data_15198 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15198 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for all-Ala-HEWL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-28 _Entry.Accession_date 2007-03-28 _Entry.Last_release_date 2007-04-19 _Entry.Original_release_date 2007-04-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christian Schloerb . . . 15198 2 Katrin Ackermann . . . 15198 3 Christian Richter . . . 15198 4 Harald Schwalbe . . . 15198 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15198 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 15198 '15N chemical shifts' 125 15198 '1H chemical shifts' 427 15198 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 . . 2007-04-19 2007-03-28 original author . 15198 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6622 'Backbone assignment for HEWL-SMe' 15198 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15198 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16258828 _Citation.Full_citation . _Citation.Title 'Heterologous expression of hen egg white lysozyme and resonance assignment of tryptophan side chains in its non-native states' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 95 _Citation.Page_last 104 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christian Schloerb . . . 15198 1 2 Katrin Ackermann . . . 15198 1 3 Christian Richter . . . 15198 1 4 Julia Wirmer . . . 15198 1 5 Harald Schwalbe . . . 15198 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15198 _Assembly.ID 1 _Assembly.Name 'all-Ala-hen egg white lysozyme' _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 . _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 'all-Ala-hen egg white lysozyme' 1 $all-Ala-Hen_egg_white_lysoyzme A . yes unfolded no no . . . 15198 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_all-Ala-Hen_egg_white_lysoyzme _Entity.Sf_category entity _Entity.Sf_framecode all-Ala-Hen_egg_white_lysoyzme _Entity.Entry_ID 15198 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name all-Ala-Hen_egg_white_lysoyzme _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 ; MKVFGRAELAAAMKRHGLDN YRGYSLGNWVAAAKFESNFN TQATNRNTDGSTDYGILQIN SRWWANDGRTPGSRNLANIP ASALLSSDITASVNAAKKIV SDGNGMNAWVAWRNRAKGTD VQAWIRGARL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C7A,C31A,C65A,C77A,C81A,C95A,C116A,C128A _Entity.EC_number 3.2.1.17 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'All 8 cysteines of HEWL have been replaced by alanines' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11051 . 0SS-variant . . . . . 100.00 130 99.23 100.00 1.01e-85 . . . . 15198 1 2 no BMRB 11052 . 2SS(6-127_64-80) . . . . . 100.00 130 96.92 96.92 5.28e-85 . . . . 15198 1 3 no BMRB 11459 . 1SS[6-127] . . . . . 100.00 130 98.46 98.46 2.04e-85 . . . . 15198 1 4 no BMRB 11460 . 1SS[30-115] . . . . . 100.00 130 97.69 98.46 4.19e-85 . . . . 15198 1 5 no BMRB 11461 . 1SS[64-80] . . . . . 100.00 130 97.69 98.46 4.19e-85 . . . . 15198 1 6 no BMRB 11462 . 1SS[76-94] . . . . . 100.00 130 97.69 98.46 4.19e-85 . . . . 15198 1 7 no BMRB 18365 . WT-ALA . . . . . 99.23 129 100.00 100.00 3.64e-85 . . . . 15198 1 8 no BMRB 18366 . W28G . . . . . 99.23 129 99.22 99.22 8.54e-84 . . . . 15198 1 9 no BMRB 18367 . W62G . . . . . 99.23 129 99.22 99.22 8.54e-84 . . . . 15198 1 10 no BMRB 18368 . W108G . . . . . 99.23 129 99.22 99.22 8.54e-84 . . . . 15198 1 11 no BMRB 18369 . W111G . . . . . 99.23 129 99.22 99.22 8.54e-84 . . . . 15198 1 12 no BMRB 18370 . W123G . . . . . 99.23 129 99.22 99.22 8.54e-84 . . . . 15198 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 . 15198 1 2 . LYS . 15198 1 3 . VAL . 15198 1 4 . PHE . 15198 1 5 . GLY . 15198 1 6 . ARG . 15198 1 7 . ALA . 15198 1 8 . GLU . 15198 1 9 . LEU . 15198 1 10 . ALA . 15198 1 11 . ALA . 15198 1 12 . ALA . 15198 1 13 . MET . 15198 1 14 . LYS . 15198 1 15 . ARG . 15198 1 16 . HIS . 15198 1 17 . GLY . 15198 1 18 . LEU . 15198 1 19 . ASP . 15198 1 20 . ASN . 15198 1 21 . TYR . 15198 1 22 . ARG . 15198 1 23 . GLY . 15198 1 24 . TYR . 15198 1 25 . SER . 15198 1 26 . LEU . 15198 1 27 . GLY . 15198 1 28 . ASN . 15198 1 29 . TRP . 15198 1 30 . VAL . 15198 1 31 . ALA . 15198 1 32 . ALA . 15198 1 33 . ALA . 15198 1 34 . LYS . 15198 1 35 . PHE . 15198 1 36 . GLU . 15198 1 37 . SER . 15198 1 38 . ASN . 15198 1 39 . PHE . 15198 1 40 . ASN . 15198 1 41 . THR . 15198 1 42 . GLN . 15198 1 43 . ALA . 15198 1 44 . THR . 15198 1 45 . ASN . 15198 1 46 . ARG . 15198 1 47 . ASN . 15198 1 48 . THR . 15198 1 49 . ASP . 15198 1 50 . GLY . 15198 1 51 . SER . 15198 1 52 . THR . 15198 1 53 . ASP . 15198 1 54 . TYR . 15198 1 55 . GLY . 15198 1 56 . ILE . 15198 1 57 . LEU . 15198 1 58 . GLN . 15198 1 59 . ILE . 15198 1 60 . ASN . 15198 1 61 . SER . 15198 1 62 . ARG . 15198 1 63 . TRP . 15198 1 64 . TRP . 15198 1 65 . ALA . 15198 1 66 . ASN . 15198 1 67 . ASP . 15198 1 68 . GLY . 15198 1 69 . ARG . 15198 1 70 . THR . 15198 1 71 . PRO . 15198 1 72 . GLY . 15198 1 73 . SER . 15198 1 74 . ARG . 15198 1 75 . ASN . 15198 1 76 . LEU . 15198 1 77 . ALA . 15198 1 78 . ASN . 15198 1 79 . ILE . 15198 1 80 . PRO . 15198 1 81 . ALA . 15198 1 82 . SER . 15198 1 83 . ALA . 15198 1 84 . LEU . 15198 1 85 . LEU . 15198 1 86 . SER . 15198 1 87 . SER . 15198 1 88 . ASP . 15198 1 89 . ILE . 15198 1 90 . THR . 15198 1 91 . ALA . 15198 1 92 . SER . 15198 1 93 . VAL . 15198 1 94 . ASN . 15198 1 95 . ALA . 15198 1 96 . ALA . 15198 1 97 . LYS . 15198 1 98 . LYS . 15198 1 99 . ILE . 15198 1 100 . VAL . 15198 1 101 . SER . 15198 1 102 . ASP . 15198 1 103 . GLY . 15198 1 104 . ASN . 15198 1 105 . GLY . 15198 1 106 . MET . 15198 1 107 . ASN . 15198 1 108 . ALA . 15198 1 109 . TRP . 15198 1 110 . VAL . 15198 1 111 . ALA . 15198 1 112 . TRP . 15198 1 113 . ARG . 15198 1 114 . ASN . 15198 1 115 . ARG . 15198 1 116 . ALA . 15198 1 117 . LYS . 15198 1 118 . GLY . 15198 1 119 . THR . 15198 1 120 . ASP . 15198 1 121 . VAL . 15198 1 122 . GLN . 15198 1 123 . ALA . 15198 1 124 . TRP . 15198 1 125 . ILE . 15198 1 126 . ARG . 15198 1 127 . GLY . 15198 1 128 . ALA . 15198 1 129 . ARG . 15198 1 130 . LEU . 15198 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 15198 1 . LYS 2 2 15198 1 . VAL 3 3 15198 1 . PHE 4 4 15198 1 . GLY 5 5 15198 1 . ARG 6 6 15198 1 . ALA 7 7 15198 1 . GLU 8 8 15198 1 . LEU 9 9 15198 1 . ALA 10 10 15198 1 . ALA 11 11 15198 1 . ALA 12 12 15198 1 . MET 13 13 15198 1 . LYS 14 14 15198 1 . ARG 15 15 15198 1 . HIS 16 16 15198 1 . GLY 17 17 15198 1 . LEU 18 18 15198 1 . ASP 19 19 15198 1 . ASN 20 20 15198 1 . TYR 21 21 15198 1 . ARG 22 22 15198 1 . GLY 23 23 15198 1 . TYR 24 24 15198 1 . SER 25 25 15198 1 . LEU 26 26 15198 1 . GLY 27 27 15198 1 . ASN 28 28 15198 1 . TRP 29 29 15198 1 . VAL 30 30 15198 1 . ALA 31 31 15198 1 . ALA 32 32 15198 1 . ALA 33 33 15198 1 . LYS 34 34 15198 1 . PHE 35 35 15198 1 . GLU 36 36 15198 1 . SER 37 37 15198 1 . ASN 38 38 15198 1 . PHE 39 39 15198 1 . ASN 40 40 15198 1 . THR 41 41 15198 1 . GLN 42 42 15198 1 . ALA 43 43 15198 1 . THR 44 44 15198 1 . ASN 45 45 15198 1 . ARG 46 46 15198 1 . ASN 47 47 15198 1 . THR 48 48 15198 1 . ASP 49 49 15198 1 . GLY 50 50 15198 1 . SER 51 51 15198 1 . THR 52 52 15198 1 . ASP 53 53 15198 1 . TYR 54 54 15198 1 . GLY 55 55 15198 1 . ILE 56 56 15198 1 . LEU 57 57 15198 1 . GLN 58 58 15198 1 . ILE 59 59 15198 1 . ASN 60 60 15198 1 . SER 61 61 15198 1 . ARG 62 62 15198 1 . TRP 63 63 15198 1 . TRP 64 64 15198 1 . ALA 65 65 15198 1 . ASN 66 66 15198 1 . ASP 67 67 15198 1 . GLY 68 68 15198 1 . ARG 69 69 15198 1 . THR 70 70 15198 1 . PRO 71 71 15198 1 . GLY 72 72 15198 1 . SER 73 73 15198 1 . ARG 74 74 15198 1 . ASN 75 75 15198 1 . LEU 76 76 15198 1 . ALA 77 77 15198 1 . ASN 78 78 15198 1 . ILE 79 79 15198 1 . PRO 80 80 15198 1 . ALA 81 81 15198 1 . SER 82 82 15198 1 . ALA 83 83 15198 1 . LEU 84 84 15198 1 . LEU 85 85 15198 1 . SER 86 86 15198 1 . SER 87 87 15198 1 . ASP 88 88 15198 1 . ILE 89 89 15198 1 . THR 90 90 15198 1 . ALA 91 91 15198 1 . SER 92 92 15198 1 . VAL 93 93 15198 1 . ASN 94 94 15198 1 . ALA 95 95 15198 1 . ALA 96 96 15198 1 . LYS 97 97 15198 1 . LYS 98 98 15198 1 . ILE 99 99 15198 1 . VAL 100 100 15198 1 . SER 101 101 15198 1 . ASP 102 102 15198 1 . GLY 103 103 15198 1 . ASN 104 104 15198 1 . GLY 105 105 15198 1 . MET 106 106 15198 1 . ASN 107 107 15198 1 . ALA 108 108 15198 1 . TRP 109 109 15198 1 . VAL 110 110 15198 1 . ALA 111 111 15198 1 . TRP 112 112 15198 1 . ARG 113 113 15198 1 . ASN 114 114 15198 1 . ARG 115 115 15198 1 . ALA 116 116 15198 1 . LYS 117 117 15198 1 . GLY 118 118 15198 1 . THR 119 119 15198 1 . ASP 120 120 15198 1 . VAL 121 121 15198 1 . GLN 122 122 15198 1 . ALA 123 123 15198 1 . TRP 124 124 15198 1 . ILE 125 125 15198 1 . ARG 126 126 15198 1 . GLY 127 127 15198 1 . ALA 128 128 15198 1 . ARG 129 129 15198 1 . LEU 130 130 15198 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 15198 _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 $all-Ala-Hen_egg_white_lysoyzme . 9031 organism . 'Gallus gallus' . . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 15198 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 15198 _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 $all-Ala-Hen_egg_white_lysoyzme . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11a . . . . . . 15198 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15198 _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 'all-Ala-Hen egg white lysoyzme' '[U-99% 13C; U-99% 15N]' . . 1 $all-Ala-Hen_egg_white_lysoyzme . . 0.5 . . mM . . . . 