 19.59 0.50 . 1 . . . . . . . . 6406 1 1124 . 1 1 94 94 ALA N N 15 126.034 0.25 . 1 . . . . . . . . 6406 1 1125 . 1 1 95 95 SER H H 1 8.686 0.03 . 1 . . . . . . . . 6406 1 1126 . 1 1 95 95 SER HA H 1 4.4444 0.03 . 1 . . . . . . . . 6406 1 1127 . 1 1 95 95 SER HB2 H 1 3.738 0.03 . 1 . . . . . . . . 6406 1 1128 . 1 1 95 95 SER HB3 H 1 3.738 0.03 . 1 . . . . . . . . 6406 1 1129 . 1 1 95 95 SER C C 13 173.62 0.50 . 1 . . . . . . . . 6406 1 1130 . 1 1 95 95 SER CA C 13 58.24 0.50 . 1 . . . . . . . . 6406 1 1131 . 1 1 95 95 SER CB C 13 64.29 0.50 . 1 . . . . . . . . 6406 1 1132 . 1 1 95 95 SER N N 15 114.213 0.25 . 1 . . . . . . . . 6406 1 1133 . 1 1 96 96 PHE H H 1 8.515 0.03 . 1 . . . . . . . . 6406 1 1134 . 1 1 96 96 PHE HA H 1 4.148 0.03 . 1 . . . . . . . . 6406 1 1135 . 1 1 96 96 PHE HB2 H 1 2.67 0.03 . 2 . . . . . . . . 6406 1 1136 . 1 1 96 96 PHE HB3 H 1 2.71 0.03 . 2 . . . . . . . . 6406 1 1137 . 1 1 96 96 PHE HD1 H 1 6.77 0.03 . 1 . . . . . . . . 6406 1 1138 . 1 1 96 96 PHE HD2 H 1 6.77 0.03 . 1 . . . . . . . . 6406 1 1139 . 1 1 96 96 PHE HE1 H 1 7.21 0.03 . 1 . . . . . . . . 6406 1 1140 . 1 1 96 96 PHE HE2 H 1 7.21 0.03 . 1 . . . . . . . . 6406 1 1141 . 1 1 96 96 PHE C C 13 175.83 0.50 . 1 . . . . . . . . 6406 1 1142 . 1 1 96 96 PHE CA C 13 57.72 0.50 . 1 . . . . . . . . 6406 1 1143 . 1 1 96 96 PHE CB C 13 39.47 0.50 . 1 . . . . . . . . 6406 1 1144 . 1 1 96 96 PHE CD1 C 13 131.70 0.50 . 1 . . . . . . . . 6406 1 1145 . 1 1 96 96 PHE CD2 C 13 131.70 0.50 . 1 . . . . . . . . 6406 1 1146 . 1 1 96 96 PHE CE1 C 13 131.35 0.50 . 1 . . . . . . . . 6406 1 1147 . 1 1 96 96 PHE CE2 C 13 131.35 0.50 . 1 . . . . . . . . 6406 1 1148 . 1 1 96 96 PHE N N 15 121.917 0.25 . 1 . . . . . . . . 6406 1 1149 . 1 1 97 97 GLY H H 1 7.543 0.03 . 1 . . . . . . . . 6406 1 1150 . 1 1 97 97 GLY HA2 H 1 3.358 0.03 . 2 . . . . . . . . 6406 1 1151 . 1 1 97 97 GLY HA3 H 1 3.824 0.03 . 2 . . . . . . . . 6406 1 1152 . 1 1 97 97 GLY C C 13 173.60 0.50 . 1 . . . . . . . . 6406 1 1153 . 1 1 97 97 GLY CA C 13 45.22 0.50 . 1 . . . . . . . . 6406 1 1154 . 1 1 97 97 GLY N N 15 111.551 0.25 . 1 . . . . . . . . 6406 1 1155 . 1 1 98 98 ASP H H 1 8.003 0.03 . 1 . . . . . . . . 6406 1 1156 . 1 1 98 98 ASP HA H 1 4.59 0.03 . 1 . . . . . . . . 6406 1 1157 . 1 1 98 98 ASP HB2 H 1 2.53 0.03 . 2 . . . . . . . . 6406 1 1158 . 1 1 98 98 ASP HB3 H 1 2.71 0.03 . 2 . . . . . . . . 6406 1 1159 . 1 1 98 98 ASP CA C 13 53.981 0.50 . 