data_15200 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15200 _Entry.Title ; NMR assignment of the apo-form of a Desulfovibrio gigas protein containing a novel Mo-Cu cluster ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-03 _Entry.Accession_date 2007-04-03 _Entry.Last_release_date . _Entry.Original_release_date . _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 Sofia Pauleta . R. . 15200 2 Jose Moura . JJG . 15200 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15200 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 523 15200 '15N chemical shifts' 135 15200 '1H chemical shifts' 773 15200 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 3 . . 2009-08-12 2007-04-03 update BMRB 'added PubMed ID' 15200 2 . . 2008-10-16 2007-04-03 update BMRB 'full entry citation' 15200 1 . . 2007-08-23 2007-04-03 original author 'original release' 15200 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15200 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636833 _Citation.Full_citation . _Citation.Title 'NMR assignment of the apo-form of a Desulfovibrio gigas protein containing a novel Mo-Cu cluster' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 1 _Citation.Journal_issue 1 _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 81 _Citation.Page_last 83 _Citation.Year 2007 _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 Sofia Pauleta . R. . 15200 1 2 Americo Duarte . G. . 15200 1 3 Marta Carepo . S. . 15200 1 4 Alice Pereira . S. . 15200 1 5 Pedro Tavares . . . 15200 1 6 Isabel Moura . . . 15200 1 7 Jose Moura . J.G. . 15200 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15200 _Assembly.ID 1 _Assembly.Name 'ApoORP monomer' _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 12100 _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 'subunit 1' 1 $ApoORP A . yes native no no . . . 15200 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ApoORP _Entity.Sf_category entity _Entity.Sf_framecode ApoORP _Entity.Entry_ID 15200 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ApoORP _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 ; ASHMQRIAVTAEGPGLDGLV DPRFGRAAGFVVVDAATMAA EYVDNGASQTLSHGAGINAA QVLAKSGAGVLLTGYVGPKA FQALQAAGIKVGQDLEGLTV RQAVQRFLDGQVPMAAGPNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2WFB . "High Resolution Structure Of The Apo Form Of The Orange Protein (Orp) From Desulfovibrio Gigas" . . . . . 100.00 120 100.00 100.00 3.97e-77 . . . . 15200 1 2 no EMBL CAI59607 . "hypothetical protein [Desulfovibrio gigas]" . . . . . 97.50 117 100.00 100.00 2.00e-74 . . . . 15200 1 3 no GB AGW13746 . "putative dinitrogenase iron-molybdenum cofactor [Desulfovibrio gigas DSM 1382 = ATCC 19364]" . . . . . 98.33 242 99.15 100.00 9.04e-74 . . . . 15200 1 4 no REF WP_021760641 . "dinitrogenase iron-molybdenum cofactor [Desulfovibrio gigas]" . . . . . 98.33 242 99.15 100.00 9.04e-74 . . . . 15200 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 . ALA . 15200 1 2 . SER . 15200 1 3 . HIS . 15200 1 4 . MET . 15200 1 5 . GLN . 15200 1 6 . ARG . 15200 1 7 . ILE . 15200 1 8 . ALA . 15200 1 9 . VAL . 15200 1 10 . THR . 15200 1 11 . ALA . 15200 1 12 . GLU . 15200 1 13 . GLY . 15200 1 14 . PRO . 15200 1 15 . GLY . 15200 1 16 . LEU . 15200 1 17 . ASP . 15200 1 18 . GLY . 15200 1 19 . LEU . 15200 1 20 . VAL . 15200 1 21 . ASP . 15200 1 22 . PRO . 15200 1 23 . ARG . 15200 1 24 . PHE . 15200 1 25 . GLY . 15200 1 26 . ARG . 15200 1 27 . ALA . 15200 1 28 . ALA . 15200 1 29 . GLY . 15200 1 30 . PHE . 15200 1 31 . VAL . 15200 1 32 . VAL . 15200 1 33 . VAL . 15200 1 34 . ASP . 15200 1 35 . ALA . 15200 1 36 . ALA . 15200 1 37 . THR . 15200 1 38 . MET . 15200 1 39 . ALA . 15200 1 40 . ALA . 15200 1 41 . GLU . 15200 1 42 . TYR . 15200 1 43 . VAL . 15200 1 44 . ASP . 15200 1 45 . ASN . 15200 1 46 . GLY . 15200 1 47 . ALA . 15200 1 48 . SER . 15200 1 49 . GLN . 15200 1 50 . THR . 15200 1 51 . LEU . 15200 1 52 . SER . 15200 1 53 . HIS . 15200 1 54 . GLY . 15200 1 55 . ALA . 15200 1 56 . GLY . 15200 1 57 . ILE . 15200 1 58 . ASN . 15200 1 59 . ALA . 15200 1 60 . ALA . 15200 1 61 . GLN . 15200 1 62 . VAL . 15200 1 63 . LEU . 15200 1 64 . ALA . 15200 1 65 . LYS . 15200 1 66 . SER . 15200 1 67 . GLY . 15200 1 68 . ALA . 15200 1 69 . GLY . 15200 1 70 . VAL . 15200 1 71 . LEU . 15200 1 72 . LEU . 15200 1 73 . THR . 15200 1 74 . GLY . 15200 1 75 . TYR . 15200 1 76 . VAL . 15200 1 77 . GLY . 15200 1 78 . PRO . 15200 1 79 . LYS . 15200 1 80 . ALA . 15200 1 81 . PHE . 15200 1 82 . GLN . 15200 1 83 . ALA . 15200 1 84 . LEU . 15200 1 85 . GLN . 15200 1 86 . ALA . 15200 1 87 . ALA . 15200 1 88 . GLY . 15200 1 89 . ILE . 15200 1 90 . LYS . 15200 1 91 . VAL . 15200 1 92 . GLY . 15200 1 93 . GLN . 15200 1 94 . ASP . 15200 1 95 . LEU . 15200 1 96 . GLU . 15200 1 97 . GLY . 15200 1 98 . LEU . 15200 1 99 . THR . 15200 1 100 . VAL . 15200 1 101 . ARG . 15200 1 102 . GLN . 15200 1 103 . ALA . 15200 1 104 . VAL . 15200 1 105 . GLN . 15200 1 106 . ARG . 15200 1 107 . PHE . 15200 1 108 . LEU . 15200 1 109 . ASP . 15200 1 110 . GLY . 15200 1 111 . GLN . 15200 1 112 . VAL . 15200 1 113 . PRO . 15200 1 114 . MET . 15200 1 115 . ALA . 15200 1 116 . ALA . 15200 1 117 . GLY . 15200 1 118 . PRO . 15200 1 119 . ASN . 15200 1 120 . LYS . 