15198 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 15198 _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 . M 15198 1 pH 2.0 . pH 15198 1 pressure 1 . atm 15198 1 temperature 293 . K 15198 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15198 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15198 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15198 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15198 _Software.ID 2 _Software.Name CARA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15198 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15198 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_700 _NMR_spectrometer.Entry_ID 15198 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 15198 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_800 _NMR_spectrometer.Entry_ID 15198 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15198 _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_700 Bruker Avance . 700 . . . 15198 1 2 spectrometer_600 Bruker Avance . 600 . . . 15198 1 3 spectrometer_800 Bruker Avance . 800 . . . 15198 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 15198 _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_700 . . . . . . . . . . . . . . . . 15198 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_700 . . . . . . . . . . . . . . . . 15198 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_700 . . . . . . . . . . . . . . . . 15198 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_700 . . . . . . . . . . . . . . . . 15198 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_700 . . . . . . . . . . . . . . . . 15198 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_600 . . . . . . . . . . . . . . . . 15198 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_700 . . . . . . . . . . . . . . . . 15198 1 8 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_800 . . . . . . . . . . . . . . . . 15198 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 15198 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15198 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15198 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15198 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 15198 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15198 1 2 '3D HNCACB' . . . 15198 1 5 '3D HCACO' . . . 15198 1 7 '3D HBHA(CO)NH' . . . 15198 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 LYS H H 1 8.706 0.05 . 1 . . . . 2 LYS H . 15198 1 2 . 1 1 2 2 LYS HA H 1 4.411 0.05 . 1 . . . . 2 LYS HA . 15198 1 3 . 1 1 2 2 LYS HB2 H 1 1.731 0.05 . 2 . . . . 2 LYS HB2 . 15198 1 4 . 1 1 2 2 LYS C C 13 173.13 0.2 . 1 . . . . 2 LYS C . 15198 1 5 . 1 1 2 2 LYS CA C 13 56.02 0.2 . 1 . . . . 2 LYS CA . 15198 1 6 . 1 1 2 2 LYS CB C 13 32.62 0.2 . 1 . . . . 2 LYS CB . 15198 1 7 . 1 1 2 2 LYS N N 15 126.11 0.1 . 1 . . . . 2 LYS N . 15198 1 8 . 1 1 3 3 VAL H H 1 8.253 0.05 . 1 . . . . 3 VAL H . 15198 1 9 . 1 1 3 3 VAL HA H 1 4.138 0.05 . 1 . . . . 3 VAL HA . 15198 1 10 . 1 1 3 3 VAL HB H 1 2.011 0.05 . 1 . . . . 3 VAL HB . 15198 1 11 . 1 1 3 3 VAL C C 13 173.21 0.2 . 1 . . . . 3 VAL C . 15198 1 12 . 1 1 3 3 VAL CA C 13 61.63 0.2 . 1 . . . . 3 VAL CA . 15198 1 13 . 1 1 3 3 VAL CB C 13 32.58 0.2 . 1 . . . . 3 VAL CB . 15198 1 14 . 1 1 3 3 VAL N N 15 123.71 0.1 . 1 . . . . 3 VAL N . 15198 1 15 . 1 1 4 4 PHE H H 1 8.508 0.05 . 1 . . . . 4 PHE H . 15198 1 16 . 1 1 4 4 PHE HA H 1 4.704 0.05 . 1 . . . . 4 PHE HA . 15198 1 17 . 1 1 4 4 PHE HB2 H 1 3.167 0.05 . 2 . . . . 4 PHE HB2 . 15198 1 18 . 1 1 4 4 PHE HB3 H 1 3.036 0.05 . 2 . . . . 4 PHE HB3 . 15198 1 19 . 1 1 4 4 PHE C C 13 173.74 0.2 . 1 . . . . 4 PHE C . 15198 1 20 . 1 1 4 4 PHE CA C 13 57.3 0.2 . 1 . . . . 4 PHE CA . 15198 1 21 . 1 1 4 4 PHE CB C 13 39.6 0.2 . 1 . . . . 4 PHE CB . 15198 1 22 . 1 1 4 4 PHE N N 15 126.24 0.1 . 1 . . . . 4 PHE N . 15198 1 23 . 1 1 5 5 GLY H H 1 8.357 0.05 . 1 . . . . 5 GLY H . 15198 1 24 . 1 1 5 5 GLY HA2 H 1 3.994 0.05 . 2 . . . . 5 GLY HA . 15198 1 25 . 1 1 5 5 GLY HA3 H 1 3.994 0.05 . 2 . . . . 5 GLY HA . 15198 1 26 . 1 1 5 5 GLY C C 13 171.7 0.2 . 1 . . . . 5 GLY C . 15198 1 27 . 1 1 5 5 GLY CA C 13 44.82 0.2 . 1 . . . . 5 GLY CA . 15198 1 28 . 1 1 5 5 GLY N N 15 111.82 0.1 . 1 . . . . 5 GLY N . 15198 1 29 . 1 1 6 6 ARG H H 1 8.308 0.05 . 1 . . . . 6 ARG H . 15198 1 30 . 1 1 6 6 ARG HA H 1 4.252 0.05 . 1 . . . . 6 ARG HA . 15198 1 31 . 1 1 6 6 ARG HB2 H 1 1.876 0.05 . 2 . . . . 6 ARG HB2 . 15198 1 32 . 1 1 6 6 ARG C C 13 174.6 0.2 . 1 . . . . 6 ARG C . 15198 1 33 . 1 1 6 6 ARG CA C 13 56.82 0.2 . 1 . . . . 6 ARG CA . 15198 1 34 . 1 1 6 6 ARG CB C 13 30.1 0.2 . 1 . . . . 6 ARG CB . 15198 1 35 . 1 1 6 6 ARG N N 15 122.25 0.1 . 1 . . . . 6 ARG N . 15198 1 36 . 1 1 7 7 ALA H H 1 8.492 0.05 . 1 . . . . 7 ALA H . 15198 1 37 . 1 1 7 7 ALA HA H 1 4.29 0.05 . 1 . . . . 7 ALA HA . 15198 1 38 . 1 1 7 7 ALA HB1 H 1 1.442 0.05 . 1 . . . . 7 ALA HB . 15198 1 39 . 1 1 7 7 ALA HB2 H 1 1.442 0.05 . 1 . . . . 7 ALA HB . 15198 1 40 . 1 1 7 7 ALA HB3 H 1 1.442 0.05 . 1 . . . . 7 ALA HB . 15198 1 41 . 1 1 7 7 ALA C C 13 176.24 0.2 . 1 . . . . 7 ALA C . 15198 1 42 . 1 1 7 7 ALA CA C 13 53.01 0.2 . 1 . . . . 7 ALA CA . 15198 1 43 . 1 1 7 7 ALA CB C 13 18.31 0.2 . 1 . . . . 7 ALA CB . 15198 1 44 . 1 1 7 7 ALA N N 15 125.48 0.1 . 1 . . . . 7 ALA N . 15198 1 45 . 1 1 8 8 GLU H H 1 8.217 0.05 . 1 . . . . 8 GLU H . 15198 1 46 . 1 1 8 8 GLU HA H 1 4.299 0.05 . 1 . . . . 8 GLU HA . 15198 1 47 . 1 1 8 8 GLU HB2 H 1 2.071 0.05 . 2 . . . . 8 GLU HB2 . 15198 1 48 . 1 1 8 8 GLU C C 13 174.48 0.2 . 1 . . . . 8 GLU C . 15198 1 49 . 1 1 8 8 GLU CA C 13 56.42 0.2 . 1 . . . . 8 GLU CA . 15198 1 50 . 1 1 8 8 GLU CB C 13 27.81 0.2 . 1 . . . . 8 GLU CB . 15198 1 51 . 1 1 8 8 GLU N N 15 120.72 0.1 . 1 . . . . 8 GLU N . 15198 1 52 . 1 1 9 9 LEU H H 1 8.17 0.05 . 1 . . . . 9 LEU H . 15198 1 53 . 1 1 9 9 LEU C C 13 175.46 0.2 . 1 . . . . 9 LEU C . 15198 1 54 . 1 1 9 9 LEU CA C 13 55.65 0.2 . 1 . . . . 9 LEU CA . 15198 1 55 . 1 1 9 9 LEU CB C 13 41.71 0.2 . 1 . . . . 9 LEU CB . 15198 1 56 . 1 1 9 9 LEU N N 15 124.22 0.1 . 1 . . . . 9 LEU N . 15198 1 57 . 1 1 11 11 ALA H H 1 8.039 0.05 . 1 . . . . 11 ALA H . 15198 1 58 . 1 1 11 11 ALA HA H 1 4.239 0.05 . 1 . . . . 11 ALA HA . 15198 1 59 . 1 1 11 11 ALA HB1 H 1 1.604 0.05 . 1 . . . . 11 ALA HB . 15198 1 60 . 1 1 11 11 ALA HB2 H 1 1.604 0.05 . 1 . . . . 11 ALA HB . 15198 1 61 . 1 1 11 11 ALA HB3 H 1 1.604 0.05 . 1 . . . . 11 ALA HB . 15198 1 62 . 1 1 11 11 ALA C C 13 176.28 0.2 . 1 . . . . 11 ALA C . 15198 1 63 . 1 1 11 11 ALA CA C 13 53.26 0.2 . 1 . . . . 11 ALA CA . 15198 1 64 . 1 1 11 11 ALA CB C 13 18.27 0.2 . 1 . . . . 11 ALA CB . 15198 1 65 . 1 1 11 11 ALA N N 15 122.87 0.1 . 1 . . . . 11 ALA N . 15198 1 66 . 1 1 12 12 ALA H H 1 8.108 0.05 . 1 . . . . 12 ALA H . 15198 1 67 . 1 1 12 12 ALA HA H 1 4.252 0.05 . 1 . . . . 12 ALA HA . 15198 1 68 . 1 1 12 12 ALA HB1 H 1 1.465 0.05 . 1 . . . . 12 ALA HB . 15198 1 69 . 1 1 12 12 ALA HB2 H 1 1.465 0.05 . 1 . . . . 12 ALA HB . 15198 1 70 . 1 1 12 12 ALA HB3 H 1 1.465 0.05 . 1 . . . . 12 ALA HB . 15198 1 71 . 1 1 12 12 ALA C C 13 176.27 0.2 . 1 . . . . 12 ALA C . 15198 1 72 . 1 1 12 12 ALA CA C 13 53.18 0.2 . 1 . . . . 12 ALA CA . 15198 1 73 . 1 1 12 12 ALA CB C 13 18.21 0.2 . 1 . . . . 12 ALA CB . 15198 1 74 . 1 1 12 12 ALA N N 15 123.13 0.1 . 1 . . . . 12 ALA N . 15198 1 75 . 1 1 13 13 MET H H 1 8.091 0.05 . 1 . . . . 13 MET H . 15198 1 76 . 1 1 13 13 MET HA H 1 4.216 0.05 . 1 . . . . 13 MET HA . 15198 1 77 . 1 1 13 13 MET HB2 H 1 1.454 0.05 . 2 . . . . 13 MET HB2 . 15198 1 78 . 1 1 13 13 MET C C 13 176.28 0.2 . 1 . . . . 13 MET C . 15198 1 79 . 1 1 13 13 MET CA C 13 55.82 0.2 . 1 . . . . 13 MET CA . 15198 1 80 . 1 1 13 13 MET CB C 13 32.25 0.2 . 1 . . . . 13 MET CB . 15198 1 81 . 1 1 13 13 MET N N 15 119.51 0.1 . 1 . . . . 13 MET N . 15198 1 82 . 1 1 14 14 LYS H H 1 8.06 0.05 . 1 . . . . 14 LYS H . 15198 1 83 . 1 1 14 14 LYS HA H 1 4.29 0.05 . 1 . . . . 14 LYS HA . 15198 1 84 . 1 1 14 14 LYS HB2 H 1 1.862 0.05 . 2 . . . . 14 LYS HB2 . 15198 1 85 . 1 1 14 14 LYS C C 13 174.53 0.2 . 1 . . . . 14 LYS C . 15198 1 86 . 1 1 14 14 LYS CA C 13 56.49 0.2 . 1 . . . . 14 LYS CA . 15198 1 87 . 1 1 14 14 LYS CB C 13 32.3 0.2 . 1 . . . . 14 LYS CB . 15198 1 88 . 1 1 14 14 LYS N N 15 122.81 0.1 . 1 . . . . 14 LYS N . 15198 1 89 . 1 1 15 15 ARG H H 1 8.145 0.05 . 1 . . . . 15 ARG H . 15198 1 90 . 1 1 15 15 ARG HA H 1 4.299 0.05 . 1 . . . . 15 ARG HA . 15198 1 91 . 1 1 15 15 ARG HB2 H 1 1.824 0.05 . 2 . . . . 15 ARG HB2 . 15198 1 92 . 1 1 15 15 ARG C C 13 173.94 0.2 . 1 . . . . 15 ARG C . 15198 1 93 . 1 1 15 15 ARG CA C 13 56.18 0.2 . 1 . . . . 15 ARG CA . 15198 1 94 . 1 1 15 15 ARG CB C 13 30.17 0.2 . 1 . . . . 15 ARG CB . 15198 1 95 . 1 1 15 15 ARG N N 15 122.21 0.1 . 1 . . . . 15 ARG N . 15198 1 96 . 1 1 16 16 HIS H H 1 8.464 0.05 . 1 . . . . 16 HIS H . 15198 1 97 . 1 1 16 16 HIS HA H 1 4.739 0.05 . 1 . . . . 16 HIS HA . 15198 1 98 . 1 1 16 16 HIS HB2 H 1 3.349 0.05 . 2 . . . . 16 HIS HB2 . 15198 1 99 . 1 1 16 16 HIS HB3 H 1 3.235 0.05 . 2 . . . . 16 HIS HB3 . 15198 1 100 . 1 1 16 16 HIS C C 13 172.44 0.2 . 1 . . . . 16 HIS C . 15198 1 101 . 1 1 16 16 HIS CA C 13 55.17 0.2 . 1 . . . . 16 HIS CA . 15198 1 102 . 1 1 16 16 HIS CB C 13 28.49 0.2 . 1 . . . . 16 HIS CB . 15198 1 103 . 1 1 16 16 HIS N N 15 120.17 0.1 . 1 . . . . 16 HIS N . 15198 1 104 . 1 1 17 17 GLY H H 1 8.425 0.05 . 1 . . . . 17 GLY H . 15198 1 105 . 1 1 17 17 GLY HA2 H 1 4.007 0.05 . 2 . . . . 17 GLY HA . 15198 1 106 . 1 1 17 17 GLY HA3 H 1 4.007 0.05 . 2 . . . . 17 GLY HA . 15198 1 107 . 