data_6436 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6436 _Entry.Title ; 1H, 15N, and 13C resonance assignments of a natively unfolded protein XC4149 from the plant pathogen Xanthomonas campestris pv. campestris 17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-16 _Entry.Accession_date 2004-12-20 _Entry.Last_release_date 2009-05-27 _Entry.Original_release_date 2009-05-27 _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 Ko-Hsin Chin . . . 6436 2 Jien-Horng Lin . . . 6436 3 Chao-Yu Yang . . . 6436 4 Jhe-Le Tu . . . 6436 5 Ping-Chiang Lyu . . . 6436 6 Shan-Ho Chou . . . 6436 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6436 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 6436 '15N chemical shifts' 102 6436 '1H chemical shifts' 529 6436 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 . . 2009-05-27 2004-12-16 original author . 6436 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6436 _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 ; 1H,15N, and 13C resonance assignments of a natively unfolded protein XC4149 from the plant pathogen XCC 17 ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ko-Hsin Chin . . . 6436 1 2 Jien-Horng Lin . . . 6436 1 3 Chao-Yu Yang . . . 6436 1 4 Jhe-Le Tu . . . 6436 1 5 Shan-Ho Chou . . . 6436 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HN(C)N 6436 1 HNN 6436 1 'natively unfolded protein' 6436 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6436 _Assembly.ID 1 _Assembly.Name 'XC 4149' _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 free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'physical state is reported as natively unfolded' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6436 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 'Natively unfolded protein XC4149' 1 $XC4149 . . . native . . . . . 6436 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'XC 4149' abbreviation 6436 1 'XC 4149' system 6436 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XC4149 _Entity.Sf_category entity _Entity.Sf_framecode XC4149 _Entity.Entry_ID 6436 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'XC 4149' _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 ; MNDKPKLDTHDERQSAYRGD GGDASVDGRGRQDPSAADTA DAAPPQEGQPQAYYPRGHGH GGGLGEGEPDGHAERDGQTQ PNFGQSGTYGKQDHQQAQQR ARADSDSDSEGDDT ; _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 free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 GB AAM42954 . "conserved hypothetical protein [Xanthomonas campestris pv. campestris str. ATCC 33913]" . . . . . 100.00 114 100.00 100.00 2.09e-71 . . . . 6436 1 2 no REF NP_639030 . "hypothetical protein XCC3684 [Xanthomonas campestris pv. campestris str. ATCC 33913]" . . . . . 100.00 114 100.00 100.00 2.09e-71 . . . . 6436 1 3 no REF WP_011038767 . "hypothetical protein [Xanthomonas campestris]" . . . . . 100.00 114 100.00 100.00 2.09e-71 . . . . 6436 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'XC 4149' abbreviation 6436 1 'XC 4149' common 6436 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 . 6436 1 2 . ASN . 6436 1 3 . ASP . 6436 1 4 . LYS . 6436 1 5 . PRO . 6436 1 6 . LYS . 6436 1 7 . LEU . 6436 1 8 . ASP . 6436 1 9 . THR . 6436 1 10 . HIS . 6436 1 11 . ASP . 6436 1 12 . GLU . 6436 1 13 . ARG . 6436 1 14 . GLN . 6436 1 15 . SER . 6436 1 16 . ALA . 6436 1 17 . TYR . 6436 1 18 . ARG . 6436 1 19 . GLY . 6436 1 20 . ASP . 6436 1 21 . GLY . 6436 1 22 . GLY . 6436 1 23 . ASP . 6436 1 24 . ALA . 6436 1 25 . SER . 6436 1 26 . VAL . 6436 1 27 . ASP . 6436 1 28 . GLY . 6436 1 29 . ARG . 6436 1 30 . GLY . 6436 1 31 . ARG . 6436 1 32 . GLN . 6436 1 33 . ASP . 6436 1 34 . PRO . 6436 1 35 . SER . 6436 1 36 . ALA . 6436 1 37 . ALA . 6436 1 38 . ASP . 6436 1 39 . THR . 6436 1 40 . ALA . 6436 1 41 . ASP . 6436 1 42 . ALA . 6436 1 43 . ALA . 6436 1 44 . PRO . 6436 1 45 . PRO . 6436 1 46 . GLN . 6436 1 47 . GLU . 6436 1 48 . GLY . 6436 1 49 . GLN . 6436 1 50 . PRO . 6436 1 51 . GLN . 6436 1 52 . ALA . 6436 1 53 . TYR . 6436 1 54 . TYR . 6436 1 55 . PRO . 6436 1 56 . ARG . 6436 1 57 . GLY . 6436 1 58 . HIS . 6436 1 59 . GLY . 6436 1 60 . HIS . 6436 1 61 . GLY . 6436 1 62 . GLY . 6436 1 63 . GLY . 6436 1 64 . LEU . 6436 1 65 . GLY . 6436 1 66 . GLU . 6436 1 67 . GLY . 6436 1 68 . GLU . 6436 1 69 . PRO . 6436 1 70 . ASP . 6436 1 71 . GLY . 6436 1 72 . HIS . 6436 1 73 . ALA . 6436 1 74 . GLU . 6436 1 75 . ARG . 6436 1 76 . ASP . 6436 1 77 . GLY . 6436 1 78 . GLN . 6436 1 79 . THR . 6436 1 80 . GLN . 6436 1 81 . PRO . 6436 1 82 . ASN . 6436 1 83 . PHE . 6436 1 84 . GLY . 6436 1 85 . GLN . 6436 1 86 . SER . 6436 1 87 . GLY . 6436 1 88 . THR . 6436 1 89 . TYR . 6436 1 90 . GLY . 6436 1 91 . LYS . 6436 1 92 . GLN . 6436 1 93 . ASP . 6436 1 94 . HIS . 6436 1 95 . GLN . 6436 1 96 . GLN . 6436 1 97 . ALA . 6436 1 98 . GLN . 6436 1 99 . GLN . 6436 1 100 . ARG . 6436 1 101 . ALA . 6436 1 102 . ARG . 6436 1 103 . ALA . 6436 1 104 . ASP . 6436 1 105 . SER . 6436 1 106 . ASP . 6436 1 107 . SER . 6436 1 108 . ASP . 6436 1 109 . SER . 6436 1 110 . GLU . 6436 1 111 . GLY . 6436 1 112 . ASP . 6436 1 113 . ASP . 6436 1 114 . THR . 6436 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 6436 1 . ASN 2 2 6436 1 . ASP 3 3 6436 1 . LYS 4 4 6436 1 . PRO 5 5 6436 1 . LYS 6 6 6436 1 . LEU 7 7 6436 1 . ASP 8 8 6436 1 . THR 9 9 6436 1 . HIS 10 10 6436 1 . ASP 11 11 6436 1 . GLU 12 12 6436 1 . ARG 13 13 6436 1 . GLN 14 14 6436 1 . SER 15 15 6436 1 . ALA 16 16 6436 1 . TYR 17 17 6436 1 . ARG 18 18 6436 1 . GLY 19 19 6436 1 . ASP 20 20 6436 1 . GLY 21 21 6436 1 . GLY 22 22 6436 1 . ASP 23 23 6436 1 . ALA 24 24 6436 1 . SER 25 25 6436 1 . VAL 26 26 6436 1 . ASP 27 27 6436 1 . GLY 28 28 6436 1 . ARG 29 29 6436 1 . GLY 30 30 6436 1 . ARG 31 31 6436 1 . GLN 32 32 6436 1 . ASP 33 33 6436 1 . PRO 34 34 6436 1 . SER 35 35 6436 1 . ALA 36 36 6436 1 . ALA 37 37 6436 1 . ASP 38 38 6436 1 . THR 39 39 6436 1 . ALA 40 40 6436 1 . ASP 41 41 6436 1 . ALA 42 42 6436 1 . ALA 43 43 6436 1 . PRO 44 44 6436 1 . PRO 45 45 6436 1 . GLN 46 46 6436 1 . GLU 47 47 6436 1 . GLY 48 48 6436 1 . GLN 49 49 6436 1 . PRO 50 50 6436 1 . GLN 51 51 6436 1 . ALA 52 52 6436 1 . TYR 53 53 6436 1 . TYR 54 54 6436 1 . PRO 55 55 6436 1 . ARG 56 56 6436 1 . GLY 57 57 6436 1 . HIS 58 58 6436 1 . GLY 59 59 6436 1 . HIS 60 60 6436 1 . GLY 61 61 6436 1 . GLY 62 62 6436 1 . GLY 63 63 6436 1 . LEU 64 64 6436 1 . GLY 65 65 6436 1 . GLU 66 66 6436 1 . GLY 67 67 6436 1 . GLU 68 68 6436 1 . PRO 69 69 6436 1 . ASP 70 70 6436 1 . GLY 71 71 6436 1 . HIS 72 72 6436 1 . ALA 73 73 6436 1 . GLU 74 74 6436 1 . ARG 75 75 6436 1 . ASP 76 76 6436 1 . GLY 77 77 6436 1 . GLN 78 78 6436 1 . THR 79 79 6436 1 . GLN 80 80 6436 1 . PRO 81 81 6436 1 . ASN 82 82 6436 1 . PHE 83 83 6436 1 . GLY 84 84 6436 1 . GLN 85 85 6436 1 . SER 86 86 6436 1 . GLY 87 87 6436 1 . THR 88 88 6436 1 . TYR 89 89 6436 1 . GLY 90 90 6436 1 . LYS 91 91 6436 1 . GLN 92 92 6436 1 . ASP 93 93 6436 1 . HIS 94 94 6436 1 . GLN 95 95 6436 1 . GLN 96 96 6436 1 . ALA 97 97 6436 1 . GLN 98 98 6436 1 . GLN 99 99 6436 1 . ARG 100 100 6436 1 . ALA 101 101 6436 1 . ARG 102 102 6436 1 . ALA 103 103 6436 1 . ASP 104 104 6436 1 . SER 105 105 6436 1 . ASP 106 106 6436 1 . SER 107 107 6436 1 . ASP 108 108 6436 1 . SER 109 109 6436 1 . GLU 110 110 6436 1 . GLY 111 111 6436 1 . ASP 112 112 6436 1 . ASP 113 113 6436 1 . THR 114 114 6436 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 6436 _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 $XC4149 . 562 organism . 'Xanthomonas campestris' 'Xanthomonas campestris' . . Bacteria . Xanthomonas campestris . . . . . . . . . . . . . . . . . . . . . 6436 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 6436 _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 $XC4149 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6436 _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 'XC 4149' . . . 1 $XC4149 . . . . . mM . . . . 6436 1 2 NaCl . . . . . . . 100 . . mM . . . . 6436 1 3 'Na phosphate' . . . . . . . 25 . . mM . . . . 6436 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6436 _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 6.0 . na 6436 1 temperature 298 0.1 K 6436 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6436 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6436 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian DMX . 800 . . . 6436 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 6436 _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 HNN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 2 HN(C)N . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 4 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 5 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 6 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 7 NOESYNhsqc . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 8 TOCSYNhsqc . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 9 C(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 1 10 HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6436 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 6436 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNN _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 6436 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(C)N _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 6436 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6436 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _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 6436 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6436 _NMR_spec_expt.ID 6 _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6436 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name NOESYNhsqc _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 6436 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name TOCSYNhsqc _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 6436 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6436 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HC(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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6436 _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 'XC 4149' protons . . . . ppm 0.01 internal direct . . . . . . . . . . 6436 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6436 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 HNN 1 $sample_1 . 6436 1 2 HN(C)N 1 $sample_1 . 6436 1 3 HNCACB 1 $sample_1 . 6436 1 4 CBCACONH 1 $sample_1 . 6436 1 5 HBHA(CO)NH 1 $sample_1 . 6436 1 6 HNHA 1 $sample_1 . 6436 1 7 NOESYNhsqc 1 $sample_1 . 6436 1 8 TOCSYNhsqc 1 $sample_1 . 6436 1 9 C(CCO)NH 1 $sample_1 . 6436 1 10 HC(CO)NH 1 $sample_1 . 6436 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 H H 1 8.11 . . . . . . . . . . . 6436 1 2 . 1 1 1 1 MET HA H 1 4.39 . . . . . . . . . . . 6436 1 3 . 1 1 1 1 MET HB2 H 1 2.03 . . . . . . . . . . . 6436 1 4 . 1 1 1 1 MET HB3 H 1 1.96 . . . . . . . . . . . 6436 1 5 . 1 1 1 1 MET C C 13 175.8 . . . . . . . . . . . 6436 1 6 . 1 1 1 1 MET N N 15 121.1 . . . . . . . . . . . 6436 1 7 . 1 1 2 2 ASN H H 1 8.28 . . . . . . . . . . . 6436 1 8 . 1 1 2 2 ASN HA H 1 4.66 . . . . . . . . . . . 6436 1 9 . 1 1 2 2 ASN HB2 H 1 2.84 . . . . . . . . . . . 6436 1 10 . 1 1 2 2 ASN HB3 H 1 2.71 . . . . . . . . . . . 6436 1 11 . 1 1 2 2 ASN C C 13 174.2 . . . . . . . . . . . 6436 1 12 . 1 1 2 2 ASN N N 15 119.4 . . . . . . . . . . . 6436 1 13 . 1 1 3 3 ASP HA H 1 4.57 . . . . . . . . . . . 6436 1 14 . 1 1 3 3 ASP HB2 H 1 2.64 . . . . . . . . . . . 6436 1 15 . 1 1 3 3 ASP HB3 H 1 2.64 . . . . . . . . . . . 6436 1 16 . 1 1 3 3 ASP C C 13 175.6 . . . . . . . . . . . 6436 1 17 . 1 1 3 3 ASP CA C 13 54.21 . . . . . . . . . . . 6436 1 18 . 1 1 3 3 ASP CB C 13 41.20 . . . . . . . . . . . 6436 1 19 . 1 1 3 3 ASP N N 15 120.3 . . . . . . . . . . . 6436 1 20 . 1 1 4 4 LYS H H 1 8.06 . . . . . . . . . . . 6436 1 21 . 1 1 4 4 LYS HA H 1 4.56 . . . . . . . . . . . 6436 1 22 . 1 1 4 4 LYS HB2 H 1 1.80 . . . . . . . . . . . 6436 1 23 . 1 1 4 4 LYS HB3 H 1 1.72 . . . . . . . . . . . 6436 1 24 . 1 1 4 4 LYS HG2 H 1 1.48 . . . . . . . . . . . 6436 1 25 . 1 1 4 4 LYS HG3 H 1 1.48 . . . . . . . . . . . 6436 1 26 . 1 1 4 4 LYS CA C 13 54.28 . . . . . . . . . . . 6436 1 27 . 1 1 4 4 LYS CB C 13 32.70 . . . . . . . . . . . 6436 1 28 . 1 1 4 4 LYS N N 15 122.0 . . . . . . . . . . . 6436 1 29 . 1 1 5 5 PRO HA H 1 4.34 . . . . . . . . . . . 6436 1 30 . 1 1 5 5 PRO HB2 H 1 2.26 . . . . . . . . . . . 6436 1 31 . 1 1 5 5 PRO HB3 H 1 1.84 . . . . . . . . . . . 6436 1 32 . 1 1 5 5 PRO HG2 H 1 2.00 . . . . . . . . . . . 6436 1 33 . 1 1 5 5 PRO HG3 H 1 2.00 . . . . . . . . . . . 6436 1 34 . 1 1 5 5 PRO C C 13 176.70 . . . . . . . . . . . 6436 1 35 . 1 1 6 6 LYS H H 1 8.41 . . . . . . . . . . . 6436 1 36 . 1 1 6 6 LYS HA H 1 4.28 . . . . . . . . . . . 6436 1 37 . 1 1 6 6 LYS HB2 H 1 1.79 . . . . . . . . . . . 6436 1 38 . 1 1 6 6 LYS HB3 H 1 1.74 . . . . . . . . . . . 6436 1 39 . 1 1 6 6 LYS HG2 H 1 1.43 . . . . . . . . . . . 6436 1 40 . 1 1 6 6 LYS HG3 H 1 1.43 . . . . . . . . . . . 6436 1 41 . 1 1 6 6 LYS HD2 H 1 1.76 . . . . . . . . . . . 6436 1 42 . 1 1 6 6 LYS HD3 H 1 1.76 . . . . . . . . . . . 6436 1 43 . 1 1 6 6 LYS HE2 H 1 2.48 . . . . . . . . . . . 6436 1 44 . 1 1 6 6 LYS HE3 H 1 2.48 . . . . . . . . . . . 6436 1 45 . 1 1 6 6 LYS C C 13 176.30 . . . . . . . . . . . 6436 1 46 . 1 1 6 6 LYS CA C 13 56.01 . . . . . . . . . . . 6436 1 47 . 1 1 6 6 LYS CB C 13 32.99 . . . . . . . . . . . 6436 1 48 . 1 1 6 6 LYS CG C 13 24.64 . . . . . . . . . . . 6436 1 49 . 1 1 6 6 LYS CD C 13 29.16 . . . . . . . . . . . 6436 1 50 . 1 1 6 6 LYS CE C 13 42.56 . . . . . . . . . . . 6436 1 51 . 1 1 6 6 LYS N N 15 122.1 . . . . . . . . . . . 6436 1 52 . 1 1 7 7 LEU H H 1 8.28 . . . . . . . . . . . 6436 1 53 . 1 1 7 7 LEU HA H 1 4.30 . . . . . . . . . . . 6436 1 54 . 1 1 7 7 LEU HB2 H 1 1.58 . . . . . . . . . . . 6436 1 55 . 1 1 7 7 LEU HB3 H 1 1.58 . . . . . . . . . . . 6436 1 56 . 1 1 7 7 LEU HG H 1 1.58 . . . . . . . . . . . 6436 1 57 . 1 1 7 7 LEU HD11 H 1 0.88 . . . . . . . . . . . 6436 1 58 . 1 1 7 7 LEU HD12 H 1 0.88 . . . . . . . . . . . 6436 1 59 . 1 1 7 7 LEU HD13 H 1 0.88 . . . . . . . . . . . 6436 1 60 . 1 1 7 7 LEU HD21 H 1 0.88 . . . . . . . . . . . 6436 1 61 . 1 1 7 7 LEU HD22 H 1 0.88 . . . . . . . . . . . 6436 1 62 . 1 1 7 7 LEU HD23 H 1 0.88 . . . . . . . . . . . 6436 1 63 . 1 1 7 7 LEU C C 13 176.20 . . . . . . . . . . . 6436 1 64 . 1 1 7 7 LEU CA C 13 55.15 . . . . . . . . . . . 6436 1 65 . 1 1 7 7 LEU CB C 13 42.62 . . . . . . . . . . . 6436 1 66 . 1 1 7 7 LEU CG C 13 26.93 . . . . . . . . . . . 6436 1 67 . 1 1 7 7 LEU CD1 C 13 25.05 . . . . . . . . . . . 6436 1 68 . 1 1 7 7 LEU CD2 C 13 23.63 . . . . . . . . . . . 6436 1 69 . 1 1 7 7 LEU N N 15 123.9 . . . . . . . . . . . 6436 1 70 . 1 1 8 8 ASP H H 1 8.44 . . . . . . . . . . . 6436 1 71 . 1 1 8 8 ASP HA H 1 4.65 . . . . . . . . . . . 6436 1 72 . 1 1 8 8 ASP HB2 H 1 2.70 . . . . . . . . . . . 6436 1 73 . 1 1 8 8 ASP HB3 H 1 2.61 . . . . . . . . . . . 6436 1 74 . 1 1 8 8 ASP C C 13 176.30 . . . . . . . . . . . 6436 1 75 . 1 1 8 8 ASP CA C 13 54.07 . . . . . . . . . . . 6436 1 76 . 1 1 8 8 ASP CB C 13 41.34 . . . . . . . . . . . 6436 1 77 . 1 1 8 8 ASP N N 15 121.8 . . . . . . . . . . . 6436 1 78 . 1 1 9 9 THR H H 1 8.05 . . . . . . . . . . . 6436 1 79 . 1 1 9 9 THR HA H 1 4.41 . . . . . . . . . . . 6436 1 80 . 1 1 9 9 THR HB H 1 4.27 . . . . . . . . . . . 6436 1 81 . 1 1 9 9 THR HG21 H 1 1.17 . . . . . . . . . . . 6436 1 82 . 1 1 9 9 THR HG22 H 1 1.17 . . . . . . . . . . . 6436 1 83 . 1 1 9 9 THR HG23 H 1 1.17 . . . . . . . . . . . 6436 1 84 . 1 1 9 9 THR CA C 13 61.82 . . . . . . . . . . . 6436 1 85 . 1 1 9 9 THR CB C 13 69.50 . . . . . . . . . . . 6436 1 86 . 1 1 9 9 THR N N 15 114.0 . . . . . . . . . . . 6436 1 87 . 1 1 10 10 HIS H H 1 8.53 . . . . . . . . . . . 6436 1 88 . 1 1 10 10 HIS C C 13 175.60 . . . . . . . . . . . 6436 1 89 . 1 1 10 10 HIS CA C 13 56.06 . . . . . . . . . . . 6436 1 90 . 1 1 10 10 HIS CB C 13 29.90 . . . . . . . . . . . 6436 1 91 . 1 1 10 10 HIS NE2 N 15 120.5 . . . . . . . . . . . 6436 1 92 . 1 1 11 11 ASP H H 1 8.31 . . . . . . . . . . . 6436 1 93 . 1 1 11 11 ASP HA H 1 4.57 . . . . . . . . . . . 6436 1 94 . 1 1 11 11 ASP HB2 H 1 2.71 . . . . . . . . . . . 6436 1 95 . 1 1 11 11 ASP HB3 H 1 2.60 . . . . . . . . . . . 6436 1 96 . 1 1 11 11 ASP C C 13 176.40 . . . . . . . . . . . 6436 1 97 . 1 1 11 11 ASP CA C 13 54.37 . . . . . . . . . . . 6436 1 98 . 1 1 11 11 ASP CB C 13 41.41 . . . . . . . . . . . 6436 1 99 . 1 1 11 11 ASP N N 15 121.5 . . . . . . . . . . . 6436 1 100 . 1 1 12 12 GLU H H 1 8.60 . . . . . . . . . . . 6436 1 101 . 1 1 12 12 GLU HA H 1 4.25 . . . . . . . . . . . 6436 1 102 . 1 1 12 12 GLU HB2 H 1 2.08 . . . . . . . . . . . 6436 1 103 . 1 1 12 12 GLU HB3 H 1 1.97 . . . . . . . . . . . 6436 1 104 . 1 1 12 12 GLU HG2 H 1 2.28 . . . . . . . . . . . 6436 1 105 . 1 1 12 12 GLU HG3 H 1 2.28 . . . . . . . . . . . 6436 1 106 . 1 1 12 12 GLU C C 13 176.80 . . . . . . . . . . . 6436 1 107 . 1 1 12 12 GLU CA C 13 57.05 . . . . . . . . . . . 6436 1 108 . 1 1 12 12 GLU CB C 13 30.17 . . . . . . . . . . . 6436 1 109 . 1 1 12 12 GLU N N 15 122.5 . . . . . . . . . . . 6436 1 110 . 1 1 13 13 ARG H H 1 8.36 . . . . . . . . . . . 6436 1 111 . 1 1 13 13 ARG HA H 1 4.28 . . . . . . . . . . . 6436 1 112 . 1 1 13 13 ARG HB2 H 1 1.84 . . . . . . . . . . . 6436 1 113 . 1 1 13 13 ARG HB3 H 1 1.84 . . . . . . . . . . . 6436 1 114 . 1 1 13 13 ARG HG2 H 1 1.66 . . . . . . . . . . . 6436 1 115 . 1 1 13 13 ARG HG3 H 1 1.66 . . . . . . . . . . . 6436 1 116 . 1 1 13 13 ARG HD2 H 1 2.72 . . . . . . . . . . . 6436 1 117 . 1 1 13 13 ARG HD3 H 1 2.72 . . . . . . . . . . . 