15200 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 . ALA 1 1 15200 1 . SER 2 2 15200 1 . HIS 3 3 15200 1 . MET 4 4 15200 1 . GLN 5 5 15200 1 . ARG 6 6 15200 1 . ILE 7 7 15200 1 . ALA 8 8 15200 1 . VAL 9 9 15200 1 . THR 10 10 15200 1 . ALA 11 11 15200 1 . GLU 12 12 15200 1 . GLY 13 13 15200 1 . PRO 14 14 15200 1 . GLY 15 15 15200 1 . LEU 16 16 15200 1 . ASP 17 17 15200 1 . GLY 18 18 15200 1 . LEU 19 19 15200 1 . VAL 20 20 15200 1 . ASP 21 21 15200 1 . PRO 22 22 15200 1 . ARG 23 23 15200 1 . PHE 24 24 15200 1 . GLY 25 25 15200 1 . ARG 26 26 15200 1 . ALA 27 27 15200 1 . ALA 28 28 15200 1 . GLY 29 29 15200 1 . PHE 30 30 15200 1 . VAL 31 31 15200 1 . VAL 32 32 15200 1 . VAL 33 33 15200 1 . ASP 34 34 15200 1 . ALA 35 35 15200 1 . ALA 36 36 15200 1 . THR 37 37 15200 1 . MET 38 38 15200 1 . ALA 39 39 15200 1 . ALA 40 40 15200 1 . GLU 41 41 15200 1 . TYR 42 42 15200 1 . VAL 43 43 15200 1 . ASP 44 44 15200 1 . ASN 45 45 15200 1 . GLY 46 46 15200 1 . ALA 47 47 15200 1 . SER 48 48 15200 1 . GLN 49 49 15200 1 . THR 50 50 15200 1 . LEU 51 51 15200 1 . SER 52 52 15200 1 . HIS 53 53 15200 1 . GLY 54 54 15200 1 . ALA 55 55 15200 1 . GLY 56 56 15200 1 . ILE 57 57 15200 1 . ASN 58 58 15200 1 . ALA 59 59 15200 1 . ALA 60 60 15200 1 . GLN 61 61 15200 1 . VAL 62 62 15200 1 . LEU 63 63 15200 1 . ALA 64 64 15200 1 . LYS 65 65 15200 1 . SER 66 66 15200 1 . GLY 67 67 15200 1 . ALA 68 68 15200 1 . GLY 69 69 15200 1 . VAL 70 70 15200 1 . LEU 71 71 15200 1 . LEU 72 72 15200 1 . THR 73 73 15200 1 . GLY 74 74 15200 1 . TYR 75 75 15200 1 . VAL 76 76 15200 1 . GLY 77 77 15200 1 . PRO 78 78 15200 1 . LYS 79 79 15200 1 . ALA 80 80 15200 1 . PHE 81 81 15200 1 . GLN 82 82 15200 1 . ALA 83 83 15200 1 . LEU 84 84 15200 1 . GLN 85 85 15200 1 . ALA 86 86 15200 1 . ALA 87 87 15200 1 . GLY 88 88 15200 1 . ILE 89 89 15200 1 . LYS 90 90 15200 1 . VAL 91 91 15200 1 . GLY 92 92 15200 1 . GLN 93 93 15200 1 . ASP 94 94 15200 1 . LEU 95 95 15200 1 . GLU 96 96 15200 1 . GLY 97 97 15200 1 . LEU 98 98 15200 1 . THR 99 99 15200 1 . VAL 100 100 15200 1 . ARG 101 101 15200 1 . GLN 102 102 15200 1 . ALA 103 103 15200 1 . VAL 104 104 15200 1 . GLN 105 105 15200 1 . ARG 106 106 15200 1 . PHE 107 107 15200 1 . LEU 108 108 15200 1 . ASP 109 109 15200 1 . GLY 110 110 15200 1 . GLN 111 111 15200 1 . VAL 112 112 15200 1 . PRO 113 113 15200 1 . MET 114 114 15200 1 . ALA 115 115 15200 1 . ALA 116 116 15200 1 . GLY 117 117 15200 1 . PRO 118 118 15200 1 . ASN 119 119 15200 1 . LYS 120 120 15200 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 15200 _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 $ApoORP . 879 organism . 'Desulfovibrio gigas' 'Desulfovibrio gigas' . . Bacteria . Desulfovibrio gigas 'NCIB 9332' . . . . . . . . . . . . . . . . . . . . 15200 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 15200 _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 $ApoORP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21d . . . . . . 15200 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15200 _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 ApoORP [U-15N] . . 1 $ApoORP . . 1 . . mM . . . . 15200 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15200 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15200 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15200 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15200 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15200 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ApoORP '[U-100% 13C; U-100% 15N]' . . 1 $ApoORP . . 1 . . mM . . . . 15200 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15200 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15200 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15200 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15200 2 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 15200 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 15200 1 pH 7.2 . pH 15200 1 pressure 1 . atm 15200 1 temperature 298 . K 15200 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15200 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15200 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15200 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15200 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15200 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15200 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15200 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15200 _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_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15200 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15200 _NMR_spectrometer.ID 4 _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 15200 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 15200 1 2 spectrometer_2 Bruker Avance . 600 . . . 15200 1 3 spectrometer_3 Bruker Avance . 700 . . . 15200 1 4 spectrometer_4 Bruker Avance . 800 . . . 15200 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 15200 _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 . . . . . . . . . . . . . . . . . . . . . 15200 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15200 1 3 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15200 1 4 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15200 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15200 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15200 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15200 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 15200 _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 . . . . . . . . . 15200 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15200 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15200 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 15200 _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' . . . 15200 1 2 '3D HNCO' . . . 15200 1 3 '3D HN(CO)CA' . . . 15200 1 4 '3D HNHA' . . . 15200 1 5 '3D CBCA(CO)NH' . . . 15200 1 6 '3D HNCACB' . . . 15200 1 7 '3D HCCH-TOCSY' . . . 15200 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA C C 13 172.100 0.3 . 1 . . . . 1 ALA C . 15200 1 2 . 1 1 1 1 ALA CA C 13 53.100 0.3 . 1 . . . . 1 ALA CA . 15200 1 3 . 1 1 1 1 ALA CB C 13 17.000 0.3 . 1 . . . . 1 ALA CB . 15200 1 4 . 1 1 2 2 SER H H 1 8.270 0.02 . 1 . . . . 2 SER H . 15200 1 5 . 1 1 2 2 SER HA H 1 4.410 0.02 . 1 . . . . 2 SER HA . 15200 1 6 . 1 1 2 2 SER HB2 H 1 3.780 0.02 . 2 . . . . 2 SER HB2 . 15200 1 7 . 1 1 2 2 SER HB3 H 1 3.780 0.02 . 2 . . . . 2 SER HB3 . 15200 1 8 . 1 1 2 2 SER C C 13 171.400 0.3 . 1 . . . . 2 SER C . 15200 1 9 . 1 1 2 2 SER CA C 13 55.400 0.3 . 1 . . . . 2 SER CA . 15200 1 10 . 1 1 2 2 SER CB C 13 61.000 0.3 . 1 . . . . 2 SER CB . 15200 1 11 . 1 1 2 2 SER N N 15 114.800 0.3 . 1 . . . . 2 SER N . 15200 1 12 . 1 1 3 3 HIS HA H 1 4.640 0.02 . 1 . . . . 3 HIS HA . 15200 1 13 . 1 1 3 3 HIS HB2 H 1 3.070 0.02 . 2 . . . . 3 HIS HB2 . 15200 1 14 . 1 1 3 3 HIS HB3 H 1 2.930 0.02 . 2 . . . . 3 HIS HB3 . 15200 1 15 . 1 1 3 3 HIS HD2 H 1 6.930 0.02 . 1 . . . . 3 HIS HD2 . 15200 1 16 . 1 1 3 3 HIS HE1 H 1 7.730 0.02 . 