1 1 17 17 GLY C C 13 171.62 0.2 . 1 . . . . 17 GLY C . 15198 1 108 . 1 1 17 17 GLY CA C 13 44.92 0.2 . 1 . . . . 17 GLY CA . 15198 1 109 . 1 1 17 17 GLY N N 15 111.09 0.1 . 1 . . . . 17 GLY N . 15198 1 110 . 1 1 18 18 LEU H H 1 8.201 0.05 . 1 . . . . 18 LEU H . 15198 1 111 . 1 1 18 18 LEU HA H 1 4.392 0.05 . 1 . . . . 18 LEU HA . 15198 1 112 . 1 1 18 18 LEU HB2 H 1 1.624 0.05 . 2 . . . . 18 LEU HB2 . 15198 1 113 . 1 1 18 18 LEU C C 13 174.93 0.2 . 1 . . . . 18 LEU C . 15198 1 114 . 1 1 18 18 LEU CA C 13 55.03 0.2 . 1 . . . . 18 LEU CA . 15198 1 115 . 1 1 18 18 LEU CB C 13 41.99 0.2 . 1 . . . . 18 LEU CB . 15198 1 116 . 1 1 18 18 LEU N N 15 122.7 0.1 . 1 . . . . 18 LEU N . 15198 1 117 . 1 1 19 19 ASP H H 1 8.531 0.05 . 1 . . . . 19 ASP H . 15198 1 118 . 1 1 19 19 ASP HA H 1 4.681 0.05 . 1 . . . . 19 ASP HA . 15198 1 119 . 1 1 19 19 ASP HB2 H 1 2.896 0.05 . 2 . . . . 19 ASP HB2 . 15198 1 120 . 1 1 19 19 ASP HB3 H 1 2.826 0.05 . 2 . . . . 19 ASP HB3 . 15198 1 121 . 1 1 19 19 ASP C C 13 172.35 0.2 . 1 . . . . 19 ASP C . 15198 1 122 . 1 1 19 19 ASP CA C 13 52.61 0.2 . 1 . . . . 19 ASP CA . 15198 1 123 . 1 1 19 19 ASP CB C 13 37.43 0.2 . 1 . . . . 19 ASP CB . 15198 1 124 . 1 1 19 19 ASP N N 15 120.36 0.1 . 1 . . . . 19 ASP N . 15198 1 125 . 1 1 20 20 ASN H H 1 8.297 0.05 . 1 . . . . 20 ASN H . 15198 1 126 . 1 1 20 20 ASN HA H 1 4.709 0.05 . 1 . . . . 20 ASN HA . 15198 1 127 . 1 1 20 20 ASN HB2 H 1 2.738 0.05 . 2 . . . . 20 ASN HB2 . 15198 1 128 . 1 1 20 20 ASN C C 13 172.37 0.2 . 1 . . . . 20 ASN C . 15198 1 129 . 1 1 20 20 ASN CA C 13 52.71 0.2 . 1 . . . . 20 ASN CA . 15198 1 130 . 1 1 20 20 ASN CB C 13 38.1 0.2 . 1 . . . . 20 ASN CB . 15198 1 131 . 1 1 20 20 ASN N N 15 120.16 0.1 . 1 . . . . 20 ASN N . 15198 1 132 . 1 1 21 21 TYR H H 1 8.072 0.05 . 1 . . . . 21 TYR H . 15198 1 133 . 1 1 21 21 TYR HA H 1 4.546 0.05 . 1 . . . . 21 TYR HA . 15198 1 134 . 1 1 21 21 TYR HB2 H 1 3.027 0.05 . 2 . . . . 21 TYR HB2 . 15198 1 135 . 1 1 21 21 TYR C C 13 173.42 0.2 . 1 . . . . 21 TYR C . 15198 1 136 . 1 1 21 21 TYR CA C 13 57.9 0.2 . 1 . . . . 21 TYR CA . 15198 1 137 . 1 1 21 21 TYR CB C 13 38.1 0.2 . 1 . . . . 21 TYR CB . 15198 1 138 . 1 1 21 21 TYR N N 15 121.73 0.1 . 1 . . . . 21 TYR N . 15198 1 139 . 1 1 22 22 ARG H H 1 8.246 0.05 . 1 . . . . 22 ARG H . 15198 1 140 . 1 1 22 22 ARG HA H 1 4.23 0.05 . 1 . . . . 22 ARG HA . 15198 1 141 . 1 1 22 22 ARG HB2 H 1 1.799 0.05 . 2 . . . . 22 ARG HB2 . 15198 1 142 . 1 1 22 22 ARG HB3 H 1 1.65 0.05 . 2 . . . . 22 ARG HB3 . 15198 1 143 . 1 1 22 22 ARG C C 13 173.94 0.2 . 1 . . . . 22 ARG C . 15198 1 144 . 1 1 22 22 ARG CA C 13 55.88 0.2 . 1 . . . . 22 ARG CA . 15198 1 145 . 1 1 22 22 ARG CB C 13 29.91 0.2 . 1 . . . . 22 ARG CB . 15198 1 146 . 1 1 22 22 ARG N N 15 124.54 0.1 . 1 . . . . 22 ARG N . 15198 1 147 . 1 1 23 23 GLY H H 1 7.773 0.05 . 1 . . . . 23 GLY H . 15198 1 148 . 1 1 23 23 GLY HA2 H 1 3.889 0.05 . 2 . . . . 23 GLY HA . 15198 1 149 . 1 1 23 23 GLY HA3 H 1 3.889 0.05 . 2 . . . . 23 GLY HA . 15198 1 150 . 1 1 23 23 GLY C C 13 171.26 0.2 . 1 . . . . 23 GLY C . 15198 1 151 . 1 1 23 23 GLY CA C 13 44.83 0.2 . 1 . . . . 23 GLY CA . 15198 1 152 . 1 1 23 23 GLY N N 15 109.88 0.1 . 1 . . . . 23 GLY N . 15198 1 153 . 1 1 24 24 TYR H H 1 7.943 0.05 . 1 . . . . 24 TYR H . 15198 1 154 . 1 1 24 24 TYR HA H 1 4.611 0.05 . 1 . . . . 24 TYR HA . 15198 1 155 . 1 1 24 24 TYR HB2 H 1 3.041 0.05 . 2 . . . . 24 TYR HB2 . 15198 1 156 . 1 1 24 24 TYR HB3 H 1 2.938 0.05 . 2 . . . . 24 TYR HB3 . 15198 1 157 . 1 1 24 24 TYR C C 13 173.48 0.2 . 1 . . . . 24 TYR C . 15198 1 158 . 1 1 24 24 TYR CA C 13 57.56 0.2 . 1 . . . . 24 TYR CA . 15198 1 159 . 1 1 24 24 TYR CB C 13 38.58 0.2 . 1 . . . . 24 TYR CB . 15198 1 160 . 1 1 24 24 TYR N N 15 121.02 0.1 . 1 . . . . 24 TYR N . 15198 1 161 . 1 1 25 25 SER H H 1 8.27 0.05 . 1 . . . . 25 SER H . 15198 1 162 . 1 1 25 25 SER HA H 1 4.471 0.05 . 1 . . . . 25 SER HA . 15198 1 163 . 1 1 25 25 SER HB2 H 1 3.861 0.05 . 2 . . . . 25 SER HB2 . 15198 1 164 . 1 1 25 25 SER C C 13 171.96 0.2 . 1 . . . . 25 SER C . 15198 1 165 . 1 1 25 25 SER CA C 13 57.71 0.2 . 1 . . . . 25 SER CA . 15198 1 166 . 1 1 25 25 SER CB C 13 63.7 0.2 . 1 . . . . 25 SER CB . 15198 1 167 . 1 1 25 25 SER N N 15 118.77 0.1 . 1 . . . . 25 SER N . 15198 1 168 . 1 1 26 26 LEU H H 1 8.225 0.05 . 1 . . . . 26 LEU H . 15198 1 169 . 1 1 26 26 LEU HA H 1 4.348 0.05 . 1 . . . . 26 LEU HA . 15198 1 170 . 1 1 26 26 LEU HB2 H 1 1.645 0.05 . 2 . . . . 26 LEU HB2 . 15198 1 171 . 1 1 26 26 LEU C C 13 175.42 0.2 . 1 . . . . 26 LEU C . 15198 1 172 . 1 1 26 26 LEU CA C 13 55.31 0.2 . 1 . . . . 26 LEU CA . 15198 1 173 . 1 1 26 26 LEU CB C 13 41.8 0.2 . 1 . . . . 26 LEU CB . 15198 1 174 . 1 1 26 26 LEU N N 15 125.17 0.1 . 1 . . . . 26 LEU N . 15198 1 175 . 1 1 27 27 GLY H H 1 8.233 0.05 . 1 . . . . 27 GLY H . 15198 1 176 . 1 1 27 27 GLY HA2 H 1 3.866 0.05 . 2 . . . . 27 GLY HA . 15198 1 177 . 1 1 27 27 GLY HA3 H 1 3.866 0.05 . 2 . . . . 27 GLY HA . 15198 1 178 . 1 1 27 27 GLY C C 13 171.58 0.2 . 1 . . . . 27 GLY C . 15198 1 179 . 1 1 27 27 GLY CA C 13 45 0.2 . 1 . . . . 27 GLY CA . 15198 1 180 . 1 1 27 27 GLY N N 15 109.59 0.1 . 1 . . . . 27 GLY N . 15198 1 181 . 1 1 28 28 ASN H H 1 8.192 0.05 . 1 . . . . 28 ASN H . 15198 1 182 . 1 1 28 28 ASN HA H 1 4.73 0.05 . 1 . . . . 28 ASN HA . 15198 1 183 . 1 1 28 28 ASN HB2 H 1 2.749 0.05 . 2 . . . . 28 ASN HB2 . 15198 1 184 . 1 1 28 28 ASN C C 13 172.66 0.2 . 1 . . . . 28 ASN C . 15198 1 185 . 1 1 28 28 ASN CA C 13 52.88 0.2 . 1 . . . . 28 ASN CA . 15198 1 186 . 1 1 28 28 ASN CB C 13 38.2 0.2 . 1 . . . . 28 ASN CB . 15198 1 187 . 1 1 28 28 ASN N N 15 119.93 0.1 . 1 . . . . 28 ASN N . 15198 1 188 . 1 1 29 29 TRP H H 1 8.088 0.05 . 1 . . . . 29 TRP H . 15198 1 189 . 1 1 29 29 TRP HA H 1 4.611 0.05 . 1 . . . . 29 TRP HA . 15198 1 190 . 1 1 29 29 TRP HB2 H 1 3.297 0.05 . 2 . . . . 29 TRP HB2 . 15198 1 191 . 1 1 29 29 TRP C C 13 173.9 0.2 . 1 . . . . 29 TRP C . 15198 1 192 . 1 1 29 29 TRP CA C 13 57.71 0.2 . 1 . . . . 29 TRP CA . 15198 1 193 . 1 1 29 29 TRP CB C 13 28.87 0.2 . 1 . . . . 29 TRP CB . 15198 1 194 . 1 1 29 29 TRP N N 15 122.98 0.1 . 1 . . . . 29 TRP N . 15198 1 195 . 1 1 30 30 VAL H H 1 7.746 0.05 . 1 . . . . 30 VAL H . 15198 1 196 . 1 1 30 30 VAL HA H 1 3.873 0.05 . 1 . . . . 30 VAL HA . 15198 1 197 . 1 1 30 30 VAL HB H 1 1.941 0.05 . 1 . . . . 30 VAL HB . 15198 1 198 . 1 1 30 30 VAL C C 13 173.36 0.2 . 1 . . . . 30 VAL C . 15198 1 199 . 1 1 30 30 VAL CA C 13 62.31 0.2 . 1 . . . . 30 VAL CA . 15198 1 200 . 1 1 30 30 VAL CB C 13 32.38 0.2 . 1 . . . . 30 VAL CB . 15198 1 201 . 1 1 30 30 VAL N N 15 123.47 0.1 . 1 . . . . 30 VAL N . 15198 1 202 . 1 1 31 31 ALA H H 1 8.038 0.05 . 1 . . . . 31 ALA H . 15198 1 203 . 1 1 31 31 ALA HA H 1 4.221 0.05 . 1 . . . . 31 ALA HA . 15198 1 204 . 1 1 31 31 ALA HB1 H 1 1.409 0.05 . 1 . . . . 31 ALA HB . 15198 1 205 . 1 1 31 31 ALA HB2 H 1 1.409 0.05 . 1 . . . . 31 ALA HB . 15198 1 206 . 1 1 31 31 ALA HB3 H 1 1.409 0.05 . 1 . . . . 31 ALA HB . 15198 1 207 . 1 1 31 31 ALA C C 13 175.49 0.2 . 1 . . . . 31 ALA C . 15198 1 208 . 1 1 31 31 ALA CA C 13 52.42 0.2 . 1 . . . . 31 ALA CA . 15198 1 209 . 1 1 31 31 ALA CB C 13 18.46 0.2 . 1 . . . . 31 ALA CB . 15198 1 210 . 1 1 31 31 ALA N N 15 127.55 0.1 . 1 . . . . 31 ALA N . 15198 1 211 . 1 1 32 32 ALA H H 1 8.098 0.05 . 1 . . . . 32 ALA H . 15198 1 212 . 1 1 32 32 ALA HA H 1 4.229 0.05 . 1 . . . . 32 ALA HA . 15198 1 213 . 1 1 32 32 ALA HB1 H 1 1.409 0.05 . 1 . . . . 32 ALA HB . 15198 1 214 . 1 1 32 32 ALA HB2 H 1 1.409 0.05 . 1 . . . . 32 ALA HB . 15198 1 215 . 1 1 32 32 ALA HB3 H 1 1.409 0.05 . 1 . . . . 32 ALA HB . 15198 1 216 . 1 1 32 32 ALA C C 13 175.73 0.2 . 1 . . . . 32 ALA C . 15198 1 217 . 1 1 32 32 ALA CA C 13 52.44 0.2 . 1 . . . . 32 ALA CA . 15198 1 218 . 1 1 32 32 ALA CB C 13 18.49 0.2 . 1 . . . . 32 ALA CB . 15198 1 219 . 1 1 32 32 ALA N N 15 123.75 0.1 . 1 . . . . 32 ALA N . 15198 1 220 . 1 1 33 33 ALA H H 1 8.116 0.05 . 1 . . . . 33 ALA H . 15198 1 221 . 1 1 33 33 ALA HA H 1 4.234 0.05 . 1 . . . . 33 ALA HA . 15198 1 222 . 1 1 33 33 ALA HB1 H 1 1.368 0.05 . 1 . . . . 33 ALA HB . 15198 1 223 . 1 1 33 33 ALA HB2 H 1 1.368 0.05 . 1 . . . . 33 ALA HB . 15198 1 224 . 1 1 33 33 ALA HB3 H 1 1.368 0.05 . 1 . . . . 33 ALA HB . 15198 1 225 . 1 1 33 33 ALA C C 13 175.73 0.2 . 1 . . . . 33 ALA C . 15198 1 226 . 1 1 33 33 ALA CA C 13 52.44 0.2 . 1 . . . . 33 ALA CA . 15198 1 227 . 1 1 33 33 ALA CB C 13 18.49 0.2 . 1 . . . . 33 ALA CB . 15198 1 228 . 1 1 33 33 ALA N N 15 123.79 0.1 . 1 . . . . 33 ALA N . 15198 1 229 . 1 1 34 34 LYS H H 1 8.071 0.05 . 1 . . . . 34 LYS H . 15198 1 230 . 1 1 34 34 LYS HA H 1 4.201 0.05 . 1 . . . . 34 LYS HA . 15198 1 231 . 1 1 34 34 LYS HB2 H 1 1.712 0.05 . 2 . . . . 34 LYS HB2 . 15198 1 232 . 1 1 34 34 LYS C C 13 174.15 0.2 . 1 . . . . 34 LYS C . 15198 1 233 . 1 1 34 34 LYS CA C 13 56.41 0.2 . 1 . . . . 34 LYS CA . 15198 1 234 . 1 1 34 34 LYS CB C 13 32.34 0.2 . 1 . . . . 34 LYS CB . 15198 1 235 . 1 1 34 34 LYS N N 15 120.7 0.1 . 1 . . . . 34 LYS N . 15198 1 236 . 1 1 35 35 PHE H H 1 8.105 0.05 . 1 . . . . 35 PHE H . 15198 1 237 . 1 1 35 35 PHE HA H 1 4.616 0.05 . 1 . . . . 35 PHE HA . 15198 1 238 . 1 1 35 35 PHE HB2 H 1 3.162 0.05 . 2 . . . . 35 PHE HB2 . 15198 1 239 . 1 1 35 35 PHE HB3 H 1 3.072 0.05 . 2 . . . . 35 PHE HB3 . 15198 1 240 . 1 1 35 35 PHE C C 13 173.38 0.2 . 1 . . . . 35 PHE C . 15198 1 241 . 1 1 35 35 PHE CA C 13 57.68 0.2 . 1 . . . . 35 PHE CA . 15198 1 242 . 1 1 35 35 PHE CB C 13 39.05 0.2 . 1 . . . . 35 PHE CB . 15198 1 243 . 1 1 35 35 PHE N N 15 121.59 0.1 . 