1 . . . . . . . . 6406 1 1160 . 1 1 98 98 ASP CB C 13 40.897 0.50 . 1 . . . . . . . . 6406 1 1161 . 1 1 98 98 ASP N N 15 119.415 0.25 . 1 . . . . . . . . 6406 1 1162 . 1 1 99 99 ASN HA H 1 4.603 0.03 . 1 . . . . . . . . 6406 1 1163 . 1 1 99 99 ASN HB2 H 1 2.791 0.03 . 2 . . . . . . . . 6406 1 1164 . 1 1 99 99 ASN HB3 H 1 2.914 0.03 . 2 . . . . . . . . 6406 1 1165 . 1 1 99 99 ASN HD21 H 1 7.593 0.03 . 1 . . . . . . . . 6406 1 1166 . 1 1 99 99 ASN HD22 H 1 6.884 0.03 . 1 . . . . . . . . 6406 1 1167 . 1 1 99 99 ASN C C 13 175.92 0.50 . 1 . . . . . . . . 6406 1 1168 . 1 1 99 99 ASN CA C 13 54.13 0.50 . 1 . . . . . . . . 6406 1 1169 . 1 1 99 99 ASN CB C 13 38.25 0.50 . 1 . . . . . . . . 6406 1 1170 . 1 1 99 99 ASN CG C 13 177.17 0.50 . 1 . . . . . . . . 6406 1 1171 . 1 1 99 99 ASN ND2 N 15 112.564 0.25 . 1 . . . . . . . . 6406 1 1172 . 1 1 100 100 SER H H 1 8.262 0.03 . 1 . . . . . . . . 6406 1 1173 . 1 1 100 100 SER HA H 1 4.395 0.03 . 1 . . . . . . . . 6406 1 1174 . 1 1 100 100 SER HB2 H 1 3.884 0.03 . 1 . . . . . . . . 6406 1 1175 . 1 1 100 100 SER HB3 H 1 3.884 0.03 . 1 . . . . . . . . 6406 1 1176 . 1 1 100 100 SER C C 13 174.78 0.50 . 1 . . . . . . . . 6406 1 1177 . 1 1 100 100 SER CA C 13 59.68 0.50 . 1 . . . . . . . . 6406 1 1178 . 1 1 100 100 SER CB C 13 63.63 0.50 . 1 . . . . . . . . 6406 1 1179 . 1 1 100 100 SER N N 15 116.085 0.25 . 1 . . . . . . . . 6406 1 1180 . 1 1 101 101 LYS H H 1 7.805 0.03 . 1 . . . . . . . . 6406 1 1181 . 1 1 101 101 LYS HA H 1 4.408 0.03 . 1 . . . . . . . . 6406 1 1182 . 1 1 101 101 LYS HB2 H 1 1.740 0.03 . 2 . . . . . . . . 6406 1 1183 . 1 1 101 101 LYS HB3 H 1 1.981 0.03 . 2 . . . . . . . . 6406 1 1184 . 1 1 101 101 LYS HG2 H 1 1.37 0.03 . 2 . . . . . . . . 6406 1 1185 . 1 1 101 101 LYS HG3 H 1 1.43 0.03 . 2 . . . . . . . . 6406 1 1186 . 1 1 101 101 LYS HD2 H 1 1.69 0.03 . 1 . . . . . . . . 6406 1 1187 . 1 1 101 101 LYS HD3 H 1 1.69 0.03 . 1 . . . . . . . . 6406 1 1188 . 1 1 101 101 LYS HE2 H 1 3.0 0.03 . 1 . . . . . . . . 6406 1 1189 . 1 1 101 101 LYS HE3 H 1 3.0 0.03 . 1 . . . . . . . . 6406 1 1190 . 1 1 101 101 LYS C C 13 176.06 0.50 . 1 . . . . . . . . 6406 1 1191 . 1 1 101 101 LYS CA C 13 55.62 0.50 . 1 . . . . . . . . 6406 1 1192 . 1 1 101 101 LYS CB C 13 33.03 0.50 . 1 . . . . . . . . 6406 1 1193 . 1 1 101 101 LYS CG C 13 24.847 0.50 . 1 . . . . . . . . 6406 1 1194 . 1 1 101 101 LYS CD C 13 28.946 0.50 . 1 . . . . . . . . 6406 1 1195 . 