1 . . . . 3 HIS HE1 . 15200 1 17 . 1 1 3 3 HIS C C 13 172.800 0.3 . 1 . . . . 3 HIS C . 15200 1 18 . 1 1 3 3 HIS CA C 13 53.700 0.3 . 1 . . . . 3 HIS CA . 15200 1 19 . 1 1 3 3 HIS CB C 13 29.000 0.3 . 1 . . . . 3 HIS CB . 15200 1 20 . 1 1 3 3 HIS CD2 C 13 117.000 0.3 . 1 . . . . 3 HIS CD2 . 15200 1 21 . 1 1 3 3 HIS CG C 13 131.600 0.3 . 1 . . . . 3 HIS CG . 15200 1 22 . 1 1 3 3 HIS N N 15 121.700 0.3 . 1 . . . . 3 HIS N . 15200 1 23 . 1 1 3 3 HIS ND1 N 15 224.000 0.3 . 1 . . . . 3 HIS ND1 . 15200 1 24 . 1 1 3 3 HIS NE2 N 15 179.500 0.3 . 1 . . . . 3 HIS NE2 . 15200 1 25 . 1 1 4 4 MET HA H 1 4.410 0.02 . 1 . . . . 4 MET HA . 15200 1 26 . 1 1 4 4 MET HB2 H 1 2.010 0.02 . 2 . . . . 4 MET HB2 . 15200 1 27 . 1 1 4 4 MET HB3 H 1 1.920 0.02 . 2 . . . . 4 MET HB3 . 15200 1 28 . 1 1 4 4 MET HG2 H 1 2.460 0.02 . 2 . . . . 4 MET HG2 . 15200 1 29 . 1 1 4 4 MET HG3 H 1 2.340 0.02 . 2 . . . . 4 MET HG3 . 15200 1 30 . 1 1 4 4 MET C C 13 172.900 0.3 . 1 . . . . 4 MET C . 15200 1 31 . 1 1 4 4 MET CA C 13 52.500 0.3 . 1 . . . . 4 MET CA . 15200 1 32 . 1 1 4 4 MET CB C 13 29.500 0.3 . 1 . . . . 4 MET CB . 15200 1 33 . 1 1 4 4 MET CG C 13 28.900 0.3 . 1 . . . . 4 MET CG . 15200 1 34 . 1 1 4 4 MET N N 15 109.200 0.3 . 1 . . . . 4 MET N . 15200 1 35 . 1 1 5 5 GLN H H 1 8.290 0.02 . 1 . . . . 5 GLN H . 15200 1 36 . 1 1 5 5 GLN HA H 1 4.330 0.02 . 1 . . . . 5 GLN HA . 15200 1 37 . 1 1 5 5 GLN HB2 H 1 2.110 0.02 . 2 . . . . 5 GLN HB2 . 15200 1 38 . 1 1 5 5 GLN HB3 H 1 1.950 0.02 . 2 . . . . 5 GLN HB3 . 15200 1 39 . 1 1 5 5 GLN HE21 H 1 7.530 0.02 . 1 . . . . 5 GLN HE21 . 15200 1 40 . 1 1 5 5 GLN HE22 H 1 6.780 0.02 . 1 . . . . 5 GLN HE22 . 15200 1 41 . 1 1 5 5 GLN HG2 H 1 2.290 0.02 . 2 . . . . 5 GLN HG2 . 15200 1 42 . 1 1 5 5 GLN HG3 H 1 2.290 0.02 . 2 . . . . 5 GLN HG3 . 15200 1 43 . 1 1 5 5 GLN C C 13 172.200 0.3 . 1 . . . . 5 GLN C . 15200 1 44 . 1 1 5 5 GLN CA C 13 53.200 0.3 . 1 . . . . 5 GLN CA . 15200 1 45 . 1 1 5 5 GLN CB C 13 27.500 0.3 . 1 . . . . 5 GLN CB . 15200 1 46 . 1 1 5 5 GLN CD C 13 177.400 0.3 . 1 . . . . 5 GLN CD . 15200 1 47 . 1 1 5 5 GLN CG C 13 31.200 0.3 . 1 . . . . 5 GLN CG . 15200 1 48 . 1 1 5 5 GLN N N 15 119.900 0.3 . 1 . . . . 5 GLN N . 15200 1 49 . 1 1 5 5 GLN NE2 N 15 111.700 0.3 . 1 . . . . 5 GLN NE2 . 15200 1 50 . 1 1 6 6 ARG H H 1 8.270 0.02 . 1 . . . . 6 ARG H . 15200 1 51 . 1 1 6 6 ARG HA H 1 4.880 0.02 . 1 . . . . 6 ARG HA . 15200 1 52 . 1 1 6 6 ARG HB2 H 1 1.560 0.02 . 2 . . . . 6 ARG HB2 . 15200 1 53 . 1 1 6 6 ARG HB3 H 1 1.490 0.02 . 2 . . . . 6 ARG HB3 . 15200 1 54 . 1 1 6 6 ARG HD2 H 1 3.000 0.02 . 2 . . . . 6 ARG HD2 . 15200 1 55 . 1 1 6 6 ARG HD3 H 1 3.090 0.02 . 2 . . . . 6 ARG HD3 . 15200 1 56 . 1 1 6 6 ARG HG2 H 1 1.600 0.02 . 2 . . . . 6 ARG HG2 . 15200 1 57 . 1 1 6 6 ARG HG3 H 1 1.350 0.02 . 2 . . . . 6 ARG HG3 . 15200 1 58 . 1 1 6 6 ARG C C 13 172.000 0.3 . 1 . . . . 6 ARG C . 15200 1 59 . 1 1 6 6 ARG CA C 13 53.200 0.3 . 1 . . . . 6 ARG CA . 15200 1 60 . 1 1 6 6 ARG CB C 13 29.000 0.3 . 1 . . . . 6 ARG CB . 15200 1 61 . 1 1 6 6 ARG CD C 13 40.800 0.3 . 1 . . . . 6 ARG CD . 15200 1 62 . 1 1 6 6 ARG CG C 13 24.900 0.3 . 1 . . . . 6 ARG CG . 15200 1 63 . 1 1 6 6 ARG N N 15 121.800 0.3 . 1 . . . . 6 ARG N . 15200 1 64 . 1 1 7 7 ILE H H 1 8.830 0.02 . 1 . . . . 7 ILE H . 15200 1 65 . 1 1 7 7 ILE HA H 1 4.130 0.02 . 1 . . . . 7 ILE HA . 15200 1 66 . 1 1 7 7 ILE HB H 1 1.530 0.02 . 1 . . . . 7 ILE HB . 15200 1 67 . 1 1 7 7 ILE HD11 H 1 0.850 0.02 . 1 . . . . 7 ILE HD1 . 15200 1 68 . 1 1 7 7 ILE HD12 H 1 0.850 0.02 . 1 . . . . 7 ILE HD1 . 15200 1 69 . 1 1 7 7 ILE HD13 H 1 0.850 0.02 . 1 . . . . 7 ILE HD1 . 15200 1 70 . 1 1 7 7 ILE HG12 H 1 1.370 0.02 . 2 . . . . 7 ILE HG12 . 15200 1 71 . 1 1 7 7 ILE HG13 H 1 0.630 0.02 . 2 . . . . 7 ILE HG13 . 15200 1 72 . 1 1 7 7 ILE HG21 H 1 0.430 0.02 . 1 . . . . 7 ILE HG2 . 15200 1 73 . 1 1 7 7 ILE HG22 H 1 0.430 0.02 . 1 . . . . 7 ILE HG2 . 15200 1 74 . 1 1 7 7 ILE HG23 H 1 0.430 0.02 . 1 . . . . 7 ILE HG2 . 15200 1 75 . 1 1 7 7 ILE C C 13 171.000 0.3 . 1 . . . . 7 ILE C . 15200 1 76 . 1 1 7 7 ILE CA C 13 57.300 0.3 . 1 . . . . 7 ILE CA . 15200 1 77 . 1 1 7 7 ILE CB C 13 38.500 0.3 . 1 . . . . 7 ILE CB . 15200 1 78 . 1 1 7 7 ILE CD1 C 13 12.900 0.3 . 1 . . . . 7 ILE CD1 . 15200 1 79 . 1 1 7 7 ILE CG1 C 13 24.500 0.3 . 1 . . . . 7 ILE CG1 . 15200 1 80 . 1 1 7 7 ILE CG2 C 13 15.300 0.3 . 1 . . . . 7 ILE CG2 . 15200 1 81 . 1 1 7 7 ILE N N 15 124.300 0.3 . 1 . . . . 7 ILE N . 15200 1 82 . 1 1 8 8 ALA H H 1 9.120 0.02 . 1 . . . . 8 ALA H . 15200 1 83 . 1 1 8 8 ALA HA H 1 5.390 0.02 . 1 . . . . 8 ALA HA . 15200 1 84 . 1 1 8 8 ALA HB1 H 1 1.050 0.02 . 1 . . . . 8 ALA HB . 15200 1 85 . 1 1 8 8 ALA HB2 H 1 1.050 0.02 . 1 . . . . 8 ALA HB . 15200 1 86 . 1 1 8 8 ALA HB3 H 1 1.050 0.02 . 1 . . . . 8 ALA HB . 15200 1 87 . 1 1 8 8 ALA C C 13 173.000 0.3 . 1 . . . . 8 ALA C . 15200 1 88 . 1 1 8 8 ALA CA C 13 46.900 0.3 . 1 . . . . 8 ALA CA . 15200 1 89 . 1 1 8 8 ALA CB C 13 20.500 0.3 . 1 . . . . 8 ALA CB . 15200 1 90 . 1 1 8 8 ALA N N 15 128.900 0.3 . 1 . . . . 8 ALA N . 15200 1 91 . 1 1 9 9 VAL H H 1 9.130 0.02 . 1 . . . . 9 VAL H . 15200 1 92 . 1 1 9 9 VAL HA H 1 5.320 0.02 . 1 . . . . 9 VAL HA . 15200 1 93 . 1 1 9 9 VAL HB H 1 1.990 0.02 . 1 . . . . 9 VAL HB . 15200 1 94 . 1 1 9 9 VAL HG11 H 1 1.140 0.02 . 1 . . . . 9 VAL HG1 . 15200 1 95 . 1 1 9 9 VAL HG12 H 1 1.140 0.02 . 1 . . . . 9 VAL HG1 . 15200 1 96 . 1 1 9 9 VAL HG13 H 1 1.140 0.02 . 1 . . . . 9 VAL HG1 . 15200 1 97 . 1 1 9 9 VAL HG21 H 1 0.850 0.02 . 1 . . . . 9 VAL HG2 . 15200 1 98 . 1 1 9 9 VAL HG22 H 1 0.850 0.02 . 1 . . . . 9 VAL HG2 . 15200 1 99 . 1 1 9 9 VAL HG23 H 1 0.850 0.02 . 1 . . . . 9 VAL HG2 . 15200 1 100 . 1 1 9 9 VAL C C 13 175.300 0.3 . 1 . . . . 9 VAL C . 15200 1 101 . 1 1 9 9 VAL CA C 13 57.100 0.3 . 1 . . . . 9 VAL CA . 15200 1 102 . 1 1 9 9 VAL CB C 13 32.400 0.3 . 1 . . . . 9 VAL CB . 15200 1 103 . 1 1 9 9 VAL CG1 C 13 20.400 0.3 . 1 . . . . 9 VAL CG1 . 15200 1 104 . 1 1 9 9 VAL CG2 C 13 18.800 0.3 . 1 . . . . 9 VAL CG2 . 15200 1 105 . 1 1 9 9 VAL N N 15 121.600 0.3 . 1 . . . . 9 VAL N . 15200 1 106 . 1 1 10 10 THR H H 1 8.210 0.02 . 1 . . . . 10 THR H . 15200 1 107 . 1 1 10 10 THR HA H 1 4.440 0.02 . 