6436 1 118 . 1 1 13 13 ARG C C 13 176.80 . . . . . . . . . . . 6436 1 119 . 1 1 13 13 ARG CA C 13 56.66 . . . . . . . . . . . 6436 1 120 . 1 1 13 13 ARG CB C 13 30.41 . . . . . . . . . . . 6436 1 121 . 1 1 13 13 ARG CG C 13 27.47 . . . . . . . . . . . 6436 1 122 . 1 1 13 13 ARG CD C 13 43.57 . . . . . . . . . . . 6436 1 123 . 1 1 13 13 ARG N N 15 121.0 . . . . . . . . . . . 6436 1 124 . 1 1 14 14 GLN H H 1 8.23 . . . . . . . . . . . 6436 1 125 . 1 1 14 14 GLN HA H 1 4.31 . . . . . . . . . . . 6436 1 126 . 1 1 14 14 GLN HB2 H 1 2.13 . . . . . . . . . . . 6436 1 127 . 1 1 14 14 GLN HB3 H 1 1.99 . . . . . . . . . . . 6436 1 128 . 1 1 14 14 GLN HG2 H 1 2.38 . . . . . . . . . . . 6436 1 129 . 1 1 14 14 GLN HG3 H 1 2.38 . . . . . . . . . . . 6436 1 130 . 1 1 14 14 GLN C C 13 176.20 . . . . . . . . . . . 6436 1 131 . 1 1 14 14 GLN CA C 13 56.09 . . . . . . . . . . . 6436 1 132 . 1 1 14 14 GLN CB C 13 29.36 . . . . . . . . . . . 6436 1 133 . 1 1 14 14 GLN CG C 13 33.40 . . . . . . . . . . . 6436 1 134 . 1 1 14 14 GLN N N 15 120.3 . . . . . . . . . . . 6436 1 135 . 1 1 15 15 SER H H 1 8.27 . . . . . . . . . . . 6436 1 136 . 1 1 15 15 SER HA H 1 4.37 . . . . . . . . . . . 6436 1 137 . 1 1 15 15 SER HB2 H 1 3.85 . . . . . . . . . . . 6436 1 138 . 1 1 15 15 SER HB3 H 1 3.85 . . . . . . . . . . . 6436 1 139 . 1 1 15 15 SER C C 13 174.30 . . . . . . . . . . . 6436 1 140 . 1 1 15 15 SER CA C 13 58.72 . . . . . . . . . . . 6436 1 141 . 1 1 15 15 SER CB C 13 63.84 . . . . . . . . . . . 6436 1 142 . 1 1 15 15 SER N N 15 116.5 . . . . . . . . . . . 6436 1 143 . 1 1 16 16 ALA H H 1 8.23 . . . . . . . . . . . 6436 1 144 . 1 1 16 16 ALA HA H 1 4.27 . . . . . . . . . . . 6436 1 145 . 1 1 16 16 ALA HB1 H 1 1.30 . . . . . . . . . . . 6436 1 146 . 1 1 16 16 ALA HB2 H 1 1.30 . . . . . . . . . . . 6436 1 147 . 1 1 16 16 ALA HB3 H 1 1.30 . . . . . . . . . . . 6436 1 148 . 1 1 16 16 ALA C C 13 177.30 . . . . . . . . . . . 6436 1 149 . 1 1 16 16 ALA CA C 13 52.73 . . . . . . . . . . . 6436 1 150 . 1 1 16 16 ALA CB C 13 19.16 . . . . . . . . . . . 6436 1 151 . 1 1 16 16 ALA N N 15 125.5 . . . . . . . . . . . 6436 1 152 . 1 1 17 17 TYR H H 1 8.11 . . . . . . . . . . . 6436 1 153 . 1 1 17 17 TYR HA H 1 4.50 . . . . . . . . . . . 6436 1 154 . 1 1 17 17 TYR HB2 H 1 2.98 . . . . . . . . . . . 6436 1 155 . 1 1 17 17 TYR HB3 H 1 2.98 . . . . . . . . . . . 6436 1 156 . 1 1 17 17 TYR C C 13 175.70 . . . . . . . . . . . 6436 1 157 . 1 1 17 17 TYR CA C 13 58.05 . . . . . . . . . . . 6436 1 158 . 1 1 17 17 TYR CB C 13 38.71 . . . . . . . . . . . 6436 1 159 . 1 1 17 17 TYR N N 15 119.6 . . . . . . . . . . . 6436 1 160 . 1 1 18 18 ARG H H 1 8.21 . . . . . . . . . . . 6436 1 161 . 1 1 18 18 ARG HA H 1 4.29 . . . . . . . . . . . 6436 1 162 . 1 1 18 18 ARG HB2 H 1 1.83 . . . . . . . . . . . 6436 1 163 . 1 1 18 18 ARG HB3 H 1 1.68 . . . . . . . . . . . 6436 1 164 . 1 1 18 18 ARG HG2 H 1 1.56 . . . . . . . . . . . 6436 1 165 . 1 1 18 18 ARG HG3 H 1 1.56 . . . . . . . . . . . 6436 1 166 . 1 1 18 18 ARG HD2 H 1 3.16 . . . . . . . . . . . 6436 1 167 . 1 1 18 18 ARG HD3 H 1 3.16 . . . . . . . . . . . 6436 1 168 . 1 1 18 18 ARG C C 13 176.30 . . . . . . . . . . . 6436 1 169 . 1 1 18 18 ARG CA C 13 55.96 . . . . . . . . . . . 6436 1 170 . 1 1 18 18 ARG CB C 13 30.97 . . . . . . . . . . . 6436 1 171 . 1 1 18 18 ARG CG C 13 27.07 . . . . . . . . . . . 6436 1 172 . 1 1 18 18 ARG CD C 13 43.43 . . . . . . . . . . . 6436 1 173 . 1 1 18 18 ARG N N 15 124.0 . . . . . . . . . . . 6436 1 174 . 1 1 19 19 GLY H H 1 7.71 . . . . . . . . . . . 6436 1 175 . 1 1 19 19 GLY HA2 H 1 3.92 . . . . . . . . . . . 6436 1 176 . 1 1 19 19 GLY HA3 H 1 3.92 . . . . . . . . . . . 6436 1 177 . 1 1 19 19 GLY C C 13 176.30 . . . . . . . . . . . 6436 1 178 . 1 1 19 19 GLY CA C 13 45.37 . . . . . . . . . . . 6436 1 179 . 1 1 19 19 GLY N N 15 109.1 . . . . . . . . . . . 6436 1 180 . 1 1 20 20 ASP H H 1 8.26 . . . . . . . . . . . 6436 1 181 . 1 1 20 20 ASP HA H 1 4.62 . . . . . . . . . . . 6436 1 182 . 1 1 20 20 ASP HB2 H 1 2.69 . . . . . . . . . . . 6436 1 183 . 1 1 20 20 ASP HB3 H 1 2.69 . . . . . . . . . . . 6436 1 184 . 1 1 20 20 ASP C C 13 176.90 . . . . . . . . . . . 6436 1 185 . 1 1 20 20 ASP CA C 13 54.14 . . . . . . . . . . . 6436 1 186 . 1 1 20 20 ASP CB C 13 41.34 . . . . . . . . . . . 6436 1 187 . 1 1 20 20 ASP N N 15 119.9 . . . . . . . . . . . 6436 1 188 . 1 1 21 21 GLY H H 1 8.34 . . . . . . . . . . . 6436 1 189 . 1 1 21 21 GLY HA2 H 1 3.96 . . . . . . . . . . . 6436 1 190 . 1 1 21 21 GLY HA3 H 1 3.96 . . . . . . . . . . . 6436 1 191 . 1 1 21 21 GLY C C 13 174.90 . . . . . . . . . . . 6436 1 192 . 1 1 21 21 GLY CA C 13 45.32 . . . . . . . . . . . 6436 1 193 . 1 1 21 21 GLY N N 15 108.9 . . . . . . . . . . . 6436 1 194 . 1 1 22 22 GLY H H 1 8.46 . . . . . . . . . . . 6436 1 195 . 1 1 22 22 GLY HA2 H 1 3.92 . . . . . . . . . . . 6436 1 196 . 1 1 22 22 GLY HA3 H 1 3.92 . . . . . . . . . . . 6436 1 197 . 1 1 22 22 GLY C C 13 173.90 . . . . . . . . . . . 6436 1 198 . 1 1 22 22 GLY CA C 13 45.32 . . . . . . . . . . . 6436 1 199 . 1 1 22 22 GLY N N 15 109.4 . . . . . . . . . . . 6436 1 200 . 1 1 23 23 ASP H H 1 8.27 . . . . . . . . . . . 6436 1 201 . 1 1 23 23 ASP HA H 1 4.60 . . . . . . . . . . . 6436 1 202 . 1 1 23 23 ASP HB2 H 1 2.70 . . . . . . . . . . . 6436 1 203 . 1 1 23 23 ASP HB3 H 1 2.64 . . . . . . . . . . . 6436 1 204 . 1 1 23 23 ASP C C 13 176.10 . . . . . . . . . . . 6436 1 205 . 1 1 23 23 ASP CA C 13 54.21 . . . . . . . . . . . 6436 1 206 . 1 1 23 23 ASP CB C 13 41.21 . . . . . . . . . . . 6436 1 207 . 1 1 23 23 ASP N N 15 120.4 . . . . . . . . . . . 6436 1 208 . 1 1 24 24 ALA H H 1 8.31 . . . . . . . . . . . 6436 1 209 . 1 1 24 24 ALA HA H 1 4.32 . . . . . . . . . . . 6436 1 210 . 1 1 24 24 ALA HB1 H 1 1.38 . . . . . . . . . . . 6436 1 211 . 1 1 24 24 ALA HB2 H 1 1.38 . . . . . . . . . . . 6436 1 212 . 1 1 24 24 ALA HB3 H 1 1.38 . . . . . . . . . . . 6436 1 213 . 1 1 24 24 ALA C C 13 177.80 . . . . . . . . . . . 6436 1 214 . 1 1 24 24 ALA CA C 13 52.73 . . . . . . . . . . . 6436 1 215 . 1 1 24 24 ALA CB C 13 19.12 . . . . . . . . . . . 6436 1 216 . 1 1 24 24 ALA N N 15 124.6 . . . . . . . . . . . 6436 1 217 . 1 1 25 25 SER H H 1 8.31 . . . . . . . . . . . 6436 1 218 . 1 1 25 25 SER HA H 1 4.41 . . . . . . . . . . . 6436 1 219 . 1 1 25 25 SER HB2 H 1 3.88 . . . . . . . . . . . 6436 1 220 . 1 1 25 25 SER C C 13 175.00 . . . . . . . . . . . 6436 1 221 . 1 1 25 25 SER CA C 13 58.69 . . . . . . . . . . . 6436 1 222 . 1 1 25 25 SER CB C 13 63.84 . . . . . . . . . . . 6436 1 223 . 1 1 25 25 SER N N 15 114.9 . . . . . . . . . . . 6436 1 224 . 1 1 26 26 VAL H H 1 8.06 . . . . . . . . . . . 6436 1 225 . 1 1 26 26 VAL HA H 1 4.13 . . . . . . . . . . . 6436 1 226 . 1 1 26 26 VAL HB H 1 2.11 . . . . . . . . . . . 6436 1 227 . 1 1 26 26 VAL HG11 H 1 0.92 . . . . . . . . . . . 6436 1 228 . 1 1 26 26 VAL HG12 H 1 0.92 . . . . . . . . . . . 6436 1 229 . 1 1 26 26 VAL HG13 H 1 0.92 . . . . . . . . . . . 6436 1 230 . 1 1 26 26 VAL HG21 H 1 0.92 . . . . . . . . . . . 6436 1 231 . 1 1 26 26 VAL HG22 H 1 0.92 . . . . . . . . . . . 6436 1 232 . 1 1 26 26 VAL HG23 H 1 0.92 . . . . . . . . . . . 6436 1 233 . 1 1 26 26 VAL C C 13 176.00 . . . . . . . . . . . 6436 1 234 . 1 1 26 26 VAL CA C 13 62.52 . . . . . . . . . . . 6436 1 235 . 1 1 26 26 VAL CB C 13 32.72 . . . . . . . . . . . 6436 1 236 . 1 1 26 26 VAL CG1 C 13 20.80 . . . . . . . . . . . 6436 1 237 . 1 1 26 26 VAL CG2 C 13 20.13 . . . . . . . . . . . 6436 1 238 . 1 1 26 26 VAL N N 15 120.9 . . . . . . . . . . . 6436 1 239 . 1 1 27 27 ASP H H 1 8.28 . . . . . . . . . . . 6436 1 240 . 1 1 27 27 ASP HA H 1 4.56 . . . . . . . . . . . 6436 1 241 . 1 1 27 27 ASP HB2 H 1 2.69 . . . . . . . . . . . 6436 1 242 . 1 1 27 27 ASP C C 13 176.90 . . . . . . . . . . . 6436 1 243 . 1 1 27 27 ASP CA C 13 54.34 . . . . . . . . . . . 6436 1 244 . 1 1 27 27 ASP CB C 13 41.35 . . . . . . . . . . . 6436 1 245 . 1 1 27 27 ASP N N 15 122.6 . . . . . . . . . . . 6436 1 246 . 1 1 28 28 GLY H H 1 8.30 . . . . . . . . . . . 6436 1 247 . 1 1 28 28 GLY HA2 H 1 3.94 . . . . . . . . . . . 6436 1 248 . 1 1 28 28 GLY HA3 H 1 3.94 . . . . . . . . . . . 6436 1 249 . 1 1 28 28 GLY C C 13 173.80 . . . . . . . . . . . 6436 1 250 . 1 1 28 28 GLY CA C 13 45.32 . . . . . . . . . . . 6436 1 251 . 1 1 28 28 GLY N N 15 109.4 . . . . . . . . . . . 6436 1 252 . 1 1 29 29 ARG H H 1 8.15 . . . . . . . . . . . 6436 1 253 . 1 1 29 29 ARG HA H 1 4.31 . . . . . . . . . . . 6436 1 254 . 1 1 29 29 ARG HB2 H 1 1.90 . . . . . . . . . . . 6436 1 255 . 1 1 29 29 ARG HB3 H 1 1.83 . . . . . . . . . . . 6436 1 256 . 1 1 29 29 ARG HG2 H 1 1.64 . . . . . . . . . . . 6436 1 257 . 1 1 29 29 ARG HG3 H 1 1.64 . . . . . . . . . . . 6436 1 258 . 1 1 29 29 ARG HD2 H 1 3.20 . . . . . . . . . . . 6436 1 259 . 1 1 29 29 ARG HD3 H 1 3.20 . . . . . . . . . . . 6436 1 260 . 