data_26773 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26773 _Entry.Title ; Chemical shift assignments of Spectrin repeat a17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-01 _Entry.Accession_date 2016-04-01 _Entry.Last_release_date 2016-04-01 _Entry.Original_release_date 2016-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Residue specific chemical shift assignments of human erythrocytic Spectrin alpha chain repeat 17' _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.ORCID _Entry_author.Entry_ID 1 Erin Cutts . E. . . 26773 2 Ioannis Vakonakis . . . . 26773 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26773 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 26773 '15N chemical shifts' 123 26773 '1H chemical shifts' 240 26773 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-08-25 2016-04-01 update BMRB 'update entry citation' 26773 1 . . 2017-08-01 2016-04-01 original author 'original release' 26773 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26772 Assembly-1 26773 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26773 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.ppat.1006552 _Citation.PubMed_ID 28806784 _Citation.Full_citation . _Citation.Title ; Structural analysis of P. falciparum KAHRP and PfEMP1 complexes with host erythrocyte spectrin suggests a model for cytoadherent knob protrusions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 13 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1553-7374 _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 e1006552 _Citation.Page_last e1006552 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Erin Cutts E. E. . . 26773 1 2 Niklas Laasch N. . . . 26773 1 3 Dirk Reiter D. M. . . 26773 1 4 Raphael Trenker R. . . . 26773 1 5 Leanne Slater L. M. . . 26773 1 6 Phillip Stansfeld P. J. . . 26773 1 7 Ioannis Vakonakis I. . . . 26773 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26773 _Assembly.ID 1 _Assembly.Name a17 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14699.7 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 a17 1 $a17 A . yes native no no . . . 26773 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_a17 _Entity.Sf_category entity _Entity.Sf_framecode a17 _Entity.Entry_ID 26773 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name a17 _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 ; GPGAHHEKLKEAYALFQFFQ DLDDEESWIEEKLIRVSSQD YGRDLQGVQNLLKKHKRLEG ELVAHEPAIQNVLDMAEKLK DKAAVGQEEIQLRLAQFVEH WEKLKELAKARGLKLEESLE YLQFMQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1,A 2,H 3,H ; _Entity.Polymer_author_seq_details 'Residues 1-3 correspond to cloning artifacts' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Spectrin alpha chain repeat 17' _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 . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P02549 . . . . . . . . . . . . . . . . 26773 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Component of erythrocyte cytoskeleton' 26773 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 1 GLY . 26773 1 2 2 PRO . 26773 1 3 3 GLY . 26773 1 4 4 ALA . 26773 1 5 5 HIS . 26773 1 6 6 HIS . 26773 1 7 7 GLU . 26773 1 8 8 LYS . 26773 1 9 9 LEU . 26773 1 10 10 LYS . 26773 1 11 11 GLU . 26773 1 12 12 ALA . 26773 1 13 13 TYR . 26773 1 14 14 ALA . 26773 1 15 15 LEU . 26773 1 16 16 PHE . 26773 1 17 17 GLN . 26773 1 18 18 PHE . 26773 1 19 19 PHE . 26773 1 20 20 GLN . 26773 1 21 21 ASP . 26773 1 22 22 LEU . 26773 1 23 23 ASP . 26773 1 24 24 ASP . 26773 1 25 25 GLU . 26773 1 26 26 GLU . 26773 1 27 27 SER . 26773 1 28 28 TRP . 26773 1 29 29 ILE . 26773 1 30 30 GLU . 26773 1 31 31 GLU . 26773 1 32 32 LYS . 26773 1 33 33 LEU . 26773 1 34 34 ILE . 26773 1 35 35 ARG . 26773 1 36 36 VAL . 26773 1 37 37 SER . 26773 1 38 38 SER . 26773 1 39 39 GLN . 26773 1 40 40 ASP . 26773 1 41 41 TYR . 26773 1 42 42 GLY . 26773 1 43 43 ARG . 26773 1 44 44 ASP . 26773 1 45 45 LEU . 26773 1 46 46 GLN . 26773 1 47 47 GLY . 26773 1 48 48 VAL . 26773 1 49 49 GLN . 26773 1 50 50 ASN . 26773 1 51 51 LEU . 26773 1 52 52 LEU . 26773 1 53 53 LYS . 26773 1 54 54 LYS . 26773 1 55 55 HIS . 26773 1 56 56 LYS . 26773 1 57 57 ARG . 26773 1 58 58 LEU . 26773 1 59 59 GLU . 26773 1 60 60 GLY . 26773 1 61 61 GLU . 26773 1 62 62 LEU . 26773 1 63 63 VAL . 26773 1 64 64 ALA . 26773 1 65 65 HIS . 26773 1 66 66 GLU . 26773 1 67 67 PRO . 26773 1 68 68 ALA . 26773 1 69 69 ILE . 26773 1 70 70 GLN . 26773 1 71 71 ASN . 26773 1 72 72 VAL . 26773 1 73 73 LEU . 26773 1 74 74 ASP . 26773 1 75 75 MET . 26773 1 76 76 ALA . 26773 1 77 77 GLU . 26773 1 78 78 LYS . 26773 1 79 79 LEU . 26773 1 80 80 LYS . 26773 1 81 81 ASP . 26773 1 82 82 LYS . 26773 1 83 83 ALA . 26773 1 84 84 ALA . 26773 1 85 85 VAL . 26773 1 86 86 GLY . 26773 1 87 87 GLN . 26773 1 88 88 GLU . 26773 1 89 89 GLU . 26773 1 90 90 ILE . 26773 1 91 91 GLN . 26773 1 92 92 LEU . 26773 1 93 93 ARG . 26773 1 94 94 LEU . 26773 1 95 95 ALA . 26773 1 96 96 GLN . 26773 1 97 97 PHE . 26773 1 98 98 VAL . 26773 1 99 99 GLU . 26773 1 100 100 HIS . 26773 1 101 101 TRP . 26773 1 102 102 GLU . 26773 1 103 103 LYS . 26773 1 104 104 LEU . 26773 1 105 105 LYS . 26773 1 106 106 GLU . 26773 1 107 107 LEU . 26773 1 108 108 ALA . 26773 1 109 109 LYS . 26773 1 110 110 ALA . 26773 1 111 111 ARG . 26773 1 112 112 GLY . 26773 1 113 113 LEU . 26773 1 114 114 LYS . 26773 1 115 115 LEU . 26773 1 116 116 GLU . 26773 1 117 117 GLU . 26773 1 118 118 SER . 26773 1 119 119 LEU . 26773 1 120 120 GLU . 26773 1 121 121 TYR . 26773 1 122 122 LEU . 26773 1 123 123 GLN . 26773 1 124 124 PHE . 26773 1 125 125 MET . 26773 1 126 126 GLN . 26773 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26773 1 . PRO 2 2 26773 1 . GLY 3 3 26773 1 . ALA 4 4 26773 1 . HIS 5 5 26773 1 . HIS 6 6 26773 1 . GLU 7 7 26773 1 . LYS 8 8 26773 1 . LEU 9 9 26773 1 . LYS 10 10 26773 1 . GLU 11 11 26773 1 . ALA 12 12 26773 1 . TYR 13 13 26773 1 . ALA 14 14 26773 1 . LEU 15 15 26773 1 . PHE 16 16 26773 1 . GLN 17 17 26773 1 . PHE 18 18 26773 1 . PHE 19 19 26773 1 . GLN 20 20 26773 1 . ASP 21 21 26773 1 . LEU 22 22 26773 1 . ASP 23 23 26773 1 . ASP 24 24 26773 1 . GLU 25 25 26773 1 . GLU 26 26 26773 1 . SER 27 27 26773 1 . TRP 28 28 26773 1 . ILE 29 29 26773 1 . GLU 30 30 26773 1 . GLU 31 31 26773 1 . LYS 32 32 26773 1 . LEU 33 33 26773 1 . ILE 34 34 26773 1 . ARG 35 35 26773 1 . VAL 36 36 26773 1 . SER 37 37 26773 1 . SER 38 38 26773 1 . GLN 39 39 26773 1 . ASP 40 40 26773 1 . TYR 41 41 26773 1 . GLY 42 42 26773 1 . ARG 43 43 26773 1 . ASP 44 44 26773 1 . LEU 45 45 26773 1 . GLN 46 46 26773 1 . GLY 47 47 26773 1 . VAL 48 48 26773 1 . GLN 49 49 26773 1 . ASN 50 50 26773 1 . LEU 51 51 26773 1 . LEU 52 52 26773 1 . LYS 53 53 26773 1 . LYS 54 54 26773 1 . HIS 55 55 26773 1 . LYS 56 56 26773 1 . ARG 57 57 26773 1 . LEU 58 58 26773 1 . GLU 59 59 26773 1 . GLY 60 60 26773 1 . GLU 61 61 26773 1 . LEU 62 62 26773 1 . VAL 63 63 26773 1 . ALA 64 64 26773 1 . HIS 65 65 26773 1 . GLU 66 66 26773 1 . PRO 67 67 26773 1 . ALA 68 68 26773 1 . ILE 69 69 26773 1 . GLN 70 70 26773 1 . ASN 71 71 26773 1 . VAL 72 72 26773 1 . LEU 73 73 26773 1 . ASP 74 74 26773 1 . MET 75 75 26773 1 . ALA 76 76 26773 1 . GLU 77 77 26773 1 . LYS 78 78 26773 1 . LEU 79 79 26773 1 . LYS 80 80 26773 1 . ASP 81 81 26773 1 . LYS 82 82 26773 1 . ALA 83 83 26773 1 . ALA 84 84 26773 1 . VAL 85 85 26773 1 . GLY 86 86 26773 1 . GLN 87 87 26773 1 . GLU 88 88 26773 1 . GLU 89 89 26773 1 . ILE 90 90 26773 1 . GLN 91 91 26773 1 . LEU 92 92 26773 1 . ARG 93 93 26773 1 . LEU 94 94 26773 1 . ALA 95 95 26773 1 . GLN 96 96 26773 1 . PHE 97 97 26773 1 . VAL 98 98 26773 1 . GLU 99 99 26773 1 . HIS 100 100 26773 1 . TRP 101 101 26773 1 . GLU 102 102 26773 1 . LYS 103 103 26773 1 . LEU 104 104 26773 1 . LYS 105 105 26773 1 . GLU 106 106 26773 1 . LEU 107 107 26773 1 . ALA 108 108 26773 1 . LYS 109 109 26773 1 . ALA 110 110 26773 1 . ARG 111 111 26773 1 . GLY 112 112 26773 1 . LEU 113 113 26773 1 . LYS 114 114 26773 1 . LEU 115 115 26773 1 . GLU 116 116 26773 1 . GLU 117 117 26773 1 . SER 118 118 26773 1 . LEU 119 119 26773 1 . GLU 120 120 26773 1 . TYR 121 121 26773 1 . LEU 122 122 26773 1 . GLN 123 123 26773 1 . PHE 124 124 26773 1 . MET 125 125 26773 1 . GLN 126 126 26773 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 26773 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $a17 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . spta1 . 