1 . . . . 35 PHE N . 15198 1 244 . 1 1 36 36 GLU H H 1 8.155 0.05 . 1 . . . . 36 GLU H . 15198 1 245 . 1 1 36 36 GLU HA H 1 4.36 0.05 . 1 . . . . 36 GLU HA . 15198 1 246 . 1 1 36 36 GLU HB2 H 1 2.099 0.05 . 2 . . . . 36 GLU HB2 . 15198 1 247 . 1 1 36 36 GLU HB3 H 1 1.964 0.05 . 2 . . . . 36 GLU HB3 . 15198 1 248 . 1 1 36 36 GLU C C 13 173.4 0.2 . 1 . . . . 36 GLU C . 15198 1 249 . 1 1 36 36 GLU CA C 13 55.34 0.2 . 1 . . . . 36 GLU CA . 15198 1 250 . 1 1 36 36 GLU CB C 13 28.33 0.2 . 1 . . . . 36 GLU CB . 15198 1 251 . 1 1 36 36 GLU N N 15 122.68 0.1 . 1 . . . . 36 GLU N . 15198 1 252 . 1 1 37 37 SER H H 1 8.273 0.05 . 1 . . . . 37 SER H . 15198 1 253 . 1 1 37 37 SER HA H 1 4.383 0.05 . 1 . . . . 37 SER HA . 15198 1 254 . 1 1 37 37 SER HB2 H 1 3.866 0.05 . 2 . . . . 37 SER HB2 . 15198 1 255 . 1 1 37 37 SER C C 13 171.88 0.2 . 1 . . . . 37 SER C . 15198 1 256 . 1 1 37 37 SER CA C 13 58.39 0.2 . 1 . . . . 37 SER CA . 15198 1 257 . 1 1 37 37 SER CB C 13 63.47 0.2 . 1 . . . . 37 SER CB . 15198 1 258 . 1 1 37 37 SER N N 15 117.77 0.1 . 1 . . . . 37 SER N . 15198 1 259 . 1 1 38 38 ASN H H 1 8.351 0.05 . 1 . . . . 38 ASN H . 15198 1 260 . 1 1 38 38 ASN HA H 1 4.704 0.05 . 1 . . . . 38 ASN HA . 15198 1 261 . 1 1 38 38 ASN HB2 H 1 2.738 0.05 . 2 . . . . 38 ASN HB2 . 15198 1 262 . 1 1 38 38 ASN C C 13 172.62 0.2 . 1 . . . . 38 ASN C . 15198 1 263 . 1 1 38 38 ASN CA C 13 53.12 0.2 . 1 . . . . 38 ASN CA . 15198 1 264 . 1 1 38 38 ASN CB C 13 38.34 0.2 . 1 . . . . 38 ASN CB . 15198 1 265 . 1 1 38 38 ASN N N 15 121.28 0.1 . 1 . . . . 38 ASN N . 15198 1 266 . 1 1 39 39 PHE H H 1 8.154 0.05 . 1 . . . . 39 PHE H . 15198 1 267 . 1 1 39 39 PHE HA H 1 4.602 0.05 . 1 . . . . 39 PHE HA . 15198 1 268 . 1 1 39 39 PHE HB2 H 1 3.167 0.05 . 2 . . . . 39 PHE HB2 . 15198 1 269 . 1 1 39 39 PHE HB3 H 1 3.031 0.05 . 2 . . . . 39 PHE HB3 . 15198 1 270 . 1 1 39 39 PHE C C 13 173.2 0.2 . 1 . . . . 39 PHE C . 15198 1 271 . 1 1 39 39 PHE CA C 13 57.8 0.2 . 1 . . . . 39 PHE CA . 15198 1 272 . 1 1 39 39 PHE CB C 13 38.88 0.2 . 1 . . . . 39 PHE CB . 15198 1 273 . 1 1 39 39 PHE N N 15 121.48 0.1 . 1 . . . . 39 PHE N . 15198 1 274 . 1 1 40 40 ASN H H 1 8.346 0.05 . 1 . . . . 40 ASN H . 15198 1 275 . 1 1 40 40 ASN HA H 1 4.756 0.05 . 1 . . . . 40 ASN HA . 15198 1 276 . 1 1 40 40 ASN HB2 H 1 2.882 0.05 . 2 . . . . 40 ASN HB2 . 15198 1 277 . 1 1 40 40 ASN HB3 H 1 2.747 0.05 . 2 . . . . 40 ASN HB3 . 15198 1 278 . 1 1 40 40 ASN C C 13 173.18 0.2 . 1 . . . . 40 ASN C . 15198 1 279 . 1 1 40 40 ASN CA C 13 53.04 0.2 . 1 . . . . 40 ASN CA . 15198 1 280 . 1 1 40 40 ASN CB C 13 38.29 0.2 . 1 . . . . 40 ASN CB . 15198 1 281 . 1 1 40 40 ASN N N 15 121.25 0.1 . 1 . . . . 40 ASN N . 15198 1 282 . 1 1 41 41 THR H H 1 8.12 0.05 . 1 . . . . 41 THR H . 15198 1 283 . 1 1 41 41 THR HA H 1 4.321 0.05 . 1 . . . . 41 THR HA . 15198 1 284 . 1 1 41 41 THR HB H 1 4.294 0.05 . 1 . . . . 41 THR HB . 15198 1 285 . 1 1 41 41 THR C C 13 172.43 0.2 . 1 . . . . 41 THR C . 15198 1 286 . 1 1 41 41 THR CA C 13 61.92 0.2 . 1 . . . . 41 THR CA . 15198 1 287 . 1 1 41 41 THR CB C 13 69.3 0.2 . 1 . . . . 41 THR CB . 15198 1 288 . 1 1 41 41 THR N N 15 115.6 0.1 . 1 . . . . 41 THR N . 15198 1 289 . 1 1 42 42 GLN H H 1 8.331 0.05 . 1 . . . . 42 GLN H . 15198 1 290 . 1 1 42 42 GLN HA H 1 4.35 0.05 . 1 . . . . 42 GLN HA . 15198 1 291 . 1 1 42 42 GLN HB2 H 1 2.151 0.05 . 2 . . . . 42 GLN HB2 . 15198 1 292 . 1 1 42 42 GLN HB3 H 1 2.029 0.05 . 2 . . . . 42 GLN HB3 . 15198 1 293 . 1 1 42 42 GLN C C 13 173.58 0.2 . 1 . . . . 42 GLN C . 15198 1 294 . 1 1 42 42 GLN CA C 13 55.69 0.2 . 1 . . . . 42 GLN CA . 15198 1 295 . 1 1 42 42 GLN CB C 13 28.76 0.2 . 1 . . . . 42 GLN CB . 15198 1 296 . 1 1 42 42 GLN N N 15 123.18 0.1 . 1 . . . . 42 GLN N . 15198 1 297 . 1 1 43 43 ALA H H 1 8.282 0.05 . 1 . . . . 43 ALA H . 15198 1 298 . 1 1 43 43 ALA HA H 1 4.374 0.05 . 1 . . . . 43 ALA HA . 15198 1 299 . 1 1 43 43 ALA HB1 H 1 1.442 0.05 . 1 . . . . 43 ALA HB . 15198 1 300 . 1 1 43 43 ALA HB2 H 1 1.442 0.05 . 1 . . . . 43 ALA HB . 15198 1 301 . 1 1 43 43 ALA HB3 H 1 1.442 0.05 . 1 . . . . 43 ALA HB . 15198 1 302 . 1 1 43 43 ALA C C 13 175.69 0.2 . 1 . . . . 43 ALA C . 15198 1 303 . 1 1 43 43 ALA CA C 13 52.43 0.2 . 1 . . . . 43 ALA CA . 15198 1 304 . 1 1 43 43 ALA CB C 13 18.62 0.2 . 1 . . . . 43 ALA CB . 15198 1 305 . 1 1 43 43 ALA N N 15 125.97 0.1 . 1 . . . . 43 ALA N . 15198 1 306 . 1 1 44 44 THR H H 1 8.103 0.05 . 1 . . . . 44 THR H . 15198 1 307 . 1 1 44 44 THR HA H 1 4.325 0.05 . 1 . . . . 44 THR HA . 15198 1 308 . 1 1 44 44 THR HB H 1 4.171 0.05 . 1 . . . . 44 THR HB . 15198 1 309 . 1 1 44 44 THR C C 13 172.05 0.2 . 1 . . . . 44 THR C . 15198 1 310 . 1 1 44 44 THR CA C 13 61.69 0.2 . 1 . . . . 44 THR CA . 15198 1 311 . 1 1 44 44 THR CB C 13 69.49 0.2 . 1 . . . . 44 THR CB . 15198 1 312 . 1 1 44 44 THR N N 15 113.86 0.1 . 1 . . . . 44 THR N . 15198 1 313 . 1 1 45 45 ASN H H 1 8.381 0.05 . 1 . . . . 45 ASN H . 15198 1 314 . 1 1 45 45 ASN HA H 1 4.753 0.05 . 1 . . . . 45 ASN HA . 15198 1 315 . 1 1 45 45 ASN HB2 H 1 2.863 0.05 . 2 . . . . 45 ASN HB2 . 15198 1 316 . 1 1 45 45 ASN C C 13 172.84 0.2 . 1 . . . . 45 ASN C . 15198 1 317 . 1 1 45 45 ASN CA C 13 52.93 0.2 . 1 . . . . 45 ASN CA . 15198 1 318 . 1 1 45 45 ASN CB C 13 38.26 0.2 . 1 . . . . 45 ASN CB . 15198 1 319 . 1 1 45 45 ASN N N 15 122.09 0.1 . 1 . . . . 45 ASN N . 15198 1 320 . 1 1 46 46 ARG H H 1 8.334 0.05 . 1 . . . . 46 ARG H . 15198 1 321 . 1 1 46 46 ARG HA H 1 4.36 0.05 . 1 . . . . 46 ARG HA . 15198 1 322 . 1 1 46 46 ARG HB2 H 1 1.908 0.05 . 2 . . . . 46 ARG HB2 . 15198 1 323 . 1 1 46 46 ARG HB3 H 1 1.782 0.05 . 2 . . . . 46 ARG HB3 . 15198 1 324 . 1 1 46 46 ARG C C 13 173.75 0.2 . 1 . . . . 46 ARG C . 15198 1 325 . 1 1 46 46 ARG CA C 13 55.94 0.2 . 1 . . . . 46 ARG CA . 15198 1 326 . 1 1 46 46 ARG CB C 13 30.13 0.2 . 1 . . . . 46 ARG CB . 15198 1 327 . 1 1 46 46 ARG N N 15 122.54 0.1 . 1 . . . . 46 ARG N . 15198 1 328 . 1 1 47 47 ASN H H 1 8.5 0.05 . 1 . . . . 47 ASN H . 15198 1 329 . 1 1 47 47 ASN HA H 1 4.802 0.05 . 1 . . . . 47 ASN HA . 15198 1 330 . 1 1 47 47 ASN HB2 H 1 2.906 0.05 . 2 . . . . 47 ASN HB2 . 15198 1 331 . 1 1 47 47 ASN HB3 H 1 2.84 0.05 . 2 . . . . 47 ASN HB3 . 15198 1 332 . 1 1 47 47 ASN C C 13 173.36 0.2 . 1 . . . . 47 ASN C . 15198 1 333 . 1 1 47 47 ASN CA C 13 53.13 0.2 . 1 . . . . 47 ASN CA . 15198 1 334 . 1 1 47 47 ASN CB C 13 38.29 0.2 . 1 . . . . 47 ASN CB . 15198 1 335 . 1 1 47 47 ASN N N 15 120.7 0.1 . 1 . . . . 47 ASN N . 15198 1 336 . 1 1 48 48 THR H H 1 8.18 0.05 . 1 . . . . 48 THR H . 15198 1 337 . 1 1 48 48 THR HA H 1 4.364 0.05 . 1 . . . . 48 THR HA . 15198 1 338 . 1 1 48 48 THR HB H 1 4.344 0.05 . 1 . . . . 48 THR HB . 15198 1 339 . 1 1 48 48 THR C C 13 172.37 0.2 . 1 . . . . 48 THR C . 15198 1 340 . 1 1 48 48 THR CA C 13 61.69 0.2 . 1 . . . . 48 THR CA . 15198 1 341 . 1 1 48 48 THR CB C 13 69.26 0.2 . 1 . . . . 48 THR CB . 15198 1 342 . 1 1 48 48 THR N N 15 115.17 0.1 . 1 . . . . 48 THR N . 15198 1 343 . 1 1 49 49 ASP H H 1 8.51 0.05 . 1 . . . . 49 ASP H . 15198 1 344 . 1 1 49 49 ASP HA H 1 4.757 0.05 . 1 . . . . 49 ASP HA . 15198 1 345 . 1 1 49 49 ASP HB2 H 1 2.976 0.05 . 2 . . . . 49 ASP HB2 . 15198 1 346 . 1 1 49 49 ASP C C 13 173.29 0.2 . 1 . . . . 49 ASP C . 15198 1 347 . 1 1 49 49 ASP CA C 13 52.88 0.2 . 1 . . . . 49 ASP CA . 15198 1 348 . 1 1 49 49 ASP CB C 13 37.47 0.2 . 1 . . . . 49 ASP CB . 15198 1 349 . 1 1 49 49 ASP N N 15 121.95 0.1 . 1 . . . . 49 ASP N . 15198 1 350 . 1 1 50 50 GLY H H 1 8.388 0.05 . 1 . . . . 50 GLY H . 15198 1 351 . 1 1 50 50 GLY HA2 H 1 4.029 0.05 . 2 . . . . 50 GLY HA . 15198 1 352 . 1 1 50 50 GLY HA3 H 1 4.029 0.05 . 2 . . . . 50 GLY HA . 15198 1 353 . 1 1 50 50 GLY C C 13 171.95 0.2 . 1 . . . . 50 GLY C . 15198 1 354 . 1 1 50 50 GLY CA C 13 45.11 0.2 . 1 . . . . 50 GLY CA . 15198 1 355 . 1 1 50 50 GLY N N 15 110.62 0.1 . 1 . . . . 50 GLY N . 15198 1 356 . 1 1 51 51 SER H H 1 8.175 0.05 . 1 . . . . 51 SER H . 15198 1 357 . 1 1 51 51 SER HA H 1 4.541 0.05 . 1 . . . . 51 SER HA . 15198 1 358 . 1 1 51 51 SER HB2 H 1 3.931 0.05 . 2 . . . . 51 SER HB2 . 15198 1 359 . 1 1 51 51 SER C C 13 172.57 0.2 . 1 . . . . 51 SER C . 15198 1 360 . 1 1 51 51 SER CA C 13 58.29 0.2 . 1 . . . . 51 SER CA . 15198 1 361 . 1 1 51 51 SER CB C 13 63.59 0.2 . 1 . . . . 51 SER CB . 15198 1 362 . 1 1 51 51 SER N N 15 116.63 0.1 . 1 . . . . 51 SER N . 15198 1 363 . 1 1 52 52 THR H H 1 8.214 0.05 . 1 . . . . 52 THR H . 15198 1 364 . 1 1 52 52 THR HA H 1 4.332 0.05 . 1 . . . . 52 THR HA . 15198 1 365 . 1 1 52 52 THR HB H 1 4.173 0.05 . 1 . . . . 52 THR HB . 15198 1 366 . 1 1 52 52 THR C C 13 171.79 0.2 . 1 . . . . 52 THR C . 15198 1 367 . 1 1 52 52 THR CA C 13 61.69 0.2 . 1 . . . . 52 THR CA . 15198 1 368 . 1 1 52 52 THR CB C 13 69.39 0.2 . 1 . . . . 52 THR CB . 15198 1 369 . 1 1 52 52 THR N N 15 116.76 0.1 . 1 . . . . 52 THR N . 15198 1 370 . 1 1 53 53 ASP H H 1 8.388 0.05 . 1 . . . . 53 ASP H . 15198 1 371 . 1 1 53 53 ASP HA H 1 4.751 0.05 . 1 . . . . 53 ASP HA . 15198 1 372 . 1 1 53 53 ASP HB2 H 1 2.78 0.05 . 2 . . . . 53 ASP HB2 . 15198 1 373 . 1 1 53 53 ASP C C 13 172.4 0.2 . 1 . . . . 53 ASP C . 15198 1 374 . 1 1 53 53 ASP CA C 13 52.8 0.2 . 1 . . . . 53 ASP CA . 15198 1 375 . 1 1 53 53 ASP CB C 13 38.12 0.2 . 1 . . . . 53 ASP CB . 15198 1 376 . 1 1 53 53 ASP N N 15 122.12 0.1 . 1 . . . . 53 ASP N . 15198 1 377 . 1 1 54 54 TYR H H 1 8.139 0.05 . 1 . . . . 54 TYR H . 15198 1 378 . 1 1 54 54 TYR HA H 1 4.503 0.05 . 1 . . . . 54 TYR HA . 15198 1 379 . 1 1 54 54 TYR HB2 H 1 3.112 0.05 . 2 . . . . 54 TYR HB2 . 