1 1 29 29 ARG C C 13 176.90 . . . . . . . . . . . 6436 1 261 . 1 1 29 29 ARG CA C 13 56.63 . . . . . . . . . . . 6436 1 262 . 1 1 29 29 ARG CB C 13 30.50 . . . . . . . . . . . 6436 1 263 . 1 1 29 29 ARG CG C 13 27.27 . . . . . . . . . . . 6436 1 264 . 1 1 29 29 ARG CD C 13 43.57 . . . . . . . . . . . 6436 1 265 . 1 1 29 29 ARG N N 15 120.2 . . . . . . . . . . . 6436 1 266 . 1 1 30 30 GLY H H 1 8.44 . . . . . . . . . . . 6436 1 267 . 1 1 30 30 GLY HA2 H 1 3.93 . . . . . . . . . . . 6436 1 268 . 1 1 30 30 GLY HA3 H 1 3.93 . . . . . . . . . . . 6436 1 269 . 1 1 30 30 GLY C C 13 174.70 . . . . . . . . . . . 6436 1 270 . 1 1 30 30 GLY CA C 13 45.42 . . . . . . . . . . . 6436 1 271 . 1 1 30 30 GLY N N 15 109.4 . . . . . . . . . . . 6436 1 272 . 1 1 31 31 ARG H H 1 8.15 . . . . . . . . . . . 6436 1 273 . 1 1 31 31 ARG HA H 1 4.30 . . . . . . . . . . . 6436 1 274 . 1 1 31 31 ARG HB2 H 1 1.84 . . . . . . . . . . . 6436 1 275 . 1 1 31 31 ARG HB3 H 1 1.75 . . . . . . . . . . . 6436 1 276 . 1 1 31 31 ARG HG2 H 1 1.59 . . . . . . . . . . . 6436 1 277 . 1 1 31 31 ARG HG3 H 1 1.59 . . . . . . . . . . . 6436 1 278 . 1 1 31 31 ARG HD2 H 1 3.21 . . . . . . . . . . . 6436 1 279 . 1 1 31 31 ARG HD3 H 1 3.21 . . . . . . . . . . . 6436 1 280 . 1 1 31 31 ARG C C 13 176.20 . . . . . . . . . . . 6436 1 281 . 1 1 31 31 ARG CA C 13 56.26 . . . . . . . . . . . 6436 1 282 . 1 1 31 31 ARG CB C 13 30.81 . . . . . . . . . . . 6436 1 283 . 1 1 31 31 ARG CG C 13 27.20 . . . . . . . . . . . 6436 1 284 . 1 1 31 31 ARG CD C 13 43.43 . . . . . . . . . . . 6436 1 285 . 1 1 31 31 ARG N N 15 120.5 . . . . . . . . . . . 6436 1 286 . 1 1 32 32 GLN H H 1 8.47 . . . . . . . . . . . 6436 1 287 . 1 1 32 32 GLN HA H 1 4.32 . . . . . . . . . . . 6436 1 288 . 1 1 32 32 GLN HB2 H 1 2.06 . . . . . . . . . . . 6436 1 289 . 1 1 32 32 GLN HB3 H 1 1.95 . . . . . . . . . . . 6436 1 290 . 1 1 32 32 GLN HG2 H 1 2.33 . . . . . . . . . . . 6436 1 291 . 1 1 32 32 GLN HG3 H 1 2.33 . . . . . . . . . . . 6436 1 292 . 1 1 32 32 GLN C C 13 174.60 . . . . . . . . . . . 6436 1 293 . 1 1 32 32 GLN CA C 13 55.76 . . . . . . . . . . . 6436 1 294 . 1 1 32 32 GLN CB C 13 29.72 . . . . . . . . . . . 6436 1 295 . 1 1 32 32 GLN CG C 13 33.53 . . . . . . . . . . . 6436 1 296 . 1 1 32 32 GLN N N 15 121.8 . . . . . . . . . . . 6436 1 297 . 1 1 33 33 ASP H H 1 8.43 . . . . . . . . . . . 6436 1 298 . 1 1 33 33 ASP HA H 1 4.75 . . . . . . . . . . . 6436 1 299 . 1 1 33 33 ASP HB2 H 1 2.74 . . . . . . . . . . . 6436 1 300 . 1 1 33 33 ASP HB3 H 1 2.55 . . . . . . . . . . . 6436 1 301 . 1 1 33 33 ASP CA C 13 55.69 . . . . . . . . . . . 6436 1 302 . 1 1 33 33 ASP CB C 13 41.68 . . . . . . . . . . . 6436 1 303 . 1 1 33 33 ASP N N 15 123.3 . . . . . . . . . . . 6436 1 304 . 1 1 34 34 PRO HA H 1 4.44 . . . . . . . . . . . 6436 1 305 . 1 1 34 34 PRO HB2 H 1 2.30 . . . . . . . . . . . 6436 1 306 . 1 1 34 34 PRO HB3 H 1 1.98 . . . . . . . . . . . 6436 1 307 . 1 1 34 34 PRO HG2 H 1 2.03 . . . . . . . . . . . 6436 1 308 . 1 1 34 34 PRO HG3 H 1 2.03 . . . . . . . . . . . 6436 1 309 . 1 1 34 34 PRO HD2 H 1 3.85 . . . . . . . . . . . 6436 1 310 . 1 1 34 34 PRO HD3 H 1 3.85 . . . . . . . . . . . 6436 1 311 . 1 1 34 34 PRO C C 13 177.20 . . . . . . . . . . . 6436 1 312 . 1 1 34 34 PRO CA C 13 63.71 . . . . . . . . . . . 6436 1 313 . 1 1 34 34 PRO CB C 13 32.10 . . . . . . . . . . . 6436 1 314 . 1 1 34 34 PRO CG C 13 27.61 . . . . . . . . . . . 6436 1 315 . 1 1 34 34 PRO CD C 13 50.91 . . . . . . . . . . . 6436 1 316 . 1 1 35 35 SER H H 1 8.47 . . . . . . . . . . . 6436 1 317 . 1 1 35 35 SER HA H 1 4.39 . . . . . . . . . . . 6436 1 318 . 1 1 35 35 SER HB2 H 1 3.89 . . . . . . . . . . . 6436 1 319 . 1 1 35 35 SER HB3 H 1 3.89 . . . . . . . . . . . 6436 1 320 . 1 1 35 35 SER C C 13 174.5 . . . . . . . . . . . 6436 1 321 . 1 1 35 35 SER CA C 13 58.69 . . . . . . . . . . . 6436 1 322 . 1 1 35 35 SER CB C 13 63.86 . . . . . . . . . . . 6436 1 323 . 1 1 35 35 SER N N 15 115.5 . . . . . . . . . . . 6436 1 324 . 1 1 36 36 ALA H H 1 8.08 . . . . . . . . . . . 6436 1 325 . 1 1 36 36 ALA HA H 1 4.30 . . . . . . . . . . . 6436 1 326 . 1 1 36 36 ALA HB1 H 1 1.40 . . . . . . . . . . . 6436 1 327 . 1 1 36 36 ALA HB2 H 1 1.40 . . . . . . . . . . . 6436 1 328 . 1 1 36 36 ALA HB3 H 1 1.40 . . . . . . . . . . . 6436 1 329 . 1 1 36 36 ALA C C 13 177.40 . . . . . . . . . . . 6436 1 330 . 1 1 36 36 ALA CA C 13 52.51 . . . . . . . . . . . 6436 1 331 . 1 1 36 36 ALA CB C 13 19.12 . . . . . . . . . . . 6436 1 332 . 1 1 36 36 ALA N N 15 125.8 . . . . . . . . . . . 6436 1 333 . 1 1 37 37 ALA H H 1 8.11 . . . . . . . . . . . 6436 1 334 . 1 1 37 37 ALA HA H 1 4.28 . . . . . . . . . . . 6436 1 335 . 1 1 37 37 ALA HB1 H 1 1.36 . . . . . . . . . . . 6436 1 336 . 1 1 37 37 ALA HB2 H 1 1.36 . . . . . . . . . . . 6436 1 337 . 1 1 37 37 ALA HB3 H 1 1.36 . . . . . . . . . . . 6436 1 338 . 1 1 37 37 ALA C C 13 177.50 . . . . . . . . . . . 6436 1 339 . 1 1 37 37 ALA CA C 13 52.59 . . . . . . . . . . . 6436 1 340 . 1 1 37 37 ALA CB C 13 19.46 . . . . . . . . . . . 6436 1 341 . 1 1 37 37 ALA N N 15 122.6 . . . . . . . . . . . 6436 1 342 . 1 1 38 38 ASP H H 1 8.26 . . . . . . . . . . . 6436 1 343 . 1 1 38 38 ASP HA H 1 4.62 . . . . . . . . . . . 6436 1 344 . 1 1 38 38 ASP HB2 H 1 2.69 . . . . . . . . . . . 6436 1 345 . 1 1 38 38 ASP HB3 H 1 2.69 . . . . . . . . . . . 6436 1 346 . 1 1 38 38 ASP C C 13 176.50 . . . . . . . . . . . 6436 1 347 . 1 1 38 38 ASP CA C 13 54.42 . . . . . . . . . . . 6436 1 348 . 1 1 38 38 ASP CB C 13 41.30 . . . . . . . . . . . 6436 1 349 . 1 1 38 38 ASP N N 15 119.4 . . . . . . . . . . . 6436 1 350 . 1 1 39 39 THR H H 1 7.99 . . . . . . . . . . . 6436 1 351 . 1 1 39 39 THR HA H 1 4.46 . . . . . . . . . . . 6436 1 352 . 1 1 39 39 THR HB H 1 4.30 . . . . . . . . . . . 6436 1 353 . 1 1 39 39 THR HG21 H 1 1.21 . . . . . . . . . . . 6436 1 354 . 1 1 39 39 THR HG22 H 1 1.21 . . . . . . . . . . . 6436 1 355 . 1 1 39 39 THR HG23 H 1 1.21 . . . . . . . . . . . 6436 1 356 . 1 1 39 39 THR C C 13 174.50 . . . . . . . . . . . 6436 1 357 . 1 1 39 39 THR CA C 13 61.68 . . . . . . . . . . . 6436 1 358 . 1 1 39 39 THR CB C 13 69.83 . . . . . . . . . . . 6436 1 359 . 1 1 39 39 THR N N 15 113.7 . . . . . . . . . . . 6436 1 360 . 1 1 40 40 ALA H H 1 8.26 . . . . . . . . . . . 6436 1 361 . 1 1 40 40 ALA HA H 1 4.28 . . . . . . . . . . . 6436 1 362 . 1 1 40 40 ALA HB1 H 1 1.38 . . . . . . . . . . . 6436 1 363 . 1 1 40 40 ALA HB2 H 1 1.38 . . . . . . . . . . . 6436 1 364 . 1 1 40 40 ALA HB3 H 1 1.38 . . . . . . . . . . . 6436 1 365 . 1 1 40 40 ALA C C 13 177.50 . . . . . . . . . . . 6436 1 366 . 1 1 40 40 ALA CA C 13 52.83 . . . . . . . . . . . 6436 1 367 . 1 1 40 40 ALA CB C 13 19.33 . . . . . . . . . . . 6436 1 368 . 1 1 40 40 ALA N N 15 126.1 . . . . . . . . . . . 6436 1 369 . 1 1 41 41 ASP H H 1 8.23 . . . . . . . . . . . 6436 1 370 . 1 1 41 41 ASP HA H 1 4.53 . . . . . . . . . . . 6436 1 371 . 1 1 41 41 ASP HB2 H 1 2.68 . . . . . . . . . . . 6436 1 372 . 1 1 41 41 ASP HB3 H 1 2.57 . . . . . . . . . . . 6436 1 373 . 1 1 41 41 ASP C C 13 175.70 . . . . . . . . . . . 6436 1 374 . 1 1 41 41 ASP CA C 13 54.42 . . . . . . . . . . . 6436 1 375 . 1 1 41 41 ASP CB C 13 41.20 . . . . . . . . . . . 6436 1 376 . 1 1 41 41 ASP N N 15 119.3 . . . . . . . . . . . 6436 1 377 . 1 1 42 42 ALA H H 1 8.04 . . . . . . . . . . . 6436 1 378 . 1 1 42 42 ALA HA H 1 4.28 . . . . . . . . . . . 6436 1 379 . 1 1 42 42 ALA HB1 H 1 1.36 . . . . . . . . . . . 6436 1 380 . 1 1 42 42 ALA HB2 H 1 1.36 . . . . . . . . . . . 6436 1 381 . 1 1 42 42 ALA HB3 H 1 1.36 . . . . . . . . . . . 6436 1 382 . 1 1 42 42 ALA C C 13 176.90 . . . . . . . . . . . 6436 1 383 . 1 1 42 42 ALA CA C 13 52.12 . . . . . . . . . . . 6436 1 384 . 1 1 42 42 ALA CB C 13 19.26 . . . . . . . . . . . 6436 1 385 . 1 1 42 42 ALA N N 15 124.0 . . . . . . . . . . . 6436 1 386 . 1 1 43 43 ALA H H 1 8.19 . . . . . . . . . . . 6436 1 387 . 1 1 43 43 ALA HA H 1 4.37 . . . . . . . . . . . 6436 1 388 . 1 1 43 43 ALA HB1 H 1 1.34 . . . . . . . . . . . 6436 1 389 . 1 1 43 43 ALA HB2 H 1 1.34 . . . . . . . . . . . 6436 1 390 . 1 1 43 43 ALA HB3 H 1 1.34 . . . . . . . . . . . 6436 1 391 . 1 1 43 43 ALA CA C 13 50.44 . . . . . . . . . . . 6436 1 392 . 1 1 43 43 ALA CB C 13 18.31 . . . . . . . . . . . 6436 1 393 . 1 1 43 43 ALA N N 15 124.8 . . . . . . . . . . . 6436 1 394 . 1 1 45 45 PRO HA H 1 4.40 . . . . . . . . . . . 6436 1 395 . 1 1 45 45 PRO HB2 H 1 2.27 . . . . . . . . . . . 6436 1 396 . 1 1 45 45 PRO HB3 H 1 1.89 . . . . . . . . . . . 6436 1 397 . 1 1 45 45 PRO HG2 H 1 2.02 . . . . . . . . . . . 6436 1 398 . 1 1 45 45 PRO HG3 H 1 2.02 . . . . . . . . . . . 6436 1 399 . 1 1 45 45 PRO C C 13 176.90 . . . . . . . . . . . 6436 1 400 . 1 1 45 45 PRO CA C 13 63.23 . . . . . . . . . . . 6436 1 401 . 1 1 45 45 PRO CB C 13 31.78 . . . . . . . . . . . 6436 1 402 . 