26773 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 26773 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $a17 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) Rosetta2 . . . . pET16c . . 'Plasmid modified to include a 3C protease site' 26773 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26773 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 a17 '[U-99% 13C; U-99% 15N]' . . 1 $a17 . . 0.5 . . mM . . . . 26773 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 26773 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26773 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26773 1 5 DSS 'natural abundance' . . . . . . 0.05 . . mM . . . . 26773 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26773 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26773 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26773 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.34 . M 26773 1 pH 6.5 . pH 26773 1 pressure 1 . atm 26773 1 temperature 313 . K 26773 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26773 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26773 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26773 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 26773 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Prof. Geerten Vuister' 'University of Leicester' . 26773 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26773 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26773 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26773 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26773 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26773 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Bruker Avance III HD Cryogenic TCI probehead Oxford Instruments 750MHz magnet ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26773 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 ; Bruker Avance III HD Cryogenic TCI probehead Oxford Instruments 750MHz magnet ; . . 26773 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 26773 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26773 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26773 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26773 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26773 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26773 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26773 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26773 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26773 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26773 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26773 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26773 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 'Digital resolution of processed data' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26773 1 2 '3D CBCA(CO)NH' . . . 26773 1 3 '3D HNCACB' . . . 26773 1 4 '3D HNCO' . . . 26773 1 5 '3D HN(CA)CO' . . . 26773 1 6 '3D HBHA(CO)NH' . . . 26773 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 26773 1 2 $CCPN_Analysis . . 26773 1 3 $NMRPipe . . 26773 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.4587 0.005 . 1 . . . . 2 PRO HA . 26773 1 2 . 1 1 2 2 PRO C C 13 177.3496 0.2 . 1 . . . . 2 PRO C . 26773 1 3 . 1 1 2 2 PRO CA C 13 63.4864 0.2 . 1 . . . . 2 PRO CA . 26773 1 4 . 1 1 2 2 PRO CB C 13 32.2884 0.2 . 1 . . . . 2 PRO CB . 26773 1 5 . 1 1 3 3 GLY H H 1 8.5168 0.005 . 1 . . . . 3 GLY H . 26773 1 6 . 1 1 3 3 GLY HA2 H 1 3.9387 0.005 . 1 . . . . 3 GLY HA2 . 26773 1 7 . 1 1 3 3 GLY HA3 H 1 3.9387 0.005 . 1 . . . . 3 GLY HA3 . 26773 1 8 . 1 1 3 3 GLY C C 13 173.9508 0.2 . 1 . . . . 3 GLY C . 26773 1 9 . 1 1 3 3 GLY CA C 13 45.3462 0.2 . 1 . . . . 3 GLY CA . 26773 1 10 . 1 1 3 3 GLY N N 15 109.7083 0.05 . 1 . . . . 3 GLY N . 26773 1 11 . 1 1 4 4 ALA H H 1 8.0669 0.005 . 1 . . . . 4 ALA H . 26773 1 12 . 1 1 4 4 ALA HA H 1 4.3664 0.005 . 1 . . . . 4 ALA HA . 26773 1 13 . 1 1 4 4 ALA C C 13 177.8396 0.2 . 1 . . . . 4 ALA C . 26773 1 14 . 1 1 4 4 ALA CA C 13 52.6826 0.2 . 1 . . . . 4 ALA CA . 26773 1 15 . 1 1 4 4 ALA CB C 13 19.3538 0.2 . 1 . . . . 4 ALA CB . 26773 1 16 . 1 1 4 4 ALA N N 15 123.3806 0.05 . 1 . . . . 4 ALA N . 26773 1 17 . 1 1 5 5 HIS H H 1 8.327 0.005 . 1 . . . . 5 HIS H . 26773 1 18 . 1 1 5 5 HIS CA C 13 56.4505 0.2 . 1 . . . . 5 HIS CA . 26773 1 19 . 1 1 5 5 HIS CB C 13 30.0361 0.2 . 1 . . . . 5 HIS CB . 26773 1 20 . 1 1 5 5 HIS N N 15 118.2725 0.05 . 1 . . . . 5 HIS N . 26773 1 21 . 1 1 6 6 HIS H H 1 8.1684 0.005 . 1 . . . . 6 HIS H . 26773 1 22 . 1 1 6 6 HIS HA H 1 4.4931 0.005 . 1 . . . . 6 HIS HA . 26773 1 23 . 1 1 6 6 HIS C C 13 175.7414 0.2 . 1 . . . . 6 HIS C . 26773 1 24 . 1 1 6 6 HIS CA C 13 56.9578 0.2 . 1 . . . . 6 HIS CA . 26773 1 25 . 1 1 6 6 HIS CB C 13 30.3729 0.2 . 1 . . . . 6 HIS CB . 26773 1 26 . 1 1 6 6 HIS N N 15 120.0008 0.05 . 1 . . . . 6 HIS N . 26773 1 27 . 1 1 7 7 GLU H H 1 8.408 0.005 . 1 . . . . 7 GLU H . 26773 1 28 . 1 1 7 7 GLU HA H 1 4.1652 0.005 . 1 . . . . 7 GLU HA . 26773 1 29 . 1 1 7 7 GLU C C 13 177.2351 0.2 . 1 . . . . 7 GLU C . 26773 1 30 . 1 1 7 7 GLU CA C 13 57.7216 0.2 . 1 . . . . 7 GLU CA . 26773 1 31 . 1 1 7 7 GLU CB C 13 30.0274 0.2 . 1 . . . . 7 GLU CB . 26773 1 32 . 1 1 7 7 GLU N N 15 121.6817 0.05 . 1 . . . . 7 GLU N . 26773 1 33 . 1 1 8 8 LYS H H 1 8.2533 0.005 . 1 . . . . 8 LYS H . 26773 1 34 . 1 1 8 8 LYS HA H 1 4.2454 0.005 . 1 . . . . 8 LYS HA . 26773 1 35 . 1 1 8 8 LYS C C 13 177.5788 0.2 . 1 . . . . 8 LYS C . 26773 1 36 . 1 1 8 8 LYS CA C 13 57.3496 0.2 . 1 . . . . 8 LYS CA . 26773 1 37 . 1 1 8 8 LYS CB C 13 32.557 0.2 . 1 . . . . 8 LYS CB . 26773 1 38 . 1 1 8 8 LYS N N 15 121.0875 0.05 . 1 . . . . 8 LYS N . 26773 1 39 . 1 1 9 9 LEU H H 1 8.0189 0.005 . 1 . . . . 9 LEU H . 26773 1 40 . 1 1 9 9 LEU C C 13 177.9195 0.2 . 1 . . . . 9 LEU C . 26773 1 41 . 1 1 9 9 LEU CA C 13 56.2575 0.2 . 1 . . . . 9 LEU CA . 26773 1 42 . 1 1 9 9 LEU CB C 13 42.1077 0.2 . 1 . . . . 9 LEU CB . 26773 1 43 . 1 1 9 9 LEU N N 15 121.9303 0.05 . 1 . . . . 9 LEU N . 26773 1 44 . 1 1 10 10 LYS H H 1 8.0493 0.005 . 1 . . . . 10 LYS H . 26773 1 45 . 1 1 10 10 LYS C C 13 178.1018 0.2 . 1 . . . . 10 LYS C . 26773 1 46 . 1 1 10 10 LYS CA C 13 58.1112 0.2 . 1 . . . . 10 LYS CA . 26773 1 47 . 1 1 10 10 LYS CB C 13 32.5984 0.2 . 1 . . . . 10 LYS CB . 26773 1 48 . 1 1 10 10 LYS N N 15 120.5426 0.05 . 1 . . . . 10 LYS N . 26773 1 49 . 1 1 11 11 GLU H H 1 8.2196 0.005 . 1 . . . . 11 GLU H . 26773 1 50 . 1 1 11 11 GLU HA H 1 4.1544 0.005 . 1 . . . . 11 GLU HA . 26773 1 51 . 1 1 11 11 GLU C C 13 177.2712 0.2 . 1 . . . . 11 GLU C . 26773 1 52 . 1 1 11 11 GLU CA C 13 58.2473 0.2 . 1 . . . . 11 GLU CA . 26773 1 53 . 1 1 11 11 GLU CB C 13 29.9908 0.2 . 1 . . . . 11 GLU CB . 26773 1 54 . 1 1 11 11 GLU N N 15 120.535 0.05 . 1 . . . . 11 GLU N . 26773 1 55 . 1 1 12 12 ALA H H 1 8.0367 0.005 . 1 . . . . 12 ALA H . 26773 1 56 . 1 1 12 12 ALA HA H 1 4.1983 0.005 . 1 . . . . 12 ALA HA . 26773 1 57 . 1 1 12 12 ALA C C 13 179.0024 0.2 . 1 . . . . 12 ALA C . 26773 1 58 . 1 1 12 12 ALA CA C 13 54.0867 0.2 . 1 . . . . 12 ALA CA . 26773 1 59 . 1 1 12 12 ALA CB C 13 18.7231 0.2 . 1 . . . . 12 ALA CB . 26773 1 60 . 1 1 12 12 ALA N N 15 122.3912 0.05 . 1 . . . . 12 ALA N . 26773 1 61 . 1 1 13 13 TYR H H 1 8.0581 0.005 . 1 . . . . 13 TYR H . 26773 1 62 . 1 1 13 13 TYR HA H 1 4.3869 0.005 . 1 . . . . 13 TYR HA . 26773 1 63 . 1 1 13 13 TYR C C 13 176.8914 0.2 . 1 . . . . 13 TYR C . 26773 1 64 . 1 1 13 13 TYR CA C 13 59.8628 0.2 . 1 . . . . 13 TYR CA . 26773 1 65 . 1 1 13 13 TYR CB C 13 38.2434 0.2 . 1 . . . . 13 TYR CB . 26773 1 66 . 1 1 13 13 TYR N N 15 118.8742 0.05 . 1 . . . . 