15198 1 380 . 1 1 54 54 TYR HB3 H 1 2.972 0.05 . 2 . . . . 54 TYR HB3 . 15198 1 381 . 1 1 54 54 TYR C C 13 174.04 0.2 . 1 . . . . 54 TYR C . 15198 1 382 . 1 1 54 54 TYR CA C 13 58.31 0.2 . 1 . . . . 54 TYR CA . 15198 1 383 . 1 1 54 54 TYR CB C 13 37.9 0.2 . 1 . . . . 54 TYR CB . 15198 1 384 . 1 1 54 54 TYR N N 15 121.98 0.1 . 1 . . . . 54 TYR N . 15198 1 385 . 1 1 55 55 GLY H H 1 8.279 0.05 . 1 . . . . 55 GLY H . 15198 1 386 . 1 1 55 55 GLY HA2 H 1 3.926 0.05 . 2 . . . . 55 GLY HA . 15198 1 387 . 1 1 55 55 GLY HA3 H 1 3.926 0.05 . 2 . . . . 55 GLY HA . 15198 1 388 . 1 1 55 55 GLY C C 13 171.89 0.2 . 1 . . . . 55 GLY C . 15198 1 389 . 1 1 55 55 GLY CA C 13 45.16 0.2 . 1 . . . . 55 GLY CA . 15198 1 390 . 1 1 55 55 GLY N N 15 110.88 0.1 . 1 . . . . 55 GLY N . 15198 1 391 . 1 1 56 56 ILE H H 1 7.847 0.05 . 1 . . . . 56 ILE H . 15198 1 392 . 1 1 56 56 ILE HA H 1 4.178 0.05 . 1 . . . . 56 ILE HA . 15198 1 393 . 1 1 56 56 ILE HB H 1 1.908 0.05 . 1 . . . . 56 ILE HB . 15198 1 394 . 1 1 56 56 ILE C C 13 173.99 0.2 . 1 . . . . 56 ILE C . 15198 1 395 . 1 1 56 56 ILE CA C 13 61.21 0.2 . 1 . . . . 56 ILE CA . 15198 1 396 . 1 1 56 56 ILE CB C 13 38.1 0.2 . 1 . . . . 56 ILE CB . 15198 1 397 . 1 1 56 56 ILE N N 15 120.85 0.1 . 1 . . . . 56 ILE N . 15198 1 398 . 1 1 57 57 LEU H H 1 8.221 0.05 . 1 . . . . 57 LEU H . 15198 1 399 . 1 1 57 57 LEU HA H 1 4.366 0.05 . 1 . . . . 57 LEU HA . 15198 1 400 . 1 1 57 57 LEU HB2 H 1 1.563 0.05 . 2 . . . . 57 LEU HB2 . 15198 1 401 . 1 1 57 57 LEU C C 13 174.95 0.2 . 1 . . . . 57 LEU C . 15198 1 402 . 1 1 57 57 LEU CA C 13 55.13 0.2 . 1 . . . . 57 LEU CA . 15198 1 403 . 1 1 57 57 LEU CB C 13 41.81 0.2 . 1 . . . . 57 LEU CB . 15198 1 404 . 1 1 57 57 LEU N N 15 126.06 0.1 . 1 . . . . 57 LEU N . 15198 1 405 . 1 1 58 58 GLN H H 1 8.274 0.05 . 1 . . . . 58 GLN H . 15198 1 406 . 1 1 58 58 GLN HA H 1 4.339 0.05 . 1 . . . . 58 GLN HA . 15198 1 407 . 1 1 58 58 GLN HB2 H 1 2.081 0.05 . 2 . . . . 58 GLN HB2 . 15198 1 408 . 1 1 58 58 GLN HB3 H 1 1.972 0.05 . 2 . . . . 58 GLN HB3 . 15198 1 409 . 1 1 58 58 GLN C C 13 173.84 0.2 . 1 . . . . 58 GLN C . 15198 1 410 . 1 1 58 58 GLN CA C 13 55.46 0.2 . 1 . . . . 58 GLN CA . 15198 1 411 . 1 1 58 58 GLN CB C 13 28.63 0.2 . 1 . . . . 58 GLN CB . 15198 1 412 . 1 1 58 58 GLN N N 15 122.46 0.1 . 1 . . . . 58 GLN N . 15198 1 413 . 1 1 59 59 ILE H H 1 8.099 0.05 . 1 . . . . 59 ILE H . 15198 1 414 . 1 1 59 59 ILE HA H 1 4.057 0.05 . 1 . . . . 59 ILE HA . 15198 1 415 . 1 1 59 59 ILE HB H 1 1.858 0.05 . 1 . . . . 59 ILE HB . 15198 1 416 . 1 1 59 59 ILE C C 13 173.74 0.2 . 1 . . . . 59 ILE C . 15198 1 417 . 1 1 59 59 ILE CA C 13 61.54 0.2 . 1 . . . . 59 ILE CA . 15198 1 418 . 1 1 59 59 ILE CB C 13 38 0.2 . 1 . . . . 59 ILE CB . 15198 1 419 . 1 1 59 59 ILE N N 15 122.63 0.1 . 1 . . . . 59 ILE N . 15198 1 420 . 1 1 60 60 ASN H H 1 8.359 0.05 . 1 . . . . 60 ASN H . 15198 1 421 . 1 1 60 60 ASN HA H 1 4.751 0.05 . 1 . . . . 60 ASN HA . 15198 1 422 . 1 1 60 60 ASN HB2 H 1 2.84 0.05 . 2 . . . . 60 ASN HB2 . 15198 1 423 . 1 1 60 60 ASN C C 13 173.06 0.2 . 1 . . . . 60 ASN C . 15198 1 424 . 1 1 60 60 ASN CA C 13 53.09 0.2 . 1 . . . . 60 ASN CA . 15198 1 425 . 1 1 60 60 ASN CB C 13 38.21 0.2 . 1 . . . . 60 ASN CB . 15198 1 426 . 1 1 60 60 ASN N N 15 122.71 0.1 . 1 . . . . 60 ASN N . 15198 1 427 . 1 1 61 61 SER H H 1 8.201 0.05 . 1 . . . . 61 SER H . 15198 1 428 . 1 1 61 61 SER HA H 1 4.29 0.05 . 1 . . . . 61 SER HA . 15198 1 429 . 1 1 61 61 SER HB2 H 1 3.903 0.05 . 2 . . . . 61 SER HB2 . 15198 1 430 . 1 1 61 61 SER HB3 H 1 3.833 0.05 . 2 . . . . 61 SER HB3 . 15198 1 431 . 1 1 61 61 SER C C 13 172.62 0.2 . 1 . . . . 61 SER C . 15198 1 432 . 1 1 61 61 SER CA C 13 58.74 0.2 . 1 . . . . 61 SER CA . 15198 1 433 . 1 1 61 61 SER CB C 13 63.34 0.2 . 1 . . . . 61 SER CB . 15198 1 434 . 1 1 61 61 SER N N 15 117.45 0.1 . 1 . . . . 61 SER N . 15198 1 435 . 1 1 62 62 ARG H H 1 8.234 0.05 . 1 . . . . 62 ARG H . 15198 1 436 . 1 1 62 62 ARG HA H 1 4.066 0.05 . 1 . . . . 62 ARG HA . 15198 1 437 . 1 1 62 62 ARG HB2 H 1 1.517 0.05 . 2 . . . . 62 ARG HB2 . 15198 1 438 . 1 1 62 62 ARG C C 13 174.14 0.2 . 1 . . . . 62 ARG C . 15198 1 439 . 1 1 62 62 ARG CA C 13 56.24 0.2 . 1 . . . . 62 ARG CA . 15198 1 440 . 1 1 62 62 ARG CB C 13 29.29 0.2 . 1 . . . . 62 ARG CB . 15198 1 441 . 1 1 62 62 ARG N N 15 123.34 0.1 . 1 . . . . 62 ARG N . 15198 1 442 . 1 1 63 63 TRP H H 1 7.82 0.05 . 1 . . . . 63 TRP H . 15198 1 443 . 1 1 63 63 TRP HA H 1 4.566 0.05 . 1 . . . . 63 TRP HA . 15198 1 444 . 1 1 63 63 TRP HB2 H 1 3.24 0.05 . 2 . . . . 63 TRP HB2 . 15198 1 445 . 1 1 63 63 TRP C C 13 173.95 0.2 . 1 . . . . 63 TRP C . 15198 1 446 . 1 1 63 63 TRP CA C 13 57.51 0.2 . 1 . . . . 63 TRP CA . 15198 1 447 . 1 1 63 63 TRP CB C 13 28.82 0.2 . 1 . . . . 63 TRP CB . 15198 1 448 . 1 1 63 63 TRP N N 15 121.8 0.1 . 1 . . . . 63 TRP N . 15198 1 449 . 1 1 64 64 TRP H H 1 7.396 0.05 . 1 . . . . 64 TRP H . 15198 1 450 . 1 1 64 64 TRP HA H 1 4.471 0.05 . 1 . . . . 64 TRP HA . 15198 1 451 . 1 1 64 64 TRP HB2 H 1 3.139 0.05 . 2 . . . . 64 TRP HB2 . 15198 1 452 . 1 1 64 64 TRP HB3 H 1 2.98 0.05 . 2 . . . . 64 TRP HB3 . 15198 1 453 . 1 1 64 64 TRP C C 13 173.62 0.2 . 1 . . . . 64 TRP C . 15198 1 454 . 1 1 64 64 TRP CA C 13 57.06 0.2 . 1 . . . . 64 TRP CA . 15198 1 455 . 1 1 64 64 TRP CB C 13 28.75 0.2 . 1 . . . . 64 TRP CB . 15198 1 456 . 1 1 64 64 TRP N N 15 121.87 0.1 . 1 . . . . 64 TRP N . 15198 1 457 . 1 1 65 65 ALA H H 1 7.724 0.05 . 1 . . . . 65 ALA H . 15198 1 458 . 1 1 65 65 ALA HA H 1 4.178 0.05 . 1 . . . . 65 ALA HA . 15198 1 459 . 1 1 65 65 ALA HB1 H 1 1.251 0.05 . 1 . . . . 65 ALA HB . 15198 1 460 . 1 1 65 65 ALA HB2 H 1 1.251 0.05 . 1 . . . . 65 ALA HB . 15198 1 461 . 1 1 65 65 ALA HB3 H 1 1.251 0.05 . 1 . . . . 65 ALA HB . 15198 1 462 . 1 1 65 65 ALA C C 13 175.09 0.2 . 1 . . . . 65 ALA C . 15198 1 463 . 1 1 65 65 ALA CA C 13 52.37 0.2 . 1 . . . . 65 ALA CA . 15198 1 464 . 1 1 65 65 ALA CB C 13 18.45 0.2 . 1 . . . . 65 ALA CB . 15198 1 465 . 1 1 65 65 ALA N N 15 125.22 0.1 . 1 . . . . 65 ALA N . 15198 1 466 . 1 1 66 66 ASN H H 1 8.113 0.05 . 1 . . . . 66 ASN H . 15198 1 467 . 1 1 66 66 ASN HA H 1 4.658 0.05 . 1 . . . . 66 ASN HA . 15198 1 468 . 1 1 66 66 ASN HB2 H 1 2.887 0.05 . 2 . . . . 66 ASN HB2 . 15198 1 469 . 1 1 66 66 ASN HB3 H 1 2.71 0.05 . 2 . . . . 66 ASN HB3 . 15198 1 470 . 1 1 66 66 ASN C C 13 172.91 0.2 . 1 . . . . 66 ASN C . 15198 1 471 . 1 1 66 66 ASN CA C 13 52.96 0.2 . 1 . . . . 66 ASN CA . 15198 1 472 . 1 1 66 66 ASN CB C 13 38.2 0.2 . 1 . . . . 66 ASN CB . 15198 1 473 . 1 1 66 66 ASN N N 15 118.12 0.1 . 1 . . . . 66 ASN N . 15198 1 474 . 1 1 67 67 ASP H H 1 8.331 0.05 . 1 . . . . 67 ASP H . 15198 1 475 . 1 1 67 67 ASP HA H 1 4.662 0.05 . 1 . . . . 67 ASP HA . 15198 1 476 . 1 1 67 67 ASP HB2 H 1 2.953 0.05 . 2 . . . . 67 ASP HB2 . 15198 1 477 . 1 1 67 67 ASP HB3 H 1 2.844 0.05 . 2 . . . . 67 ASP HB3 . 15198 1 478 . 1 1 67 67 ASP C C 13 173.15 0.2 . 1 . . . . 67 ASP C . 15198 1 479 . 1 1 67 67 ASP CA C 13 52.88 0.2 . 1 . . . . 67 ASP CA . 15198 1 480 . 1 1 67 67 ASP CB C 13 37.35 0.2 . 1 . . . . 67 ASP CB . 15198 1 481 . 1 1 67 67 ASP N N 15 119.53 0.1 . 1 . . . . 67 ASP N . 15198 1 482 . 1 1 68 68 GLY H H 1 8.316 0.05 . 1 . . . . 68 GLY H . 15198 1 483 . 1 1 68 68 GLY HA2 H 1 3.889 0.05 . 2 . . . . 68 GLY HA . 15198 1 484 . 1 1 68 68 GLY HA3 H 1 3.889 0.05 . 2 . . . . 68 GLY HA . 15198 1 485 . 1 1 68 68 GLY C C 13 171.73 0.2 . 1 . . . . 68 GLY C . 15198 1 486 . 1 1 68 68 GLY CA C 13 45.23 0.2 . 1 . . . . 68 GLY CA . 15198 1 487 . 1 1 68 68 GLY N N 15 109.46 0.1 . 1 . . . . 68 GLY N . 15198 1 488 . 1 1 69 69 ARG H H 1 7.964 0.05 . 1 . . . . 69 ARG H . 15198 1 489 . 1 1 69 69 ARG HA H 1 4.452 0.05 . 1 . . . . 69 ARG HA . 15198 1 490 . 1 1 69 69 ARG HB2 H 1 1.838 0.05 . 2 . . . . 69 ARG HB2 . 15198 1 491 . 1 1 69 69 ARG C C 13 173.93 0.2 . 1 . . . . 69 ARG C . 15198 1 492 . 1 1 69 69 ARG CA C 13 55.55 0.2 . 1 . . . . 69 ARG CA . 15198 1 493 . 1 1 69 69 ARG CB C 13 30.43 0.2 . 1 . . . . 69 ARG CB . 15198 1 494 . 1 1 69 69 ARG N N 15 120.99 0.1 . 1 . . . . 69 ARG N . 15198 1 495 . 1 1 70 70 THR H H 1 8.251 0.05 . 1 . . . . 70 THR H . 15198 1 496 . 1 1 70 70 THR C C 13 170.7 0.2 . 1 . . . . 70 THR C . 15198 1 497 . 1 1 70 70 THR CA C 13 59.62 0.2 . 1 . . . . 70 THR CA . 15198 1 498 . 1 1 70 70 THR CB C 13 69.31 0.2 . 1 . . . . 70 THR CB . 15198 1 499 . 1 1 70 70 THR N N 15 118.25 0.1 . 1 . . . . 70 THR N . 15198 1 500 . 1 1 72 72 GLY H H 1 8.483 0.05 . 1 . . . . 72 GLY H . 15198 1 501 . 1 1 72 72 GLY HA2 H 1 4.005 0.05 . 2 . . . . 72 GLY HA . 15198 1 502 . 1 1 72 72 GLY HA3 H 1 4.005 0.05 . 2 . . . . 72 GLY HA . 15198 1 503 . 1 1 72 72 GLY C C 13 171.95 0.2 . 1 . . . . 72 GLY C . 15198 1 504 . 1 1 72 72 GLY CA C 13 44.92 0.2 . 1 . . . . 72 GLY CA . 15198 1 505 . 1 1 72 72 GLY N N 15 110.54 0.1 . 1 . . . . 72 GLY N . 15198 1 506 . 1 1 73 73 SER H H 1 8.126 0.05 . 1 . . . . 73 SER H . 15198 1 507 . 1 1 73 73 SER HA H 1 4.471 0.05 . 1 . . . . 73 SER HA . 15198 1 508 . 1 1 73 73 SER HB2 H 1 3.926 0.05 . 2 . . . . 73 SER HB2 . 15198 1 509 . 1 1 73 73 SER C C 13 172.37 0.2 . 1 . . . . 73 SER C . 15198 1 510 . 1 1 73 73 SER CA C 13 58.33 0.2 . 1 . . . . 73 SER CA . 15198 1 511 . 1 1 73 73 SER CB C 13 63.62 0.2 . 1 . . . . 73 SER CB . 15198 1 512 . 1 1 73 73 SER N N 15 116.63 0.1 . 1 . . . . 73 SER N . 15198 1 513 . 1 1 74 74 ARG H H 1 8.421 0.05 . 1 . . . . 74 ARG H . 15198 1 514 . 1 1 74 74 ARG HA H 1 4.364 0.05 . 1 . . . . 74 ARG HA . 15198 1 515 . 1 1 74 74 ARG HB2 H 1 1.89 0.05 . 2 . . . . 74 ARG HB2 . 15198 1 516 . 