1 . . . . 10 THR HA . 15200 1 108 . 1 1 10 10 THR HB H 1 4.360 0.02 . 1 . . . . 10 THR HB . 15200 1 109 . 1 1 10 10 THR HG21 H 1 1.570 0.02 . 1 . . . . 10 THR HG2 . 15200 1 110 . 1 1 10 10 THR HG22 H 1 1.570 0.02 . 1 . . . . 10 THR HG2 . 15200 1 111 . 1 1 10 10 THR HG23 H 1 1.570 0.02 . 1 . . . . 10 THR HG2 . 15200 1 112 . 1 1 10 10 THR C C 13 172.300 0.3 . 1 . . . . 10 THR C . 15200 1 113 . 1 1 10 10 THR CA C 13 59.700 0.3 . 1 . . . . 10 THR CA . 15200 1 114 . 1 1 10 10 THR CB C 13 65.500 0.3 . 1 . . . . 10 THR CB . 15200 1 115 . 1 1 10 10 THR CG2 C 13 22.000 0.3 . 1 . . . . 10 THR CG2 . 15200 1 116 . 1 1 10 10 THR N N 15 116.700 0.3 . 1 . . . . 10 THR N . 15200 1 117 . 1 1 11 11 ALA H H 1 8.480 0.02 . 1 . . . . 11 ALA H . 15200 1 118 . 1 1 11 11 ALA HA H 1 4.830 0.02 . 1 . . . . 11 ALA HA . 15200 1 119 . 1 1 11 11 ALA HB1 H 1 1.530 0.02 . 1 . . . . 11 ALA HB . 15200 1 120 . 1 1 11 11 ALA HB2 H 1 1.530 0.02 . 1 . . . . 11 ALA HB . 15200 1 121 . 1 1 11 11 ALA HB3 H 1 1.530 0.02 . 1 . . . . 11 ALA HB . 15200 1 122 . 1 1 11 11 ALA C C 13 172.100 0.3 . 1 . . . . 11 ALA C . 15200 1 123 . 1 1 11 11 ALA CA C 13 49.400 0.3 . 1 . . . . 11 ALA CA . 15200 1 124 . 1 1 11 11 ALA CB C 13 22.300 0.3 . 1 . . . . 11 ALA CB . 15200 1 125 . 1 1 11 11 ALA N N 15 126.200 0.3 . 1 . . . . 11 ALA N . 15200 1 126 . 1 1 12 12 GLU H H 1 8.650 0.02 . 1 . . . . 12 GLU H . 15200 1 127 . 1 1 12 12 GLU HA H 1 4.540 0.02 . 1 . . . . 12 GLU HA . 15200 1 128 . 1 1 12 12 GLU HB2 H 1 2.070 0.02 . 2 . . . . 12 GLU HB2 . 15200 1 129 . 1 1 12 12 GLU HB3 H 1 1.950 0.02 . 2 . . . . 12 GLU HB3 . 15200 1 130 . 1 1 12 12 GLU HG2 H 1 2.260 0.02 . 2 . . . . 12 GLU HG2 . 15200 1 131 . 1 1 12 12 GLU HG3 H 1 2.210 0.02 . 2 . . . . 12 GLU HG3 . 15200 1 132 . 1 1 12 12 GLU C C 13 173.600 0.3 . 1 . . . . 12 GLU C . 15200 1 133 . 1 1 12 12 GLU CA C 13 53.600 0.3 . 1 . . . . 12 GLU CA . 15200 1 134 . 1 1 12 12 GLU CB C 13 28.200 0.3 . 1 . . . . 12 GLU CB . 15200 1 135 . 1 1 12 12 GLU CD C 13 181.100 0.3 . 1 . . . . 12 GLU CD . 15200 1 136 . 1 1 12 12 GLU CG C 13 33.900 0.3 . 1 . . . . 12 GLU CG . 15200 1 137 . 1 1 12 12 GLU N N 15 116.400 0.3 . 1 . . . . 12 GLU N . 15200 1 138 . 1 1 13 13 GLY H H 1 7.360 0.02 . 1 . . . . 13 GLY H . 15200 1 139 . 1 1 13 13 GLY HA2 H 1 3.690 0.02 . 2 . . . . 13 GLY HA2 . 15200 1 140 . 1 1 13 13 GLY HA3 H 1 3.440 0.02 . 2 . . . . 13 GLY HA3 . 15200 1 141 . 1 1 13 13 GLY C C 13 166.500 0.3 . 1 . . . . 13 GLY C . 15200 1 142 . 1 1 13 13 GLY CA C 13 41.700 0.3 . 1 . . . . 13 GLY CA . 15200 1 143 . 1 1 13 13 GLY N N 15 105.500 0.3 . 1 . . . . 13 GLY N . 15200 1 144 . 1 1 14 14 PRO HA H 1 3.880 0.02 . 1 . . . . 14 PRO HA . 15200 1 145 . 1 1 14 14 PRO HB2 H 1 1.770 0.02 . 2 . . . . 14 PRO HB2 . 15200 1 146 . 1 1 14 14 PRO HB3 H 1 1.650 0.02 . 2 . . . . 14 PRO HB3 . 15200 1 147 . 1 1 14 14 PRO HD2 H 1 3.120 0.02 . 2 . . . . 14 PRO HD2 . 15200 1 148 . 1 1 14 14 PRO HD3 H 1 2.350 0.02 . 2 . . . . 14 PRO HD3 . 15200 1 149 . 1 1 14 14 PRO HG2 H 1 1.630 0.02 . 2 . . . . 14 PRO HG2 . 15200 1 150 . 1 1 14 14 PRO HG3 H 1 1.290 0.02 . 2 . . . . 14 PRO HG3 . 15200 1 151 . 1 1 14 14 PRO C C 13 174.600 0.3 . 1 . . . . 14 PRO C . 15200 1 152 . 1 1 14 14 PRO CA C 13 60.200 0.3 . 1 . . . . 14 PRO CA . 15200 1 153 . 1 1 14 14 PRO CB C 13 29.500 0.3 . 1 . . . . 14 PRO CB . 15200 1 154 . 1 1 14 14 PRO CD C 13 45.700 0.3 . 1 . . . . 14 PRO CD . 15200 1 155 . 1 1 14 14 PRO CG C 13 23.500 0.3 . 1 . . . . 14 PRO CG . 15200 1 156 . 1 1 14 14 PRO N N 15 131.100 0.3 . 1 . . . . 14 PRO N . 15200 1 157 . 1 1 15 15 GLY H H 1 8.080 0.02 . 1 . . . . 15 GLY H . 15200 1 158 . 1 1 15 15 GLY HA2 H 1 4.370 0.02 . 2 . . . . 15 GLY HA2 . 15200 1 159 . 1 1 15 15 GLY HA3 H 1 3.510 0.02 . 2 . . . . 15 GLY HA3 . 15200 1 160 . 1 1 15 15 GLY C C 13 172.300 0.3 . 1 . . . . 15 GLY C . 15200 1 161 . 1 1 15 15 GLY CA C 13 41.900 0.3 . 1 . . . . 15 GLY CA . 15200 1 162 . 1 1 15 15 GLY N N 15 108.200 0.3 . 1 . . . . 15 GLY N . 15200 1 163 . 1 1 16 16 LEU H H 1 8.600 0.02 . 1 . . . . 16 LEU H . 15200 1 164 . 1 1 16 16 LEU HA H 1 3.940 0.02 . 1 . . . . 16 LEU HA . 15200 1 165 . 1 1 16 16 LEU HB2 H 1 1.670 0.02 . 2 . . . . 16 LEU HB2 . 15200 1 166 . 1 1 16 16 LEU HB3 H 1 1.300 0.02 . 2 . . . . 16 LEU HB3 . 15200 1 167 . 1 1 16 16 LEU HD11 H 1 0.930 0.02 . 1 . . . . 16 LEU HD1 . 15200 1 168 . 1 1 16 16 LEU HD12 H 1 0.930 0.02 . 1 . . . . 16 LEU HD1 . 15200 1 169 . 1 1 16 16 LEU HD13 H 1 0.930 0.02 . 1 . . . . 16 LEU HD1 . 15200 1 170 . 1 1 16 16 LEU HD21 H 1 0.710 0.02 . 1 . . . . 16 LEU HD2 . 15200 1 171 . 1 1 16 16 LEU HD22 H 1 0.710 0.02 . 1 . . . . 16 LEU HD2 . 15200 1 172 . 1 1 16 16 LEU HD23 H 1 0.710 0.02 . 1 . . . . 16 LEU HD2 . 15200 1 173 . 1 1 16 16 LEU HG H 1 1.560 0.02 . 1 . . . . 16 LEU HG . 15200 1 174 . 1 1 16 16 LEU C C 13 173.400 0.3 . 1 . . . . 16 LEU C . 15200 1 175 . 1 1 16 16 LEU CA C 13 54.100 0.3 . 1 . . . . 16 LEU CA . 15200 1 176 . 1 1 16 16 LEU CB C 13 40.300 0.3 . 1 . . . . 16 LEU CB . 15200 1 177 . 1 1 16 16 LEU CD1 C 13 22.500 0.3 . 1 . . . . 16 LEU CD1 . 15200 1 178 . 1 1 16 16 LEU CD2 C 13 21.400 0.3 . 1 . . . . 16 LEU CD2 . 15200 1 179 . 1 1 16 16 LEU CG C 13 24.600 0.3 . 1 . . . . 16 LEU CG . 15200 1 180 . 1 1 16 16 LEU N N 15 122.900 0.3 . 1 . . . . 16 LEU N . 15200 1 181 . 1 1 17 17 ASP H H 1 8.200 0.02 . 1 . . . . 17 ASP H . 15200 1 182 . 1 1 17 17 ASP HA H 1 4.950 0.02 . 1 . . . . 17 ASP HA . 15200 1 183 . 1 1 17 17 ASP HB2 H 1 2.900 0.02 . 2 . . . . 17 ASP HB2 . 15200 1 184 . 1 1 17 17 ASP HB3 H 1 2.410 0.02 . 2 . . . . 17 ASP HB3 . 15200 1 185 . 1 1 17 17 ASP C C 13 173.100 0.3 . 1 . . . . 17 ASP C . 15200 1 186 . 1 1 17 17 ASP CA C 13 51.800 0.3 . 1 . . . . 17 ASP CA . 15200 1 187 . 1 1 17 17 ASP CB C 13 38.500 0.3 . 1 . . . . 17 ASP CB . 15200 1 188 . 1 1 17 17 ASP CG C 13 179.000 0.3 . 1 . . . . 17 ASP CG . 15200 1 189 . 1 1 17 17 ASP N N 15 114.200 0.3 . 1 . . . . 17 ASP N . 15200 1 190 . 1 1 18 18 GLY H H 1 6.960 0.02 . 1 . . . . 18 GLY H . 15200 1 191 . 1 1 18 18 GLY HA2 H 1 4.030 0.02 . 2 . . . . 18 GLY HA2 . 15200 1 192 . 1 1 18 18 GLY HA3 H 1 3.700 0.02 . 2 . . . . 18 GLY HA3 . 15200 1 193 . 1 1 18 18 GLY C C 13 169.400 0.3 . 1 . . . . 18 GLY C . 15200 1 194 . 