13 TYR N . 26773 1 67 . 1 1 14 14 ALA H H 1 8.027 0.005 . 1 . . . . 14 ALA H . 26773 1 68 . 1 1 14 14 ALA HA H 1 4.1791 0.005 . 1 . . . . 14 ALA HA . 26773 1 69 . 1 1 14 14 ALA C C 13 179.7921 0.2 . 1 . . . . 14 ALA C . 26773 1 70 . 1 1 14 14 ALA CA C 13 54.4702 0.2 . 1 . . . . 14 ALA CA . 26773 1 71 . 1 1 14 14 ALA CB C 13 18.7738 0.2 . 1 . . . . 14 ALA CB . 26773 1 72 . 1 1 14 14 ALA N N 15 122.9295 0.05 . 1 . . . . 14 ALA N . 26773 1 73 . 1 1 15 15 LEU H H 1 7.9547 0.005 . 1 . . . . 15 LEU H . 26773 1 74 . 1 1 15 15 LEU HA H 1 3.9805 0.005 . 1 . . . . 15 LEU HA . 26773 1 75 . 1 1 15 15 LEU C C 13 177.5679 0.2 . 1 . . . . 15 LEU C . 26773 1 76 . 1 1 15 15 LEU CA C 13 57.8429 0.2 . 1 . . . . 15 LEU CA . 26773 1 77 . 1 1 15 15 LEU CB C 13 42.0001 0.2 . 1 . . . . 15 LEU CB . 26773 1 78 . 1 1 15 15 LEU N N 15 119.259 0.05 . 1 . . . . 15 LEU N . 26773 1 79 . 1 1 16 16 PHE H H 1 7.8965 0.005 . 1 . . . . 16 PHE H . 26773 1 80 . 1 1 16 16 PHE HA H 1 4.3531 0.005 . 1 . . . . 16 PHE HA . 26773 1 81 . 1 1 16 16 PHE C C 13 178.2121 0.2 . 1 . . . . 16 PHE C . 26773 1 82 . 1 1 16 16 PHE CA C 13 61.0148 0.2 . 1 . . . . 16 PHE CA . 26773 1 83 . 1 1 16 16 PHE CB C 13 38.6177 0.2 . 1 . . . . 16 PHE CB . 26773 1 84 . 1 1 16 16 PHE N N 15 117.6967 0.05 . 1 . . . . 16 PHE N . 26773 1 85 . 1 1 17 17 GLN H H 1 8.1148 0.005 . 1 . . . . 17 GLN H . 26773 1 86 . 1 1 17 17 GLN HA H 1 3.8355 0.005 . 1 . . . . 17 GLN HA . 26773 1 87 . 1 1 17 17 GLN C C 13 177.1221 0.2 . 1 . . . . 17 GLN C . 26773 1 88 . 1 1 17 17 GLN CA C 13 58.4519 0.2 . 1 . . . . 17 GLN CA . 26773 1 89 . 1 1 17 17 GLN CB C 13 28.7008 0.2 . 1 . . . . 17 GLN CB . 26773 1 90 . 1 1 17 17 GLN N N 15 119.2976 0.05 . 1 . . . . 17 GLN N . 26773 1 91 . 1 1 18 18 PHE H H 1 7.8088 0.005 . 1 . . . . 18 PHE H . 26773 1 92 . 1 1 18 18 PHE HA H 1 4.2886 0.005 . 1 . . . . 18 PHE HA . 26773 1 93 . 1 1 18 18 PHE C C 13 176.1152 0.2 . 1 . . . . 18 PHE C . 26773 1 94 . 1 1 18 18 PHE CA C 13 60.8904 0.2 . 1 . . . . 18 PHE CA . 26773 1 95 . 1 1 18 18 PHE CB C 13 38.8112 0.2 . 1 . . . . 18 PHE CB . 26773 1 96 . 1 1 18 18 PHE N N 15 119.5649 0.05 . 1 . . . . 18 PHE N . 26773 1 97 . 1 1 19 19 PHE H H 1 7.9447 0.005 . 1 . . . . 19 PHE H . 26773 1 98 . 1 1 19 19 PHE HA H 1 3.8587 0.005 . 1 . . . . 19 PHE HA . 26773 1 99 . 1 1 19 19 PHE C C 13 178.1123 0.2 . 1 . . . . 19 PHE C . 26773 1 100 . 1 1 19 19 PHE CA C 13 61.3777 0.2 . 1 . . . . 19 PHE CA . 26773 1 101 . 1 1 19 19 PHE CB C 13 37.9384 0.2 . 1 . . . . 19 PHE CB . 26773 1 102 . 1 1 19 19 PHE N N 15 115.9565 0.05 . 1 . . . . 19 PHE N . 26773 1 103 . 1 1 20 20 GLN H H 1 7.7856 0.005 . 1 . . . . 20 GLN H . 26773 1 104 . 1 1 20 20 GLN HA H 1 3.9922 0.005 . 1 . . . . 20 GLN HA . 26773 1 105 . 1 1 20 20 GLN C C 13 177.6246 0.2 . 1 . . . . 20 GLN C . 26773 1 106 . 1 1 20 20 GLN CA C 13 58.8892 0.2 . 1 . . . . 20 GLN CA . 26773 1 107 . 1 1 20 20 GLN CB C 13 28.8278 0.2 . 1 . . . . 20 GLN CB . 26773 1 108 . 1 1 20 20 GLN N N 15 119.7037 0.05 . 1 . . . . 20 GLN N . 26773 1 109 . 1 1 21 21 ASP H H 1 8.297 0.005 . 1 . . . . 21 ASP H . 26773 1 110 . 1 1 21 21 ASP HA H 1 4.0968 0.005 . 1 . . . . 21 ASP HA . 26773 1 111 . 1 1 21 21 ASP C C 13 178.0673 0.2 . 1 . . . . 21 ASP C . 26773 1 112 . 1 1 21 21 ASP CA C 13 57.7706 0.2 . 1 . . . . 21 ASP CA . 26773 1 113 . 1 1 21 21 ASP CB C 13 39.7166 0.2 . 1 . . . . 21 ASP CB . 26773 1 114 . 1 1 21 21 ASP N N 15 121.1813 0.05 . 1 . . . . 21 ASP N . 26773 1 115 . 1 1 22 22 LEU H H 1 8.2292 0.005 . 1 . . . . 22 LEU H . 26773 1 116 . 1 1 22 22 LEU HA H 1 4.0737 0.005 . 1 . . . . 22 LEU HA . 26773 1 117 . 1 1 22 22 LEU C C 13 179.6669 0.2 . 1 . . . . 22 LEU C . 26773 1 118 . 1 1 22 22 LEU CA C 13 58.5071 0.2 . 1 . . . . 22 LEU CA . 26773 1 119 . 1 1 22 22 LEU CB C 13 41.2447 0.2 . 1 . . . . 22 LEU CB . 26773 1 120 . 1 1 22 22 LEU N N 15 120.9297 0.05 . 1 . . . . 22 LEU N . 26773 1 121 . 1 1 23 23 ASP H H 1 7.9523 0.005 . 1 . . . . 23 ASP H . 26773 1 122 . 1 1 23 23 ASP HA H 1 4.3042 0.005 . 1 . . . . 23 ASP HA . 26773 1 123 . 1 1 23 23 ASP C C 13 179.7834 0.2 . 1 . . . . 23 ASP C . 26773 1 124 . 1 1 23 23 ASP CA C 13 57.6953 0.2 . 1 . . . . 23 ASP CA . 26773 1 125 . 1 1 23 23 ASP CB C 13 40.7357 0.2 . 1 . . . . 23 ASP CB . 26773 1 126 . 1 1 23 23 ASP N N 15 118.5082 0.05 . 1 . . . . 23 ASP N . 26773 1 127 . 1 1 24 24 ASP H H 1 8.3667 0.005 . 1 . . . . 24 ASP H . 26773 1 128 . 1 1 24 24 ASP HA H 1 4.4761 0.005 . 1 . . . . 24 ASP HA . 26773 1 129 . 1 1 24 24 ASP C C 13 180.2035 0.2 . 1 . . . . 24 ASP C . 26773 1 130 . 1 1 24 24 ASP CA C 13 57.8031 0.2 . 1 . . . . 24 ASP CA . 26773 1 131 . 1 1 24 24 ASP CB C 13 40.4093 0.2 . 1 . . . . 24 ASP CB . 26773 1 132 . 1 1 24 24 ASP N N 15 120.6983 0.05 . 1 . . . . 24 ASP N . 26773 1 133 . 1 1 25 25 GLU H H 1 8.6376 0.005 . 1 . . . . 25 GLU H . 26773 1 134 . 1 1 25 25 GLU HA H 1 4.7758 0.005 . 1 . . . . 25 GLU HA . 26773 1 135 . 1 1 25 25 GLU C C 13 179.5421 0.2 . 1 . . . . 25 GLU C . 26773 1 136 . 1 1 25 25 GLU CA C 13 58.4978 0.2 . 1 . . . . 25 GLU CA . 26773 1 137 . 1 1 25 25 GLU CB C 13 29.501 0.2 . 1 . . . . 25 GLU CB . 26773 1 138 . 1 1 25 25 GLU N N 15 120.6391 0.05 . 1 . . . . 25 GLU N . 26773 1 139 . 1 1 26 26 GLU H H 1 9.2375 0.005 . 1 . . . . 26 GLU H . 26773 1 140 . 1 1 26 26 GLU HA H 1 4.371 0.005 . 1 . . . . 26 GLU HA . 26773 1 141 . 1 1 26 26 GLU C C 13 179.8277 0.2 . 1 . . . . 26 GLU C . 26773 1 142 . 1 1 26 26 GLU CA C 13 60.5356 0.2 . 1 . . . . 26 GLU CA . 26773 1 143 . 1 1 26 26 GLU CB C 13 30.4702 0.2 . 1 . . . . 26 GLU CB . 26773 1 144 . 1 1 26 26 GLU N N 15 121.1128 0.05 . 1 . . . . 26 GLU N . 26773 1 145 . 1 1 27 27 SER H H 1 8.154 0.005 . 1 . . . . 27 SER H . 26773 1 146 . 1 1 27 27 SER HA H 1 4.1973 0.005 . 1 . . . . 27 SER HA . 26773 1 147 . 1 1 27 27 SER C C 13 176.559 0.2 . 1 . . . . 27 SER C . 26773 1 148 . 1 1 27 27 SER CA C 13 62.0659 0.2 . 1 . . . . 27 SER CA . 26773 1 149 . 1 1 27 27 SER CB C 13 62.9122 0.2 . 1 . . . . 27 SER CB . 26773 1 150 . 1 1 27 27 SER N N 15 114.4396 0.05 . 1 . . . . 27 SER N . 26773 1 151 . 1 1 28 28 TRP H H 1 7.9961 0.005 . 1 . . . . 28 TRP H . 26773 1 152 . 1 1 28 28 TRP HA H 1 4.1348 0.005 . 1 . . . . 28 TRP HA . 26773 1 153 . 1 1 28 28 TRP C C 13 178.3927 0.2 . 1 . . . . 28 TRP C . 26773 1 154 . 1 1 28 28 TRP CA C 13 62.6508 0.2 . 1 . . . . 28 TRP CA . 26773 1 155 . 1 1 28 28 TRP CB C 13 29.0474 0.2 . 1 . . . . 28 TRP CB . 26773 1 156 . 1 1 28 28 TRP N N 15 125.3352 0.05 . 1 . . . . 28 TRP N . 26773 1 157 . 1 1 29 29 ILE H H 1 8.8885 0.005 . 1 . . . . 29 ILE H . 26773 1 158 . 1 1 29 29 ILE HA H 1 4.2439 0.005 . 1 . . . . 29 ILE HA . 26773 1 159 . 1 1 29 29 ILE C C 13 177.8369 0.2 . 1 . . . . 29 ILE C . 26773 1 160 . 1 1 29 29 ILE CA C 13 65.9078 0.2 . 1 . . . . 29 ILE CA . 26773 1 161 . 1 1 29 29 ILE CB C 13 38.5737 0.2 . 1 . . . . 29 ILE CB . 26773 1 162 . 1 1 29 29 ILE N N 15 119.2172 0.05 . 1 . . . . 29 ILE N . 26773 1 163 . 1 1 30 30 GLU H H 1 8.3344 0.005 . 1 . . . . 30 GLU H . 26773 1 164 . 1 1 30 30 GLU C C 13 178.7428 0.2 . 1 . . . . 30 GLU C . 26773 1 165 . 1 1 30 30 GLU CA C 13 59.7616 0.2 . 1 . . . . 30 GLU CA . 26773 1 166 . 1 1 30 30 GLU CB C 13 29.4367 0.2 . 1 . . . . 30 GLU CB . 26773 1 167 . 1 1 30 30 GLU N N 15 118.3018 0.05 . 1 . . . . 30 GLU N . 26773 1 168 . 1 1 31 31 GLU H H 1 7.6575 0.005 . 1 . . . . 31 GLU H . 26773 1 169 . 1 1 31 31 GLU C C 13 179.3952 0.2 . 1 . . . . 31 GLU C . 26773 1 170 . 1 1 31 31 GLU CA C 13 59.5052 0.2 . 1 . . . . 31 GLU CA . 26773 1 171 . 1 1 31 31 GLU CB C 13 29.2209 0.2 . 1 . . . . 31 GLU CB . 26773 1 172 . 1 1 31 31 GLU N N 15 118.4177 0.05 . 1 . . . . 31 GLU N . 26773 1 173 . 1 1 32 32 LYS H H 1 7.6116 0.005 . 1 . . . . 32 LYS H . 26773 1 174 . 1 1 32 32 LYS HA H 1 3.7456 0.005 . 1 . . . . 32 LYS HA . 26773 1 175 . 1 1 32 32 LYS C C 13 178.8358 0.2 . 1 . . . . 32 LYS C . 26773 1 176 . 1 1 32 32 LYS CA C 13 57.2387 0.2 . 1 . . . . 32 LYS CA . 26773 1 177 . 1 1 32 32 LYS CB C 13 32.0222 0.2 . 1 . . . . 32 LYS CB . 26773 1 178 . 1 1 32 32 LYS N N 15 117.0497 0.05 . 1 . . . . 32 LYS N . 26773 1 179 . 1 1 33 33 LEU H H 1 8.7939 0.005 . 