1 1 101 101 LYS CE C 13 42.415 0.50 . 1 . . . . . . . . 6406 1 1196 . 1 1 101 101 LYS N N 15 122.004 0.25 . 1 . . . . . . . . 6406 1 1197 . 1 1 102 102 LEU H H 1 7.773 0.03 . 1 . . . . . . . . 6406 1 1198 . 1 1 102 102 LEU HA H 1 4.169 0.03 . 1 . . . . . . . . 6406 1 1199 . 1 1 102 102 LEU HB2 H 1 0.842 0.03 . 2 . . . . . . . . 6406 1 1200 . 1 1 102 102 LEU HB3 H 1 1.654 0.03 . 2 . . . . . . . . 6406 1 1201 . 1 1 102 102 LEU HG H 1 1.44 0.03 . 1 . . . . . . . . 6406 1 1202 . 1 1 102 102 LEU HD11 H 1 0.71 0.03 . 2 . . . . . . . . 6406 1 1203 . 1 1 102 102 LEU HD12 H 1 0.71 0.03 . 2 . . . . . . . . 6406 1 1204 . 1 1 102 102 LEU HD13 H 1 0.71 0.03 . 2 . . . . . . . . 6406 1 1205 . 1 1 102 102 LEU HD21 H 1 0.50 0.03 . 2 . . . . . . . . 6406 1 1206 . 1 1 102 102 LEU HD22 H 1 0.50 0.03 . 2 . . . . . . . . 6406 1 1207 . 1 1 102 102 LEU HD23 H 1 0.50 0.03 . 2 . . . . . . . . 6406 1 1208 . 1 1 102 102 LEU C C 13 176.15 0.50 . 1 . . . . . . . . 6406 1 1209 . 1 1 102 102 LEU CA C 13 55.28 0.50 . 1 . . . . . . . . 6406 1 1210 . 1 1 102 102 LEU CB C 13 43.800 0.50 . 1 . . . . . . . . 6406 1 1211 . 1 1 102 102 LEU CG C 13 26.937 0.50 . 1 . . . . . . . . 6406 1 1212 . 1 1 102 102 LEU CD1 C 13 25.598 0.50 . 2 . . . . . . . . 6406 1 1213 . 1 1 102 102 LEU CD2 C 13 24.133 0.50 . 2 . . . . . . . . 6406 1 1214 . 1 1 102 102 LEU N N 15 122.64 0.25 . 1 . . . . . . . . 6406 1 1215 . 1 1 103 103 ILE H H 1 8.993 0.03 . 1 . . . . . . . . 6406 1 1216 . 1 1 103 103 ILE HA H 1 4.410 0.03 . 1 . . . . . . . . 6406 1 1217 . 1 1 103 103 ILE HB H 1 1.772 0.03 . 1 . . . . . . . . 6406 1 1218 . 1 1 103 103 ILE HG12 H 1 1.58 0.03 . 1 . . . . . . . . 6406 1 1219 . 1 1 103 103 ILE HG13 H 1 1.58 0.03 . 1 . . . . . . . . 6406 1 1220 . 1 1 103 103 ILE HG21 H 1 1.07 0.03 . 1 . . . . . . . . 6406 1 1221 . 1 1 103 103 ILE HG22 H 1 1.07 0.03 . 1 . . . . . . . . 6406 1 1222 . 1 1 103 103 ILE HG23 H 1 1.07 0.03 . 1 . . . . . . . . 6406 1 1223 . 1 1 103 103 ILE HD11 H 1 0.98 0.03 . 1 . . . . . . . . 6406 1 1224 . 1 1 103 103 ILE HD12 H 1 0.98 0.03 . 1 . . . . . . . . 6406 1 1225 . 1 1 103 103 ILE HD13 H 1 0.98 0.03 . 1 . . . . . . . . 6406 1 1226 . 1 1 103 103 ILE C C 13 175.26 0.50 . 1 . . . . . . . . 6406 1 1227 . 1 1 103 103 ILE CA C 13 59.86 0.50 . 1 . . . . . . . . 6406 1 1228 . 1 1 103 103 ILE CB C 13 37.59 0.50 . 1 . . . . . . . . 6406 1 1229 . 1 1 103 103 ILE CG1 C 13 27.853 0.50 . 1 . . . . . . . . 6406 1 1230 . 