1 1 45 45 PRO CG C 13 27.67 . . . . . . . . . . . 6436 1 403 . 1 1 46 46 GLN H H 1 8.48 . . . . . . . . . . . 6436 1 404 . 1 1 46 46 GLN HA H 1 4.30 . . . . . . . . . . . 6436 1 405 . 1 1 46 46 GLN HB2 H 1 2.07 . . . . . . . . . . . 6436 1 406 . 1 1 46 46 GLN HB3 H 1 1.95 . . . . . . . . . . . 6436 1 407 . 1 1 46 46 GLN HG2 H 1 2.37 . . . . . . . . . . . 6436 1 408 . 1 1 46 46 GLN HG3 H 1 2.37 . . . . . . . . . . . 6436 1 409 . 1 1 46 46 GLN C C 13 176.00 . . . . . . . . . . . 6436 1 410 . 1 1 46 46 GLN CA C 13 55.76 . . . . . . . . . . . 6436 1 411 . 1 1 46 46 GLN CB C 13 29.62 . . . . . . . . . . . 6436 1 412 . 1 1 46 46 GLN CG C 13 33.53 . . . . . . . . . . . 6436 1 413 . 1 1 46 46 GLN N N 15 120.7 . . . . . . . . . . . 6436 1 414 . 1 1 47 47 GLU H H 1 8.50 . . . . . . . . . . . 6436 1 415 . 1 1 47 47 GLU HA H 1 4.28 . . . . . . . . . . . 6436 1 416 . 1 1 47 47 GLU HB2 H 1 2.03 . . . . . . . . . . . 6436 1 417 . 1 1 47 47 GLU HB3 H 1 1.94 . . . . . . . . . . . 6436 1 418 . 1 1 47 47 GLU HG2 H 1 2.26 . . . . . . . . . . . 6436 1 419 . 1 1 47 47 GLU HG3 H 1 2.26 . . . . . . . . . . . 6436 1 420 . 1 1 47 47 GLU C C 13 176.80 . . . . . . . . . . . 6436 1 421 . 1 1 47 47 GLU CA C 13 56.66 . . . . . . . . . . . 6436 1 422 . 1 1 47 47 GLU CB C 13 30.43 . . . . . . . . . . . 6436 1 423 . 1 1 47 47 GLU CG C 13 36.02 . . . . . . . . . . . 6436 1 424 . 1 1 47 47 GLU N N 15 122.4 . . . . . . . . . . . 6436 1 425 . 1 1 48 48 GLY H H 1 8.49 . . . . . . . . . . . 6436 1 426 . 1 1 48 48 GLY HA2 H 1 3.94 . . . . . . . . . . . 6436 1 427 . 1 1 48 48 GLY HA3 H 1 3.94 . . . . . . . . . . . 6436 1 428 . 1 1 48 48 GLY C C 13 173.80 . . . . . . . . . . . 6436 1 429 . 1 1 48 48 GLY CA C 13 45.32 . . . . . . . . . . . 6436 1 430 . 1 1 48 48 GLY N N 15 110.3 . . . . . . . . . . . 6436 1 431 . 1 1 49 49 GLN H H 1 8.17 . . . . . . . . . . . 6436 1 432 . 1 1 49 49 GLN HA H 1 4.28 . . . . . . . . . . . 6436 1 433 . 1 1 49 49 GLN HB2 H 1 2.09 . . . . . . . . . . . 6436 1 434 . 1 1 49 49 GLN HB3 H 1 1.92 . . . . . . . . . . . 6436 1 435 . 1 1 49 49 GLN HG2 H 1 2.34 . . . . . . . . . . . 6436 1 436 . 1 1 49 49 GLN HG3 H 1 2.34 . . . . . . . . . . . 6436 1 437 . 1 1 49 49 GLN CA C 13 56.16 . . . . . . . . . . . 6436 1 438 . 1 1 49 49 GLN CB C 13 30.91 . . . . . . . . . . . 6436 1 439 . 1 1 49 49 GLN N N 15 120.5 . . . . . . . . . . . 6436 1 440 . 1 1 50 50 PRO HA H 1 4.39 . . . . . . . . . . . 6436 1 441 . 1 1 50 50 PRO HB2 H 1 2.28 . . . . . . . . . . . 6436 1 442 . 1 1 50 50 PRO HB3 H 1 1.88 . . . . . . . . . . . 6436 1 443 . 1 1 50 50 PRO HG2 H 1 2.01 . . . . . . . . . . . 6436 1 444 . 1 1 50 50 PRO HG3 H 1 2.01 . . . . . . . . . . . 6436 1 445 . 1 1 50 50 PRO HD2 H 1 3.94 . . . . . . . . . . . 6436 1 446 . 1 1 50 50 PRO HD3 H 1 3.94 . . . . . . . . . . . 6436 1 447 . 1 1 50 50 PRO C C 13 176.80 . . . . . . . . . . . 6436 1 448 . 1 1 51 51 GLN H H 1 8.45 . . . . . . . . . . . 6436 1 449 . 1 1 51 51 GLN HA H 1 4.22 . . . . . . . . . . . 6436 1 450 . 1 1 51 51 GLN HB2 H 1 2.02 . . . . . . . . . . . 6436 1 451 . 1 1 51 51 GLN HB3 H 1 1.91 . . . . . . . . . . . 6436 1 452 . 1 1 51 51 GLN HG2 H 1 2.35 . . . . . . . . . . . 6436 1 453 . 1 1 51 51 GLN HG3 H 1 2.35 . . . . . . . . . . . 6436 1 454 . 1 1 51 51 GLN C C 13 174.30 . . . . . . . . . . . 6436 1 455 . 1 1 51 51 GLN CA C 13 55.71 . . . . . . . . . . . 6436 1 456 . 1 1 51 51 GLN CB C 13 29.49 . . . . . . . . . . . 6436 1 457 . 1 1 51 51 GLN CG C 13 33.26 . . . . . . . . . . . 6436 1 458 . 1 1 51 51 GLN N N 15 120.4 . . . . . . . . . . . 6436 1 459 . 1 1 52 52 ALA H H 1 8.23 . . . . . . . . . . . 6436 1 460 . 1 1 52 52 ALA HA H 1 4.21 . . . . . . . . . . . 6436 1 461 . 1 1 52 52 ALA HB1 H 1 1.25 . . . . . . . . . . . 6436 1 462 . 1 1 52 52 ALA HB2 H 1 1.25 . . . . . . . . . . . 6436 1 463 . 1 1 52 52 ALA HB3 H 1 1.25 . . . . . . . . . . . 6436 1 464 . 1 1 52 52 ALA C C 13 176.60 . . . . . . . . . . . 6436 1 465 . 1 1 52 52 ALA CA C 13 52.43 . . . . . . . . . . . 6436 1 466 . 1 1 52 52 ALA CB C 13 19.53 . . . . . . . . . . . 6436 1 467 . 1 1 52 52 ALA N N 15 124.9 . . . . . . . . . . . 6436 1 468 . 1 1 53 53 TYR H H 1 8.00 . . . . . . . . . . . 6436 1 469 . 1 1 53 53 TYR HA H 1 4.48 . . . . . . . . . . . 6436 1 470 . 1 1 53 53 TYR HB2 H 1 2.85 . . . . . . . . . . . 6436 1 471 . 1 1 53 53 TYR HB3 H 1 2.85 . . . . . . . . . . . 6436 1 472 . 1 1 53 53 TYR C C 13 174.60 . . . . . . . . . . . 6436 1 473 . 1 1 53 53 TYR CA C 13 57.60 . . . . . . . . . . . 6436 1 474 . 1 1 53 53 TYR CB C 13 39.26 . . . . . . . . . . . 6436 1 475 . 1 1 53 53 TYR N N 15 119.5 . . . . . . . . . . . 6436 1 476 . 1 1 54 54 TYR H H 1 7.96 . . . . . . . . . . . 6436 1 477 . 1 1 54 54 TYR HA H 1 4.72 . . . . . . . . . . . 6436 1 478 . 1 1 54 54 TYR HB2 H 1 2.91 . . . . . . . . . . . 6436 1 479 . 1 1 54 54 TYR HB3 H 1 2.70 . . . . . . . . . . . 6436 1 480 . 1 1 54 54 TYR CA C 13 55.22 . . . . . . . . . . . 6436 1 481 . 1 1 54 54 TYR CB C 13 38.71 . . . . . . . . . . . 6436 1 482 . 1 1 54 54 TYR N N 15 123.9 . . . . . . . . . . . 6436 1 483 . 1 1 56 56 ARG H H 1 8.39 . . . . . . . . . . . 6436 1 484 . 1 1 56 56 ARG HA H 1 4.30 . . . . . . . . . . . 6436 1 485 . 1 1 56 56 ARG HB2 H 1 1.84 . . . . . . . . . . . 6436 1 486 . 1 1 56 56 ARG HB3 H 1 1.75 . . . . . . . . . . . 6436 1 487 . 1 1 56 56 ARG HG2 H 1 1.64 . . . . . . . . . . . 6436 1 488 . 1 1 56 56 ARG HG3 H 1 1.64 . . . . . . . . . . . 6436 1 489 . 1 1 56 56 ARG HD2 H 1 3.18 . . . . . . . . . . . 6436 1 490 . 1 1 56 56 ARG HD3 H 1 3.18 . . . . . . . . . . . 6436 1 491 . 1 1 56 56 ARG C C 13 176.90 . . . . . . . . . . . 6436 1 492 . 1 1 56 56 ARG CA C 13 56.42 . . . . . . . . . . . 6436 1 493 . 1 1 56 56 ARG CB C 13 30.91 . . . . . . . . . . . 6436 1 494 . 1 1 56 56 ARG CG C 13 27.27 . . . . . . . . . . . 6436 1 495 . 1 1 56 56 ARG CD C 13 43.57 . . . . . . . . . . . 6436 1 496 . 1 1 56 56 ARG N N 15 120.9 . . . . . . . . . . . 6436 1 497 . 1 1 57 57 GLY H H 1 8.40 . . . . . . . . . . . 6436 1 498 . 1 1 57 57 GLY HA2 H 1 3.91 . . . . . . . . . . . 6436 1 499 . 1 1 57 57 GLY C C 13 174.30 . . . . . . . . . . . 6436 1 500 . 1 1 57 57 GLY CA C 13 45.52 . . . . . . . . . . . 6436 1 501 . 1 1 57 57 GLY N N 15 109.6 . . . . . . . . . . . 6436 1 502 . 1 1 58 58 HIS H H 1 8.37 . . . . . . . . . . . 6436 1 503 . 1 1 58 58 HIS HA H 1 4.62 . . . . . . . . . . . 6436 1 504 . 1 1 58 58 HIS HB2 H 1 3.21 . . . . . . . . . . . 6436 1 505 . 1 1 58 58 HIS HB3 H 1 3.09 . . . . . . . . . . . 6436 1 506 . 1 1 58 58 HIS C C 13 175.20 . . . . . . . . . . . 6436 1 507 . 1 1 58 58 HIS CA C 13 55.56 . . . . . . . . . . . 6436 1 508 . 1 1 58 58 HIS CB C 13 30.03 . . . . . . . . . . . 6436 1 509 . 1 1 58 58 HIS N N 15 118.6 . . . . . . . . . . . 6436 1 510 . 1 1 59 59 GLY H H 1 8.50 . . . . . . . . . . . 6436 1 511 . 1 1 59 59 GLY HA2 H 1 3.87 . . . . . . . . . . . 6436 1 512 . 1 1 59 59 GLY C C 13 176.30 . . . . . . . . . . . 6436 1 513 . 1 1 59 59 GLY CA C 13 45.25 . . . . . . . . . . . 6436 1 514 . 1 1 59 59 GLY N N 15 109.9 . . . . . . . . . . . 6436 1 515 . 1 1 60 60 HIS H H 1 8.42 . . . . . . . . . . . 6436 1 516 . 1 1 60 60 HIS HA H 1 4.68 . . . . . . . . . . . 6436 1 517 . 1 1 60 60 HIS HB2 H 1 3.22 . . . . . . . . . . . 6436 1 518 . 1 1 60 60 HIS HB3 H 1 3.10 . . . . . . . . . . . 6436 1 519 . 1 1 60 60 HIS C C 13 175.30 . . . . . . . . . . . 6436 1 520 . 1 1 60 60 HIS CA C 13 55.66 . . . . . . . . . . . 6436 1 521 . 1 1 60 60 HIS CB C 13 29.52 . . . . . . . . . . . 6436 1 522 . 1 1 60 60 HIS N N 15 118.7 . . . . . . . . . . . 6436 1 523 . 1 1 61 61 GLY H H 1 8.57 . . . . . . . . . . . 6436 1 524 . 1 1 61 61 GLY HA2 H 1 3.97 . . . . . . . . . . . 6436 1 525 . 1 1 61 61 GLY HA3 H 1 3.97 . . . . . . . . . . . 6436 1 526 . 1 1 61 61 GLY C C 13 174.60 . . . . . . . . . . . 6436 1 527 . 1 1 61 61 GLY CA C 13 45.42 . . . . . . . . . . . 6436 1 528 . 1 1 61 61 GLY N N 15 110.4 . . . . . . . . . . . 6436 1 529 . 1 1 62 62 GLY H H 1 8.38 . . . . . . . . . . . 6436 1 530 . 1 1 62 62 GLY HA2 H 1 3.96 . . . . . . . . . . . 6436 1 531 . 1 1 62 62 GLY HA3 H 1 3.96 . . . . . . . . . . . 6436 1 532 . 1 1 62 62 GLY C C 13 174.70 . . . . . . . . . . . 6436 1 533 . 1 1 62 62 GLY CA C 13 45.32 . . . . . . . . . . . 6436 1 534 . 1 1 62 62 GLY N N 15 108.9 . . . . . . . . . . . 6436 1 535 . 1 1 63 63 GLY H H 1 8.36 . . . . . . . . . . . 6436 1 536 . 1 1 63 63 GLY HA2 H 1 3.96 . . . . . . . . . . . 6436 1 537 . 1 1 63 63 GLY HA3 H 1 3.96 . . . . . . . . . . . 6436 1 538 . 1 1 63 63 GLY C C 13 174.20 . . . . . . . . . . . 6436 1 539 . 1 1 63 63 GLY CA C 13 45.22 . . . . . . . . . . . 6436 1 540 . 1 1 63 63 GLY N N 15 108.9 . . . . . . . . . . . 6436 1 541 . 1 1 64 64 LEU H H 1 8.26 . . . . . . . . . . . 6436 1 542 . 1 1 64 64 LEU HA H 1 4.33 . . . . . . . . . . . 6436 1 543 . 1 1 64 64 LEU HB2 H 1 1.61 . . . . . . . . . . . 6436 1 544 . 1 1 64 64 LEU HB3 H 1 1.61 . . . . . . . . . . . 