1 . . . . 33 LEU H . 26773 1 180 . 1 1 33 33 LEU HA H 1 3.92 0.005 . 1 . . . . 33 LEU HA . 26773 1 181 . 1 1 33 33 LEU C C 13 179.9101 0.2 . 1 . . . . 33 LEU C . 26773 1 182 . 1 1 33 33 LEU CA C 13 57.8755 0.2 . 1 . . . . 33 LEU CA . 26773 1 183 . 1 1 33 33 LEU CB C 13 42.0541 0.2 . 1 . . . . 33 LEU CB . 26773 1 184 . 1 1 33 33 LEU N N 15 121.4369 0.05 . 1 . . . . 33 LEU N . 26773 1 185 . 1 1 34 34 ILE H H 1 7.5257 0.005 . 1 . . . . 34 ILE H . 26773 1 186 . 1 1 34 34 ILE HA H 1 3.6404 0.005 . 1 . . . . 34 ILE HA . 26773 1 187 . 1 1 34 34 ILE C C 13 179.2928 0.2 . 1 . . . . 34 ILE C . 26773 1 188 . 1 1 34 34 ILE CA C 13 64.7852 0.2 . 1 . . . . 34 ILE CA . 26773 1 189 . 1 1 34 34 ILE CB C 13 37.9575 0.2 . 1 . . . . 34 ILE CB . 26773 1 190 . 1 1 34 34 ILE N N 15 119.5454 0.05 . 1 . . . . 34 ILE N . 26773 1 191 . 1 1 35 35 ARG H H 1 7.2767 0.005 . 1 . . . . 35 ARG H . 26773 1 192 . 1 1 35 35 ARG HA H 1 4.0805 0.005 . 1 . . . . 35 ARG HA . 26773 1 193 . 1 1 35 35 ARG C C 13 179.8622 0.2 . 1 . . . . 35 ARG C . 26773 1 194 . 1 1 35 35 ARG CA C 13 58.8984 0.2 . 1 . . . . 35 ARG CA . 26773 1 195 . 1 1 35 35 ARG CB C 13 30.0822 0.2 . 1 . . . . 35 ARG CB . 26773 1 196 . 1 1 35 35 ARG N N 15 118.5653 0.05 . 1 . . . . 35 ARG N . 26773 1 197 . 1 1 36 36 VAL H H 1 8.2659 0.005 . 1 . . . . 36 VAL H . 26773 1 198 . 1 1 36 36 VAL HA H 1 4.2578 0.005 . 1 . . . . 36 VAL HA . 26773 1 199 . 1 1 36 36 VAL C C 13 175.4849 0.2 . 1 . . . . 36 VAL C . 26773 1 200 . 1 1 36 36 VAL CA C 13 63.2569 0.2 . 1 . . . . 36 VAL CA . 26773 1 201 . 1 1 36 36 VAL CB C 13 31.5331 0.2 . 1 . . . . 36 VAL CB . 26773 1 202 . 1 1 36 36 VAL N N 15 112.3956 0.05 . 1 . . . . 36 VAL N . 26773 1 203 . 1 1 37 37 SER H H 1 7.3966 0.005 . 1 . . . . 37 SER H . 26773 1 204 . 1 1 37 37 SER HA H 1 4.4142 0.005 . 1 . . . . 37 SER HA . 26773 1 205 . 1 1 37 37 SER C C 13 173.6678 0.2 . 1 . . . . 37 SER C . 26773 1 206 . 1 1 37 37 SER CA C 13 59.3421 0.2 . 1 . . . . 37 SER CA . 26773 1 207 . 1 1 37 37 SER CB C 13 63.3666 0.2 . 1 . . . . 37 SER CB . 26773 1 208 . 1 1 37 37 SER N N 15 115.0488 0.05 . 1 . . . . 37 SER N . 26773 1 209 . 1 1 38 38 SER H H 1 6.9094 0.005 . 1 . . . . 38 SER H . 26773 1 210 . 1 1 38 38 SER HA H 1 4.1463 0.005 . 1 . . . . 38 SER HA . 26773 1 211 . 1 1 38 38 SER C C 13 175.3399 0.2 . 1 . . . . 38 SER C . 26773 1 212 . 1 1 38 38 SER CA C 13 58.3888 0.2 . 1 . . . . 38 SER CA . 26773 1 213 . 1 1 38 38 SER CB C 13 63.7991 0.2 . 1 . . . . 38 SER CB . 26773 1 214 . 1 1 38 38 SER N N 15 114.2262 0.05 . 1 . . . . 38 SER N . 26773 1 215 . 1 1 39 39 GLN H H 1 8.5467 0.005 . 1 . . . . 39 GLN H . 26773 1 216 . 1 1 39 39 GLN C C 13 173.7832 0.2 . 1 . . . . 39 GLN C . 26773 1 217 . 1 1 39 39 GLN CA C 13 54.675 0.2 . 1 . . . . 39 GLN CA . 26773 1 218 . 1 1 39 39 GLN CB C 13 28.3586 0.2 . 1 . . . . 39 GLN CB . 26773 1 219 . 1 1 39 39 GLN N N 15 125.6772 0.05 . 1 . . . . 39 GLN N . 26773 1 220 . 1 1 40 40 ASP H H 1 7.6727 0.005 . 1 . . . . 40 ASP H . 26773 1 221 . 1 1 40 40 ASP HA H 1 4.4814 0.005 . 1 . . . . 40 ASP HA . 26773 1 222 . 1 1 40 40 ASP C C 13 175.8863 0.2 . 1 . . . . 40 ASP C . 26773 1 223 . 1 1 40 40 ASP CA C 13 53.51 0.2 . 1 . . . . 40 ASP CA . 26773 1 224 . 1 1 40 40 ASP CB C 13 40.827 0.2 . 1 . . . . 40 ASP CB . 26773 1 225 . 1 1 40 40 ASP N N 15 119.2051 0.05 . 1 . . . . 40 ASP N . 26773 1 226 . 1 1 41 41 TYR H H 1 8.4926 0.005 . 1 . . . . 41 TYR H . 26773 1 227 . 1 1 41 41 TYR HA H 1 4.6442 0.005 . 1 . . . . 41 TYR HA . 26773 1 228 . 1 1 41 41 TYR C C 13 175.0276 0.2 . 1 . . . . 41 TYR C . 26773 1 229 . 1 1 41 41 TYR CA C 13 56.8475 0.2 . 1 . . . . 41 TYR CA . 26773 1 230 . 1 1 41 41 TYR CB C 13 38.5398 0.2 . 1 . . . . 41 TYR CB . 26773 1 231 . 1 1 41 41 TYR N N 15 125.5642 0.05 . 1 . . . . 41 TYR N . 26773 1 232 . 1 1 42 42 GLY H H 1 8.0532 0.005 . 1 . . . . 42 GLY H . 26773 1 233 . 1 1 42 42 GLY HA2 H 1 4.0547 0.005 . 1 . . . . 42 GLY HA2 . 26773 1 234 . 1 1 42 42 GLY HA3 H 1 4.0547 0.005 . 1 . . . . 42 GLY HA3 . 26773 1 235 . 1 1 42 42 GLY C C 13 173.8366 0.2 . 1 . . . . 42 GLY C . 26773 1 236 . 1 1 42 42 GLY CA C 13 44.4287 0.2 . 1 . . . . 42 GLY CA . 26773 1 237 . 1 1 42 42 GLY N N 15 106.971 0.05 . 1 . . . . 42 GLY N . 26773 1 238 . 1 1 43 43 ARG H H 1 8.9795 0.005 . 1 . . . . 43 ARG H . 26773 1 239 . 1 1 43 43 ARG HA H 1 4.5299 0.005 . 1 . . . . 43 ARG HA . 26773 1 240 . 1 1 43 43 ARG C C 13 174.9241 0.2 . 1 . . . . 43 ARG C . 26773 1 241 . 1 1 43 43 ARG CA C 13 56.0171 0.2 . 1 . . . . 43 ARG CA . 26773 1 242 . 1 1 43 43 ARG CB C 13 32.1085 0.2 . 1 . . . . 43 ARG CB . 26773 1 243 . 1 1 43 43 ARG N N 15 118.0864 0.05 . 1 . . . . 43 ARG N . 26773 1 244 . 1 1 44 44 ASP H H 1 7.7411 0.005 . 1 . . . . 44 ASP H . 26773 1 245 . 1 1 44 44 ASP HA H 1 4.6172 0.005 . 1 . . . . 44 ASP HA . 26773 1 246 . 1 1 44 44 ASP C C 13 174.8463 0.2 . 1 . . . . 44 ASP C . 26773 1 247 . 1 1 44 44 ASP CA C 13 52.2073 0.2 . 1 . . . . 44 ASP CA . 26773 1 248 . 1 1 44 44 ASP CB C 13 42.4686 0.2 . 1 . . . . 44 ASP CB . 26773 1 249 . 1 1 44 44 ASP N N 15 116.38 0.05 . 1 . . . . 44 ASP N . 26773 1 250 . 1 1 45 45 LEU H H 1 8.702 0.005 . 1 . . . . 45 LEU H . 26773 1 251 . 1 1 45 45 LEU HA H 1 3.9544 0.005 . 1 . . . . 45 LEU HA . 26773 1 252 . 1 1 45 45 LEU C C 13 177.9584 0.2 . 1 . . . . 45 LEU C . 26773 1 253 . 1 1 45 45 LEU CA C 13 58.9692 0.2 . 1 . . . . 45 LEU CA . 26773 1 254 . 1 1 45 45 LEU CB C 13 42.0406 0.2 . 1 . . . . 45 LEU CB . 26773 1 255 . 1 1 45 45 LEU N N 15 121.7119 0.05 . 1 . . . . 45 LEU N . 26773 1 256 . 1 1 46 46 GLN H H 1 8.4531 0.005 . 1 . . . . 46 GLN H . 26773 1 257 . 1 1 46 46 GLN HA H 1 4.0592 0.005 . 1 . . . . 46 GLN HA . 26773 1 258 . 1 1 46 46 GLN C C 13 178.9651 0.2 . 1 . . . . 46 GLN C . 26773 1 259 . 1 1 46 46 GLN CA C 13 59.1425 0.2 . 1 . . . . 46 GLN CA . 26773 1 260 . 1 1 46 46 GLN CB C 13 28.1604 0.2 . 1 . . . . 46 GLN CB . 26773 1 261 . 1 1 46 46 GLN N N 15 117.6114 0.05 . 1 . . . . 46 GLN N . 26773 1 262 . 1 1 47 47 GLY H H 1 8.6114 0.005 . 1 . . . . 47 GLY H . 26773 1 263 . 1 1 47 47 GLY HA2 H 1 4.2175 0.005 . 1 . . . . 47 GLY HA2 . 26773 1 264 . 1 1 47 47 GLY HA3 H 1 4.2175 0.005 . 1 . . . . 47 GLY HA3 . 26773 1 265 . 1 1 47 47 GLY C C 13 177.1906 0.2 . 1 . . . . 47 GLY C . 26773 1 266 . 1 1 47 47 GLY CA C 13 47.2606 0.2 . 1 . . . . 47 GLY CA . 26773 1 267 . 1 1 47 47 GLY N N 15 109.5018 0.05 . 1 . . . . 47 GLY N . 26773 1 268 . 1 1 48 48 VAL H H 1 8.6404 0.005 . 1 . . . . 48 VAL H . 26773 1 269 . 1 1 48 48 VAL HA H 1 3.8563 0.005 . 1 . . . . 48 VAL HA . 26773 1 270 . 1 1 48 48 VAL C C 13 177.7136 0.2 . 1 . . . . 48 VAL C . 26773 1 271 . 1 1 48 48 VAL CA C 13 66.4416 0.2 . 1 . . . . 48 VAL CA . 26773 1 272 . 1 1 48 48 VAL CB C 13 31.553 0.2 . 1 . . . . 48 VAL CB . 26773 1 273 . 1 1 48 48 VAL N N 15 122.644 0.05 . 1 . . . . 48 VAL N . 26773 1 274 . 1 1 49 49 GLN H H 1 8.4065 0.005 . 1 . . . . 49 GLN H . 26773 1 275 . 1 1 49 49 GLN HA H 1 4.0751 0.005 . 1 . . . . 49 GLN HA . 26773 1 276 . 1 1 49 49 GLN C C 13 179.6238 0.2 . 1 . . . . 49 GLN C . 26773 1 277 . 1 1 49 49 GLN CA C 13 60.0072 0.2 . 1 . . . . 49 GLN CA . 26773 1 278 . 1 1 49 49 GLN CB C 13 28.305 0.2 . 1 . . . . 49 GLN CB . 26773 1 279 . 1 1 49 49 GLN N N 15 120.1112 0.05 . 1 . . . . 49 GLN N . 26773 1 280 . 1 1 50 50 ASN H H 1 8.1426 0.005 . 1 . . . . 50 ASN H . 26773 1 281 . 1 1 50 50 ASN HA H 1 4.5425 0.005 . 1 . . . . 50 ASN HA . 26773 1 282 . 1 1 50 50 ASN C C 13 178.1574 0.2 . 1 . . . . 50 ASN C . 26773 1 283 . 1 1 50 50 ASN CA C 13 56.6094 0.2 . 1 . . . . 50 ASN CA . 26773 1 284 . 1 1 50 50 ASN CB C 13 38.6241 0.2 . 1 . . . . 50 ASN CB . 26773 1 285 . 1 1 50 50 ASN N N 15 118.8643 0.05 . 1 . . . . 50 ASN N . 26773 1 286 . 1 1 51 51 LEU H H 1 8.3069 0.005 . 1 . . . . 51 LEU H . 26773 1 287 . 1 1 51 51 LEU HA H 1 4.0706 0.005 . 1 . . . . 51 LEU HA . 26773 1 288 . 1 1 51 51 LEU C C 13 181.0977 0.2 . 1 . . . . 51 LEU C . 26773 1 289 . 1 1 51 51 LEU CA C 13 57.9775 0.2 . 1 . . . . 51 LEU CA . 26773 1 290 . 1 1 51 51 LEU CB C 13 42.456 0.2 . 1 . . . . 51 LEU CB . 26773 1 291 . 1 1 51 51 LEU N N 15 120.662 0.05 . 