1 1 103 103 ILE CG2 C 13 19.11 0.50 . 1 . . . . . . . . 6406 1 1231 . 1 1 103 103 ILE CD1 C 13 12.00 0.50 . 1 . . . . . . . . 6406 1 1232 . 1 1 103 103 ILE N N 15 125.357 0.25 . 1 . . . . . . . . 6406 1 1233 . 1 1 104 104 TRP H H 1 8.716 0.03 . 1 . . . . . . . . 6406 1 1234 . 1 1 104 104 TRP HA H 1 4.499 0.03 . 1 . . . . . . . . 6406 1 1235 . 1 1 104 104 TRP HB2 H 1 3.458 0.03 . 2 . . . . . . . . 6406 1 1236 . 1 1 104 104 TRP HB3 H 1 2.883 0.03 . 2 . . . . . . . . 6406 1 1237 . 1 1 104 104 TRP HD1 H 1 7.07 0.03 . 1 . . . . . . . . 6406 1 1238 . 1 1 104 104 TRP HE1 H 1 9.666 0.03 . 1 . . . . . . . . 6406 1 1239 . 1 1 104 104 TRP HE3 H 1 6.859 0.03 . 1 . . . . . . . . 6406 1 1240 . 1 1 104 104 TRP HZ2 H 1 6.662 0.03 . 1 . . . . . . . . 6406 1 1241 . 1 1 104 104 TRP HZ3 H 1 5.785 0.03 . 1 . . . . . . . . 6406 1 1242 . 1 1 104 104 TRP HH2 H 1 5.336 0.03 . 1 . . . . . . . . 6406 1 1243 . 1 1 104 104 TRP C C 13 178.68 0.50 . 1 . . . . . . . . 6406 1 1244 . 1 1 104 104 TRP CA C 13 57.94 0.50 . 1 . . . . . . . . 6406 1 1245 . 1 1 104 104 TRP CB C 13 30.52 0.50 . 1 . . . . . . . . 6406 1 1246 . 1 1 104 104 TRP CD1 C 13 125.55 0.50 . 1 . . . . . . . . 6406 1 1247 . 1 1 104 104 TRP CE3 C 13 118.1 0.50 . 1 . . . . . . . . 6406 1 1248 . 1 1 104 104 TRP CZ2 C 13 113.773 0.50 . 1 . . . . . . . . 6406 1 1249 . 1 1 104 104 TRP CZ3 C 13 119.431 0.50 . 1 . . . . . . . . 6406 1 1250 . 1 1 104 104 TRP CH2 C 13 123.068 0.50 . 1 . . . . . . . . 6406 1 1251 . 1 1 104 104 TRP N N 15 125.786 0.25 . 1 . . . . . . . . 6406 1 1252 . 1 1 104 104 TRP NE1 N 15 129.405 0.25 . 1 . . . . . . . . 6406 1 1253 . 1 1 105 105 GLY H H 1 9.156 0.03 . 1 . . . . . . . . 6406 1 1254 . 1 1 105 105 GLY HA2 H 1 4.213 0.03 . 2 . . . . . . . . 6406 1 1255 . 1 1 105 105 GLY HA3 H 1 4.409 0.03 . 2 . . . . . . . . 6406 1 1256 . 1 1 105 105 GLY C C 13 173.77 0.50 . 1 . . . . . . . . 6406 1 1257 . 1 1 105 105 GLY CA C 13 44.60 0.50 . 1 . . . . . . . . 6406 1 1258 . 1 1 105 105 GLY N N 15 108.998 0.25 . 1 . . . . . . . . 6406 1 1259 . 1 1 106 106 LEU H H 1 8.55 0.03 . 1 . . . . . . . . 6406 1 1260 . 1 1 106 106 LEU HA H 1 4.576 0.03 . 1 . . . . . . . . 6406 1 1261 . 1 1 106 106 LEU HB2 H 1 1.954 0.03 . 1 . . . . . . . . 6406 1 1262 . 1 1 106 106 LEU HB3 H 1 1.954 0.03 . 1 . . . . . . . . 6406 1 1263 . 1 1 106 106 LEU HG H 1 1.97 0.03 . 1 . . . . . . . . 6406 1 1264 . 1 1 106 106 LEU HD11 H 1 1.04 0.03 . 2 . . . . . . . . 6406 1 1265 . 