1 1 74 74 ARG HB3 H 1 1.773 0.05 . 2 . . . . 74 ARG HB3 . 15198 1 517 . 1 1 74 74 ARG C C 13 173.52 0.2 . 1 . . . . 74 ARG C . 15198 1 518 . 1 1 74 74 ARG CA C 13 55.88 0.2 . 1 . . . . 74 ARG CA . 15198 1 519 . 1 1 74 74 ARG CB C 13 30.21 0.2 . 1 . . . . 74 ARG CB . 15198 1 520 . 1 1 74 74 ARG N N 15 123.75 0.1 . 1 . . . . 74 ARG N . 15198 1 521 . 1 1 75 75 ASN H H 1 8.44 0.05 . 1 . . . . 75 ASN H . 15198 1 522 . 1 1 75 75 ASN HA H 1 4.723 0.05 . 1 . . . . 75 ASN HA . 15198 1 523 . 1 1 75 75 ASN HB2 H 1 2.892 0.05 . 2 . . . . 75 ASN HB2 . 15198 1 524 . 1 1 75 75 ASN HB3 H 1 2.752 0.05 . 2 . . . . 75 ASN HB3 . 15198 1 525 . 1 1 75 75 ASN C C 13 172.82 0.2 . 1 . . . . 75 ASN C . 15198 1 526 . 1 1 75 75 ASN CA C 13 52.88 0.2 . 1 . . . . 75 ASN CA . 15198 1 527 . 1 1 75 75 ASN CB C 13 38.18 0.2 . 1 . . . . 75 ASN CB . 15198 1 528 . 1 1 75 75 ASN N N 15 120.85 0.1 . 1 . . . . 75 ASN N . 15198 1 529 . 1 1 76 76 LEU H H 1 8.269 0.05 . 1 . . . . 76 LEU H . 15198 1 530 . 1 1 76 76 LEU HA H 1 4.346 0.05 . 1 . . . . 76 LEU HA . 15198 1 531 . 1 1 76 76 LEU HB2 H 1 1.647 0.05 . 2 . . . . 76 LEU HB2 . 15198 1 532 . 1 1 76 76 LEU C C 13 174.71 0.2 . 1 . . . . 76 LEU C . 15198 1 533 . 1 1 76 76 LEU CA C 13 55 0.2 . 1 . . . . 76 LEU CA . 15198 1 534 . 1 1 76 76 LEU CB C 13 41.78 0.2 . 1 . . . . 76 LEU CB . 15198 1 535 . 1 1 76 76 LEU N N 15 124.28 0.1 . 1 . . . . 76 LEU N . 15198 1 536 . 1 1 77 77 ALA H H 1 8.19 0.05 . 1 . . . . 77 ALA H . 15198 1 537 . 1 1 77 77 ALA HA H 1 4.313 0.05 . 1 . . . . 77 ALA HA . 15198 1 538 . 1 1 77 77 ALA HB1 H 1 1.409 0.05 . 1 . . . . 77 ALA HB . 15198 1 539 . 1 1 77 77 ALA HB2 H 1 1.409 0.05 . 1 . . . . 77 ALA HB . 15198 1 540 . 1 1 77 77 ALA HB3 H 1 1.409 0.05 . 1 . . . . 77 ALA HB . 15198 1 541 . 1 1 77 77 ALA C C 13 174.96 0.2 . 1 . . . . 77 ALA C . 15198 1 542 . 1 1 77 77 ALA CA C 13 52.19 0.2 . 1 . . . . 77 ALA CA . 15198 1 543 . 1 1 77 77 ALA CB C 13 18.66 0.2 . 1 . . . . 77 ALA CB . 15198 1 544 . 1 1 77 77 ALA N N 15 124.58 0.1 . 1 . . . . 77 ALA N . 15198 1 545 . 1 1 78 78 ASN H H 1 8.282 0.05 . 1 . . . . 78 ASN H . 15198 1 546 . 1 1 78 78 ASN HA H 1 4.709 0.05 . 1 . . . . 78 ASN HA . 15198 1 547 . 1 1 78 78 ASN HB2 H 1 2.84 0.05 . 2 . . . . 78 ASN HB2 . 15198 1 548 . 1 1 78 78 ASN HB3 H 1 2.733 0.05 . 2 . . . . 78 ASN HB3 . 15198 1 549 . 1 1 78 78 ASN C C 13 172.24 0.2 . 1 . . . . 78 ASN C . 15198 1 550 . 1 1 78 78 ASN CA C 13 52.53 0.2 . 1 . . . . 78 ASN CA . 15198 1 551 . 1 1 78 78 ASN CB C 13 38.34 0.2 . 1 . . . . 78 ASN CB . 15198 1 552 . 1 1 78 78 ASN N N 15 118.42 0.1 . 1 . . . . 78 ASN N . 15198 1 553 . 1 1 79 79 ILE H H 1 8.023 0.05 . 1 . . . . 79 ILE H . 15198 1 554 . 1 1 79 79 ILE C C 13 172.02 0.2 . 1 . . . . 79 ILE C . 15198 1 555 . 1 1 79 79 ILE CA C 13 58.46 0.2 . 1 . . . . 79 ILE CA . 15198 1 556 . 1 1 79 79 ILE CB C 13 38.22 0.2 . 1 . . . . 79 ILE CB . 15198 1 557 . 1 1 79 79 ILE N N 15 123.96 0.1 . 1 . . . . 79 ILE N . 15198 1 558 . 1 1 81 81 ALA H H 1 8.494 0.05 . 1 . . . . 81 ALA H . 15198 1 559 . 1 1 81 81 ALA HA H 1 4.262 0.05 . 1 . . . . 81 ALA HA . 15198 1 560 . 1 1 81 81 ALA HB1 H 1 1.456 0.05 . 1 . . . . 81 ALA HB . 15198 1 561 . 1 1 81 81 ALA HB2 H 1 1.456 0.05 . 1 . . . . 81 ALA HB . 15198 1 562 . 1 1 81 81 ALA HB3 H 1 1.456 0.05 . 1 . . . . 81 ALA HB . 15198 1 563 . 1 1 81 81 ALA C C 13 176.16 0.2 . 1 . . . . 81 ALA C . 15198 1 564 . 1 1 81 81 ALA CA C 13 52.96 0.2 . 1 . . . . 81 ALA CA . 15198 1 565 . 1 1 81 81 ALA CB C 13 18.33 0.2 . 1 . . . . 81 ALA CB . 15198 1 566 . 1 1 81 81 ALA N N 15 125.66 0.1 . 1 . . . . 81 ALA N . 15198 1 567 . 1 1 82 82 SER H H 1 8.259 0.05 . 1 . . . . 82 SER H . 15198 1 568 . 1 1 82 82 SER HA H 1 4.366 0.05 . 1 . . . . 82 SER HA . 15198 1 569 . 1 1 82 82 SER HB2 H 1 3.939 0.05 . 2 . . . . 82 SER HB2 . 15198 1 570 . 1 1 82 82 SER C C 13 172.49 0.2 . 1 . . . . 82 SER C . 15198 1 571 . 1 1 82 82 SER CA C 13 58.47 0.2 . 1 . . . . 82 SER CA . 15198 1 572 . 1 1 82 82 SER CB C 13 63.2 0.2 . 1 . . . . 82 SER CB . 15198 1 573 . 1 1 82 82 SER N N 15 114.97 0.1 . 1 . . . . 82 SER N . 15198 1 574 . 1 1 83 83 ALA H H 1 8.232 0.05 . 1 . . . . 83 ALA H . 15198 1 575 . 1 1 83 83 ALA HA H 1 4.374 0.05 . 1 . . . . 83 ALA HA . 15198 1 576 . 1 1 83 83 ALA HB1 H 1 1.433 0.05 . 1 . . . . 83 ALA HB . 15198 1 577 . 1 1 83 83 ALA HB2 H 1 1.433 0.05 . 1 . . . . 83 ALA HB . 15198 1 578 . 1 1 83 83 ALA HB3 H 1 1.433 0.05 . 1 . . . . 83 ALA HB . 15198 1 579 . 1 1 83 83 ALA C C 13 175.55 0.2 . 1 . . . . 83 ALA C . 15198 1 580 . 1 1 83 83 ALA CA C 13 52.41 0.2 . 1 . . . . 83 ALA CA . 15198 1 581 . 1 1 83 83 ALA CB C 13 18.58 0.2 . 1 . . . . 83 ALA CB . 15198 1 582 . 1 1 83 83 ALA N N 15 126.97 0.1 . 1 . . . . 83 ALA N . 15198 1 583 . 1 1 84 84 LEU H H 1 7.979 0.05 . 1 . . . . 84 LEU H . 15198 1 584 . 1 1 84 84 LEU HA H 1 4.339 0.05 . 1 . . . . 84 LEU HA . 15198 1 585 . 1 1 84 84 LEU HB2 H 1 1.645 0.05 . 2 . . . . 84 LEU HB2 . 15198 1 586 . 1 1 84 84 LEU C C 13 175.22 0.2 . 1 . . . . 84 LEU C . 15198 1 587 . 1 1 84 84 LEU CA C 13 55.17 0.2 . 1 . . . . 84 LEU CA . 15198 1 588 . 1 1 84 84 LEU CB C 13 41.77 0.2 . 1 . . . . 84 LEU CB . 15198 1 589 . 1 1 84 84 LEU N N 15 121.5 0.1 . 1 . . . . 84 LEU N . 15198 1 590 . 1 1 85 85 LEU H H 1 8.043 0.05 . 1 . . . . 85 LEU H . 15198 1 591 . 1 1 85 85 LEU HA H 1 4.42 0.05 . 1 . . . . 85 LEU HA . 15198 1 592 . 1 1 85 85 LEU HB2 H 1 1.67 0.05 . 2 . . . . 85 LEU HB2 . 15198 1 593 . 1 1 85 85 LEU C C 13 175.39 0.2 . 1 . . . . 85 LEU C . 15198 1 594 . 1 1 85 85 LEU CA C 13 55.09 0.2 . 1 . . . . 85 LEU CA . 15198 1 595 . 1 1 85 85 LEU CB C 13 41.83 0.2 . 1 . . . . 85 LEU CB . 15198 1 596 . 1 1 85 85 LEU N N 15 123.18 0.1 . 1 . . . . 85 LEU N . 15198 1 597 . 1 1 86 86 SER H H 1 8.232 0.05 . 1 . . . . 86 SER H . 15198 1 598 . 1 1 86 86 SER HA H 1 4.448 0.05 . 1 . . . . 86 SER HA . 15198 1 599 . 1 1 86 86 SER HB2 H 1 3.945 0.05 . 2 . . . . 86 SER HB2 . 15198 1 600 . 1 1 86 86 SER C C 13 172.5 0.2 . 1 . . . . 86 SER C . 15198 1 601 . 1 1 86 86 SER CA C 13 58.49 0.2 . 1 . . . . 86 SER CA . 15198 1 602 . 1 1 86 86 SER CB C 13 63.36 0.2 . 1 . . . . 86 SER CB . 15198 1 603 . 1 1 86 86 SER N N 15 117.14 0.1 . 1 . . . . 86 SER N . 15198 1 604 . 1 1 87 87 SER H H 1 8.271 0.05 . 1 . . . . 87 SER H . 15198 1 605 . 1 1 87 87 SER HA H 1 4.489 0.05 . 1 . . . . 87 SER HA . 15198 1 606 . 1 1 87 87 SER HB2 H 1 3.953 0.05 . 2 . . . . 87 SER HB2 . 15198 1 607 . 1 1 87 87 SER C C 13 172.1 0.2 . 1 . . . . 87 SER C . 15198 1 608 . 1 1 87 87 SER CA C 13 58.47 0.2 . 1 . . . . 87 SER CA . 15198 1 609 . 1 1 87 87 SER CB C 13 63.39 0.2 . 1 . . . . 87 SER CB . 15198 1 610 . 1 1 87 87 SER N N 15 118.36 0.1 . 1 . . . . 87 SER N . 15198 1 611 . 1 1 88 88 ASP H H 1 8.403 0.05 . 1 . . . . 88 ASP H . 15198 1 612 . 1 1 88 88 ASP HA H 1 4.798 0.05 . 1 . . . . 88 ASP HA . 15198 1 613 . 1 1 88 88 ASP HB2 H 1 2.971 0.05 . 2 . . . . 88 ASP HB2 . 15198 1 614 . 1 1 88 88 ASP C C 13 172.92 0.2 . 1 . . . . 88 ASP C . 15198 1 615 . 1 1 88 88 ASP CA C 13 52.8 0.2 . 1 . . . . 88 ASP CA . 15198 1 616 . 1 1 88 88 ASP CB C 13 37.37 0.2 . 1 . . . . 88 ASP CB . 15198 1 617 . 1 1 88 88 ASP N N 15 121.99 0.1 . 1 . . . . 88 ASP N . 15198 1 618 . 1 1 89 89 ILE H H 1 8.082 0.05 . 1 . . . . 89 ILE H . 15198 1 619 . 1 1 89 89 ILE HA H 1 4.234 0.05 . 1 . . . . 89 ILE HA . 15198 1 620 . 1 1 89 89 ILE HB H 1 1.969 0.05 . 1 . . . . 89 ILE HB . 15198 1 621 . 1 1 89 89 ILE C C 13 174.3 0.2 . 1 . . . . 89 ILE C . 15198 1 622 . 1 1 89 89 ILE CA C 13 61.56 0.2 . 1 . . . . 89 ILE CA . 15198 1 623 . 1 1 89 89 ILE CB C 13 37.96 0.2 . 1 . . . . 89 ILE CB . 15198 1 624 . 1 1 89 89 ILE N N 15 122.49 0.1 . 1 . . . . 89 ILE N . 15198 1 625 . 1 1 90 90 THR H H 1 8.168 0.05 . 1 . . . . 90 THR H . 15198 1 626 . 1 1 90 90 THR HA H 1 4.297 0.05 . 1 . . . . 90 THR HA . 15198 1 627 . 1 1 90 90 THR HB H 1 4.27 0.05 . 1 . . . . 90 THR HB . 15198 1 628 . 1 1 90 90 THR C C 13 172.06 0.2 . 1 . . . . 90 THR C . 15198 1 629 . 1 1 90 90 THR CA C 13 61.86 0.2 . 1 . . . . 90 THR CA . 15198 1 630 . 1 1 90 90 THR CB C 13 69.34 0.2 . 1 . . . . 90 THR CB . 15198 1 631 . 1 1 90 90 THR N N 15 119.2 0.1 . 1 . . . . 90 THR N . 15198 1 632 . 1 1 91 91 ALA H H 1 8.262 0.05 . 1 . . . . 91 ALA H . 15198 1 633 . 1 1 91 91 ALA HA H 1 4.374 0.05 . 1 . . . . 91 ALA HA . 15198 1 634 . 1 1 91 91 ALA HB1 H 1 1.456 0.05 . 1 . . . . 91 ALA HB . 15198 1 635 . 1 1 91 91 ALA HB2 H 1 1.456 0.05 . 1 . . . . 91 ALA HB . 15198 1 636 . 1 1 91 91 ALA HB3 H 1 1.456 0.05 . 1 . . . . 91 ALA HB . 15198 1 637 . 1 1 91 91 ALA C C 13 175.7 0.2 . 1 . . . . 91 ALA C . 15198 1 638 . 1 1 91 91 ALA CA C 13 52.5 0.2 . 1 . . . . 91 ALA CA . 15198 1 639 . 1 1 91 91 ALA CB C 13 18.64 0.2 . 1 . . . . 91 ALA CB . 15198 1 640 . 1 1 91 91 ALA N N 15 127.34 0.1 . 1 . . . . 91 ALA N . 15198 1 641 . 1 1 92 92 SER H H 1 8.28 0.05 . 1 . . . . 92 SER H . 15198 1 642 . 1 1 92 92 SER HA H 1 4.475 0.05 . 1 . . . . 92 SER HA . 15198 1 643 . 1 1 92 92 SER HB2 H 1 3.93 0.05 . 2 . . . . 92 SER HB2 . 15198 1 644 . 1 1 92 92 SER C C 13 172.78 0.2 . 1 . . . . 92 SER C . 15198 1 645 . 1 1 92 92 SER CA C 13 58.45 0.2 . 1 . . . . 92 SER CA . 15198 1 646 . 1 1 92 92 SER CB C 13 63.36 0.2 . 1 . . . . 92 SER CB . 15198 1 647 . 1 1 92 92 SER N N 15 116.55 0.1 . 1 . . . . 92 SER N . 15198 1 648 . 1 1 93 93 VAL H H 1 8.178 0.05 . 1 . . . . 93 VAL H . 15198 1 649 . 1 1 93 93 VAL HA H 1 4.116 0.05 . 1 . . . . 93 VAL HA . 15198 1 650 . 1 1 93 93 VAL HB H 1 2.136 0.05 . 1 . . . . 93 VAL HB . 15198 1 651 . 1 1 93 93 VAL C C 13 173.98 0.2 . 1 . . . . 93 VAL C . 15198 1 652 . 1 1 93 93 VAL CA C 13 62.73 0.2 . 1 . . . . 