1 . . . . 51 LEU N . 26773 1 292 . 1 1 52 52 LEU H H 1 9.1142 0.005 . 1 . . . . 52 LEU H . 26773 1 293 . 1 1 52 52 LEU HA H 1 4.2159 0.005 . 1 . . . . 52 LEU HA . 26773 1 294 . 1 1 52 52 LEU C C 13 178.5012 0.2 . 1 . . . . 52 LEU C . 26773 1 295 . 1 1 52 52 LEU CA C 13 58.6002 0.2 . 1 . . . . 52 LEU CA . 26773 1 296 . 1 1 52 52 LEU CB C 13 42.1594 0.2 . 1 . . . . 52 LEU CB . 26773 1 297 . 1 1 52 52 LEU N N 15 123.7559 0.05 . 1 . . . . 52 LEU N . 26773 1 298 . 1 1 53 53 LYS H H 1 7.9583 0.005 . 1 . . . . 53 LYS H . 26773 1 299 . 1 1 53 53 LYS HA H 1 4.0582 0.005 . 1 . . . . 53 LYS HA . 26773 1 300 . 1 1 53 53 LYS C C 13 180.335 0.2 . 1 . . . . 53 LYS C . 26773 1 301 . 1 1 53 53 LYS CA C 13 60.3228 0.2 . 1 . . . . 53 LYS CA . 26773 1 302 . 1 1 53 53 LYS CB C 13 32.3231 0.2 . 1 . . . . 53 LYS CB . 26773 1 303 . 1 1 53 53 LYS N N 15 120.6742 0.05 . 1 . . . . 53 LYS N . 26773 1 304 . 1 1 54 54 LYS H H 1 7.7932 0.005 . 1 . . . . 54 LYS H . 26773 1 305 . 1 1 54 54 LYS HA H 1 4.0432 0.005 . 1 . . . . 54 LYS HA . 26773 1 306 . 1 1 54 54 LYS C C 13 179.59 0.2 . 1 . . . . 54 LYS C . 26773 1 307 . 1 1 54 54 LYS CA C 13 59.774 0.2 . 1 . . . . 54 LYS CA . 26773 1 308 . 1 1 54 54 LYS CB C 13 32.8073 0.2 . 1 . . . . 54 LYS CB . 26773 1 309 . 1 1 54 54 LYS N N 15 118.5862 0.05 . 1 . . . . 54 LYS N . 26773 1 310 . 1 1 55 55 HIS H H 1 8.7003 0.005 . 1 . . . . 55 HIS H . 26773 1 311 . 1 1 55 55 HIS HA H 1 4.2743 0.005 . 1 . . . . 55 HIS HA . 26773 1 312 . 1 1 55 55 HIS C C 13 177.1532 0.2 . 1 . . . . 55 HIS C . 26773 1 313 . 1 1 55 55 HIS CA C 13 60.876 0.2 . 1 . . . . 55 HIS CA . 26773 1 314 . 1 1 55 55 HIS CB C 13 31.9549 0.2 . 1 . . . . 55 HIS CB . 26773 1 315 . 1 1 55 55 HIS N N 15 122.6505 0.05 . 1 . . . . 55 HIS N . 26773 1 316 . 1 1 56 56 LYS H H 1 8.6756 0.005 . 1 . . . . 56 LYS H . 26773 1 317 . 1 1 56 56 LYS HA H 1 4.101 0.005 . 1 . . . . 56 LYS HA . 26773 1 318 . 1 1 56 56 LYS C C 13 180.5627 0.2 . 1 . . . . 56 LYS C . 26773 1 319 . 1 1 56 56 LYS CA C 13 58.9791 0.2 . 1 . . . . 56 LYS CA . 26773 1 320 . 1 1 56 56 LYS CB C 13 31.659 0.2 . 1 . . . . 56 LYS CB . 26773 1 321 . 1 1 56 56 LYS N N 15 118.4547 0.05 . 1 . . . . 56 LYS N . 26773 1 322 . 1 1 57 57 ARG H H 1 7.4596 0.005 . 1 . . . . 57 ARG H . 26773 1 323 . 1 1 57 57 ARG HA H 1 4.2031 0.005 . 1 . . . . 57 ARG HA . 26773 1 324 . 1 1 57 57 ARG C C 13 179.0122 0.2 . 1 . . . . 57 ARG C . 26773 1 325 . 1 1 57 57 ARG CA C 13 59.342 0.2 . 1 . . . . 57 ARG CA . 26773 1 326 . 1 1 57 57 ARG CB C 13 29.6213 0.2 . 1 . . . . 57 ARG CB . 26773 1 327 . 1 1 57 57 ARG N N 15 119.9399 0.05 . 1 . . . . 57 ARG N . 26773 1 328 . 1 1 58 58 LEU H H 1 7.5478 0.005 . 1 . . . . 58 LEU H . 26773 1 329 . 1 1 58 58 LEU HA H 1 4.2197 0.005 . 1 . . . . 58 LEU HA . 26773 1 330 . 1 1 58 58 LEU C C 13 178.9974 0.2 . 1 . . . . 58 LEU C . 26773 1 331 . 1 1 58 58 LEU CA C 13 58.8387 0.2 . 1 . . . . 58 LEU CA . 26773 1 332 . 1 1 58 58 LEU CB C 13 40.4426 0.2 . 1 . . . . 58 LEU CB . 26773 1 333 . 1 1 58 58 LEU N N 15 123.8422 0.05 . 1 . . . . 58 LEU N . 26773 1 334 . 1 1 59 59 GLU H H 1 8.6976 0.005 . 1 . . . . 59 GLU H . 26773 1 335 . 1 1 59 59 GLU HA H 1 3.7689 0.005 . 1 . . . . 59 GLU HA . 26773 1 336 . 1 1 59 59 GLU C C 13 180.0531 0.2 . 1 . . . . 59 GLU C . 26773 1 337 . 1 1 59 59 GLU CA C 13 60.6942 0.2 . 1 . . . . 59 GLU CA . 26773 1 338 . 1 1 59 59 GLU CB C 13 29.6813 0.2 . 1 . . . . 59 GLU CB . 26773 1 339 . 1 1 59 59 GLU N N 15 119.1279 0.05 . 1 . . . . 59 GLU N . 26773 1 340 . 1 1 60 60 GLY H H 1 7.895 0.005 . 1 . . . . 60 GLY H . 26773 1 341 . 1 1 60 60 GLY HA2 H 1 4.0119 0.005 . 1 . . . . 60 GLY HA2 . 26773 1 342 . 1 1 60 60 GLY HA3 H 1 4.0119 0.005 . 1 . . . . 60 GLY HA3 . 26773 1 343 . 1 1 60 60 GLY C C 13 177.0836 0.2 . 1 . . . . 60 GLY C . 26773 1 344 . 1 1 60 60 GLY CA C 13 47.1682 0.2 . 1 . . . . 60 GLY CA . 26773 1 345 . 1 1 60 60 GLY N N 15 105.4126 0.05 . 1 . . . . 60 GLY N . 26773 1 346 . 1 1 61 61 GLU H H 1 8.1817 0.005 . 1 . . . . 61 GLU H . 26773 1 347 . 1 1 61 61 GLU HA H 1 4.3426 0.005 . 1 . . . . 61 GLU HA . 26773 1 348 . 1 1 61 61 GLU C C 13 179.5696 0.2 . 1 . . . . 61 GLU C . 26773 1 349 . 1 1 61 61 GLU CA C 13 59.8701 0.2 . 1 . . . . 61 GLU CA . 26773 1 350 . 1 1 61 61 GLU CB C 13 30.3594 0.2 . 1 . . . . 61 GLU CB . 26773 1 351 . 1 1 61 61 GLU N N 15 124.4476 0.05 . 1 . . . . 61 GLU N . 26773 1 352 . 1 1 62 62 LEU H H 1 8.5416 0.005 . 1 . . . . 62 LEU H . 26773 1 353 . 1 1 62 62 LEU HA H 1 4.0736 0.005 . 1 . . . . 62 LEU HA . 26773 1 354 . 1 1 62 62 LEU C C 13 179.8316 0.2 . 1 . . . . 62 LEU C . 26773 1 355 . 1 1 62 62 LEU CA C 13 59.6583 0.2 . 1 . . . . 62 LEU CA . 26773 1 356 . 1 1 62 62 LEU CB C 13 41.3238 0.2 . 1 . . . . 62 LEU CB . 26773 1 357 . 1 1 62 62 LEU N N 15 119.8723 0.05 . 1 . . . . 62 LEU N . 26773 1 358 . 1 1 63 63 VAL H H 1 7.6254 0.005 . 1 . . . . 63 VAL H . 26773 1 359 . 1 1 63 63 VAL HA H 1 3.9733 0.005 . 1 . . . . 63 VAL HA . 26773 1 360 . 1 1 63 63 VAL C C 13 179.5602 0.2 . 1 . . . . 63 VAL C . 26773 1 361 . 1 1 63 63 VAL CA C 13 66.2361 0.2 . 1 . . . . 63 VAL CA . 26773 1 362 . 1 1 63 63 VAL CB C 13 32.1593 0.2 . 1 . . . . 63 VAL CB . 26773 1 363 . 1 1 63 63 VAL N N 15 117.9499 0.05 . 1 . . . . 63 VAL N . 26773 1 364 . 1 1 64 64 ALA H H 1 7.979 0.005 . 1 . . . . 64 ALA H . 26773 1 365 . 1 1 64 64 ALA HA H 1 4.2302 0.005 . 1 . . . . 64 ALA HA . 26773 1 366 . 1 1 64 64 ALA C C 13 179.0665 0.2 . 1 . . . . 64 ALA C . 26773 1 367 . 1 1 64 64 ALA CA C 13 54.2825 0.2 . 1 . . . . 64 ALA CA . 26773 1 368 . 1 1 64 64 ALA CB C 13 18.658 0.2 . 1 . . . . 64 ALA CB . 26773 1 369 . 1 1 64 64 ALA N N 15 121.2207 0.05 . 1 . . . . 64 ALA N . 26773 1 370 . 1 1 65 65 HIS H H 1 8.1209 0.005 . 1 . . . . 65 HIS H . 26773 1 371 . 1 1 65 65 HIS HA H 1 4.2246 0.005 . 1 . . . . 65 HIS HA . 26773 1 372 . 1 1 65 65 HIS C C 13 175.3912 0.2 . 1 . . . . 65 HIS C . 26773 1 373 . 1 1 65 65 HIS CA C 13 56.3154 0.2 . 1 . . . . 65 HIS CA . 26773 1 374 . 1 1 65 65 HIS CB C 13 30.0019 0.2 . 1 . . . . 65 HIS CB . 26773 1 375 . 1 1 65 65 HIS N N 15 115.0286 0.05 . 1 . . . . 65 HIS N . 26773 1 376 . 1 1 66 66 GLU H H 1 7.6413 0.005 . 1 . . . . 66 GLU H . 26773 1 377 . 1 1 66 66 GLU C C 13 174.7168 0.2 . 1 . . . . 66 GLU C . 26773 1 378 . 1 1 66 66 GLU CA C 13 62.0721 0.2 . 1 . . . . 66 GLU CA . 26773 1 379 . 1 1 66 66 GLU CB C 13 27.336 0.2 . 1 . . . . 66 GLU CB . 26773 1 380 . 1 1 66 66 GLU N N 15 120.7798 0.05 . 1 . . . . 66 GLU N . 26773 1 381 . 1 1 67 67 PRO C C 13 178.7742 0.2 . 1 . . . . 67 PRO C . 26773 1 382 . 1 1 67 67 PRO CA C 13 65.9462 0.2 . 1 . . . . 67 PRO CA . 26773 1 383 . 1 1 67 67 PRO CB C 13 30.7923 0.2 . 1 . . . . 67 PRO CB . 26773 1 384 . 1 1 68 68 ALA H H 1 7.0858 0.005 . 1 . . . . 68 ALA H . 26773 1 385 . 1 1 68 68 ALA HA H 1 3.981 0.005 . 1 . . . . 68 ALA HA . 26773 1 386 . 1 1 68 68 ALA C C 13 180.4582 0.2 . 1 . . . . 68 ALA C . 26773 1 387 . 1 1 68 68 ALA CA C 13 54.6317 0.2 . 1 . . . . 68 ALA CA . 26773 1 388 . 1 1 68 68 ALA CB C 13 17.646 0.2 . 1 . . . . 68 ALA CB . 26773 1 389 . 1 1 68 68 ALA N N 15 120.9669 0.05 . 1 . . . . 68 ALA N . 26773 1 390 . 1 1 69 69 ILE H H 1 7.3808 0.005 . 1 . . . . 69 ILE H . 26773 1 391 . 1 1 69 69 ILE HA H 1 3.4844 0.005 . 1 . . . . 69 ILE HA . 26773 1 392 . 1 1 69 69 ILE C C 13 178.1994 0.2 . 1 . . . . 69 ILE C . 26773 1 393 . 1 1 69 69 ILE CA C 13 63.3997 0.2 . 1 . . . . 69 ILE CA . 26773 1 394 . 1 1 69 69 ILE CB C 13 36.1179 0.2 . 1 . . . . 69 ILE CB . 26773 1 395 . 1 1 69 69 ILE N N 15 119.9844 0.05 . 1 . . . . 69 ILE N . 26773 1 396 . 1 1 70 70 GLN H H 1 8.1165 0.005 . 1 . . . . 70 GLN H . 26773 1 397 . 1 1 70 70 GLN HA H 1 3.8268 0.005 . 1 . . . . 70 GLN HA . 26773 1 398 . 1 1 70 70 GLN C C 13 178.0739 0.2 . 1 . . . . 70 GLN C . 26773 1 399 . 1 1 70 70 GLN CA C 13 58.2635 0.2 . 1 . . . . 70 GLN CA . 26773 1 400 . 1 1 70 70 GLN CB C 13 28.1145 0.2 . 1 . . . . 70 GLN CB . 26773 1 401 . 1 1 70 70 GLN N N 15 117.8163 0.05 . 1 . . . . 70 GLN N . 26773 1 402 . 1 1 71 71 ASN H H 1 8.0314 0.005 . 1 . . . . 71 ASN H . 26773 1 403 . 1 1 71 71 ASN HA H 1 4.4681 0.005 . 