1 1 106 106 LEU HD12 H 1 1.04 0.03 . 2 . . . . . . . . 6406 1 1266 . 1 1 106 106 LEU HD13 H 1 1.04 0.03 . 2 . . . . . . . . 6406 1 1267 . 1 1 106 106 LEU HD21 H 1 1.10 0.03 . 2 . . . . . . . . 6406 1 1268 . 1 1 106 106 LEU HD22 H 1 1.10 0.03 . 2 . . . . . . . . 6406 1 1269 . 1 1 106 106 LEU HD23 H 1 1.10 0.03 . 2 . . . . . . . . 6406 1 1270 . 1 1 106 106 LEU C C 13 178.65 0.50 . 1 . . . . . . . . 6406 1 1271 . 1 1 106 106 LEU CA C 13 55.85 0.50 . 1 . . . . . . . . 6406 1 1272 . 1 1 106 106 LEU CB C 13 42.31 0.50 . 1 . . . . . . . . 6406 1 1273 . 1 1 106 106 LEU CG C 13 27.393 0.50 . 1 . . . . . . . . 6406 1 1274 . 1 1 106 106 LEU CD1 C 13 22.939 0.50 . 2 . . . . . . . . 6406 1 1275 . 1 1 106 106 LEU CD2 C 13 25.362 0.50 . 2 . . . . . . . . 6406 1 1276 . 1 1 106 106 LEU N N 15 115.046 0.25 . 1 . . . . . . . . 6406 1 1277 . 1 1 107 107 GLY H H 1 7.52 0.03 . 1 . . . . . . . . 6406 1 1278 . 1 1 107 107 GLY HA2 H 1 3.549 0.03 . 1 . . . . . . . . 6406 1 1279 . 1 1 107 107 GLY HA3 H 1 3.549 0.03 . 1 . . . . . . . . 6406 1 1280 . 1 1 107 107 GLY C C 13 172.66 0.50 . 1 . . . . . . . . 6406 1 1281 . 1 1 107 107 GLY CA C 13 44.94 0.50 . 1 . . . . . . . . 6406 1 1282 . 1 1 107 107 GLY N N 15 106.70 0.25 . 1 . . . . . . . . 6406 1 1283 . 1 1 108 108 THR H H 1 8.179 0.03 . 1 . . . . . . . . 6406 1 1284 . 1 1 108 108 THR HA H 1 4.777 0.03 . 1 . . . . . . . . 6406 1 1285 . 1 1 108 108 THR HB H 1 3.733 0.03 . 1 . . . . . . . . 6406 1 1286 . 1 1 108 108 THR HG21 H 1 1.03 0.03 . 1 . . . . . . . . 6406 1 1287 . 1 1 108 108 THR HG22 H 1 1.03 0.03 . 1 . . . . . . . . 6406 1 1288 . 1 1 108 108 THR HG23 H 1 1.03 0.03 . 1 . . . . . . . . 6406 1 1289 . 1 1 108 108 THR C C 13 174.56 0.50 . 1 . . . . . . . . 6406 1 1290 . 1 1 108 108 THR CA C 13 61.99 0.50 . 1 . . . . . . . . 6406 1 1291 . 1 1 108 108 THR CB C 13 73.32 0.50 . 1 . . . . . . . . 6406 1 1292 . 1 1 108 108 THR CG2 C 13 22.258 0.50 . 1 . . . . . . . . 6406 1 1293 . 1 1 108 108 THR N N 15 117.377 0.25 . 1 . . . . . . . . 6406 1 1294 . 1 1 109 109 SER H H 1 8.434 0.03 . 1 . . . . . . . . 6406 1 1295 . 1 1 109 109 SER HA H 1 4.795 0.03 . 1 . . . . . . . . 6406 1 1296 . 1 1 109 109 SER HB2 H 1 3.873 0.03 . 1 . . . . . . . . 6406 1 1297 . 1 1 109 109 SER HB3 H 1 3.873 0.03 . 1 . . . . . . . . 6406 1 1298 . 1 1 109 109 SER C C 13 171.66 0.50 . 1 . . . . . . . . 6406 1 1299 . 1 1 109 109 SER CA C 13 58.00 0.50 . 1 . . . . . . . . 6406 1 1300 . 