1 1 18 18 GLY CA C 13 41.400 0.3 . 1 . . . . 18 GLY CA . 15200 1 195 . 1 1 18 18 GLY N N 15 105.600 0.3 . 1 . . . . 18 GLY N . 15200 1 196 . 1 1 19 19 LEU H H 1 8.180 0.02 . 1 . . . . 19 LEU H . 15200 1 197 . 1 1 19 19 LEU HA H 1 4.270 0.02 . 1 . . . . 19 LEU HA . 15200 1 198 . 1 1 19 19 LEU HB2 H 1 1.530 0.02 . 2 . . . . 19 LEU HB2 . 15200 1 199 . 1 1 19 19 LEU HB3 H 1 1.440 0.02 . 2 . . . . 19 LEU HB3 . 15200 1 200 . 1 1 19 19 LEU HD11 H 1 0.820 0.02 . 1 . . . . 19 LEU HD1 . 15200 1 201 . 1 1 19 19 LEU HD12 H 1 0.820 0.02 . 1 . . . . 19 LEU HD1 . 15200 1 202 . 1 1 19 19 LEU HD13 H 1 0.820 0.02 . 1 . . . . 19 LEU HD1 . 15200 1 203 . 1 1 19 19 LEU HD21 H 1 0.660 0.02 . 1 . . . . 19 LEU HD2 . 15200 1 204 . 1 1 19 19 LEU HD22 H 1 0.660 0.02 . 1 . . . . 19 LEU HD2 . 15200 1 205 . 1 1 19 19 LEU HD23 H 1 0.660 0.02 . 1 . . . . 19 LEU HD2 . 15200 1 206 . 1 1 19 19 LEU HG H 1 1.670 0.02 . 1 . . . . 19 LEU HG . 15200 1 207 . 1 1 19 19 LEU C C 13 175.800 0.3 . 1 . . . . 19 LEU C . 15200 1 208 . 1 1 19 19 LEU CA C 13 52.400 0.3 . 1 . . . . 19 LEU CA . 15200 1 209 . 1 1 19 19 LEU CB C 13 40.000 0.3 . 1 . . . . 19 LEU CB . 15200 1 210 . 1 1 19 19 LEU CD1 C 13 22.200 0.3 . 1 . . . . 19 LEU CD1 . 15200 1 211 . 1 1 19 19 LEU CD2 C 13 20.000 0.3 . 1 . . . . 19 LEU CD2 . 15200 1 212 . 1 1 19 19 LEU CG C 13 24.100 0.3 . 1 . . . . 19 LEU CG . 15200 1 213 . 1 1 19 19 LEU N N 15 119.000 0.3 . 1 . . . . 19 LEU N . 15200 1 214 . 1 1 20 20 VAL H H 1 8.420 0.02 . 1 . . . . 20 VAL H . 15200 1 215 . 1 1 20 20 VAL HA H 1 3.800 0.02 . 1 . . . . 20 VAL HA . 15200 1 216 . 1 1 20 20 VAL HB H 1 1.830 0.02 . 1 . . . . 20 VAL HB . 15200 1 217 . 1 1 20 20 VAL HG11 H 1 0.710 0.02 . 1 . . . . 20 VAL HG1 . 15200 1 218 . 1 1 20 20 VAL HG12 H 1 0.710 0.02 . 1 . . . . 20 VAL HG1 . 15200 1 219 . 1 1 20 20 VAL HG13 H 1 0.710 0.02 . 1 . . . . 20 VAL HG1 . 15200 1 220 . 1 1 20 20 VAL HG21 H 1 0.520 0.02 . 1 . . . . 20 VAL HG2 . 15200 1 221 . 1 1 20 20 VAL HG22 H 1 0.520 0.02 . 1 . . . . 20 VAL HG2 . 15200 1 222 . 1 1 20 20 VAL HG23 H 1 0.520 0.02 . 1 . . . . 20 VAL HG2 . 15200 1 223 . 1 1 20 20 VAL C C 13 174.300 0.3 . 1 . . . . 20 VAL C . 15200 1 224 . 1 1 20 20 VAL CA C 13 60.500 0.3 . 1 . . . . 20 VAL CA . 15200 1 225 . 1 1 20 20 VAL CB C 13 30.600 0.3 . 1 . . . . 20 VAL CB . 15200 1 226 . 1 1 20 20 VAL CG1 C 13 19.500 0.3 . 1 . . . . 20 VAL CG1 . 15200 1 227 . 1 1 20 20 VAL CG2 C 13 16.700 0.3 . 1 . . . . 20 VAL CG2 . 15200 1 228 . 1 1 20 20 VAL N N 15 121.000 0.3 . 1 . . . . 20 VAL N . 15200 1 229 . 1 1 21 21 ASP H H 1 8.080 0.02 . 1 . . . . 21 ASP H . 15200 1 230 . 1 1 21 21 ASP HA H 1 4.970 0.02 . 1 . . . . 21 ASP HA . 15200 1 231 . 1 1 21 21 ASP HB2 H 1 2.620 0.02 . 2 . . . . 21 ASP HB2 . 15200 1 232 . 1 1 21 21 ASP HB3 H 1 2.200 0.02 . 2 . . . . 21 ASP HB3 . 15200 1 233 . 1 1 21 21 ASP C C 13 172.400 0.3 . 1 . . . . 21 ASP C . 15200 1 234 . 1 1 21 21 ASP CA C 13 47.000 0.3 . 1 . . . . 21 ASP CA . 15200 1 235 . 1 1 21 21 ASP CB C 13 39.100 0.3 . 1 . . . . 21 ASP CB . 15200 1 236 . 1 1 21 21 ASP CG C 13 176.500 0.3 . 1 . . . . 21 ASP CG . 15200 1 237 . 1 1 21 21 ASP N N 15 129.800 0.3 . 1 . . . . 21 ASP N . 15200 1 238 . 1 1 22 22 PRO HA H 1 4.090 0.02 . 1 . . . . 22 PRO HA . 15200 1 239 . 1 1 22 22 PRO HB2 H 1 2.200 0.02 . 2 . . . . 22 PRO HB2 . 15200 1 240 . 1 1 22 22 PRO HB3 H 1 2.100 0.02 . 2 . . . . 22 PRO HB3 . 15200 1 241 . 1 1 22 22 PRO HD2 H 1 4.020 0.02 . 2 . . . . 22 PRO HD2 . 15200 1 242 . 1 1 22 22 PRO HD3 H 1 3.960 0.02 . 2 . . . . 22 PRO HD3 . 15200 1 243 . 1 1 22 22 PRO HG2 H 1 2.040 0.02 . 2 . . . . 22 PRO HG2 . 15200 1 244 . 1 1 22 22 PRO HG3 H 1 1.970 0.02 . 2 . . . . 22 PRO HG3 . 15200 1 245 . 1 1 22 22 PRO C C 13 172.800 0.3 . 1 . . . . 22 PRO C . 15200 1 246 . 1 1 22 22 PRO CA C 13 60.600 0.3 . 1 . . . . 22 PRO CA . 15200 1 247 . 1 1 22 22 PRO CB C 13 30.400 0.3 . 1 . . . . 22 PRO CB . 15200 1 248 . 1 1 22 22 PRO CD C 13 47.900 0.3 . 1 . . . . 22 PRO CD . 15200 1 249 . 1 1 22 22 PRO CG C 13 24.000 0.3 . 1 . . . . 22 PRO CG . 15200 1 250 . 1 1 22 22 PRO N N 15 134.800 0.3 . 1 . . . . 22 PRO N . 15200 1 251 . 1 1 23 23 ARG H H 1 7.990 0.02 . 1 . . . . 23 ARG H . 15200 1 252 . 1 1 23 23 ARG HA H 1 4.320 0.02 . 1 . . . . 23 ARG HA . 15200 1 253 . 1 1 23 23 ARG HB2 H 1 1.850 0.02 . 2 . . . . 23 ARG HB2 . 15200 1 254 . 1 1 23 23 ARG HB3 H 1 1.600 0.02 . 2 . . . . 23 ARG HB3 . 15200 1 255 . 1 1 23 23 ARG HD2 H 1 3.230 0.02 . 2 . . . . 23 ARG HD2 . 15200 1 256 . 1 1 23 23 ARG HD3 H 1 3.230 0.02 . 2 . . . . 23 ARG HD3 . 15200 1 257 . 1 1 23 23 ARG HG2 H 1 1.570 0.02 . 2 . . . . 23 ARG HG2 . 15200 1 258 . 1 1 23 23 ARG HG3 H 1 1.570 0.02 . 2 . . . . 23 ARG HG3 . 15200 1 259 . 1 1 23 23 ARG C C 13 171.600 0.3 . 1 . . . . 23 ARG C . 15200 1 260 . 1 1 23 23 ARG CA C 13 51.600 0.3 . 1 . . . . 23 ARG CA . 15200 1 261 . 1 1 23 23 ARG CB C 13 26.800 0.3 . 1 . . . . 23 ARG CB . 15200 1 262 . 1 1 23 23 ARG CD C 13 40.800 0.3 . 1 . . . . 23 ARG CD . 15200 1 263 . 1 1 23 23 ARG CG C 13 22.700 0.3 . 1 . . . . 23 ARG CG . 15200 1 264 . 1 1 23 23 ARG N N 15 119.700 0.3 . 1 . . . . 23 ARG N . 15200 1 265 . 1 1 24 24 PHE H H 1 7.840 0.02 . 1 . . . . 24 PHE H . 15200 1 266 . 1 1 24 24 PHE HA H 1 4.370 0.02 . 1 . . . . 24 PHE HA . 15200 1 267 . 1 1 24 24 PHE HB2 H 1 3.270 0.02 . 2 . . . . 24 PHE HB2 . 15200 1 268 . 1 1 24 24 PHE HB3 H 1 3.200 0.02 . 2 . . . . 24 PHE HB3 . 15200 1 269 . 1 1 24 24 PHE HD1 H 1 7.160 0.02 . 3 . . . . 24 PHE HD1 . 15200 1 270 . 1 1 24 24 PHE HD2 H 1 7.160 0.02 . 3 . . . . 24 PHE HD2 . 15200 1 271 . 1 1 24 24 PHE C C 13 173.200 0.3 . 1 . . . . 24 PHE C . 15200 1 272 . 1 1 24 24 PHE CA C 13 58.400 0.3 . 1 . . . . 24 PHE CA . 15200 1 273 . 1 1 24 24 PHE CB C 13 36.700 0.3 . 1 . . . . 24 PHE CB . 15200 1 274 . 1 1 24 24 PHE CD1 C 13 130.000 0.3 . 1 . . . . 24 PHE CD1 . 15200 1 275 . 1 1 24 24 PHE CD2 C 13 129.800 0.3 . 1 . . . . 24 PHE CD2 . 15200 1 276 . 1 1 24 24 PHE CE1 C 13 126.900 0.3 . 1 . . . . 24 PHE CE1 . 15200 1 277 . 1 1 24 24 PHE CE2 C 13 126.400 0.3 . 1 . . . . 24 PHE CE2 . 15200 1 278 . 1 1 24 24 PHE CG C 13 135.700 0.3 . 1 . . . . 24 PHE CG . 15200 1 279 . 1 1 24 24 PHE CZ C 13 126.100 0.3 . 1 . . . . 24 PHE CZ . 15200 1 280 . 