93 VAL CA . 15198 1 653 . 1 1 93 93 VAL CB C 13 32.04 0.2 . 1 . . . . 93 VAL CB . 15198 1 654 . 1 1 93 93 VAL N N 15 123.21 0.1 . 1 . . . . 93 VAL N . 15198 1 655 . 1 1 94 94 ASN H H 1 8.426 0.05 . 1 . . . . 94 ASN H . 15198 1 656 . 1 1 94 94 ASN HA H 1 4.714 0.05 . 1 . . . . 94 ASN HA . 15198 1 657 . 1 1 94 94 ASN HB2 H 1 2.887 0.05 . 2 . . . . 94 ASN HB2 . 15198 1 658 . 1 1 94 94 ASN HB3 H 1 2.78 0.05 . 2 . . . . 94 ASN HB3 . 15198 1 659 . 1 1 94 94 ASN C C 13 173.02 0.2 . 1 . . . . 94 ASN C . 15198 1 660 . 1 1 94 94 ASN CA C 13 53.23 0.2 . 1 . . . . 94 ASN CA . 15198 1 661 . 1 1 94 94 ASN CB C 13 38.28 0.2 . 1 . . . . 94 ASN CB . 15198 1 662 . 1 1 94 94 ASN N N 15 122.59 0.1 . 1 . . . . 94 ASN N . 15198 1 663 . 1 1 95 95 ALA H H 1 8.207 0.05 . 1 . . . . 95 ALA H . 15198 1 664 . 1 1 95 95 ALA HA H 1 4.285 0.05 . 1 . . . . 95 ALA HA . 15198 1 665 . 1 1 95 95 ALA HB1 H 1 1.45 0.05 . 1 . . . . 95 ALA HB . 15198 1 666 . 1 1 95 95 ALA HB2 H 1 1.45 0.05 . 1 . . . . 95 ALA HB . 15198 1 667 . 1 1 95 95 ALA HB3 H 1 1.45 0.05 . 1 . . . . 95 ALA HB . 15198 1 668 . 1 1 95 95 ALA C C 13 175.4 0.2 . 1 . . . . 95 ALA C . 15198 1 669 . 1 1 95 95 ALA CA C 13 52.54 0.2 . 1 . . . . 95 ALA CA . 15198 1 670 . 1 1 95 95 ALA CB C 13 18.54 0.2 . 1 . . . . 95 ALA CB . 15198 1 671 . 1 1 95 95 ALA N N 15 125.74 0.1 . 1 . . . . 95 ALA N . 15198 1 672 . 1 1 96 96 ALA H H 1 8.149 0.05 . 1 . . . . 96 ALA H . 15198 1 673 . 1 1 96 96 ALA HA H 1 4.299 0.05 . 1 . . . . 96 ALA HA . 15198 1 674 . 1 1 96 96 ALA HB1 H 1 1.442 0.05 . 1 . . . . 96 ALA HB . 15198 1 675 . 1 1 96 96 ALA HB2 H 1 1.442 0.05 . 1 . . . . 96 ALA HB . 15198 1 676 . 1 1 96 96 ALA HB3 H 1 1.442 0.05 . 1 . . . . 96 ALA HB . 15198 1 677 . 1 1 96 96 ALA C C 13 175.61 0.2 . 1 . . . . 96 ALA C . 15198 1 678 . 1 1 96 96 ALA CA C 13 52.4 0.2 . 1 . . . . 96 ALA CA . 15198 1 679 . 1 1 96 96 ALA CB C 13 18.49 0.2 . 1 . . . . 96 ALA CB . 15198 1 680 . 1 1 96 96 ALA N N 15 123.6 0.1 . 1 . . . . 96 ALA N . 15198 1 681 . 1 1 97 97 LYS H H 1 8.105 0.05 . 1 . . . . 97 LYS H . 15198 1 682 . 1 1 97 97 LYS HA H 1 4.29 0.05 . 1 . . . . 97 LYS HA . 15198 1 683 . 1 1 97 97 LYS HB2 H 1 1.843 0.05 . 2 . . . . 97 LYS HB2 . 15198 1 684 . 1 1 97 97 LYS C C 13 174.18 0.2 . 1 . . . . 97 LYS C . 15198 1 685 . 1 1 97 97 LYS CA C 13 56.04 0.2 . 1 . . . . 97 LYS CA . 15198 1 686 . 1 1 97 97 LYS CB C 13 32.52 0.2 . 1 . . . . 97 LYS CB . 15198 1 687 . 1 1 97 97 LYS N N 15 121.23 0.1 . 1 . . . . 97 LYS N . 15198 1 688 . 1 1 98 98 LYS H H 1 8.214 0.05 . 1 . . . . 98 LYS H . 15198 1 689 . 1 1 98 98 LYS HA H 1 4.341 0.05 . 1 . . . . 98 LYS HA . 15198 1 690 . 1 1 98 98 LYS HB2 H 1 1.806 0.05 . 2 . . . . 98 LYS HB2 . 15198 1 691 . 1 1 98 98 LYS C C 13 173.96 0.2 . 1 . . . . 98 LYS C . 15198 1 692 . 1 1 98 98 LYS CA C 13 55.98 0.2 . 1 . . . . 98 LYS CA . 15198 1 693 . 1 1 98 98 LYS CB C 13 32.49 0.2 . 1 . . . . 98 LYS CB . 15198 1 694 . 1 1 98 98 LYS N N 15 123.85 0.1 . 1 . . . . 98 LYS N . 15198 1 695 . 1 1 99 99 ILE H H 1 8.226 0.05 . 1 . . . . 99 ILE H . 15198 1 696 . 1 1 99 99 ILE HA H 1 4.204 0.05 . 1 . . . . 99 ILE HA . 15198 1 697 . 1 1 99 99 ILE HB H 1 1.891 0.05 . 1 . . . . 99 ILE HB . 15198 1 698 . 1 1 99 99 ILE C C 13 173.96 0.2 . 1 . . . . 99 ILE C . 15198 1 699 . 1 1 99 99 ILE CA C 13 60.74 0.2 . 1 . . . . 99 ILE CA . 15198 1 700 . 1 1 99 99 ILE CB C 13 38.09 0.2 . 1 . . . . 99 ILE CB . 15198 1 701 . 1 1 99 99 ILE N N 15 124.42 0.1 . 1 . . . . 99 ILE N . 15198 1 702 . 1 1 100 100 VAL H H 1 8.323 0.05 . 1 . . . . 100 VAL H . 15198 1 703 . 1 1 100 100 VAL HA H 1 4.201 0.05 . 1 . . . . 100 VAL HA . 15198 1 704 . 1 1 100 100 VAL HB H 1 2.096 0.05 . 1 . . . . 100 VAL HB . 15198 1 705 . 1 1 100 100 VAL C C 13 173.7 0.2 . 1 . . . . 100 VAL C . 15198 1 706 . 1 1 100 100 VAL CA C 13 61.89 0.2 . 1 . . . . 100 VAL CA . 15198 1 707 . 1 1 100 100 VAL CB C 13 32.33 0.2 . 1 . . . . 100 VAL CB . 15198 1 708 . 1 1 100 100 VAL N N 15 126.35 0.1 . 1 . . . . 100 VAL N . 15198 1 709 . 1 1 101 101 SER H H 1 8.457 0.05 . 1 . . . . 101 SER H . 15198 1 710 . 1 1 101 101 SER HA H 1 4.534 0.05 . 1 . . . . 101 SER HA . 15198 1 711 . 1 1 101 101 SER HB2 H 1 3.898 0.05 . 2 . . . . 101 SER HB2 . 15198 1 712 . 1 1 101 101 SER C C 13 171.99 0.2 . 1 . . . . 101 SER C . 15198 1 713 . 1 1 101 101 SER CA C 13 57.82 0.2 . 1 . . . . 101 SER CA . 15198 1 714 . 1 1 101 101 SER CB C 13 63.54 0.2 . 1 . . . . 101 SER CB . 15198 1 715 . 1 1 101 101 SER N N 15 120.92 0.1 . 1 . . . . 101 SER N . 15198 1 716 . 1 1 102 102 ASP H H 1 8.583 0.05 . 1 . . . . 102 ASP H . 15198 1 717 . 1 1 102 102 ASP HA H 1 4.83 0.05 . 1 . . . . 102 ASP HA . 15198 1 718 . 1 1 102 102 ASP HB2 H 1 2.962 0.05 . 2 . . . . 102 ASP HB2 . 15198 1 719 . 1 1 102 102 ASP C C 13 173.27 0.2 . 1 . . . . 102 ASP C . 15198 1 720 . 1 1 102 102 ASP CA C 13 52.48 0.2 . 1 . . . . 102 ASP CA . 15198 1 721 . 1 1 102 102 ASP CB C 13 37.5 0.2 . 1 . . . . 102 ASP CB . 15198 1 722 . 1 1 102 102 ASP N N 15 122.59 0.1 . 1 . . . . 102 ASP N . 15198 1 723 . 1 1 103 103 GLY H H 1 8.412 0.05 . 1 . . . . 103 GLY H . 15198 1 724 . 1 1 103 103 GLY HA2 H 1 4.01 0.05 . 2 . . . . 103 GLY HA . 15198 1 725 . 1 1 103 103 GLY HA3 H 1 4.01 0.05 . 2 . . . . 103 GLY HA . 15198 1 726 . 1 1 103 103 GLY C C 13 171.71 0.2 . 1 . . . . 103 GLY C . 15198 1 727 . 1 1 103 103 GLY CA C 13 45.23 0.2 . 1 . . . . 103 GLY CA . 15198 1 728 . 1 1 103 103 GLY N N 15 110.46 0.1 . 1 . . . . 103 GLY N . 15198 1 729 . 1 1 104 104 ASN H H 1 8.359 0.05 . 1 . . . . 104 ASN H . 15198 1 730 . 1 1 104 104 ASN HA H 1 4.766 0.05 . 1 . . . . 104 ASN HA . 15198 1 731 . 1 1 104 104 ASN HB2 H 1 2.876 0.05 . 2 . . . . 104 ASN HB2 . 15198 1 732 . 1 1 104 104 ASN C C 13 173.66 0.2 . 1 . . . . 104 ASN C . 15198 1 733 . 1 1 104 104 ASN CA C 13 52.98 0.2 . 1 . . . . 104 ASN CA . 15198 1 734 . 1 1 104 104 ASN CB C 13 38.42 0.2 . 1 . . . . 104 ASN CB . 15198 1 735 . 1 1 104 104 ASN N N 15 119.71 0.1 . 1 . . . . 104 ASN N . 15198 1 736 . 1 1 105 105 GLY H H 1 8.479 0.05 . 1 . . . . 105 GLY H . 15198 1 737 . 1 1 105 105 GLY HA2 H 1 3.996 0.05 . 2 . . . . 105 GLY HA . 15198 1 738 . 1 1 105 105 GLY HA3 H 1 3.996 0.05 . 2 . . . . 105 GLY HA . 15198 1 739 . 1 1 105 105 GLY C C 13 172.26 0.2 . 1 . . . . 105 GLY C . 15198 1 740 . 1 1 105 105 GLY CA C 13 45.16 0.2 . 1 . . . . 105 GLY CA . 15198 1 741 . 1 1 105 105 GLY N N 15 110.41 0.1 . 1 . . . . 105 GLY N . 15198 1 742 . 1 1 106 106 MET H H 1 8.216 0.05 . 1 . . . . 106 MET H . 15198 1 743 . 1 1 106 106 MET HA H 1 4.467 0.05 . 1 . . . . 106 MET HA . 15198 1 744 . 1 1 106 106 MET HB2 H 1 2.071 0.05 . 2 . . . . 106 MET HB2 . 15198 1 745 . 1 1 106 106 MET C C 13 174.03 0.2 . 1 . . . . 106 MET C . 15198 1 746 . 1 1 106 106 MET CA C 13 55.53 0.2 . 1 . . . . 106 MET CA . 15198 1 747 . 1 1 106 106 MET CB C 13 31.99 0.2 . 1 . . . . 106 MET CB . 15198 1 748 . 1 1 106 106 MET N N 15 120.99 0.1 . 1 . . . . 106 MET N . 15198 1 749 . 1 1 107 107 ASN H H 1 8.408 0.05 . 1 . . . . 107 ASN H . 15198 1 750 . 1 1 107 107 ASN HA H 1 4.644 0.05 . 1 . . . . 107 ASN HA . 15198 1 751 . 1 1 107 107 ASN HB2 H 1 2.766 0.05 . 2 . . . . 107 ASN HB2 . 15198 1 752 . 1 1 107 107 ASN C C 13 173.15 0.2 . 1 . . . . 107 ASN C . 15198 1 753 . 1 1 107 107 ASN CA C 13 53.53 0.2 . 1 . . . . 107 ASN CA . 15198 1 754 . 1 1 107 107 ASN CB C 13 38.09 0.2 . 1 . . . . 107 ASN CB . 15198 1 755 . 1 1 107 107 ASN N N 15 120.43 0.1 . 1 . . . . 107 ASN N . 15198 1 756 . 1 1 108 108 ALA H H 1 8.213 0.05 . 1 . . . . 108 ALA H . 15198 1 757 . 1 1 108 108 ALA HA H 1 4.248 0.05 . 1 . . . . 108 ALA HA . 15198 1 758 . 1 1 108 108 ALA HB1 H 1 1.377 0.05 . 1 . . . . 108 ALA HB . 15198 1 759 . 1 1 108 108 ALA HB2 H 1 1.377 0.05 . 1 . . . . 108 ALA HB . 15198 1 760 . 1 1 108 108 ALA HB3 H 1 1.377 0.05 . 1 . . . . 108 ALA HB . 15198 1 761 . 1 1 108 108 ALA C C 13 175.61 0.2 . 1 . . . . 108 ALA C . 15198 1 762 . 1 1 108 108 ALA CA C 13 53.26 0.2 . 1 . . . . 108 ALA CA . 15198 1 763 . 1 1 108 108 ALA CB C 13 18.31 0.2 . 1 . . . . 108 ALA CB . 15198 1 764 . 1 1 108 108 ALA N N 15 124.94 0.1 . 1 . . . . 108 ALA N . 15198 1 765 . 1 1 109 109 TRP H H 1 8.049 0.05 . 1 . . . . 109 TRP H . 15198 1 766 . 1 1 109 109 TRP HA H 1 4.583 0.05 . 1 . . . . 109 TRP HA . 15198 1 767 . 1 1 109 109 TRP HB2 H 1 3.325 0.05 . 2 . . . . 109 TRP HB2 . 15198 1 768 . 1 1 109 109 TRP C C 13 174.43 0.2 . 1 . . . . 109 TRP C . 15198 1 769 . 1 1 109 109 TRP CA C 13 58.15 0.2 . 1 . . . . 109 TRP CA . 15198 1 770 . 1 1 109 109 TRP CB C 13 28.69 0.2 . 1 . . . . 109 TRP CB . 15198 1 771 . 1 1 109 109 TRP N N 15 120.93 0.1 . 1 . . . . 109 TRP N . 15198 1 772 . 1 1 110 110 VAL H H 1 7.768 0.05 . 1 . . . . 110 VAL H . 15198 1 773 . 1 1 110 110 VAL HA H 1 3.782 0.05 . 1 . . . . 110 VAL HA . 15198 1 774 . 1 1 110 110 VAL HB H 1 1.927 0.05 . 1 . . . . 110 VAL HB . 15198 1 775 . 1 1 110 110 VAL C C 13 174.01 0.2 . 1 . . . . 110 VAL C . 15198 1 776 . 1 1 110 110 VAL CA C 13 63.21 0.2 . 1 . . . . 110 VAL CA . 15198 1 777 . 1 1 110 110 VAL CB C 13 32.13 0.2 . 1 . . . . 110 VAL CB . 15198 1 778 . 1 1 110 110 VAL N N 15 122.35 0.1 . 1 . . . . 110 VAL N . 15198 1 779 . 1 1 111 111 ALA H H 1 8.033 0.05 . 1 . . . . 111 ALA H . 15198 1 780 . 1 1 111 111 ALA HA H 1 4.13 0.05 . 1 . . . . 111 ALA HA . 15198 1 781 . 1 1 111 111 ALA HB1 H 1 1.413 0.05 . 1 . . . . 111 ALA HB . 15198 1 782 . 1 1 111 111 ALA HB2 H 1 1.413 0.05 . 1 . . . . 111 ALA HB . 15198 1 783 . 1 1 111 111 ALA HB3 H 1 1.413 0.05 . 1 . . . . 111 ALA HB . 15198 1 784 . 1 1 111 111 ALA C C 13 176.25 0.2 . 1 . . . . 111 ALA C . 15198 1 785 . 1 1 111 111 ALA CA C 13 53.24 0.2 . 