1 1 109 109 SER CB C 13 63.51 0.50 . 1 . . . . . . . . 6406 1 1301 . 1 1 109 109 SER N N 15 122.663 0.25 . 1 . . . . . . . . 6406 1 1302 . 1 1 110 110 LEU H H 1 9.11 0.03 . 1 . . . . . . . . 6406 1 1303 . 1 1 110 110 LEU HA H 1 5.428 0.03 . 1 . . . . . . . . 6406 1 1304 . 1 1 110 110 LEU HB2 H 1 1.159 0.03 . 2 . . . . . . . . 6406 1 1305 . 1 1 110 110 LEU HB3 H 1 2.434 0.03 . 2 . . . . . . . . 6406 1 1306 . 1 1 110 110 LEU HG H 1 1.34 0.03 . 1 . . . . . . . . 6406 1 1307 . 1 1 110 110 LEU HD11 H 1 0.67 0.03 . 2 . . . . . . . . 6406 1 1308 . 1 1 110 110 LEU HD12 H 1 0.67 0.03 . 2 . . . . . . . . 6406 1 1309 . 1 1 110 110 LEU HD13 H 1 0.67 0.03 . 2 . . . . . . . . 6406 1 1310 . 1 1 110 110 LEU HD21 H 1 0.77 0.03 . 2 . . . . . . . . 6406 1 1311 . 1 1 110 110 LEU HD22 H 1 0.77 0.03 . 2 . . . . . . . . 6406 1 1312 . 1 1 110 110 LEU HD23 H 1 0.77 0.03 . 2 . . . . . . . . 6406 1 1313 . 1 1 110 110 LEU C C 13 175.87 0.50 . 1 . . . . . . . . 6406 1 1314 . 1 1 110 110 LEU CA C 13 53.59 0.50 . 1 . . . . . . . . 6406 1 1315 . 1 1 110 110 LEU CB C 13 45.93 0.50 . 1 . . . . . . . . 6406 1 1316 . 1 1 110 110 LEU CG C 13 28.167 0.50 . 1 . . . . . . . . 6406 1 1317 . 1 1 110 110 LEU CD1 C 13 26.385 0.50 . 2 . . . . . . . . 6406 1 1318 . 1 1 110 110 LEU CD2 C 13 24.517 0.50 . 2 . . . . . . . . 6406 1 1319 . 1 1 110 110 LEU N N 15 129.466 0.25 . 1 . . . . . . . . 6406 1 1320 . 1 1 111 111 VAL H H 1 8.914 0.03 . 1 . . . . . . . . 6406 1 1321 . 1 1 111 111 VAL HA H 1 4.102 0.03 . 1 . . . . . . . . 6406 1 1322 . 1 1 111 111 VAL HB H 1 2.004 0.03 . 1 . . . . . . . . 6406 1 1323 . 1 1 111 111 VAL HG11 H 1 0.902 0.03 . 2 . . . . . . . . 6406 1 1324 . 1 1 111 111 VAL HG12 H 1 0.902 0.03 . 2 . . . . . . . . 6406 1 1325 . 1 1 111 111 VAL HG13 H 1 0.902 0.03 . 2 . . . . . . . . 6406 1 1326 . 1 1 111 111 VAL HG21 H 1 0.821 0.03 . 2 . . . . . . . . 6406 1 1327 . 1 1 111 111 VAL HG22 H 1 0.821 0.03 . 2 . . . . . . . . 6406 1 1328 . 1 1 111 111 VAL HG23 H 1 0.821 0.03 . 2 . . . . . . . . 6406 1 1329 . 1 1 111 111 VAL C C 13 173.24 0.50 . 1 . . . . . . . . 6406 1 1330 . 1 1 111 111 VAL CA C 13 62.26 0.50 . 1 . . . . . . . . 6406 1 1331 . 1 1 111 111 VAL CB C 13 34.44 0.50 . 1 . . . . . . . . 6406 1 1332 . 1 1 111 111 VAL CG1 C 13 21.445 0.50 . 1 . . . . . . . . 6406 1 1333 . 1 1 111 111 VAL CG2 C 13 21.08 0.50 . 2 . . . . . . . . 6406 1 1334 . 1 1 111 111 VAL N N 15 129.123 0.25 . 1 . . . . . . . . 6406 1 1335 . 