1 1 24 24 PHE N N 15 122.500 0.3 . 1 . . . . 24 PHE N . 15200 1 281 . 1 1 25 25 GLY H H 1 8.400 0.02 . 1 . . . . 25 GLY H . 15200 1 282 . 1 1 25 25 GLY HA2 H 1 4.210 0.02 . 2 . . . . 25 GLY HA2 . 15200 1 283 . 1 1 25 25 GLY HA3 H 1 3.650 0.02 . 2 . . . . 25 GLY HA3 . 15200 1 284 . 1 1 25 25 GLY C C 13 170.900 0.3 . 1 . . . . 25 GLY C . 15200 1 285 . 1 1 25 25 GLY CA C 13 43.400 0.3 . 1 . . . . 25 GLY CA . 15200 1 286 . 1 1 25 25 GLY N N 15 107.300 0.3 . 1 . . . . 25 GLY N . 15200 1 287 . 1 1 26 26 ARG H H 1 7.120 0.02 . 1 . . . . 26 ARG H . 15200 1 288 . 1 1 26 26 ARG HA H 1 4.250 0.02 . 1 . . . . 26 ARG HA . 15200 1 289 . 1 1 26 26 ARG HB2 H 1 1.960 0.02 . 2 . . . . 26 ARG HB2 . 15200 1 290 . 1 1 26 26 ARG HB3 H 1 1.370 0.02 . 2 . . . . 26 ARG HB3 . 15200 1 291 . 1 1 26 26 ARG HD2 H 1 3.090 0.02 . 2 . . . . 26 ARG HD2 . 15200 1 292 . 1 1 26 26 ARG HD3 H 1 3.090 0.02 . 2 . . . . 26 ARG HD3 . 15200 1 293 . 1 1 26 26 ARG HG2 H 1 1.530 0.02 . 2 . . . . 26 ARG HG2 . 15200 1 294 . 1 1 26 26 ARG HG3 H 1 1.430 0.02 . 2 . . . . 26 ARG HG3 . 15200 1 295 . 1 1 26 26 ARG C C 13 172.400 0.3 . 1 . . . . 26 ARG C . 15200 1 296 . 1 1 26 26 ARG CA C 13 51.500 0.3 . 1 . . . . 26 ARG CA . 15200 1 297 . 1 1 26 26 ARG CB C 13 28.000 0.3 . 1 . . . . 26 ARG CB . 15200 1 298 . 1 1 26 26 ARG CD C 13 40.100 0.3 . 1 . . . . 26 ARG CD . 15200 1 299 . 1 1 26 26 ARG CG C 13 24.300 0.3 . 1 . . . . 26 ARG CG . 15200 1 300 . 1 1 26 26 ARG N N 15 114.100 0.3 . 1 . . . . 26 ARG N . 15200 1 301 . 1 1 27 27 ALA H H 1 7.040 0.02 . 1 . . . . 27 ALA H . 15200 1 302 . 1 1 27 27 ALA HA H 1 3.990 0.02 . 1 . . . . 27 ALA HA . 15200 1 303 . 1 1 27 27 ALA HB1 H 1 1.170 0.02 . 1 . . . . 27 ALA HB . 15200 1 304 . 1 1 27 27 ALA HB2 H 1 1.170 0.02 . 1 . . . . 27 ALA HB . 15200 1 305 . 1 1 27 27 ALA HB3 H 1 1.170 0.02 . 1 . . . . 27 ALA HB . 15200 1 306 . 1 1 27 27 ALA C C 13 175.100 0.3 . 1 . . . . 27 ALA C . 15200 1 307 . 1 1 27 27 ALA CA C 13 49.800 0.3 . 1 . . . . 27 ALA CA . 15200 1 308 . 1 1 27 27 ALA CB C 13 15.500 0.3 . 1 . . . . 27 ALA CB . 15200 1 309 . 1 1 27 27 ALA N N 15 122.800 0.3 . 1 . . . . 27 ALA N . 15200 1 310 . 1 1 28 28 ALA H H 1 8.600 0.02 . 1 . . . . 28 ALA H . 15200 1 311 . 1 1 28 28 ALA HA H 1 3.820 0.02 . 1 . . . . 28 ALA HA . 15200 1 312 . 1 1 28 28 ALA HB1 H 1 1.380 0.02 . 1 . . . . 28 ALA HB . 15200 1 313 . 1 1 28 28 ALA HB2 H 1 1.380 0.02 . 1 . . . . 28 ALA HB . 15200 1 314 . 1 1 28 28 ALA HB3 H 1 1.380 0.02 . 1 . . . . 28 ALA HB . 15200 1 315 . 1 1 28 28 ALA C C 13 175.700 0.3 . 1 . . . . 28 ALA C . 15200 1 316 . 1 1 28 28 ALA CA C 13 51.900 0.3 . 1 . . . . 28 ALA CA . 15200 1 317 . 1 1 28 28 ALA CB C 13 15.900 0.3 . 1 . . . . 28 ALA CB . 15200 1 318 . 1 1 28 28 ALA N N 15 124.900 0.3 . 1 . . . . 28 ALA N . 15200 1 319 . 1 1 29 29 GLY H H 1 7.500 0.02 . 1 . . . . 29 GLY H . 15200 1 320 . 1 1 29 29 GLY HA2 H 1 3.730 0.02 . 2 . . . . 29 GLY HA2 . 15200 1 321 . 1 1 29 29 GLY HA3 H 1 3.350 0.02 . 2 . . . . 29 GLY HA3 . 15200 1 322 . 1 1 29 29 GLY C C 13 167.500 0.3 . 1 . . . . 29 GLY C . 15200 1 323 . 1 1 29 29 GLY CA C 13 42.600 0.3 . 1 . . . . 29 GLY CA . 15200 1 324 . 1 1 29 29 GLY N N 15 101.700 0.3 . 1 . . . . 29 GLY N . 15200 1 325 . 1 1 30 30 PHE H H 1 8.410 0.02 . 1 . . . . 30 PHE H . 15200 1 326 . 1 1 30 30 PHE HA H 1 5.340 0.02 . 1 . . . . 30 PHE HA . 15200 1 327 . 1 1 30 30 PHE HB2 H 1 2.520 0.02 . 2 . . . . 30 PHE HB2 . 15200 1 328 . 1 1 30 30 PHE HB3 H 1 2.420 0.02 . 2 . . . . 30 PHE HB3 . 15200 1 329 . 1 1 30 30 PHE HD1 H 1 6.700 0.02 . 3 . . . . 30 PHE HD1 . 15200 1 330 . 1 1 30 30 PHE HD2 H 1 6.700 0.02 . 3 . . . . 30 PHE HD2 . 15200 1 331 . 1 1 30 30 PHE HE1 H 1 7.010 0.02 . 3 . . . . 30 PHE HE1 . 15200 1 332 . 1 1 30 30 PHE HE2 H 1 7.010 0.02 . 3 . . . . 30 PHE HE2 . 15200 1 333 . 1 1 30 30 PHE HZ H 1 6.640 0.02 . 1 . . . . 30 PHE HZ . 15200 1 334 . 1 1 30 30 PHE C C 13 172.600 0.3 . 1 . . . . 30 PHE C . 15200 1 335 . 1 1 30 30 PHE CA C 13 51.500 0.3 . 1 . . . . 30 PHE CA . 15200 1 336 . 1 1 30 30 PHE CB C 13 38.900 0.3 . 1 . . . . 30 PHE CB . 15200 1 337 . 1 1 30 30 PHE CD1 C 13 129.200 0.3 . 1 . . . . 30 PHE CD1 . 15200 1 338 . 1 1 30 30 PHE CD2 C 13 128.500 0.3 . 1 . . . . 30 PHE CD2 . 15200 1 339 . 1 1 30 30 PHE CE1 C 13 128.800 0.3 . 1 . . . . 30 PHE CE1 . 15200 1 340 . 1 1 30 30 PHE CE2 C 13 128.300 0.3 . 1 . . . . 30 PHE CE2 . 15200 1 341 . 1 1 30 30 PHE CG C 13 136.200 0.3 . 1 . . . . 30 PHE CG . 15200 1 342 . 1 1 30 30 PHE CZ C 13 126.300 0.3 . 1 . . . . 30 PHE CZ . 15200 1 343 . 1 1 30 30 PHE N N 15 115.500 0.3 . 1 . . . . 30 PHE N . 15200 1 344 . 1 1 31 31 VAL H H 1 9.140 0.02 . 1 . . . . 31 VAL H . 15200 1 345 . 1 1 31 31 VAL HA H 1 4.590 0.02 . 1 . . . . 31 VAL HA . 15200 1 346 . 1 1 31 31 VAL HB H 1 1.890 0.02 . 1 . . . . 31 VAL HB . 15200 1 347 . 1 1 31 31 VAL HG11 H 1 0.800 0.02 . 1 . . . . 31 VAL HG1 . 15200 1 348 . 1 1 31 31 VAL HG12 H 1 0.800 0.02 . 1 . . . . 31 VAL HG1 . 15200 1 349 . 1 1 31 31 VAL HG13 H 1 0.800 0.02 . 1 . . . . 31 VAL HG1 . 15200 1 350 . 1 1 31 31 VAL HG21 H 1 1.140 0.02 . 1 . . . . 31 VAL HG2 . 15200 1 351 . 1 1 31 31 VAL HG22 H 1 1.140 0.02 . 1 . . . . 31 VAL HG2 . 15200 1 352 . 1 1 31 31 VAL HG23 H 1 1.140 0.02 . 1 . . . . 31 VAL HG2 . 15200 1 353 . 1 1 31 31 VAL C C 13 172.500 0.3 . 1 . . . . 31 VAL C . 15200 1 354 . 1 1 31 31 VAL CA C 13 59.900 0.3 . 1 . . . . 31 VAL CA . 15200 1 355 . 1 1 31 31 VAL CB C 13 29.500 0.3 . 1 . . . . 31 VAL CB . 15200 1 356 . 1 1 31 31 VAL CG1 C 13 24.200 0.3 . 1 . . . . 31 VAL CG1 . 15200 1 357 . 1 1 31 31 VAL CG2 C 13 18.000 0.3 . 1 . . . . 31 VAL CG2 . 15200 1 358 . 1 1 31 31 VAL N N 15 124.900 0.3 . 1 . . . . 31 VAL N . 15200 1 359 . 1 1 32 32 VAL H H 1 8.800 0.02 . 1 . . . . 32 VAL H . 15200 1 360 . 1 1 32 32 VAL HA H 1 4.740 0.02 . 1 . . . . 32 VAL HA . 15200 1 361 . 1 1 32 32 VAL HB H 1 1.810 0.02 . 1 . . . . 32 VAL HB . 15200 1 362 . 1 1 32 32 VAL HG11 H 1 0.610 0.02 . 1 . . . . 32 VAL HG1 . 15200 1 363 . 1 1 32 32 VAL HG12 H 1 0.610 0.02 . 1 . . . . 32 VAL HG1 . 15200 1 364 . 1 1 32 32 VAL HG13 H 1 0.610 0.02 . 1 . . . . 32 VAL HG1 . 15200 1 365 . 1 1 32 32 VAL HG21 H 1 0.670 0.02 . 1 . . . . 32 VAL HG2 . 15200 1 366 . 1 1 32 32 VAL HG22 H 1 0.670 0.02 . 1 . . . . 