1 . . . . 71 ASN HA . 26773 1 404 . 1 1 71 71 ASN C C 13 177.531 0.2 . 1 . . . . 71 ASN C . 26773 1 405 . 1 1 71 71 ASN CA C 13 56.8086 0.2 . 1 . . . . 71 ASN CA . 26773 1 406 . 1 1 71 71 ASN CB C 13 38.7059 0.2 . 1 . . . . 71 ASN CB . 26773 1 407 . 1 1 71 71 ASN N N 15 116.6005 0.05 . 1 . . . . 71 ASN N . 26773 1 408 . 1 1 72 72 VAL H H 1 7.4737 0.005 . 1 . . . . 72 VAL H . 26773 1 409 . 1 1 72 72 VAL HA H 1 4.0918 0.005 . 1 . . . . 72 VAL HA . 26773 1 410 . 1 1 72 72 VAL C C 13 177.642 0.2 . 1 . . . . 72 VAL C . 26773 1 411 . 1 1 72 72 VAL CA C 13 67.2797 0.2 . 1 . . . . 72 VAL CA . 26773 1 412 . 1 1 72 72 VAL CB C 13 31.4615 0.2 . 1 . . . . 72 VAL CB . 26773 1 413 . 1 1 72 72 VAL N N 15 120.1429 0.05 . 1 . . . . 72 VAL N . 26773 1 414 . 1 1 73 73 LEU H H 1 7.6492 0.005 . 1 . . . . 73 LEU H . 26773 1 415 . 1 1 73 73 LEU HA H 1 4.0307 0.005 . 1 . . . . 73 LEU HA . 26773 1 416 . 1 1 73 73 LEU C C 13 180.2555 0.2 . 1 . . . . 73 LEU C . 26773 1 417 . 1 1 73 73 LEU CA C 13 58.2733 0.2 . 1 . . . . 73 LEU CA . 26773 1 418 . 1 1 73 73 LEU CB C 13 40.782 0.2 . 1 . . . . 73 LEU CB . 26773 1 419 . 1 1 73 73 LEU N N 15 118.9311 0.05 . 1 . . . . 73 LEU N . 26773 1 420 . 1 1 74 74 ASP H H 1 8.7965 0.005 . 1 . . . . 74 ASP H . 26773 1 421 . 1 1 74 74 ASP C C 13 179.5241 0.2 . 1 . . . . 74 ASP C . 26773 1 422 . 1 1 74 74 ASP CA C 13 57.3421 0.2 . 1 . . . . 74 ASP CA . 26773 1 423 . 1 1 74 74 ASP CB C 13 40.8029 0.2 . 1 . . . . 74 ASP CB . 26773 1 424 . 1 1 74 74 ASP N N 15 120.7864 0.05 . 1 . . . . 74 ASP N . 26773 1 425 . 1 1 75 75 MET H H 1 8.3622 0.005 . 1 . . . . 75 MET H . 26773 1 426 . 1 1 75 75 MET HA H 1 4.0977 0.005 . 1 . . . . 75 MET HA . 26773 1 427 . 1 1 75 75 MET C C 13 178.0673 0.2 . 1 . . . . 75 MET C . 26773 1 428 . 1 1 75 75 MET CA C 13 57.5088 0.2 . 1 . . . . 75 MET CA . 26773 1 429 . 1 1 75 75 MET CB C 13 32.2422 0.2 . 1 . . . . 75 MET CB . 26773 1 430 . 1 1 75 75 MET N N 15 120.4442 0.05 . 1 . . . . 75 MET N . 26773 1 431 . 1 1 76 76 ALA H H 1 8.238 0.005 . 1 . . . . 76 ALA H . 26773 1 432 . 1 1 76 76 ALA C C 13 179.6669 0.2 . 1 . . . . 76 ALA C . 26773 1 433 . 1 1 76 76 ALA CA C 13 55.0897 0.2 . 1 . . . . 76 ALA CA . 26773 1 434 . 1 1 76 76 ALA CB C 13 19.1257 0.2 . 1 . . . . 76 ALA CB . 26773 1 435 . 1 1 76 76 ALA N N 15 120.9662 0.05 . 1 . . . . 76 ALA N . 26773 1 436 . 1 1 77 77 GLU H H 1 7.3904 0.005 . 1 . . . . 77 GLU H . 26773 1 437 . 1 1 77 77 GLU HA H 1 3.9784 0.005 . 1 . . . . 77 GLU HA . 26773 1 438 . 1 1 77 77 GLU C C 13 179.0241 0.2 . 1 . . . . 77 GLU C . 26773 1 439 . 1 1 77 77 GLU CA C 13 58.7871 0.2 . 1 . . . . 77 GLU CA . 26773 1 440 . 1 1 77 77 GLU CB C 13 29.4626 0.2 . 1 . . . . 77 GLU CB . 26773 1 441 . 1 1 77 77 GLU N N 15 116.1174 0.05 . 1 . . . . 77 GLU N . 26773 1 442 . 1 1 78 78 LYS H H 1 7.6031 0.005 . 1 . . . . 78 LYS H . 26773 1 443 . 1 1 78 78 LYS HA H 1 4.0609 0.005 . 1 . . . . 78 LYS HA . 26773 1 444 . 1 1 78 78 LYS C C 13 178.7325 0.2 . 1 . . . . 78 LYS C . 26773 1 445 . 1 1 78 78 LYS CA C 13 58.6508 0.2 . 1 . . . . 78 LYS CA . 26773 1 446 . 1 1 78 78 LYS CB C 13 32.6108 0.2 . 1 . . . . 78 LYS CB . 26773 1 447 . 1 1 78 78 LYS N N 15 118.6399 0.05 . 1 . . . . 78 LYS N . 26773 1 448 . 1 1 79 79 LEU H H 1 7.7266 0.005 . 1 . . . . 79 LEU H . 26773 1 449 . 1 1 79 79 LEU HA H 1 4.1872 0.005 . 1 . . . . 79 LEU HA . 26773 1 450 . 1 1 79 79 LEU C C 13 177.9134 0.2 . 1 . . . . 79 LEU C . 26773 1 451 . 1 1 79 79 LEU CA C 13 55.2872 0.2 . 1 . . . . 79 LEU CA . 26773 1 452 . 1 1 79 79 LEU CB C 13 42.2673 0.2 . 1 . . . . 79 LEU CB . 26773 1 453 . 1 1 79 79 LEU N N 15 117.8269 0.05 . 1 . . . . 79 LEU N . 26773 1 454 . 1 1 80 80 LYS H H 1 7.3595 0.005 . 1 . . . . 80 LYS H . 26773 1 455 . 1 1 80 80 LYS HA H 1 3.8582 0.005 . 1 . . . . 80 LYS HA . 26773 1 456 . 1 1 80 80 LYS C C 13 176.6745 0.2 . 1 . . . . 80 LYS C . 26773 1 457 . 1 1 80 80 LYS CA C 13 59.3322 0.2 . 1 . . . . 80 LYS CA . 26773 1 458 . 1 1 80 80 LYS CB C 13 32.3612 0.2 . 1 . . . . 80 LYS CB . 26773 1 459 . 1 1 80 80 LYS N N 15 118.7809 0.05 . 1 . . . . 80 LYS N . 26773 1 460 . 1 1 81 81 ASP H H 1 8.0217 0.005 . 1 . . . . 81 ASP H . 26773 1 461 . 1 1 81 81 ASP HA H 1 4.5607 0.005 . 1 . . . . 81 ASP HA . 26773 1 462 . 1 1 81 81 ASP C C 13 176.8576 0.2 . 1 . . . . 81 ASP C . 26773 1 463 . 1 1 81 81 ASP CA C 13 54.9517 0.2 . 1 . . . . 81 ASP CA . 26773 1 464 . 1 1 81 81 ASP CB C 13 40.9011 0.2 . 1 . . . . 81 ASP CB . 26773 1 465 . 1 1 81 81 ASP N N 15 117.0617 0.05 . 1 . . . . 81 ASP N . 26773 1 466 . 1 1 82 82 LYS H H 1 7.846 0.005 . 1 . . . . 82 LYS H . 26773 1 467 . 1 1 82 82 LYS HA H 1 4.3616 0.005 . 1 . . . . 82 LYS HA . 26773 1 468 . 1 1 82 82 LYS C C 13 177.0607 0.2 . 1 . . . . 82 LYS C . 26773 1 469 . 1 1 82 82 LYS CA C 13 55.5247 0.2 . 1 . . . . 82 LYS CA . 26773 1 470 . 1 1 82 82 LYS CB C 13 32.2411 0.2 . 1 . . . . 82 LYS CB . 26773 1 471 . 1 1 82 82 LYS N N 15 119.3653 0.05 . 1 . . . . 82 LYS N . 26773 1 472 . 1 1 83 83 ALA H H 1 8.3624 0.005 . 1 . . . . 83 ALA H . 26773 1 473 . 1 1 83 83 ALA HA H 1 4.1981 0.005 . 1 . . . . 83 ALA HA . 26773 1 474 . 1 1 83 83 ALA C C 13 178.2683 0.2 . 1 . . . . 83 ALA C . 26773 1 475 . 1 1 83 83 ALA CA C 13 53.8278 0.2 . 1 . . . . 83 ALA CA . 26773 1 476 . 1 1 83 83 ALA CB C 13 18.6529 0.2 . 1 . . . . 83 ALA CB . 26773 1 477 . 1 1 83 83 ALA N N 15 125.2557 0.05 . 1 . . . . 83 ALA N . 26773 1 478 . 1 1 84 84 ALA H H 1 8.3639 0.005 . 1 . . . . 84 ALA H . 26773 1 479 . 1 1 84 84 ALA HA H 1 4.2809 0.005 . 1 . . . . 84 ALA HA . 26773 1 480 . 1 1 84 84 ALA C C 13 178.1017 0.2 . 1 . . . . 84 ALA C . 26773 1 481 . 1 1 84 84 ALA CA C 13 53.7572 0.2 . 1 . . . . 84 ALA CA . 26773 1 482 . 1 1 84 84 ALA CB C 13 19.6151 0.2 . 1 . . . . 84 ALA CB . 26773 1 483 . 1 1 84 84 ALA N N 15 119.5713 0.05 . 1 . . . . 84 ALA N . 26773 1 484 . 1 1 85 85 VAL H H 1 7.4133 0.005 . 1 . . . . 85 VAL H . 26773 1 485 . 1 1 85 85 VAL HA H 1 4.1308 0.005 . 1 . . . . 85 VAL HA . 26773 1 486 . 1 1 85 85 VAL C C 13 175.9347 0.2 . 1 . . . . 85 VAL C . 26773 1 487 . 1 1 85 85 VAL CA C 13 62.7012 0.2 . 1 . . . . 85 VAL CA . 26773 1 488 . 1 1 85 85 VAL CB C 13 32.8413 0.2 . 1 . . . . 85 VAL CB . 26773 1 489 . 1 1 85 85 VAL N N 15 115.0915 0.05 . 1 . . . . 85 VAL N . 26773 1 490 . 1 1 86 86 GLY H H 1 8.3003 0.005 . 1 . . . . 86 GLY H . 26773 1 491 . 1 1 86 86 GLY HA2 H 1 3.9324 0.005 . 1 . . . . 86 GLY HA2 . 26773 1 492 . 1 1 86 86 GLY HA3 H 1 3.9324 0.005 . 1 . . . . 86 GLY HA3 . 26773 1 493 . 1 1 86 86 GLY C C 13 174.7952 0.2 . 1 . . . . 86 GLY C . 26773 1 494 . 1 1 86 86 GLY CA C 13 45.8565 0.2 . 1 . . . . 86 GLY CA . 26773 1 495 . 1 1 86 86 GLY N N 15 108.508 0.05 . 1 . . . . 86 GLY N . 26773 1 496 . 1 1 87 87 GLN H H 1 7.7895 0.005 . 1 . . . . 87 GLN H . 26773 1 497 . 1 1 87 87 GLN C C 13 177.4255 0.2 . 1 . . . . 87 GLN C . 26773 1 498 . 1 1 87 87 GLN CA C 13 57.4606 0.2 . 1 . . . . 87 GLN CA . 26773 1 499 . 1 1 87 87 GLN CB C 13 29.3173 0.2 . 1 . . . . 87 GLN CB . 26773 1 500 . 1 1 87 87 GLN N N 15 119.6001 0.05 . 1 . . . . 87 GLN N . 26773 1 501 . 1 1 88 88 GLU H H 1 8.9822 0.005 . 1 . . . . 88 GLU H . 26773 1 502 . 1 1 88 88 GLU C C 13 178.3304 0.2 . 1 . . . . 88 GLU C . 26773 1 503 . 1 1 88 88 GLU CA C 13 60.1565 0.2 . 1 . . . . 88 GLU CA . 26773 1 504 . 1 1 88 88 GLU CB C 13 29.4555 0.2 . 1 . . . . 88 GLU CB . 26773 1 505 . 1 1 88 88 GLU N N 15 122.4116 0.05 . 1 . . . . 88 GLU N . 26773 1 506 . 1 1 89 89 GLU H H 1 8.6879 0.005 . 1 . . . . 89 GLU H . 26773 1 507 . 1 1 89 89 GLU HA H 1 4.0802 0.005 . 1 . . . . 89 GLU HA . 26773 1 508 . 1 1 89 89 GLU C C 13 179.1812 0.2 . 1 . . . . 89 GLU C . 26773 1 509 . 1 1 89 89 GLU CA C 13 59.6826 0.2 . 1 . . . . 89 GLU CA . 26773 1 510 . 1 1 89 89 GLU CB C 13 29.4866 0.2 . 1 . . . . 89 GLU CB . 26773 1 511 . 1 1 89 89 GLU N N 15 118.4789 0.05 . 1 . . . . 89 GLU N . 26773 1 512 . 1 1 90 90 ILE H H 1 7.6556 0.005 . 1 . . . . 90 ILE H . 26773 1 513 . 1 1 90 90 ILE HA H 1 3.9709 0.005 . 1 . . . . 90 ILE HA . 26773 1 514 . 1 1 90 90 ILE C C 13 177.4608 0.2 . 1 . . . . 90 ILE C . 26773 1 515 . 1 1 90 90 ILE CA C 13 63.3627 0.2 . 