1 1 112 112 VAL H H 1 8.062 0.03 . 1 . . . . . . . . 6406 1 1336 . 1 1 112 112 VAL HA H 1 4.508 0.03 . 1 . . . . . . . . 6406 1 1337 . 1 1 112 112 VAL HB H 1 1.823 0.03 . 1 . . . . . . . . 6406 1 1338 . 1 1 112 112 VAL HG11 H 1 0.685 0.03 . 1 . . . . . . . . 6406 1 1339 . 1 1 112 112 VAL HG12 H 1 0.685 0.03 . 1 . . . . . . . . 6406 1 1340 . 1 1 112 112 VAL HG13 H 1 0.685 0.03 . 1 . . . . . . . . 6406 1 1341 . 1 1 112 112 VAL HG21 H 1 0.345 0.03 . 2 . . . . . . . . 6406 1 1342 . 1 1 112 112 VAL HG22 H 1 0.345 0.03 . 2 . . . . . . . . 6406 1 1343 . 1 1 112 112 VAL HG23 H 1 0.345 0.03 . 2 . . . . . . . . 6406 1 1344 . 1 1 112 112 VAL C C 13 175.865 0.50 . 1 . . . . . . . . 6406 1 1345 . 1 1 112 112 VAL CA C 13 59.726 0.50 . 1 . . . . . . . . 6406 1 1346 . 1 1 112 112 VAL CB C 13 32.326 0.50 . 1 . . . . . . . . 6406 1 1347 . 1 1 112 112 VAL CG1 C 13 19.12 0.50 . 2 . . . . . . . . 6406 1 1348 . 1 1 112 112 VAL CG2 C 13 19.68 0.50 . 2 . . . . . . . . 6406 1 1349 . 1 1 112 112 VAL N N 15 126.226 0.25 . 1 . . . . . . . . 6406 1 1350 . 1 1 113 113 ASN H H 1 8.829 0.03 . 1 . . . . . . . . 6406 1 1351 . 1 1 113 113 ASN HA H 1 5.07 0.03 . 1 . . . . . . . . 6406 1 1352 . 1 1 113 113 ASN HB2 H 1 2.67 0.03 . 1 . . . . . . . . 6406 1 1353 . 1 1 113 113 ASN HB3 H 1 2.67 0.03 . 1 . . . . . . . . 6406 1 1354 . 1 1 113 113 ASN HD21 H 1 6.456 0.03 . 1 . . . . . . . . 6406 1 1355 . 1 1 113 113 ASN HD22 H 1 6.021 0.03 . 1 . . . . . . . . 6406 1 1356 . 1 1 113 113 ASN C C 13 173.044 0.50 . 1 . . . . . . . . 6406 1 1357 . 1 1 113 113 ASN CA C 13 50.35 0.50 . 1 . . . . . . . . 6406 1 1358 . 1 1 113 113 ASN CB C 13 39.5 0.50 . 1 . . . . . . . . 6406 1 1359 . 1 1 113 113 ASN N N 15 126.265 0.25 . 1 . . . . . . . . 6406 1 1360 . 1 1 113 113 ASN ND2 N 15 111.241 0.25 . 1 . . . . . . . . 6406 1 1361 . 1 1 114 114 PRO HA H 1 4.56 0.03 . 1 . . . . . . . . 6406 1 1362 . 1 1 114 114 PRO HB2 H 1 2.04 0.03 . 1 . . . . . . . . 6406 1 1363 . 1 1 114 114 PRO HB3 H 1 2.04 0.03 . 1 . . . . . . . . 6406 1 1364 . 1 1 114 114 PRO HD2 H 1 2.90 0.03 . 2 . . . . . . . . 6406 1 1365 . 1 1 114 114 PRO HD3 H 1 3.02 0.03 . 2 . . . . . . . . 6406 1 1366 . 1 1 114 114 PRO CA C 13 64.6 0.50 . 1 . . . . . . . . 6406 1 1367 . 1 1 114 114 PRO CB C 13 32.3 0.50 . 1 . . . . . . . . 6406 1 1368 . 1 1 114 114 PRO CG C 13 29.18 0.50 . 1 . . . . . . . . 6406 1 1369 . 1 1 114 114 PRO CD C 13 51.02 0.50 . 1 . . . . . . . . 6406 1 stop_ save_