6436 1 545 . 1 1 64 64 LEU HG H 1 1.61 . . . . . . . . . . . 6436 1 546 . 1 1 64 64 LEU HD11 H 1 0.88 . . . . . . . . . . . 6436 1 547 . 1 1 64 64 LEU HD12 H 1 0.88 . . . . . . . . . . . 6436 1 548 . 1 1 64 64 LEU HD13 H 1 0.88 . . . . . . . . . . . 6436 1 549 . 1 1 64 64 LEU HD21 H 1 0.88 . . . . . . . . . . . 6436 1 550 . 1 1 64 64 LEU HD22 H 1 0.88 . . . . . . . . . . . 6436 1 551 . 1 1 64 64 LEU HD23 H 1 0.88 . . . . . . . . . . . 6436 1 552 . 1 1 64 64 LEU C C 13 178.00 . . . . . . . . . . . 6436 1 553 . 1 1 64 64 LEU CA C 13 55.36 . . . . . . . . . . . 6436 1 554 . 1 1 64 64 LEU CB C 13 42.44 . . . . . . . . . . . 6436 1 555 . 1 1 64 64 LEU N N 15 121.6 . . . . . . . . . . . 6436 1 556 . 1 1 65 65 GLY H H 1 8.51 . . . . . . . . . . . 6436 1 557 . 1 1 65 65 GLY HA2 H 1 3.93 . . . . . . . . . . . 6436 1 558 . 1 1 65 65 GLY HA3 H 1 3.93 . . . . . . . . . . . 6436 1 559 . 1 1 65 65 GLY C C 13 173.90 . . . . . . . . . . . 6436 1 560 . 1 1 65 65 GLY CA C 13 45.42 . . . . . . . . . . . 6436 1 561 . 1 1 65 65 GLY N N 15 109.9 . . . . . . . . . . . 6436 1 562 . 1 1 66 66 GLU H H 1 8.27 . . . . . . . . . . . 6436 1 563 . 1 1 66 66 GLU HA H 1 4.30 . . . . . . . . . . . 6436 1 564 . 1 1 66 66 GLU HB2 H 1 2.05 . . . . . . . . . . . 6436 1 565 . 1 1 66 66 GLU HB3 H 1 1.92 . . . . . . . . . . . 6436 1 566 . 1 1 66 66 GLU HG2 H 1 2.24 . . . . . . . . . . . 6436 1 567 . 1 1 66 66 GLU HG3 H 1 2.24 . . . . . . . . . . . 6436 1 568 . 1 1 66 66 GLU C C 13 176.90 . . . . . . . . . . . 6436 1 569 . 1 1 66 66 GLU CA C 13 56.60 . . . . . . . . . . . 6436 1 570 . 1 1 66 66 GLU CB C 13 30.41 . . . . . . . . . . . 6436 1 571 . 1 1 66 66 GLU N N 15 120.5 . . . . . . . . . . . 6436 1 572 . 1 1 67 67 GLY H H 1 8.45 . . . . . . . . . . . 6436 1 573 . 1 1 67 67 GLY HA2 H 1 3.93 . . . . . . . . . . . 6436 1 574 . 1 1 67 67 GLY C C 13 173.70 . . . . . . . . . . . 6436 1 575 . 1 1 67 67 GLY CA C 13 45.13 . . . . . . . . . . . 6436 1 576 . 1 1 67 67 GLY N N 15 109.9 . . . . . . . . . . . 6436 1 577 . 1 1 68 68 GLU H H 1 8.21 . . . . . . . . . . . 6436 1 578 . 1 1 68 68 GLU HA H 1 4.55 . . . . . . . . . . . 6436 1 579 . 1 1 68 68 GLU HB2 H 1 2.05 . . . . . . . . . . . 6436 1 580 . 1 1 68 68 GLU HB3 H 1 1.85 . . . . . . . . . . . 6436 1 581 . 1 1 68 68 GLU HG2 H 1 2.26 . . . . . . . . . . . 6436 1 582 . 1 1 68 68 GLU HG3 H 1 2.26 . . . . . . . . . . . 6436 1 583 . 1 1 68 68 GLU CA C 13 54.37 . . . . . . . . . . . 6436 1 584 . 1 1 68 68 GLU CB C 13 29.92 . . . . . . . . . . . 6436 1 585 . 1 1 68 68 GLU N N 15 121.5 . . . . . . . . . . . 6436 1 586 . 1 1 69 69 PRO HA H 1 4.40 . . . . . . . . . . . 6436 1 587 . 1 1 69 69 PRO HB2 H 1 2.26 . . . . . . . . . . . 6436 1 588 . 1 1 69 69 PRO HB3 H 1 1.91 . . . . . . . . . . . 6436 1 589 . 1 1 69 69 PRO HG2 H 1 2.00 . . . . . . . . . . . 6436 1 590 . 1 1 69 69 PRO HG3 H 1 2.00 . . . . . . . . . . . 6436 1 591 . 1 1 69 69 PRO HD2 H 1 3.95 . . . . . . . . . . . 6436 1 592 . 1 1 69 69 PRO HD3 H 1 3.95 . . . . . . . . . . . 6436 1 593 . 1 1 69 69 PRO C C 13 176.70 . . . . . . . . . . . 6436 1 594 . 1 1 69 69 PRO CA C 13 63.57 . . . . . . . . . . . 6436 1 595 . 1 1 69 69 PRO CB C 13 31.51 . . . . . . . . . . . 6436 1 596 . 1 1 69 69 PRO CG C 13 27.74 . . . . . . . . . . . 6436 1 597 . 1 1 69 69 PRO CD C 13 50.71 . . . . . . . . . . . 6436 1 598 . 1 1 70 70 ASP H H 1 8.42 . . . . . . . . . . . 6436 1 599 . 1 1 70 70 ASP HA H 1 4.56 . . . . . . . . . . . 6436 1 600 . 1 1 70 70 ASP HB2 H 1 2.68 . . . . . . . . . . . 6436 1 601 . 1 1 70 70 ASP HB3 H 1 2.68 . . . . . . . . . . . 6436 1 602 . 1 1 70 70 ASP C C 13 176.90 . . . . . . . . . . . 6436 1 603 . 1 1 70 70 ASP CA C 13 56.77 . . . . . . . . . . . 6436 1 604 . 1 1 70 70 ASP CB C 13 41.28 . . . . . . . . . . . 6436 1 605 . 1 1 70 70 ASP N N 15 120.3 . . . . . . . . . . . 6436 1 606 . 1 1 71 71 GLY H H 1 8.32 . . . . . . . . . . . 6436 1 607 . 1 1 71 71 GLY HA2 H 1 3.91 . . . . . . . . . . . 6436 1 608 . 1 1 71 71 GLY C C 13 174.30 . . . . . . . . . . . 6436 1 609 . 1 1 71 71 GLY CA C 13 45.56 . . . . . . . . . . . 6436 1 610 . 1 1 71 71 GLY N N 15 109.3 . . . . . . . . . . . 6436 1 611 . 1 1 72 72 HIS H H 1 8.35 . . . . . . . . . . . 6436 1 612 . 1 1 72 72 HIS HA H 1 4.60 . . . . . . . . . . . 6436 1 613 . 1 1 72 72 HIS HB2 H 1 3.19 . . . . . . . . . . . 6436 1 614 . 1 1 72 72 HIS HB3 H 1 3.19 . . . . . . . . . . . 6436 1 615 . 1 1 72 72 HIS C C 13 174.30 . . . . . . . . . . . 6436 1 616 . 1 1 72 72 HIS CA C 13 56.16 . . . . . . . . . . . 6436 1 617 . 1 1 72 72 HIS CB C 13 29.29 . . . . . . . . . . . 6436 1 618 . 1 1 72 72 HIS N N 15 118.4 . . . . . . . . . . . 6436 1 619 . 1 1 73 73 ALA H H 1 8.32 . . . . . . . . . . . 6436 1 620 . 1 1 73 73 ALA HA H 1 4.27 . . . . . . . . . . . 6436 1 621 . 1 1 73 73 ALA HB1 H 1 1.35 . . . . . . . . . . . 6436 1 622 . 1 1 73 73 ALA HB2 H 1 1.35 . . . . . . . . . . . 6436 1 623 . 1 1 73 73 ALA HB3 H 1 1.35 . . . . . . . . . . . 6436 1 624 . 1 1 73 73 ALA C C 13 177.70 . . . . . . . . . . . 6436 1 625 . 1 1 73 73 ALA CA C 13 52.79 . . . . . . . . . . . 6436 1 626 . 1 1 73 73 ALA CB C 13 19.33 . . . . . . . . . . . 6436 1 627 . 1 1 73 73 ALA N N 15 124.9 . . . . . . . . . . . 6436 1 628 . 1 1 74 74 GLU H H 1 8.50 . . . . . . . . . . . 6436 1 629 . 1 1 74 74 GLU HA H 1 4.29 . . . . . . . . . . . 6436 1 630 . 1 1 74 74 GLU HB2 H 1 2.05 . . . . . . . . . . . 6436 1 631 . 1 1 74 74 GLU HB3 H 1 1.92 . . . . . . . . . . . 6436 1 632 . 1 1 74 74 GLU HG2 H 1 2.32 . . . . . . . . . . . 6436 1 633 . 1 1 74 74 GLU HG3 H 1 2.32 . . . . . . . . . . . 6436 1 634 . 1 1 74 74 GLU C C 13 176.70 . . . . . . . . . . . 6436 1 635 . 1 1 74 74 GLU CA C 13 56.09 . . . . . . . . . . . 6436 1 636 . 1 1 74 74 GLU CB C 13 29.36 . . . . . . . . . . . 6436 1 637 . 1 1 74 74 GLU CG C 13 33.40 . . . . . . . . . . . 6436 1 638 . 1 1 74 74 GLU N N 15 120.2 . . . . . . . . . . . 6436 1 639 . 1 1 75 75 ARG H H 1 8.32 . . . . . . . . . . . 6436 1 640 . 1 1 75 75 ARG HA H 1 4.30 . . . . . . . . . . . 6436 1 641 . 1 1 75 75 ARG HB2 H 1 1.96 . . . . . . . . . . . 6436 1 642 . 1 1 75 75 ARG HB3 H 1 1.84 . . . . . . . . . . . 6436 1 643 . 1 1 75 75 ARG HG2 H 1 1.62 . . . . . . . . . . . 6436 1 644 . 1 1 75 75 ARG HG3 H 1 1.62 . . . . . . . . . . . 6436 1 645 . 1 1 75 75 ARG HD2 H 1 3.18 . . . . . . . . . . . 6436 1 646 . 1 1 75 75 ARG HD3 H 1 3.18 . . . . . . . . . . . 6436 1 647 . 1 1 75 75 ARG C C 13 176.10 . . . . . . . . . . . 6436 1 648 . 1 1 75 75 ARG CA C 13 56.16 . . . . . . . . . . . 6436 1 649 . 1 1 75 75 ARG CB C 13 30.84 . . . . . . . . . . . 6436 1 650 . 1 1 75 75 ARG CG C 13 27.34 . . . . . . . . . . . 6436 1 651 . 1 1 75 75 ARG CD C 13 43.50 . . . . . . . . . . . 6436 1 652 . 1 1 75 75 ARG N N 15 121.4 . . . . . . . . . . . 6436 1 653 . 1 1 76 76 ASP H H 1 8.35 . . . . . . . . . . . 6436 1 654 . 1 1 76 76 ASP HA H 1 4.58 . . . . . . . . . . . 6436 1 655 . 1 1 76 76 ASP HB2 H 1 2.69 . . . . . . . . . . . 6436 1 656 . 1 1 76 76 ASP HB3 H 1 2.69 . . . . . . . . . . . 6436 1 657 . 1 1 76 76 ASP C C 13 176.80 . . . . . . . . . . . 6436 1 658 . 1 1 76 76 ASP CA C 13 56.70 . . . . . . . . . . . 6436 1 659 . 1 1 76 76 ASP CB C 13 41.30 . . . . . . . . . . . 6436 1 660 . 1 1 76 76 ASP N N 15 121.1 . . . . . . . . . . . 6436 1 661 . 1 1 77 77 GLY H H 1 8.36 . . . . . . . . . . . 6436 1 662 . 1 1 77 77 GLY HA2 H 1 3.93 . . . . . . . . . . . 6436 1 663 . 1 1 77 77 GLY HA3 H 1 3.93 . . . . . . . . . . . 6436 1 664 . 1 1 77 77 GLY C C 13 174.30 . . . . . . . . . . . 6436 1 665 . 1 1 77 77 GLY CA C 13 45.48 . . . . . . . . . . . 6436 1 666 . 1 1 77 77 GLY N N 15 109.1 . . . . . . . . . . . 6436 1 667 . 1 1 78 78 GLN H H 1 8.22 . . . . . . . . . . . 6436 1 668 . 1 1 78 78 GLN HA H 1 4.38 . . . . . . . . . . . 6436 1 669 . 1 1 78 78 GLN HB2 H 1 2.11 . . . . . . . . . . . 6436 1 670 . 1 1 78 78 GLN HB3 H 1 2.00 . . . . . . . . . . . 6436 1 671 . 1 1 78 78 GLN HG2 H 1 2.33 . . . . . . . . . . . 6436 1 672 . 1 1 78 78 GLN HG3 H 1 2.33 . . . . . . . . . . . 6436 1 673 . 1 1 78 78 GLN C C 13 176.30 . . . . . . . . . . . 6436 1 674 . 1 1 78 78 GLN CA C 13 55.86 . . . . . . . . . . . 6436 1 675 . 1 1 78 78 GLN CB C 13 29.57 . . . . . . . . . . . 6436 1 676 . 1 1 78 78 GLN CG C 13 33.53 . . . . . . . . . . . 6436 1 677 . 1 1 78 78 GLN N N 15 119.5 . . . . . . . . . . . 6436 1 678 . 1 1 79 79 THR H H 1 8.20 . . . . . . . . . . . 6436 1 679 . 1 1 79 79 THR HA H 1 4.29 . . . . . . . . . . . 6436 1 680 . 1 1 79 79 THR HB H 1 4.16 . . . . . . . . . . . 6436 1 681 . 1 1 79 79 THR HG21 H 1 1.18 . . . . . . . . . . . 6436 1 682 . 1 1 79 79 THR HG22 H 1 1.18 . . . . . . . . . . . 6436 1 683 . 1 1 79 79 THR HG23 H 1 1.18 . . . . . . . . . . . 6436 1 684 . 1 1 79 79 THR C C 13 174.30 . . . . . . . . . . . 6436 1 685 . 1 1 79 79 THR CA C 13 62.02 . . . . . . . . . . . 6436 1 686 . 1 1 79 79 THR CB C 13 69.88 . . . . . . . . . . . 