1 . . . . 90 ILE CA . 26773 1 516 . 1 1 90 90 ILE CB C 13 36.9095 0.2 . 1 . . . . 90 ILE CB . 26773 1 517 . 1 1 90 90 ILE N N 15 118.502 0.05 . 1 . . . . 90 ILE N . 26773 1 518 . 1 1 91 91 GLN H H 1 8.1447 0.005 . 1 . . . . 91 GLN H . 26773 1 519 . 1 1 91 91 GLN HA H 1 4.0526 0.005 . 1 . . . . 91 GLN HA . 26773 1 520 . 1 1 91 91 GLN C C 13 179.4471 0.2 . 1 . . . . 91 GLN C . 26773 1 521 . 1 1 91 91 GLN CA C 13 59.3401 0.2 . 1 . . . . 91 GLN CA . 26773 1 522 . 1 1 91 91 GLN CB C 13 28.3179 0.2 . 1 . . . . 91 GLN CB . 26773 1 523 . 1 1 91 91 GLN N N 15 119.2451 0.05 . 1 . . . . 91 GLN N . 26773 1 524 . 1 1 92 92 LEU H H 1 8.3043 0.005 . 1 . . . . 92 LEU H . 26773 1 525 . 1 1 92 92 LEU HA H 1 4.2488 0.005 . 1 . . . . 92 LEU HA . 26773 1 526 . 1 1 92 92 LEU C C 13 179.4754 0.2 . 1 . . . . 92 LEU C . 26773 1 527 . 1 1 92 92 LEU CA C 13 58.1481 0.2 . 1 . . . . 92 LEU CA . 26773 1 528 . 1 1 92 92 LEU CB C 13 41.8287 0.2 . 1 . . . . 92 LEU CB . 26773 1 529 . 1 1 92 92 LEU N N 15 120.9065 0.05 . 1 . . . . 92 LEU N . 26773 1 530 . 1 1 93 93 ARG H H 1 7.8823 0.005 . 1 . . . . 93 ARG H . 26773 1 531 . 1 1 93 93 ARG HA H 1 4.1728 0.005 . 1 . . . . 93 ARG HA . 26773 1 532 . 1 1 93 93 ARG C C 13 180.1822 0.2 . 1 . . . . 93 ARG C . 26773 1 533 . 1 1 93 93 ARG CA C 13 59.1293 0.2 . 1 . . . . 93 ARG CA . 26773 1 534 . 1 1 93 93 ARG CB C 13 30.2658 0.2 . 1 . . . . 93 ARG CB . 26773 1 535 . 1 1 93 93 ARG N N 15 119.873 0.05 . 1 . . . . 93 ARG N . 26773 1 536 . 1 1 94 94 LEU H H 1 8.7921 0.005 . 1 . . . . 94 LEU H . 26773 1 537 . 1 1 94 94 LEU HA H 1 4.1917 0.005 . 1 . . . . 94 LEU HA . 26773 1 538 . 1 1 94 94 LEU C C 13 178.5099 0.2 . 1 . . . . 94 LEU C . 26773 1 539 . 1 1 94 94 LEU CA C 13 57.8647 0.2 . 1 . . . . 94 LEU CA . 26773 1 540 . 1 1 94 94 LEU CB C 13 42.0765 0.2 . 1 . . . . 94 LEU CB . 26773 1 541 . 1 1 94 94 LEU N N 15 121.2883 0.05 . 1 . . . . 94 LEU N . 26773 1 542 . 1 1 95 95 ALA H H 1 8.0559 0.005 . 1 . . . . 95 ALA H . 26773 1 543 . 1 1 95 95 ALA HA H 1 4.2334 0.005 . 1 . . . . 95 ALA HA . 26773 1 544 . 1 1 95 95 ALA C C 13 181.1091 0.2 . 1 . . . . 95 ALA C . 26773 1 545 . 1 1 95 95 ALA CA C 13 55.441 0.2 . 1 . . . . 95 ALA CA . 26773 1 546 . 1 1 95 95 ALA CB C 13 17.9397 0.2 . 1 . . . . 95 ALA CB . 26773 1 547 . 1 1 95 95 ALA N N 15 122.2513 0.05 . 1 . . . . 95 ALA N . 26773 1 548 . 1 1 96 96 GLN H H 1 7.9423 0.005 . 1 . . . . 96 GLN H . 26773 1 549 . 1 1 96 96 GLN HA H 1 3.9665 0.005 . 1 . . . . 96 GLN HA . 26773 1 550 . 1 1 96 96 GLN C C 13 176.9361 0.2 . 1 . . . . 96 GLN C . 26773 1 551 . 1 1 96 96 GLN CA C 13 58.6017 0.2 . 1 . . . . 96 GLN CA . 26773 1 552 . 1 1 96 96 GLN CB C 13 29.0495 0.2 . 1 . . . . 96 GLN CB . 26773 1 553 . 1 1 96 96 GLN N N 15 117.5511 0.05 . 1 . . . . 96 GLN N . 26773 1 554 . 1 1 97 97 PHE H H 1 8.1453 0.005 . 1 . . . . 97 PHE H . 26773 1 555 . 1 1 97 97 PHE HA H 1 4.5484 0.005 . 1 . . . . 97 PHE HA . 26773 1 556 . 1 1 97 97 PHE C C 13 176.7395 0.2 . 1 . . . . 97 PHE C . 26773 1 557 . 1 1 97 97 PHE CA C 13 60.942 0.2 . 1 . . . . 97 PHE CA . 26773 1 558 . 1 1 97 97 PHE CB C 13 40.0043 0.2 . 1 . . . . 97 PHE CB . 26773 1 559 . 1 1 97 97 PHE N N 15 122.4846 0.05 . 1 . . . . 97 PHE N . 26773 1 560 . 1 1 98 98 VAL H H 1 8.2449 0.005 . 1 . . . . 98 VAL H . 26773 1 561 . 1 1 98 98 VAL HA H 1 4.5713 0.005 . 1 . . . . 98 VAL HA . 26773 1 562 . 1 1 98 98 VAL C C 13 178.1092 0.2 . 1 . . . . 98 VAL C . 26773 1 563 . 1 1 98 98 VAL CA C 13 67.2108 0.2 . 1 . . . . 98 VAL CA . 26773 1 564 . 1 1 98 98 VAL CB C 13 32.0776 0.2 . 1 . . . . 98 VAL CB . 26773 1 565 . 1 1 98 98 VAL N N 15 117.9404 0.05 . 1 . . . . 98 VAL N . 26773 1 566 . 1 1 99 99 GLU H H 1 7.8588 0.005 . 1 . . . . 99 GLU H . 26773 1 567 . 1 1 99 99 GLU HA H 1 4.0913 0.005 . 1 . . . . 99 GLU HA . 26773 1 568 . 1 1 99 99 GLU C C 13 180.0117 0.2 . 1 . . . . 99 GLU C . 26773 1 569 . 1 1 99 99 GLU CA C 13 59.8255 0.2 . 1 . . . . 99 GLU CA . 26773 1 570 . 1 1 99 99 GLU CB C 13 29.5184 0.2 . 1 . . . . 99 GLU CB . 26773 1 571 . 1 1 99 99 GLU N N 15 119.4536 0.05 . 1 . . . . 99 GLU N . 26773 1 572 . 1 1 100 100 HIS H H 1 8.7681 0.005 . 1 . . . . 100 HIS H . 26773 1 573 . 1 1 100 100 HIS HA H 1 4.4565 0.005 . 1 . . . . 100 HIS HA . 26773 1 574 . 1 1 100 100 HIS C C 13 176.4863 0.2 . 1 . . . . 100 HIS C . 26773 1 575 . 1 1 100 100 HIS CA C 13 58.19 0.2 . 1 . . . . 100 HIS CA . 26773 1 576 . 1 1 100 100 HIS CB C 13 28.7096 0.2 . 1 . . . . 100 HIS CB . 26773 1 577 . 1 1 100 100 HIS N N 15 118.5534 0.05 . 1 . . . . 100 HIS N . 26773 1 578 . 1 1 101 101 TRP H H 1 8.6341 0.005 . 1 . . . . 101 TRP H . 26773 1 579 . 1 1 101 101 TRP HA H 1 4.7892 0.005 . 1 . . . . 101 TRP HA . 26773 1 580 . 1 1 101 101 TRP C C 13 176.9305 0.2 . 1 . . . . 101 TRP C . 26773 1 581 . 1 1 101 101 TRP CA C 13 59.4057 0.2 . 1 . . . . 101 TRP CA . 26773 1 582 . 1 1 101 101 TRP CB C 13 30.3438 0.2 . 1 . . . . 101 TRP CB . 26773 1 583 . 1 1 101 101 TRP N N 15 122.4633 0.05 . 1 . . . . 101 TRP N . 26773 1 584 . 1 1 102 102 GLU H H 1 8.6164 0.005 . 1 . . . . 102 GLU H . 26773 1 585 . 1 1 102 102 GLU HA H 1 4.292 0.005 . 1 . . . . 102 GLU HA . 26773 1 586 . 1 1 102 102 GLU C C 13 179.9422 0.2 . 1 . . . . 102 GLU C . 26773 1 587 . 1 1 102 102 GLU CA C 13 59.461 0.2 . 1 . . . . 102 GLU CA . 26773 1 588 . 1 1 102 102 GLU CB C 13 28.9001 0.2 . 1 . . . . 102 GLU CB . 26773 1 589 . 1 1 102 102 GLU N N 15 116.3831 0.05 . 1 . . . . 102 GLU N . 26773 1 590 . 1 1 103 103 LYS H H 1 8.3583 0.005 . 1 . . . . 103 LYS H . 26773 1 591 . 1 1 103 103 LYS HA H 1 4.0878 0.005 . 1 . . . . 103 LYS HA . 26773 1 592 . 1 1 103 103 LYS C C 13 177.8812 0.2 . 1 . . . . 103 LYS C . 26773 1 593 . 1 1 103 103 LYS CA C 13 58.6129 0.2 . 1 . . . . 103 LYS CA . 26773 1 594 . 1 1 103 103 LYS CB C 13 31.9296 0.2 . 1 . . . . 103 LYS CB . 26773 1 595 . 1 1 103 103 LYS N N 15 120.8526 0.05 . 1 . . . . 103 LYS N . 26773 1 596 . 1 1 104 104 LEU H H 1 8.2721 0.005 . 1 . . . . 104 LEU H . 26773 1 597 . 1 1 104 104 LEU HA H 1 3.9224 0.005 . 1 . . . . 104 LEU HA . 26773 1 598 . 1 1 104 104 LEU C C 13 177.892 0.2 . 1 . . . . 104 LEU C . 26773 1 599 . 1 1 104 104 LEU CA C 13 58.6263 0.2 . 1 . . . . 104 LEU CA . 26773 1 600 . 1 1 104 104 LEU CB C 13 40.6713 0.2 . 1 . . . . 104 LEU CB . 26773 1 601 . 1 1 104 104 LEU N N 15 120.971 0.05 . 1 . . . . 104 LEU N . 26773 1 602 . 1 1 105 105 LYS H H 1 7.6852 0.005 . 1 . . . . 105 LYS H . 26773 1 603 . 1 1 105 105 LYS HA H 1 3.5822 0.005 . 1 . . . . 105 LYS HA . 26773 1 604 . 1 1 105 105 LYS C C 13 179.8893 0.2 . 1 . . . . 105 LYS C . 26773 1 605 . 1 1 105 105 LYS CA C 13 60.7718 0.2 . 1 . . . . 105 LYS CA . 26773 1 606 . 1 1 105 105 LYS CB C 13 31.9262 0.2 . 1 . . . . 105 LYS CB . 26773 1 607 . 1 1 105 105 LYS N N 15 116.8177 0.05 . 1 . . . . 105 LYS N . 26773 1 608 . 1 1 106 106 GLU H H 1 7.9447 0.005 . 1 . . . . 106 GLU H . 26773 1 609 . 1 1 106 106 GLU HA H 1 3.9991 0.005 . 1 . . . . 106 GLU HA . 26773 1 610 . 1 1 106 106 GLU C C 13 179.7394 0.2 . 1 . . . . 106 GLU C . 26773 1 611 . 1 1 106 106 GLU CA C 13 59.453 0.2 . 1 . . . . 106 GLU CA . 26773 1 612 . 1 1 106 106 GLU CB C 13 29.9538 0.2 . 1 . . . . 106 GLU CB . 26773 1 613 . 1 1 106 106 GLU N N 15 120.0973 0.05 . 1 . . . . 106 GLU N . 26773 1 614 . 1 1 107 107 LEU H H 1 9.012 0.005 . 1 . . . . 107 LEU H . 26773 1 615 . 1 1 107 107 LEU HA H 1 4.1551 0.005 . 1 . . . . 107 LEU HA . 26773 1 616 . 1 1 107 107 LEU C C 13 180.3961 0.2 . 1 . . . . 107 LEU C . 26773 1 617 . 1 1 107 107 LEU CA C 13 57.6419 0.2 . 1 . . . . 107 LEU CA . 26773 1 618 . 1 1 107 107 LEU CB C 13 42.21 0.2 . 1 . . . . 107 LEU CB . 26773 1 619 . 1 1 107 107 LEU N N 15 121.3356 0.05 . 1 . . . . 107 LEU N . 26773 1 620 . 1 1 108 108 ALA H H 1 8.8642 0.005 . 1 . . . . 108 ALA H . 26773 1 621 . 1 1 108 108 ALA HA H 1 4.008 0.005 . 1 . . . . 108 ALA HA . 26773 1 622 . 1 1 108 108 ALA C C 13 179.4431 0.2 . 1 . . . . 108 ALA C . 26773 1 623 . 1 1 108 108 ALA CA C 13 55.9684 0.2 . 1 . . . . 108 ALA CA . 26773 1 624 . 1 1 108 108 ALA CB C 13 18.3347 0.2 . 1 . . . . 108 ALA CB . 26773 1 625 . 1 1 108 108 ALA N N 15 122.0859 0.05 . 