1 . . . . 111 ALA CA . 15198 1 786 . 1 1 111 111 ALA CB C 13 18.13 0.2 . 1 . . . . 111 ALA CB . 15198 1 787 . 1 1 111 111 ALA N N 15 125.82 0.1 . 1 . . . . 111 ALA N . 15198 1 788 . 1 1 112 112 TRP H H 1 7.905 0.05 . 1 . . . . 112 TRP H . 15198 1 789 . 1 1 112 112 TRP HA H 1 4.481 0.05 . 1 . . . . 112 TRP HA . 15198 1 790 . 1 1 112 112 TRP HB2 H 1 3.339 0.05 . 2 . . . . 112 TRP HB2 . 15198 1 791 . 1 1 112 112 TRP C C 13 174.82 0.2 . 1 . . . . 112 TRP C . 15198 1 792 . 1 1 112 112 TRP CA C 13 58.17 0.2 . 1 . . . . 112 TRP CA . 15198 1 793 . 1 1 112 112 TRP CB C 13 28.54 0.2 . 1 . . . . 112 TRP CB . 15198 1 794 . 1 1 112 112 TRP N N 15 120.32 0.1 . 1 . . . . 112 TRP N . 15198 1 795 . 1 1 113 113 ARG H H 1 7.972 0.05 . 1 . . . . 113 ARG H . 15198 1 796 . 1 1 113 113 ARG HA H 1 3.959 0.05 . 1 . . . . 113 ARG HA . 15198 1 797 . 1 1 113 113 ARG HB2 H 1 1.684 0.05 . 2 . . . . 113 ARG HB2 . 15198 1 798 . 1 1 113 113 ARG HB3 H 1 1.545 0.05 . 2 . . . . 113 ARG HB3 . 15198 1 799 . 1 1 113 113 ARG C C 13 174.13 0.2 . 1 . . . . 113 ARG C . 15198 1 800 . 1 1 113 113 ARG CA C 13 56.84 0.2 . 1 . . . . 113 ARG CA . 15198 1 801 . 1 1 113 113 ARG CB C 13 29.72 0.2 . 1 . . . . 113 ARG CB . 15198 1 802 . 1 1 113 113 ARG N N 15 122.18 0.1 . 1 . . . . 113 ARG N . 15198 1 803 . 1 1 114 114 ASN H H 1 8.095 0.05 . 1 . . . . 114 ASN H . 15198 1 804 . 1 1 114 114 ASN HA H 1 4.625 0.05 . 1 . . . . 114 ASN HA . 15198 1 805 . 1 1 114 114 ASN HB2 H 1 2.887 0.05 . 2 . . . . 114 ASN HB2 . 15198 1 806 . 1 1 114 114 ASN HB3 H 1 2.71 0.05 . 2 . . . . 114 ASN HB3 . 15198 1 807 . 1 1 114 114 ASN C C 13 173.06 0.2 . 1 . . . . 114 ASN C . 15198 1 808 . 1 1 114 114 ASN CA C 13 53.27 0.2 . 1 . . . . 114 ASN CA . 15198 1 809 . 1 1 114 114 ASN CB C 13 38.15 0.2 . 1 . . . . 114 ASN CB . 15198 1 810 . 1 1 114 114 ASN N N 15 119.17 0.1 . 1 . . . . 114 ASN N . 15198 1 811 . 1 1 115 115 ARG H H 1 7.909 0.05 . 1 . . . . 115 ARG H . 15198 1 812 . 1 1 115 115 ARG HA H 1 4.238 0.05 . 1 . . . . 115 ARG HA . 15198 1 813 . 1 1 115 115 ARG HB2 H 1 1.931 0.05 . 2 . . . . 115 ARG HB2 . 15198 1 814 . 1 1 115 115 ARG C C 13 173.78 0.2 . 1 . . . . 115 ARG C . 15198 1 815 . 1 1 115 115 ARG CA C 13 56.24 0.2 . 1 . . . . 115 ARG CA . 15198 1 816 . 1 1 115 115 ARG CB C 13 29.97 0.2 . 1 . . . . 115 ARG CB . 15198 1 817 . 1 1 115 115 ARG N N 15 122.14 0.1 . 1 . . . . 115 ARG N . 15198 1 818 . 1 1 116 116 ALA H H 1 8.183 0.05 . 1 . . . . 116 ALA H . 15198 1 819 . 1 1 116 116 ALA HA H 1 4.276 0.05 . 1 . . . . 116 ALA HA . 15198 1 820 . 1 1 116 116 ALA HB1 H 1 1.368 0.05 . 1 . . . . 116 ALA HB . 15198 1 821 . 1 1 116 116 ALA HB2 H 1 1.368 0.05 . 1 . . . . 116 ALA HB . 15198 1 822 . 1 1 116 116 ALA HB3 H 1 1.368 0.05 . 1 . . . . 116 ALA HB . 15198 1 823 . 1 1 116 116 ALA C C 13 175.47 0.2 . 1 . . . . 116 ALA C . 15198 1 824 . 1 1 116 116 ALA CA C 13 52.36 0.2 . 1 . . . . 116 ALA CA . 15198 1 825 . 1 1 116 116 ALA CB C 13 18.52 0.2 . 1 . . . . 116 ALA CB . 15198 1 826 . 1 1 116 116 ALA N N 15 125.59 0.1 . 1 . . . . 116 ALA N . 15198 1 827 . 1 1 117 117 LYS H H 1 8.224 0.05 . 1 . . . . 117 LYS H . 15198 1 828 . 1 1 117 117 LYS HA H 1 4.285 0.05 . 1 . . . . 117 LYS HA . 15198 1 829 . 1 1 117 117 LYS HB2 H 1 1.858 0.05 . 2 . . . . 117 LYS HB2 . 15198 1 830 . 1 1 117 117 LYS C C 13 174.87 0.2 . 1 . . . . 117 LYS C . 15198 1 831 . 1 1 117 117 LYS CA C 13 56.35 0.2 . 1 . . . . 117 LYS CA . 15198 1 832 . 1 1 117 117 LYS CB C 13 32.45 0.2 . 1 . . . . 117 LYS CB . 15198 1 833 . 1 1 117 117 LYS N N 15 121.58 0.1 . 1 . . . . 117 LYS N . 15198 1 834 . 1 1 118 118 GLY H H 1 8.376 0.05 . 1 . . . . 118 GLY H . 15198 1 835 . 1 1 118 118 GLY HA2 H 1 4.047 0.05 . 2 . . . . 118 GLY HA . 15198 1 836 . 1 1 118 118 GLY HA3 H 1 4.047 0.05 . 2 . . . . 118 GLY HA . 15198 1 837 . 1 1 118 118 GLY C C 13 171.93 0.2 . 1 . . . . 118 GLY C . 15198 1 838 . 1 1 118 118 GLY CA C 13 44.95 0.2 . 1 . . . . 118 GLY CA . 15198 1 839 . 1 1 118 118 GLY N N 15 110.91 0.1 . 1 . . . . 118 GLY N . 15198 1 840 . 1 1 119 119 THR H H 1 8.067 0.05 . 1 . . . . 119 THR H . 15198 1 841 . 1 1 119 119 THR HA H 1 4.389 0.05 . 1 . . . . 119 THR HA . 15198 1 842 . 1 1 119 119 THR HB H 1 4.266 0.05 . 1 . . . . 119 THR HB . 15198 1 843 . 1 1 119 119 THR C C 13 172.03 0.2 . 1 . . . . 119 THR C . 15198 1 844 . 1 1 119 119 THR CA C 13 61.61 0.2 . 1 . . . . 119 THR CA . 15198 1 845 . 1 1 119 119 THR CB C 13 69.55 0.2 . 1 . . . . 119 THR CB . 15198 1 846 . 1 1 119 119 THR N N 15 114.32 0.1 . 1 . . . . 119 THR N . 15198 1 847 . 1 1 120 120 ASP H H 1 8.573 0.05 . 1 . . . . 120 ASP H . 15198 1 848 . 1 1 120 120 ASP HA H 1 4.798 0.05 . 1 . . . . 120 ASP HA . 15198 1 849 . 1 1 120 120 ASP HB2 H 1 2.887 0.05 . 2 . . . . 120 ASP HB2 . 15198 1 850 . 1 1 120 120 ASP C C 13 172.73 0.2 . 1 . . . . 120 ASP C . 15198 1 851 . 1 1 120 120 ASP CA C 13 52.48 0.2 . 1 . . . . 120 ASP CA . 15198 1 852 . 1 1 120 120 ASP CB C 13 37.51 0.2 . 1 . . . . 120 ASP CB . 15198 1 853 . 1 1 120 120 ASP N N 15 122.63 0.1 . 1 . . . . 120 ASP N . 15198 1 854 . 1 1 121 121 VAL H H 1 8.104 0.05 . 1 . . . . 121 VAL H . 15198 1 855 . 1 1 121 121 VAL HA H 1 4.015 0.05 . 1 . . . . 121 VAL HA . 15198 1 856 . 1 1 121 121 VAL HB H 1 2.067 0.05 . 1 . . . . 121 VAL HB . 15198 1 857 . 1 1 121 121 VAL C C 13 173.92 0.2 . 1 . . . . 121 VAL C . 15198 1 858 . 1 1 121 121 VAL CA C 13 62.57 0.2 . 1 . . . . 121 VAL CA . 15198 1 859 . 1 1 121 121 VAL CB C 13 31.98 0.2 . 1 . . . . 121 VAL CB . 15198 1 860 . 1 1 121 121 VAL N N 15 122.04 0.1 . 1 . . . . 121 VAL N . 15198 1 861 . 1 1 122 122 GLN H H 1 8.367 0.05 . 1 . . . . 122 GLN H . 15198 1 862 . 1 1 122 122 GLN C C 13 173.49 0.2 . 1 . . . . 122 GLN C . 15198 1 863 . 1 1 122 122 GLN CA C 13 55.76 0.2 . 1 . . . . 122 GLN CA . 15198 1 864 . 1 1 122 122 GLN CB C 13 28.47 0.2 . 1 . . . . 122 GLN CB . 15198 1 865 . 1 1 122 122 GLN N N 15 124.49 0.1 . 1 . . . . 122 GLN N . 15198 1 866 . 1 1 124 124 TRP H H 1 7.995 0.05 . 1 . . . . 124 TRP H . 15198 1 867 . 1 1 124 124 TRP HA H 1 4.677 0.05 . 1 . . . . 124 TRP HA . 15198 1 868 . 1 1 124 124 TRP HB2 H 1 3.274 0.05 . 2 . . . . 124 TRP HB2 . 15198 1 869 . 1 1 124 124 TRP C C 13 173.88 0.2 . 1 . . . . 124 TRP C . 15198 1 870 . 1 1 124 124 TRP CA C 13 57 0.2 . 1 . . . . 124 TRP CA . 15198 1 871 . 1 1 124 124 TRP CB C 13 28.87 0.2 . 1 . . . . 124 TRP CB . 15198 1 872 . 1 1 124 124 TRP N N 15 120.96 0.1 . 1 . . . . 124 TRP N . 15198 1 873 . 1 1 125 125 ILE H H 1 7.879 0.05 . 1 . . . . 125 ILE H . 15198 1 874 . 1 1 125 125 ILE HA H 1 4.042 0.05 . 1 . . . . 125 ILE HA . 15198 1 875 . 1 1 125 125 ILE HB H 1 1.772 0.05 . 1 . . . . 125 ILE HB . 15198 1 876 . 1 1 125 125 ILE C C 13 173.52 0.2 . 1 . . . . 125 ILE C . 15198 1 877 . 1 1 125 125 ILE CA C 13 60.91 0.2 . 1 . . . . 125 ILE CA . 15198 1 878 . 1 1 125 125 ILE CB C 13 38.22 0.2 . 1 . . . . 125 ILE CB . 15198 1 879 . 1 1 125 125 ILE N N 15 124.16 0.1 . 1 . . . . 125 ILE N . 15198 1 880 . 1 1 126 126 ARG H H 1 8.191 0.05 . 1 . . . . 126 ARG H . 15198 1 881 . 1 1 126 126 ARG HA H 1 4.144 0.05 . 1 . . . . 126 ARG HA . 15198 1 882 . 1 1 126 126 ARG HB2 H 1 1.836 0.05 . 2 . . . . 126 ARG HB2 . 15198 1 883 . 1 1 126 126 ARG HB3 H 1 1.754 0.05 . 2 . . . . 126 ARG HB3 . 15198 1 884 . 1 1 126 126 ARG C C 13 174.43 0.2 . 1 . . . . 126 ARG C . 15198 1 885 . 1 1 126 126 ARG CA C 13 56.29 0.2 . 1 . . . . 126 ARG CA . 15198 1 886 . 1 1 126 126 ARG CB C 13 29.86 0.2 . 1 . . . . 126 ARG CB . 15198 1 887 . 1 1 126 126 ARG N N 15 125.59 0.1 . 1 . . . . 126 ARG N . 15198 1 888 . 1 1 127 127 GLY H H 1 8.327 0.05 . 1 . . . . 127 GLY H . 15198 1 889 . 1 1 127 127 GLY HA2 H 1 3.968 0.05 . 2 . . . . 127 GLY HA . 15198 1 890 . 1 1 127 127 GLY HA3 H 1 3.968 0.05 . 2 . . . . 127 GLY HA . 15198 1 891 . 1 1 127 127 GLY C C 13 171.32 0.2 . 1 . . . . 127 GLY C . 15198 1 892 . 1 1 127 127 GLY CA C 13 44.79 0.2 . 1 . . . . 127 GLY CA . 15198 1 893 . 1 1 127 127 GLY N N 15 111.2 0.1 . 1 . . . . 127 GLY N . 15198 1 894 . 1 1 128 128 ALA H H 1 8.068 0.05 . 1 . . . . 128 ALA H . 15198 1 895 . 1 1 128 128 ALA HA H 1 4.327 0.05 . 1 . . . . 128 ALA HA . 15198 1 896 . 1 1 128 128 ALA HB1 H 1 1.382 0.05 . 1 . . . . 128 ALA HB . 15198 1 897 . 1 1 128 128 ALA HB2 H 1 1.382 0.05 . 1 . . . . 128 ALA HB . 15198 1 898 . 1 1 128 128 ALA HB3 H 1 1.382 0.05 . 1 . . . . 128 ALA HB . 15198 1 899 . 1 1 128 128 ALA C C 13 175.04 0.2 . 1 . . . . 128 ALA C . 15198 1 900 . 1 1 128 128 ALA CA C 13 52.06 0.2 . 1 . . . . 128 ALA CA . 15198 1 901 . 1 1 128 128 ALA CB C 13 18.93 0.2 . 1 . . . . 128 ALA CB . 15198 1 902 . 1 1 128 128 ALA N N 15 124.83 0.1 . 1 . . . . 128 ALA N . 15198 1 903 . 1 1 129 129 ARG H H 1 8.296 0.05 . 1 . . . . 129 ARG H . 15198 1 904 . 1 1 129 129 ARG HA H 1 4.327 0.05 . 1 . . . . 129 ARG HA . 15198 1 905 . 1 1 129 129 ARG HB2 H 1 1.866 0.05 . 2 . . . . 129 ARG HB2 . 15198 1 906 . 1 1 129 129 ARG HB3 H 1 1.74 0.05 . 2 . . . . 129 ARG HB3 . 15198 1 907 . 1 1 129 129 ARG C C 13 173.77 0.2 . 1 . . . . 129 ARG C . 15198 1 908 . 1 1 129 129 ARG CA C 13 55.52 0.2 . 1 . . . . 129 ARG CA . 15198 1 909 . 1 1 129 129 ARG CB C 13 30.15 0.2 . 1 . . . . 129 ARG CB . 15198 1 910 . 1 1 129 129 ARG N N 15 121.51 0.1 . 1 . . . . 129 ARG N . 15198 1 911 . 1 1 130 130 LEU H H 1 8.387 0.05 . 1 . . . . 130 LEU H . 15198 1 912 . 1 1 130 130 LEU C C 13 176.77 0.2 . 1 . . . . 130 LEU C . 15198 1 913 . 1 1 130 130 LEU CA C 13 53.78 0.2 . 1 . . . . 130 LEU CA . 15198 1 914 . 1 1 130 130 LEU CB C 13 41.49 0.2 . 1 . . . . 130 LEU CB . 15198 1 915 . 1 1 130 130 LEU N N 15 125.83 0.1 . 1 . . . . 130 LEU N . 15198 1 stop_ save_