32 VAL HG2 . 15200 1 367 . 1 1 32 32 VAL HG23 H 1 0.670 0.02 . 1 . . . . 32 VAL HG2 . 15200 1 368 . 1 1 32 32 VAL C C 13 172.800 0.3 . 1 . . . . 32 VAL C . 15200 1 369 . 1 1 32 32 VAL CA C 13 58.700 0.3 . 1 . . . . 32 VAL CA . 15200 1 370 . 1 1 32 32 VAL CB C 13 29.700 0.3 . 1 . . . . 32 VAL CB . 15200 1 371 . 1 1 32 32 VAL CG1 C 13 18.800 0.3 . 1 . . . . 32 VAL CG1 . 15200 1 372 . 1 1 32 32 VAL CG2 C 13 17.600 0.3 . 1 . . . . 32 VAL CG2 . 15200 1 373 . 1 1 32 32 VAL N N 15 128.400 0.3 . 1 . . . . 32 VAL N . 15200 1 374 . 1 1 33 33 VAL H H 1 9.610 0.02 . 1 . . . . 33 VAL H . 15200 1 375 . 1 1 33 33 VAL HA H 1 4.720 0.02 . 1 . . . . 33 VAL HA . 15200 1 376 . 1 1 33 33 VAL HB H 1 1.850 0.02 . 1 . . . . 33 VAL HB . 15200 1 377 . 1 1 33 33 VAL HG11 H 1 0.750 0.02 . 1 . . . . 33 VAL HG1 . 15200 1 378 . 1 1 33 33 VAL HG12 H 1 0.750 0.02 . 1 . . . . 33 VAL HG1 . 15200 1 379 . 1 1 33 33 VAL HG13 H 1 0.750 0.02 . 1 . . . . 33 VAL HG1 . 15200 1 380 . 1 1 33 33 VAL HG21 H 1 0.610 0.02 . 1 . . . . 33 VAL HG2 . 15200 1 381 . 1 1 33 33 VAL HG22 H 1 0.610 0.02 . 1 . . . . 33 VAL HG2 . 15200 1 382 . 1 1 33 33 VAL HG23 H 1 0.610 0.02 . 1 . . . . 33 VAL HG2 . 15200 1 383 . 1 1 33 33 VAL C C 13 172.400 0.3 . 1 . . . . 33 VAL C . 15200 1 384 . 1 1 33 33 VAL CA C 13 57.900 0.3 . 1 . . . . 33 VAL CA . 15200 1 385 . 1 1 33 33 VAL CB C 13 32.300 0.3 . 1 . . . . 33 VAL CB . 15200 1 386 . 1 1 33 33 VAL CG1 C 13 19.400 0.3 . 1 . . . . 33 VAL CG1 . 15200 1 387 . 1 1 33 33 VAL CG2 C 13 18.600 0.3 . 1 . . . . 33 VAL CG2 . 15200 1 388 . 1 1 33 33 VAL N N 15 128.500 0.3 . 1 . . . . 33 VAL N . 15200 1 389 . 1 1 34 34 ASP H H 1 8.320 0.02 . 1 . . . . 34 ASP H . 15200 1 390 . 1 1 34 34 ASP HA H 1 4.860 0.02 . 1 . . . . 34 ASP HA . 15200 1 391 . 1 1 34 34 ASP HB2 H 1 2.970 0.02 . 2 . . . . 34 ASP HB2 . 15200 1 392 . 1 1 34 34 ASP HB3 H 1 2.530 0.02 . 2 . . . . 34 ASP HB3 . 15200 1 393 . 1 1 34 34 ASP C C 13 173.800 0.3 . 1 . . . . 34 ASP C . 15200 1 394 . 1 1 34 34 ASP CA C 13 50.400 0.3 . 1 . . . . 34 ASP CA . 15200 1 395 . 1 1 34 34 ASP CB C 13 39.300 0.3 . 1 . . . . 34 ASP CB . 15200 1 396 . 1 1 34 34 ASP CG C 13 177.300 0.3 . 1 . . . . 34 ASP CG . 15200 1 397 . 1 1 34 34 ASP N N 15 126.300 0.3 . 1 . . . . 34 ASP N . 15200 1 398 . 1 1 35 35 ALA H H 1 8.830 0.02 . 1 . . . . 35 ALA H . 15200 1 399 . 1 1 35 35 ALA HA H 1 3.870 0.02 . 1 . . . . 35 ALA HA . 15200 1 400 . 1 1 35 35 ALA HB1 H 1 1.460 0.02 . 1 . . . . 35 ALA HB . 15200 1 401 . 1 1 35 35 ALA HB2 H 1 1.460 0.02 . 1 . . . . 35 ALA HB . 15200 1 402 . 1 1 35 35 ALA HB3 H 1 1.460 0.02 . 1 . . . . 35 ALA HB . 15200 1 403 . 1 1 35 35 ALA C C 13 174.700 0.3 . 1 . . . . 35 ALA C . 15200 1 404 . 1 1 35 35 ALA CA C 13 52.100 0.3 . 1 . . . . 35 ALA CA . 15200 1 405 . 1 1 35 35 ALA CB C 13 16.800 0.3 . 1 . . . . 35 ALA CB . 15200 1 406 . 1 1 35 35 ALA N N 15 129.000 0.3 . 1 . . . . 35 ALA N . 15200 1 407 . 1 1 36 36 ALA H H 1 8.380 0.02 . 1 . . . . 36 ALA H . 15200 1 408 . 1 1 36 36 ALA HA H 1 4.170 0.02 . 1 . . . . 36 ALA HA . 15200 1 409 . 1 1 36 36 ALA HB1 H 1 1.470 0.02 . 1 . . . . 36 ALA HB . 15200 1 410 . 1 1 36 36 ALA HB2 H 1 1.470 0.02 . 1 . . . . 36 ALA HB . 15200 1 411 . 1 1 36 36 ALA HB3 H 1 1.470 0.02 . 1 . . . . 36 ALA HB . 15200 1 412 . 1 1 36 36 ALA C C 13 176.900 0.3 . 1 . . . . 36 ALA C . 15200 1 413 . 1 1 36 36 ALA CA C 13 51.700 0.3 . 1 . . . . 36 ALA CA . 15200 1 414 . 1 1 36 36 ALA CB C 13 16.500 0.3 . 1 . . . . 36 ALA CB . 15200 1 415 . 1 1 36 36 ALA N N 15 116.600 0.3 . 1 . . . . 36 ALA N . 15200 1 416 . 1 1 37 37 THR H H 1 7.260 0.02 . 1 . . . . 37 THR H . 15200 1 417 . 1 1 37 37 THR HA H 1 4.320 0.02 . 1 . . . . 37 THR HA . 15200 1 418 . 1 1 37 37 THR HB H 1 4.330 0.02 . 1 . . . . 37 THR HB . 15200 1 419 . 1 1 37 37 THR HG21 H 1 1.120 0.02 . 1 . . . . 37 THR HG2 . 15200 1 420 . 1 1 37 37 THR HG22 H 1 1.120 0.02 . 1 . . . . 37 THR HG2 . 15200 1 421 . 1 1 37 37 THR HG23 H 1 1.120 0.02 . 1 . . . . 37 THR HG2 . 15200 1 422 . 1 1 37 37 THR C C 13 173.100 0.3 . 1 . . . . 37 THR C . 15200 1 423 . 1 1 37 37 THR CA C 13 58.400 0.3 . 1 . . . . 37 THR CA . 15200 1 424 . 1 1 37 37 THR CB C 13 68.600 0.3 . 1 . . . . 37 THR CB . 15200 1 425 . 1 1 37 37 THR CG2 C 13 18.500 0.3 . 1 . . . . 37 THR CG2 . 15200 1 426 . 1 1 37 37 THR N N 15 104.200 0.3 . 1 . . . . 37 THR N . 15200 1 427 . 1 1 38 38 MET H H 1 8.620 0.02 . 1 . . . . 38 MET H . 15200 1 428 . 1 1 38 38 MET HA H 1 3.990 0.02 . 1 . . . . 38 MET HA . 15200 1 429 . 1 1 38 38 MET HB2 H 1 2.510 0.02 . 2 . . . . 38 MET HB2 . 15200 1 430 . 1 1 38 38 MET HB3 H 1 2.210 0.02 . 2 . . . . 38 MET HB3 . 15200 1 431 . 1 1 38 38 MET HG2 H 1 2.680 0.02 . 2 . . . . 38 MET HG2 . 15200 1 432 . 1 1 38 38 MET HG3 H 1 2.390 0.02 . 2 . . . . 38 MET HG3 . 15200 1 433 . 1 1 38 38 MET C C 13 171.900 0.3 . 1 . . . . 38 MET C . 15200 1 434 . 1 1 38 38 MET CA C 13 52.800 0.3 . 1 . . . . 38 MET CA . 15200 1 435 . 1 1 38 38 MET CB C 13 25.200 0.3 . 1 . . . . 38 MET CB . 15200 1 436 . 1 1 38 38 MET CE C 13 14.200 0.3 . 1 . . . . 38 MET CE . 15200 1 437 . 1 1 38 38 MET CG C 13 30.200 0.3 . 1 . . . . 38 MET CG . 15200 1 438 . 1 1 38 38 MET N N 15 117.400 0.3 . 1 . . . . 38 MET N . 15200 1 439 . 1 1 39 39 ALA H H 1 7.650 0.02 . 1 . . . . 39 ALA H . 15200 1 440 . 1 1 39 39 ALA HA H 1 4.200 0.02 . 1 . . . . 39 ALA HA . 15200 1 441 . 1 1 39 39 ALA HB1 H 1 1.340 0.02 . 1 . . . . 39 ALA HB . 15200 1 442 . 1 1 39 39 ALA HB2 H 1 1.340 0.02 . 1 . . . . 39 ALA HB . 15200 1 443 . 1 1 39 39 ALA HB3 H 1 1.340 0.02 . 1 . . . . 39 ALA HB . 15200 1 444 . 1 1 39 39 ALA C C 13 174.100 0.3 . 1 . . . . 39 ALA C . 15200 1 445 . 1 1 39 39 ALA CA C 13 50.200 0.3 . 1 . . . . 39 ALA CA . 15200 1 446 . 1 1 39 39 ALA CB C 13 16.600 0.3 . 1 . . . . 39 ALA CB . 15200 1 447 . 1 1 39 39 ALA N N 15 121.700 0.3 . 1 . . . . 39 ALA N . 15200 1 448 . 1 1 40 40 ALA H H 1 8.350 0.02 . 1 . . . . 40 ALA H . 15200 1 449 . 1 1 40 40 ALA HA H 1 5.370 0.02 . 1 . . . . 40 ALA HA . 15200 1 450 . 1 1 40 40 ALA HB1 H 1 1.220 0.02 . 1 . . . . 40 ALA HB . 15200 1 451 . 1 1 40 40 ALA HB2 H 1 1.220 0.02 . 1 . . . . 40 ALA HB . 15200 1 452 . 1 1 40 40 ALA HB3 H 1 1.220 0.02 . 1 . . . . 40 ALA HB . 15200 1 453 . 1 1 40 40 ALA C C 13 173.700 0.3 . 