6436 1 687 . 1 1 79 79 THR N N 15 115.3 . . . . . . . . . . . 6436 1 688 . 1 1 80 80 GLN H H 1 8.39 . . . . . . . . . . . 6436 1 689 . 1 1 80 80 GLN HA H 1 4.61 . . . . . . . . . . . 6436 1 690 . 1 1 80 80 GLN HB2 H 1 2.01 . . . . . . . . . . . 6436 1 691 . 1 1 80 80 GLN HB3 H 1 1.93 . . . . . . . . . . . 6436 1 692 . 1 1 80 80 GLN HG2 H 1 2.37 . . . . . . . . . . . 6436 1 693 . 1 1 80 80 GLN HG3 H 1 2.37 . . . . . . . . . . . 6436 1 694 . 1 1 80 80 GLN CA C 13 53.67 . . . . . . . . . . . 6436 1 695 . 1 1 80 80 GLN CB C 13 29.16 . . . . . . . . . . . 6436 1 696 . 1 1 80 80 GLN N N 15 123.7 . . . . . . . . . . . 6436 1 697 . 1 1 81 81 PRO HA H 1 4.31 . . . . . . . . . . . 6436 1 698 . 1 1 81 81 PRO HB2 H 1 2.14 . . . . . . . . . . . 6436 1 699 . 1 1 81 81 PRO HB3 H 1 1.67 . . . . . . . . . . . 6436 1 700 . 1 1 81 81 PRO HG2 H 1 1.96 . . . . . . . . . . . 6436 1 701 . 1 1 81 81 PRO HG3 H 1 1.96 . . . . . . . . . . . 6436 1 702 . 1 1 81 81 PRO C C 13 176.30 . . . . . . . . . . . 6436 1 703 . 1 1 81 81 PRO CA C 13 63.21 . . . . . . . . . . . 6436 1 704 . 1 1 81 81 PRO CB C 13 31.71 . . . . . . . . . . . 6436 1 705 . 1 1 81 81 PRO CG C 13 27.61 . . . . . . . . . . . 6436 1 706 . 1 1 81 81 PRO CD C 13 50.71 . . . . . . . . . . . 6436 1 707 . 1 1 82 82 ASN H H 1 8.41 . . . . . . . . . . . 6436 1 708 . 1 1 82 82 ASN HA H 1 4.62 . . . . . . . . . . . 6436 1 709 . 1 1 82 82 ASN HB2 H 1 2.73 . . . . . . . . . . . 6436 1 710 . 1 1 82 82 ASN HB3 H 1 2.73 . . . . . . . . . . . 6436 1 711 . 1 1 82 82 ASN C C 13 173.70 . . . . . . . . . . . 6436 1 712 . 1 1 82 82 ASN CA C 13 53.04 . . . . . . . . . . . 6436 1 713 . 1 1 82 82 ASN CB C 13 38.90 . . . . . . . . . . . 6436 1 714 . 1 1 82 82 ASN N N 15 118.3 . . . . . . . . . . . 6436 1 715 . 1 1 83 83 PHE H H 1 8.20 . . . . . . . . . . . 6436 1 716 . 1 1 83 83 PHE HA H 1 4.58 . . . . . . . . . . . 6436 1 717 . 1 1 83 83 PHE HB2 H 1 3.16 . . . . . . . . . . . 6436 1 718 . 1 1 83 83 PHE HB3 H 1 3.02 . . . . . . . . . . . 6436 1 719 . 1 1 83 83 PHE C C 13 176.80 . . . . . . . . . . . 6436 1 720 . 1 1 83 83 PHE CA C 13 56.70 . . . . . . . . . . . 6436 1 721 . 1 1 83 83 PHE CB C 13 39.36 . . . . . . . . . . . 6436 1 722 . 1 1 83 83 PHE N N 15 120.9 . . . . . . . . . . . 6436 1 723 . 1 1 84 84 GLY H H 1 8.35 . . . . . . . . . . . 6436 1 724 . 1 1 84 84 GLY HA2 H 1 3.89 . . . . . . . . . . . 6436 1 725 . 1 1 84 84 GLY HA3 H 1 3.89 . . . . . . . . . . . 6436 1 726 . 1 1 84 84 GLY C C 13 174.10 . . . . . . . . . . . 6436 1 727 . 1 1 84 84 GLY CA C 13 45.48 . . . . . . . . . . . 6436 1 728 . 1 1 84 84 GLY N N 15 110.2 . . . . . . . . . . . 6436 1 729 . 1 1 85 85 GLN H H 1 8.19 . . . . . . . . . . . 6436 1 730 . 1 1 85 85 GLN HA H 1 4.37 . . . . . . . . . . . 6436 1 731 . 1 1 85 85 GLN HB2 H 1 2.14 . . . . . . . . . . . 6436 1 732 . 1 1 85 85 GLN HB3 H 1 1.98 . . . . . . . . . . . 6436 1 733 . 1 1 85 85 GLN HG2 H 1 2.35 . . . . . . . . . . . 6436 1 734 . 1 1 85 85 GLN HG3 H 1 2.35 . . . . . . . . . . . 6436 1 735 . 1 1 85 85 GLN C C 13 176.20 . . . . . . . . . . . 6436 1 736 . 1 1 85 85 GLN CA C 13 55.96 . . . . . . . . . . . 6436 1 737 . 1 1 85 85 GLN CB C 13 29.47 . . . . . . . . . . . 6436 1 738 . 1 1 85 85 GLN CG C 13 33.47 . . . . . . . . . . . 6436 1 739 . 1 1 85 85 GLN N N 15 119.7 . . . . . . . . . . . 6436 1 740 . 1 1 86 86 SER H H 1 8.43 . . . . . . . . . . . 6436 1 741 . 1 1 86 86 SER HA H 1 4.43 . . . . . . . . . . . 6436 1 742 . 1 1 86 86 SER HB2 H 1 3.89 . . . . . . . . . . . 6436 1 743 . 1 1 86 86 SER HB3 H 1 3.89 . . . . . . . . . . . 6436 1 744 . 1 1 86 86 SER C C 13 175.10 . . . . . . . . . . . 6436 1 745 . 1 1 86 86 SER CA C 13 58.64 . . . . . . . . . . . 6436 1 746 . 1 1 86 86 SER CB C 13 63.86 . . . . . . . . . . . 6436 1 747 . 1 1 86 86 SER N N 15 116.9 . . . . . . . . . . . 6436 1 748 . 1 1 87 87 GLY H H 1 8.43 . . . . . . . . . . . 6436 1 749 . 1 1 87 87 GLY HA2 H 1 3.99 . . . . . . . . . . . 6436 1 750 . 1 1 87 87 GLY HA3 H 1 3.99 . . . . . . . . . . . 6436 1 751 . 1 1 87 87 GLY C C 13 174.20 . . . . . . . . . . . 6436 1 752 . 1 1 87 87 GLY CA C 13 45.42 . . . . . . . . . . . 6436 1 753 . 1 1 87 87 GLY N N 15 110.7 . . . . . . . . . . . 6436 1 754 . 1 1 88 88 THR H H 1 8.00 . . . . . . . . . . . 6436 1 755 . 1 1 88 88 THR HA H 1 4.25 . . . . . . . . . . . 6436 1 756 . 1 1 88 88 THR HB H 1 4.11 . . . . . . . . . . . 6436 1 757 . 1 1 88 88 THR HG21 H 1 1.09 . . . . . . . . . . . 6436 1 758 . 1 1 88 88 THR HG22 H 1 1.09 . . . . . . . . . . . 6436 1 759 . 1 1 88 88 THR HG23 H 1 1.09 . . . . . . . . . . . 6436 1 760 . 1 1 88 88 THR C C 13 174.30 . . . . . . . . . . . 6436 1 761 . 1 1 88 88 THR CA C 13 61.82 . . . . . . . . . . . 6436 1 762 . 1 1 88 88 THR CB C 13 69.83 . . . . . . . . . . . 6436 1 763 . 1 1 88 88 THR N N 15 113.5 . . . . . . . . . . . 6436 1 764 . 1 1 89 89 TYR H H 1 8.22 . . . . . . . . . . . 6436 1 765 . 1 1 89 89 TYR HA H 1 4.52 . . . . . . . . . . . 6436 1 766 . 1 1 89 89 TYR HB2 H 1 3.06 . . . . . . . . . . . 6436 1 767 . 1 1 89 89 TYR HB3 H 1 2.93 . . . . . . . . . . . 6436 1 768 . 1 1 89 89 TYR C C 13 176.30 . . . . . . . . . . . 6436 1 769 . 1 1 89 89 TYR CA C 13 58.15 . . . . . . . . . . . 6436 1 770 . 1 1 89 89 TYR CB C 13 38.86 . . . . . . . . . . . 6436 1 771 . 1 1 89 89 TYR N N 15 122.5 . . . . . . . . . . . 6436 1 772 . 1 1 90 90 GLY H H 1 8.31 . . . . . . . . . . . 6436 1 773 . 1 1 90 90 GLY HA2 H 1 3.91 . . . . . . . . . . . 6436 1 774 . 1 1 90 90 GLY HA3 H 1 3.91 . . . . . . . . . . . 6436 1 775 . 1 1 90 90 GLY C C 13 174.00 . . . . . . . . . . . 6436 1 776 . 1 1 90 90 GLY CA C 13 45.42 . . . . . . . . . . . 6436 1 777 . 1 1 90 90 GLY N N 15 110.7 . . . . . . . . . . . 6436 1 778 . 1 1 91 91 LYS H H 1 8.11 . . . . . . . . . . . 6436 1 779 . 1 1 91 91 LYS HA H 1 4.30 . . . . . . . . . . . 6436 1 780 . 1 1 91 91 LYS HB2 H 1 1.82 . . . . . . . . . . . 6436 1 781 . 1 1 91 91 LYS HB3 H 1 1.82 . . . . . . . . . . . 6436 1 782 . 1 1 91 91 LYS HG2 H 1 1.62 . . . . . . . . . . . 6436 1 783 . 1 1 91 91 LYS HG3 H 1 1.62 . . . . . . . . . . . 6436 1 784 . 1 1 91 91 LYS HD2 H 1 2.28 . . . . . . . . . . . 6436 1 785 . 1 1 91 91 LYS HD3 H 1 2.28 . . . . . . . . . . . 6436 1 786 . 1 1 91 91 LYS C C 13 176.20 . . . . . . . . . . . 6436 1 787 . 1 1 91 91 LYS CA C 13 56.95 . . . . . . . . . . . 6436 1 788 . 1 1 91 91 LYS CB C 13 30.51 . . . . . . . . . . . 6436 1 789 . 1 1 91 91 LYS CG C 13 27.27 . . . . . . . . . . . 6436 1 790 . 1 1 91 91 LYS CD C 13 29.76 . . . . . . . . . . . 6436 1 791 . 1 1 91 91 LYS CE C 13 43.50 . . . . . . . . . . . 6436 1 792 . 1 1 91 91 LYS N N 15 120.8 . . . . . . . . . . . 6436 1 793 . 1 1 92 92 GLN H H 1 8.35 . . . . . . . . . . . 6436 1 794 . 1 1 92 92 GLN HA H 1 4.27 . . . . . . . . . . . 6436 1 795 . 1 1 92 92 GLN HB2 H 1 1.89 . . . . . . . . . . . 6436 1 796 . 1 1 92 92 GLN HB3 H 1 1.81 . . . . . . . . . . . 6436 1 797 . 1 1 92 92 GLN HG2 H 1 3.18 . . . . . . . . . . . 6436 1 798 . 1 1 92 92 GLN HG3 H 1 3.18 . . . . . . . . . . . 6436 1 799 . 1 1 92 92 GLN C C 13 176.20 . . . . . . . . . . . 6436 1 800 . 1 1 92 92 GLN CA C 13 56.70 . . . . . . . . . . . 6436 1 801 . 1 1 92 92 GLN CB C 13 30.52 . . . . . . . . . . . 6436 1 802 . 1 1 92 92 GLN N N 15 120.8 . . . . . . . . . . . 6436 1 803 . 1 1 93 93 ASP H H 1 8.35 . . . . . . . . . . . 6436 1 804 . 1 1 93 93 ASP CA C 13 54.54 . . . . . . . . . . . 6436 1 805 . 1 1 93 93 ASP CB C 13 41.41 . . . . . . . . . . . 6436 1 806 . 1 1 93 93 ASP N N 15 121.5 . . . . . . . . . . . 6436 1 807 . 1 1 95 95 GLN HA H 1 4.27 . . . . . . . . . . . 6436 1 808 . 1 1 95 95 GLN HB2 H 1 2.73 . . . . . . . . . . . 6436 1 809 . 1 1 95 95 GLN HB3 H 1 2.61 . . . . . . . . . . . 6436 1 810 . 1 1 95 95 GLN HG2 H 1 3.11 . . . . . . . . . . . 6436 1 811 . 1 1 95 95 GLN HG3 H 1 3.11 . . . . . . . . . . . 6436 1 812 . 1 1 95 95 GLN C C 13 176.20 . . . . . . . . . . . 6436 1 813 . 1 1 96 96 GLN H H 1 8.42 . . . . . . . . . . . 6436 1 814 . 1 1 96 96 GLN HA H 1 4.27 . . . . . . . . . . . 6436 1 815 . 1 1 96 96 GLN HB2 H 1 2.11 . . . . . . . . . . . 6436 1 816 . 1 1 96 96 GLN HB3 H 1 1.99 . . . . . . . . . . . 6436 1 817 . 1 1 96 96 GLN HG2 H 1 2.38 . . . . . . . . . . . 6436 1 818 . 1 1 96 96 GLN HG3 H 1 2.38 . . . . . . . . . . . 6436 1 819 . 1 1 96 96 GLN C C 13 176.00 . . . . . . . . . . . 6436 1 820 . 1 1 96 96 GLN CA C 13 56.11 . . . . . . . . . . . 6436 1 821 . 1 1 96 96 GLN CB C 13 30.41 . . . . . . . . . . . 6436 1 822 . 1 1 96 96 GLN CG C 13 33.47 . . . . . . . . . . . 6436 1 823 . 1 1 96 96 GLN N N 15 121.2 . . . . . . . . . . . 6436 1 824 . 1 1 97 97 ALA H H 1 8.34 . . . . . . . . . . . 6436 1 825 . 1 1 97 97 ALA CA C 13 52.79 . . . . . . . . . . . 6436 1 826 . 1 1 97 97 ALA CB C 13 19.33 . . . . . . . . . . . 6436 1 827 . 1 1 97 97 ALA N N 15 124.9 . . . . . . . . . . . 6436 1 828 . 1 1 99 99 GLN HA H 1 4.29 . . . . . . . . . . . 6436 1 829 . 