1 . . . . 108 ALA N . 26773 1 626 . 1 1 109 109 LYS H H 1 7.6284 0.005 . 1 . . . . 109 LYS H . 26773 1 627 . 1 1 109 109 LYS HA H 1 4.1886 0.005 . 1 . . . . 109 LYS HA . 26773 1 628 . 1 1 109 109 LYS C C 13 179.4836 0.2 . 1 . . . . 109 LYS C . 26773 1 629 . 1 1 109 109 LYS CA C 13 58.9148 0.2 . 1 . . . . 109 LYS CA . 26773 1 630 . 1 1 109 109 LYS CB C 13 32.0923 0.2 . 1 . . . . 109 LYS CB . 26773 1 631 . 1 1 109 109 LYS N N 15 118.5594 0.05 . 1 . . . . 109 LYS N . 26773 1 632 . 1 1 110 110 ALA H H 1 8.8035 0.005 . 1 . . . . 110 ALA H . 26773 1 633 . 1 1 110 110 ALA HA H 1 4.085 0.005 . 1 . . . . 110 ALA HA . 26773 1 634 . 1 1 110 110 ALA C C 13 180.1386 0.2 . 1 . . . . 110 ALA C . 26773 1 635 . 1 1 110 110 ALA CA C 13 55.2375 0.2 . 1 . . . . 110 ALA CA . 26773 1 636 . 1 1 110 110 ALA CB C 13 18.5085 0.2 . 1 . . . . 110 ALA CB . 26773 1 637 . 1 1 110 110 ALA N N 15 121.3693 0.05 . 1 . . . . 110 ALA N . 26773 1 638 . 1 1 111 111 ARG H H 1 8.4408 0.005 . 1 . . . . 111 ARG H . 26773 1 639 . 1 1 111 111 ARG HA H 1 4.2141 0.005 . 1 . . . . 111 ARG HA . 26773 1 640 . 1 1 111 111 ARG C C 13 177.8794 0.2 . 1 . . . . 111 ARG C . 26773 1 641 . 1 1 111 111 ARG CA C 13 59.1993 0.2 . 1 . . . . 111 ARG CA . 26773 1 642 . 1 1 111 111 ARG CB C 13 28.7629 0.2 . 1 . . . . 111 ARG CB . 26773 1 643 . 1 1 111 111 ARG N N 15 119.3425 0.05 . 1 . . . . 111 ARG N . 26773 1 644 . 1 1 112 112 GLY H H 1 7.9104 0.005 . 1 . . . . 112 GLY H . 26773 1 645 . 1 1 112 112 GLY HA2 H 1 3.9599 0.005 . 1 . . . . 112 GLY HA2 . 26773 1 646 . 1 1 112 112 GLY HA3 H 1 3.9599 0.005 . 1 . . . . 112 GLY HA3 . 26773 1 647 . 1 1 112 112 GLY C C 13 175.7995 0.2 . 1 . . . . 112 GLY C . 26773 1 648 . 1 1 112 112 GLY CA C 13 48.2333 0.2 . 1 . . . . 112 GLY CA . 26773 1 649 . 1 1 112 112 GLY N N 15 106.1501 0.05 . 1 . . . . 112 GLY N . 26773 1 650 . 1 1 113 113 LEU H H 1 7.6752 0.005 . 1 . . . . 113 LEU H . 26773 1 651 . 1 1 113 113 LEU HA H 1 4.1434 0.005 . 1 . . . . 113 LEU HA . 26773 1 652 . 1 1 113 113 LEU C C 13 179.9895 0.2 . 1 . . . . 113 LEU C . 26773 1 653 . 1 1 113 113 LEU CA C 13 58.0079 0.2 . 1 . . . . 113 LEU CA . 26773 1 654 . 1 1 113 113 LEU CB C 13 41.8126 0.2 . 1 . . . . 113 LEU CB . 26773 1 655 . 1 1 113 113 LEU N N 15 120.8181 0.05 . 1 . . . . 113 LEU N . 26773 1 656 . 1 1 114 114 LYS H H 1 7.8107 0.005 . 1 . . . . 114 LYS H . 26773 1 657 . 1 1 114 114 LYS HA H 1 3.9767 0.005 . 1 . . . . 114 LYS HA . 26773 1 658 . 1 1 114 114 LYS C C 13 180.4336 0.2 . 1 . . . . 114 LYS C . 26773 1 659 . 1 1 114 114 LYS CA C 13 58.5144 0.2 . 1 . . . . 114 LYS CA . 26773 1 660 . 1 1 114 114 LYS CB C 13 31.793 0.2 . 1 . . . . 114 LYS CB . 26773 1 661 . 1 1 114 114 LYS N N 15 119.9977 0.05 . 1 . . . . 114 LYS N . 26773 1 662 . 1 1 115 115 LEU H H 1 8.454 0.005 . 1 . . . . 115 LEU H . 26773 1 663 . 1 1 115 115 LEU HA H 1 4.0945 0.005 . 1 . . . . 115 LEU HA . 26773 1 664 . 1 1 115 115 LEU C C 13 178.5123 0.2 . 1 . . . . 115 LEU C . 26773 1 665 . 1 1 115 115 LEU CA C 13 58.2682 0.2 . 1 . . . . 115 LEU CA . 26773 1 666 . 1 1 115 115 LEU CB C 13 42.9196 0.2 . 1 . . . . 115 LEU CB . 26773 1 667 . 1 1 115 115 LEU N N 15 121.6339 0.05 . 1 . . . . 115 LEU N . 26773 1 668 . 1 1 116 116 GLU H H 1 8.0244 0.005 . 1 . . . . 116 GLU H . 26773 1 669 . 1 1 116 116 GLU HA H 1 4.0304 0.005 . 1 . . . . 116 GLU HA . 26773 1 670 . 1 1 116 116 GLU C C 13 179.5771 0.2 . 1 . . . . 116 GLU C . 26773 1 671 . 1 1 116 116 GLU CA C 13 60.2729 0.2 . 1 . . . . 116 GLU CA . 26773 1 672 . 1 1 116 116 GLU CB C 13 29.2982 0.2 . 1 . . . . 116 GLU CB . 26773 1 673 . 1 1 116 116 GLU N N 15 118.8742 0.05 . 1 . . . . 116 GLU N . 26773 1 674 . 1 1 117 117 GLU H H 1 8.1969 0.005 . 1 . . . . 117 GLU H . 26773 1 675 . 1 1 117 117 GLU HA H 1 4.0506 0.005 . 1 . . . . 117 GLU HA . 26773 1 676 . 1 1 117 117 GLU C C 13 179.0414 0.2 . 1 . . . . 117 GLU C . 26773 1 677 . 1 1 117 117 GLU CA C 13 59.4469 0.2 . 1 . . . . 117 GLU CA . 26773 1 678 . 1 1 117 117 GLU CB C 13 29.9175 0.2 . 1 . . . . 117 GLU CB . 26773 1 679 . 1 1 117 117 GLU N N 15 120.4195 0.05 . 1 . . . . 117 GLU N . 26773 1 680 . 1 1 118 118 SER H H 1 8.0259 0.005 . 1 . . . . 118 SER H . 26773 1 681 . 1 1 118 118 SER HA H 1 4.234 0.005 . 1 . . . . 118 SER HA . 26773 1 682 . 1 1 118 118 SER C C 13 176.0907 0.2 . 1 . . . . 118 SER C . 26773 1 683 . 1 1 118 118 SER CA C 13 61.2002 0.2 . 1 . . . . 118 SER CA . 26773 1 684 . 1 1 118 118 SER CB C 13 63.5312 0.2 . 1 . . . . 118 SER CB . 26773 1 685 . 1 1 118 118 SER N N 15 115.9913 0.05 . 1 . . . . 118 SER N . 26773 1 686 . 1 1 119 119 LEU H H 1 8.164 0.005 . 1 . . . . 119 LEU H . 26773 1 687 . 1 1 119 119 LEU HA H 1 3.9591 0.005 . 1 . . . . 119 LEU HA . 26773 1 688 . 1 1 119 119 LEU C C 13 178.043 0.2 . 1 . . . . 119 LEU C . 26773 1 689 . 1 1 119 119 LEU CA C 13 58.6379 0.2 . 1 . . . . 119 LEU CA . 26773 1 690 . 1 1 119 119 LEU CB C 13 41.6163 0.2 . 1 . . . . 119 LEU CB . 26773 1 691 . 1 1 119 119 LEU N N 15 120.6594 0.05 . 1 . . . . 119 LEU N . 26773 1 692 . 1 1 120 120 GLU H H 1 7.8132 0.005 . 1 . . . . 120 GLU H . 26773 1 693 . 1 1 120 120 GLU HA H 1 3.9784 0.005 . 1 . . . . 120 GLU HA . 26773 1 694 . 1 1 120 120 GLU C C 13 178.8466 0.2 . 1 . . . . 120 GLU C . 26773 1 695 . 1 1 120 120 GLU CA C 13 59.4824 0.2 . 1 . . . . 120 GLU CA . 26773 1 696 . 1 1 120 120 GLU CB C 13 29.5188 0.2 . 1 . . . . 120 GLU CB . 26773 1 697 . 1 1 120 120 GLU N N 15 117.3633 0.05 . 1 . . . . 120 GLU N . 26773 1 698 . 1 1 121 121 TYR H H 1 7.9453 0.005 . 1 . . . . 121 TYR H . 26773 1 699 . 1 1 121 121 TYR HA H 1 4.3489 0.005 . 1 . . . . 121 TYR HA . 26773 1 700 . 1 1 121 121 TYR C C 13 177.877 0.2 . 1 . . . . 121 TYR C . 26773 1 701 . 1 1 121 121 TYR CA C 13 60.6355 0.2 . 1 . . . . 121 TYR CA . 26773 1 702 . 1 1 121 121 TYR CB C 13 38.4841 0.2 . 1 . . . . 121 TYR CB . 26773 1 703 . 1 1 121 121 TYR N N 15 118.7484 0.05 . 1 . . . . 121 TYR N . 26773 1 704 . 1 1 122 122 LEU H H 1 8.297 0.005 . 1 . . . . 122 LEU H . 26773 1 705 . 1 1 122 122 LEU HA H 1 4.0117 0.005 . 1 . . . . 122 LEU HA . 26773 1 706 . 1 1 122 122 LEU C C 13 179.1882 0.2 . 1 . . . . 122 LEU C . 26773 1 707 . 1 1 122 122 LEU CA C 13 56.9009 0.2 . 1 . . . . 122 LEU CA . 26773 1 708 . 1 1 122 122 LEU CB C 13 42.5316 0.2 . 1 . . . . 122 LEU CB . 26773 1 709 . 1 1 122 122 LEU N N 15 118.321 0.05 . 1 . . . . 122 LEU N . 26773 1 710 . 1 1 123 123 GLN H H 1 8.202 0.005 . 1 . . . . 123 GLN H . 26773 1 711 . 1 1 123 123 GLN HA H 1 4.0603 0.005 . 1 . . . . 123 GLN HA . 26773 1 712 . 1 1 123 123 GLN C C 13 176.9912 0.2 . 1 . . . . 123 GLN C . 26773 1 713 . 1 1 123 123 GLN CA C 13 57.9872 0.2 . 1 . . . . 123 GLN CA . 26773 1 714 . 1 1 123 123 GLN CB C 13 28.9466 0.2 . 1 . . . . 123 GLN CB . 26773 1 715 . 1 1 123 123 GLN N N 15 117.7362 0.05 . 1 . . . . 123 GLN N . 26773 1 716 . 1 1 124 124 PHE H H 1 7.636 0.005 . 1 . . . . 124 PHE H . 26773 1 717 . 1 1 124 124 PHE HA H 1 4.6495 0.005 . 1 . . . . 124 PHE HA . 26773 1 718 . 1 1 124 124 PHE C C 13 176.087 0.2 . 1 . . . . 124 PHE C . 26773 1 719 . 1 1 124 124 PHE CA C 13 58.3808 0.2 . 1 . . . . 124 PHE CA . 26773 1 720 . 1 1 124 124 PHE CB C 13 39.2981 0.2 . 1 . . . . 124 PHE CB . 26773 1 721 . 1 1 124 124 PHE N N 15 117.8234 0.05 . 1 . . . . 124 PHE N . 26773 1 722 . 1 1 125 125 MET H H 1 7.6767 0.005 . 1 . . . . 125 MET H . 26773 1 723 . 1 1 125 125 MET HA H 1 4.402 0.005 . 1 . . . . 125 MET HA . 26773 1 724 . 1 1 125 125 MET C C 13 175.3263 0.2 . 1 . . . . 125 MET C . 26773 1 725 . 1 1 125 125 MET CA C 13 55.4937 0.2 . 1 . . . . 125 MET CA . 26773 1 726 . 1 1 125 125 MET CB C 13 32.5634 0.2 . 1 . . . . 125 MET CB . 26773 1 727 . 1 1 125 125 MET N N 15 119.571 0.05 . 1 . . . . 125 MET N . 26773 1 728 . 1 1 126 126 GLN H H 1 7.5694 0.005 . 1 . . . . 126 GLN H . 26773 1 729 . 1 1 126 126 GLN C C 13 180.5038 0.2 . 1 . . . . 126 GLN C . 26773 1 730 . 1 1 126 126 GLN CA C 13 57.6556 0.2 . 1 . . . . 126 GLN CA . 26773 1 731 . 1 1 126 126 GLN CB C 13 30.4504 0.2 . 1 . . . . 126 GLN CB . 26773 1 732 . 1 1 126 126 GLN N N 15 125.3864 0.05 . 1 . . . . 126 GLN N . 26773 1 stop_ save_