1 1 99 99 GLN HB2 H 1 2.05 . . . . . . . . . . . 6436 1 830 . 1 1 99 99 GLN HB3 H 1 1.92 . . . . . . . . . . . 6436 1 831 . 1 1 99 99 GLN HG2 H 1 2.31 . . . . . . . . . . . 6436 1 832 . 1 1 99 99 GLN HG3 H 1 2.31 . . . . . . . . . . . 6436 1 833 . 1 1 99 99 GLN C C 13 176.30 . . . . . . . . . . . 6436 1 834 . 1 1 99 99 GLN CA C 13 56.11 . . . . . . . . . . . 6436 1 835 . 1 1 99 99 GLN CB C 13 29.56 . . . . . . . . . . . 6436 1 836 . 1 1 99 99 GLN CG C 13 33.47 . . . . . . . . . . . 6436 1 837 . 1 1 100 100 ARG H H 1 8.32 . . . . . . . . . . . 6436 1 838 . 1 1 100 100 ARG HA H 1 4.29 . . . . . . . . . . . 6436 1 839 . 1 1 100 100 ARG HB2 H 1 1.83 . . . . . . . . . . . 6436 1 840 . 1 1 100 100 ARG HB3 H 1 1.77 . . . . . . . . . . . 6436 1 841 . 1 1 100 100 ARG HG2 H 1 1.65 . . . . . . . . . . . 6436 1 842 . 1 1 100 100 ARG HG3 H 1 1.65 . . . . . . . . . . . 6436 1 843 . 1 1 100 100 ARG HD2 H 1 3.20 . . . . . . . . . . . 6436 1 844 . 1 1 100 100 ARG HD3 H 1 3.20 . . . . . . . . . . . 6436 1 845 . 1 1 100 100 ARG C C 13 176.00 . . . . . . . . . . . 6436 1 846 . 1 1 100 100 ARG CA C 13 56.13 . . . . . . . . . . . 6436 1 847 . 1 1 100 100 ARG CB C 13 30.97 . . . . . . . . . . . 6436 1 848 . 1 1 100 100 ARG CG C 13 27.27 . . . . . . . . . . . 6436 1 849 . 1 1 100 100 ARG CD C 13 43.70 . . . . . . . . . . . 6436 1 850 . 1 1 100 100 ARG N N 15 122.4 . . . . . . . . . . . 6436 1 851 . 1 1 101 101 ALA H H 1 8.36 . . . . . . . . . . . 6436 1 852 . 1 1 101 101 ALA HA H 1 4.26 . . . . . . . . . . . 6436 1 853 . 1 1 101 101 ALA HB1 H 1 1.38 . . . . . . . . . . . 6436 1 854 . 1 1 101 101 ALA HB2 H 1 1.38 . . . . . . . . . . . 6436 1 855 . 1 1 101 101 ALA HB3 H 1 1.38 . . . . . . . . . . . 6436 1 856 . 1 1 101 101 ALA C C 13 177.90 . . . . . . . . . . . 6436 1 857 . 1 1 101 101 ALA CA C 13 52.73 . . . . . . . . . . . 6436 1 858 . 1 1 101 101 ALA CB C 13 19.12 . . . . . . . . . . . 6436 1 859 . 1 1 101 101 ALA N N 15 125.4 . . . . . . . . . . . 6436 1 860 . 1 1 102 102 ARG H H 1 8.31 . . . . . . . . . . . 6436 1 861 . 1 1 102 102 ARG HA H 1 4.29 . . . . . . . . . . . 6436 1 862 . 1 1 102 102 ARG HB2 H 1 1.83 . . . . . . . . . . . 6436 1 863 . 1 1 102 102 ARG HB3 H 1 1.79 . . . . . . . . . . . 6436 1 864 . 1 1 102 102 ARG HG2 H 1 1.65 . . . . . . . . . . . 6436 1 865 . 1 1 102 102 ARG HG3 H 1 1.65 . . . . . . . . . . . 6436 1 866 . 1 1 102 102 ARG HD2 H 1 3.27 . . . . . . . . . . . 6436 1 867 . 1 1 102 102 ARG HD3 H 1 3.27 . . . . . . . . . . . 6436 1 868 . 1 1 102 102 ARG C C 13 176.10 . . . . . . . . . . . 6436 1 869 . 1 1 102 102 ARG CA C 13 56.11 . . . . . . . . . . . 6436 1 870 . 1 1 102 102 ARG CB C 13 31.13 . . . . . . . . . . . 6436 1 871 . 1 1 102 102 ARG CG C 13 27.13 . . . . . . . . . . . 6436 1 872 . 1 1 102 102 ARG CD C 13 43.63 . . . . . . . . . . . 6436 1 873 . 1 1 102 102 ARG N N 15 119.2 . . . . . . . . . . . 6436 1 874 . 1 1 103 103 ALA H H 1 8.45 . . . . . . . . . . . 6436 1 875 . 1 1 103 103 ALA HA H 1 4.35 . . . . . . . . . . . 6436 1 876 . 1 1 103 103 ALA HB1 H 1 1.39 . . . . . . . . . . . 6436 1 877 . 1 1 103 103 ALA HB2 H 1 1.39 . . . . . . . . . . . 6436 1 878 . 1 1 103 103 ALA HB3 H 1 1.39 . . . . . . . . . . . 6436 1 879 . 1 1 103 103 ALA C C 13 177.50 . . . . . . . . . . . 6436 1 880 . 1 1 103 103 ALA CA C 13 52.53 . . . . . . . . . . . 6436 1 881 . 1 1 103 103 ALA CB C 13 19.38 . . . . . . . . . . . 6436 1 882 . 1 1 103 103 ALA N N 15 125.5 . . . . . . . . . . . 6436 1 883 . 1 1 104 104 ASP H H 1 8.35 . . . . . . . . . . . 6436 1 884 . 1 1 104 104 ASP HA H 1 4.56 . . . . . . . . . . . 6436 1 885 . 1 1 104 104 ASP HB2 H 1 2.67 . . . . . . . . . . . 6436 1 886 . 1 1 104 104 ASP HB3 H 1 2.67 . . . . . . . . . . . 6436 1 887 . 1 1 104 104 ASP C C 13 176.30 . . . . . . . . . . . 6436 1 888 . 1 1 104 104 ASP CA C 13 54.52 . . . . . . . . . . . 6436 1 889 . 1 1 104 104 ASP CB C 13 41.10 . . . . . . . . . . . 6436 1 890 . 1 1 104 104 ASP N N 15 119.4 . . . . . . . . . . . 6436 1 891 . 1 1 105 105 SER H H 1 8.12 . . . . . . . . . . . 6436 1 892 . 1 1 105 105 SER HA H 1 4.44 . . . . . . . . . . . 6436 1 893 . 1 1 105 105 SER HB2 H 1 3.87 . . . . . . . . . . . 6436 1 894 . 1 1 105 105 SER HB3 H 1 3.87 . . . . . . . . . . . 6436 1 895 . 1 1 105 105 SER C C 13 174.00 . . . . . . . . . . . 6436 1 896 . 1 1 105 105 SER CA C 13 58.44 . . . . . . . . . . . 6436 1 897 . 1 1 105 105 SER CB C 13 64.01 . . . . . . . . . . . 6436 1 898 . 1 1 105 105 SER N N 15 114.7 . . . . . . . . . . . 6436 1 899 . 1 1 106 106 ASP H H 1 8.37 . . . . . . . . . . . 6436 1 900 . 1 1 106 106 ASP HA H 1 4.66 . . . . . . . . . . . 6436 1 901 . 1 1 106 106 ASP HB2 H 1 2.70 . . . . . . . . . . . 6436 1 902 . 1 1 106 106 ASP HB3 H 1 2.70 . . . . . . . . . . . 6436 1 903 . 1 1 106 106 ASP C C 13 176.30 . . . . . . . . . . . 6436 1 904 . 1 1 106 106 ASP CA C 13 54.62 . . . . . . . . . . . 6436 1 905 . 1 1 106 106 ASP CB C 13 41.25 . . . . . . . . . . . 6436 1 906 . 1 1 106 106 ASP N N 15 122.4 . . . . . . . . . . . 6436 1 907 . 1 1 107 107 SER H H 1 8.20 . . . . . . . . . . . 6436 1 908 . 1 1 107 107 SER HA H 1 4.43 . . . . . . . . . . . 6436 1 909 . 1 1 107 107 SER HB2 H 1 3.87 . . . . . . . . . . . 6436 1 910 . 1 1 107 107 SER HB3 H 1 3.87 . . . . . . . . . . . 6436 1 911 . 1 1 107 107 SER C C 13 174.40 . . . . . . . . . . . 6436 1 912 . 1 1 107 107 SER CA C 13 58.54 . . . . . . . . . . . 6436 1 913 . 1 1 107 107 SER CB C 13 64.06 . . . . . . . . . . . 6436 1 914 . 1 1 107 107 SER N N 15 115.6 . . . . . . . . . . . 6436 1 915 . 1 1 108 108 ASP H H 1 8.39 . . . . . . . . . . . 6436 1 916 . 1 1 108 108 ASP HA H 1 4.36 . . . . . . . . . . . 6436 1 917 . 1 1 108 108 ASP HB2 H 1 2.69 . . . . . . . . . . . 6436 1 918 . 1 1 108 108 ASP HB3 H 1 2.69 . . . . . . . . . . . 6436 1 919 . 1 1 108 108 ASP C C 13 176.30 . . . . . . . . . . . 6436 1 920 . 1 1 108 108 ASP CA C 13 54.57 . . . . . . . . . . . 6436 1 921 . 1 1 108 108 ASP CB C 13 41.21 . . . . . . . . . . . 6436 1 922 . 1 1 108 108 ASP N N 15 122.5 . . . . . . . . . . . 6436 1 923 . 1 1 109 109 SER H H 1 8.21 . . . . . . . . . . . 6436 1 924 . 1 1 109 109 SER HA H 1 4.46 . . . . . . . . . . . 6436 1 925 . 1 1 109 109 SER HB2 H 1 3.87 . . . . . . . . . . . 6436 1 926 . 1 1 109 109 SER HB3 H 1 3.87 . . . . . . . . . . . 6436 1 927 . 1 1 109 109 SER C C 13 174.60 . . . . . . . . . . . 6436 1 928 . 1 1 109 109 SER CA C 13 58.54 . . . . . . . . . . . 6436 1 929 . 1 1 109 109 SER CB C 13 64.11 . . . . . . . . . . . 6436 1 930 . 1 1 109 109 SER N N 15 115.7 . . . . . . . . . . . 6436 1 931 . 1 1 110 110 GLU H H 1 8.43 . . . . . . . . . . . 6436 1 932 . 1 1 110 110 GLU HA H 1 4.33 . . . . . . . . . . . 6436 1 933 . 1 1 110 110 GLU HB2 H 1 2.09 . . . . . . . . . . . 6436 1 934 . 1 1 110 110 GLU HB3 H 1 1.95 . . . . . . . . . . . 6436 1 935 . 1 1 110 110 GLU HG2 H 1 2.28 . . . . . . . . . . . 6436 1 936 . 1 1 110 110 GLU HG3 H 1 2.28 . . . . . . . . . . . 6436 1 937 . 1 1 110 110 GLU C C 13 176.80 . . . . . . . . . . . 6436 1 938 . 1 1 110 110 GLU CA C 13 56.76 . . . . . . . . . . . 6436 1 939 . 1 1 110 110 GLU CB C 13 30.41 . . . . . . . . . . . 6436 1 940 . 1 1 110 110 GLU CG C 13 35.75 . . . . . . . . . . . 6436 1 941 . 1 1 110 110 GLU N N 15 122.7 . . . . . . . . . . . 6436 1 942 . 1 1 111 111 GLY H H 1 8.35 . . . . . . . . . . . 6436 1 943 . 1 1 111 111 GLY HA2 H 1 3.92 . . . . . . . . . . . 6436 1 944 . 1 1 111 111 GLY C C 13 173.70 . . . . . . . . . . . 6436 1 945 . 1 1 111 111 GLY CA C 13 45.32 . . . . . . . . . . . 6436 1 946 . 1 1 111 111 GLY N N 15 109.6 . . . . . . . . . . . 6436 1 947 . 1 1 112 112 ASP H H 1 8.25 . . . . . . . . . . . 6436 1 948 . 1 1 112 112 ASP HA H 1 4.62 . . . . . . . . . . . 6436 1 949 . 1 1 112 112 ASP HB2 H 1 2.83 . . . . . . . . . . . 6436 1 950 . 1 1 112 112 ASP HB3 H 1 1.74 . . . . . . . . . . . 6436 1 951 . 1 1 112 112 ASP C C 13 176.10 . . . . . . . . . . . 6436 1 952 . 1 1 112 112 ASP CA C 13 54.27 . . . . . . . . . . . 6436 1 953 . 1 1 112 112 ASP CB C 13 41.35 . . . . . . . . . . . 6436 1 954 . 1 1 112 112 ASP N N 15 120.5 . . . . . . . . . . . 6436 1 955 . 1 1 113 113 ASP H H 1 8.45 . . . . . . . . . . . 6436 1 956 . 1 1 113 113 ASP HA H 1 4.63 . . . . . . . . . . . 6436 1 957 . 1 1 113 113 ASP HB2 H 1 2.68 . . . . . . . . . . . 6436 1 958 . 1 1 113 113 ASP HB3 H 1 2.68 . . . . . . . . . . . 6436 1 959 . 1 1 113 113 ASP C C 13 176.40 . . . . . . . . . . . 6436 1 960 . 1 1 113 113 ASP CA C 13 54.37 . . . . . . . . . . . 6436 1 961 . 1 1 113 113 ASP CB C 13 41.10 . . . . . . . . . . . 6436 1 962 . 1 1 113 113 ASP N N 15 121.2 . . . . . . . . . . . 6436 1 963 . 1 1 114 114 THR H H 1 8.19 . . . . . . . . . . . 6436 1 964 . 1 1 114 114 THR CA C 13 62.22 . . . . . . . . . . . 6436 1 965 . 1 1 114 114 THR CB C 13 69.83 . . . . . . . . . . . 6436 1 966 . 1 1 114 114 THR N N 15 114.1 . . . . . . . . . . . 6436 1 stop_ save_