1 . . . . 40 ALA C . 15200 1 454 . 1 1 40 40 ALA CA C 13 47.900 0.3 . 1 . . . . 40 ALA CA . 15200 1 455 . 1 1 40 40 ALA CB C 13 20.000 0.3 . 1 . . . . 40 ALA CB . 15200 1 456 . 1 1 40 40 ALA N N 15 124.000 0.3 . 1 . . . . 40 ALA N . 15200 1 457 . 1 1 41 41 GLU H H 1 8.840 0.02 . 1 . . . . 41 GLU H . 15200 1 458 . 1 1 41 41 GLU HA H 1 4.630 0.02 . 1 . . . . 41 GLU HA . 15200 1 459 . 1 1 41 41 GLU HB2 H 1 2.040 0.02 . 2 . . . . 41 GLU HB2 . 15200 1 460 . 1 1 41 41 GLU HB3 H 1 1.860 0.02 . 2 . . . . 41 GLU HB3 . 15200 1 461 . 1 1 41 41 GLU HG2 H 1 2.160 0.02 . 2 . . . . 41 GLU HG2 . 15200 1 462 . 1 1 41 41 GLU HG3 H 1 2.160 0.02 . 2 . . . . 41 GLU HG3 . 15200 1 463 . 1 1 41 41 GLU C C 13 172.200 0.3 . 1 . . . . 41 GLU C . 15200 1 464 . 1 1 41 41 GLU CA C 13 51.700 0.3 . 1 . . . . 41 GLU CA . 15200 1 465 . 1 1 41 41 GLU CB C 13 30.900 0.3 . 1 . . . . 41 GLU CB . 15200 1 466 . 1 1 41 41 GLU CD C 13 180.900 0.3 . 1 . . . . 41 GLU CD . 15200 1 467 . 1 1 41 41 GLU CG C 13 33.200 0.3 . 1 . . . . 41 GLU CG . 15200 1 468 . 1 1 41 41 GLU N N 15 121.700 0.3 . 1 . . . . 41 GLU N . 15200 1 469 . 1 1 42 42 TYR H H 1 8.910 0.02 . 1 . . . . 42 TYR H . 15200 1 470 . 1 1 42 42 TYR HA H 1 5.390 0.02 . 1 . . . . 42 TYR HA . 15200 1 471 . 1 1 42 42 TYR HB2 H 1 2.870 0.02 . 2 . . . . 42 TYR HB2 . 15200 1 472 . 1 1 42 42 TYR HB3 H 1 2.800 0.02 . 2 . . . . 42 TYR HB3 . 15200 1 473 . 1 1 42 42 TYR HD1 H 1 6.730 0.02 . 3 . . . . 42 TYR HD1 . 15200 1 474 . 1 1 42 42 TYR HD2 H 1 6.730 0.02 . 3 . . . . 42 TYR HD2 . 15200 1 475 . 1 1 42 42 TYR HE1 H 1 6.190 0.02 . 3 . . . . 42 TYR HE1 . 15200 1 476 . 1 1 42 42 TYR HE2 H 1 6.190 0.02 . 3 . . . . 42 TYR HE2 . 15200 1 477 . 1 1 42 42 TYR C C 13 171.600 0.3 . 1 . . . . 42 TYR C . 15200 1 478 . 1 1 42 42 TYR CA C 13 54.500 0.3 . 1 . . . . 42 TYR CA . 15200 1 479 . 1 1 42 42 TYR CB C 13 38.200 0.3 . 1 . . . . 42 TYR CB . 15200 1 480 . 1 1 42 42 TYR CD1 C 13 130.600 0.3 . 1 . . . . 42 TYR CD1 . 15200 1 481 . 1 1 42 42 TYR CD2 C 13 130.000 0.3 . 1 . . . . 42 TYR CD2 . 15200 1 482 . 1 1 42 42 TYR CE1 C 13 114.700 0.3 . 1 . . . . 42 TYR CE1 . 15200 1 483 . 1 1 42 42 TYR CE2 C 13 114.300 0.3 . 1 . . . . 42 TYR CE2 . 15200 1 484 . 1 1 42 42 TYR CG C 13 125.900 0.3 . 1 . . . . 42 TYR CG . 15200 1 485 . 1 1 42 42 TYR CZ C 13 155.700 0.3 . 1 . . . . 42 TYR CZ . 15200 1 486 . 1 1 42 42 TYR N N 15 124.300 0.3 . 1 . . . . 42 TYR N . 15200 1 487 . 1 1 43 43 VAL H H 1 8.640 0.02 . 1 . . . . 43 VAL H . 15200 1 488 . 1 1 43 43 VAL HA H 1 3.920 0.02 . 1 . . . . 43 VAL HA . 15200 1 489 . 1 1 43 43 VAL HB H 1 1.790 0.02 . 1 . . . . 43 VAL HB . 15200 1 490 . 1 1 43 43 VAL HG11 H 1 0.750 0.02 . 1 . . . . 43 VAL HG1 . 15200 1 491 . 1 1 43 43 VAL HG12 H 1 0.750 0.02 . 1 . . . . 43 VAL HG1 . 15200 1 492 . 1 1 43 43 VAL HG13 H 1 0.750 0.02 . 1 . . . . 43 VAL HG1 . 15200 1 493 . 1 1 43 43 VAL HG21 H 1 0.760 0.02 . 1 . . . . 43 VAL HG2 . 15200 1 494 . 1 1 43 43 VAL HG22 H 1 0.760 0.02 . 1 . . . . 43 VAL HG2 . 15200 1 495 . 1 1 43 43 VAL HG23 H 1 0.760 0.02 . 1 . . . . 43 VAL HG2 . 15200 1 496 . 1 1 43 43 VAL C C 13 170.800 0.3 . 1 . . . . 43 VAL C . 15200 1 497 . 1 1 43 43 VAL CA C 13 57.900 0.3 . 1 . . . . 43 VAL CA . 15200 1 498 . 1 1 43 43 VAL CB C 13 31.600 0.3 . 1 . . . . 43 VAL CB . 15200 1 499 . 1 1 43 43 VAL CG1 C 13 18.000 0.3 . 1 . . . . 43 VAL CG1 . 15200 1 500 . 1 1 43 43 VAL CG2 C 13 17.600 0.3 . 1 . . . . 43 VAL CG2 . 15200 1 501 . 1 1 43 43 VAL N N 15 130.300 0.3 . 1 . . . . 43 VAL N . 15200 1 502 . 1 1 44 44 ASP H H 1 8.260 0.02 . 1 . . . . 44 ASP H . 15200 1 503 . 1 1 44 44 ASP HA H 1 3.980 0.02 . 1 . . . . 44 ASP HA . 15200 1 504 . 1 1 44 44 ASP HB2 H 1 2.630 0.02 . 2 . . . . 44 ASP HB2 . 15200 1 505 . 1 1 44 44 ASP HB3 H 1 2.630 0.02 . 2 . . . . 44 ASP HB3 . 15200 1 506 . 1 1 44 44 ASP C C 13 172.800 0.3 . 1 . . . . 44 ASP C . 15200 1 507 . 1 1 44 44 ASP CA C 13 52.300 0.3 . 1 . . . . 44 ASP CA . 15200 1 508 . 1 1 44 44 ASP CB C 13 40.000 0.3 . 1 . . . . 44 ASP CB . 15200 1 509 . 1 1 44 44 ASP CG C 13 177.200 0.3 . 1 . . . . 44 ASP CG . 15200 1 510 . 1 1 44 44 ASP N N 15 125.800 0.3 . 1 . . . . 44 ASP N . 15200 1 511 . 1 1 45 45 ASN H H 1 8.540 0.02 . 1 . . . . 45 ASN H . 15200 1 512 . 1 1 45 45 ASN HA H 1 4.920 0.02 . 1 . . . . 45 ASN HA . 15200 1 513 . 1 1 45 45 ASN HB2 H 1 2.460 0.02 . 2 . . . . 45 ASN HB2 . 15200 1 514 . 1 1 45 45 ASN HB3 H 1 1.690 0.02 . 2 . . . . 45 ASN HB3 . 15200 1 515 . 1 1 45 45 ASN HD21 H 1 7.340 0.02 . 1 . . . . 45 ASN HD21 . 15200 1 516 . 1 1 45 45 ASN HD22 H 1 5.840 0.02 . 1 . . . . 45 ASN HD22 . 15200 1 517 . 1 1 45 45 ASN C C 13 173.600 0.3 . 1 . . . . 45 ASN C . 15200 1 518 . 1 1 45 45 ASN CA C 13 49.500 0.3 . 1 . . . . 45 ASN CA . 15200 1 519 . 1 1 45 45 ASN CB C 13 36.600 0.3 . 1 . . . . 45 ASN CB . 15200 1 520 . 1 1 45 45 ASN CG C 13 173.600 0.3 . 1 . . . . 45 ASN CG . 15200 1 521 . 1 1 45 45 ASN N N 15 123.700 0.3 . 1 . . . . 45 ASN N . 15200 1 522 . 1 1 45 45 ASN ND2 N 15 110.400 0.3 . 1 . . . . 45 ASN ND2 . 15200 1 523 . 1 1 46 46 GLY H H 1 8.610 0.02 . 1 . . . . 46 GLY H . 15200 1 524 . 1 1 46 46 GLY HA2 H 1 3.830 0.02 . 2 . . . . 46 GLY HA2 . 15200 1 525 . 1 1 46 46 GLY HA3 H 1 3.770 0.02 . 2 . . . . 46 GLY HA3 . 15200 1 526 . 1 1 46 46 GLY C C 13 172.900 0.3 . 1 . . . . 46 GLY C . 15200 1 527 . 1 1 46 46 GLY CA C 13 44.200 0.3 . 1 . . . . 46 GLY CA . 15200 1 528 . 1 1 46 46 GLY N N 15 110.000 0.3 . 1 . . . . 46 GLY N . 15200 1 529 . 1 1 47 47 ALA H H 1 8.230 0.02 . 1 . . . . 47 ALA H . 15200 1 530 . 1 1 47 47 ALA HA H 1 4.100 0.02 . 1 . . . . 47 ALA HA . 15200 1 531 . 1 1 47 47 ALA HB1 H 1 1.320 0.02 . 1 . . . . 47 ALA HB . 15200 1 532 . 1 1 47 47 ALA HB2 H 1 1.320 0.02 . 1 . . . . 47 ALA HB . 15200 1 533 . 1 1 47 47 ALA HB3 H 1 1.320 0.02 . 1 . . . . 47 ALA HB . 15200 1 534 . 1 1 47 47 ALA C C 13 176.500 0.3 . 1 . . . . 47 ALA C . 15200 1 535 . 1 1 47 47 ALA CA C 13 51.000 0.3 . 1 . . . . 47 ALA CA . 15200 1 536 . 1 1 47 47 ALA CB C 13 15.800 0.3 . 1 . . . . 47 ALA CB . 15200 1 537 . 1 1 47 47 ALA N N 15 122.600 0.3 . 1 . . . . 47 ALA N . 15200 1 538 . 1 1 48 48 SER H H 1 7.750 0.02 . 1 . . . . 48 SER H . 15200 1 539 . 1 1 48 48 SER HA H 1 4.130 0.02 . 1 . . . . 48 SER HA . 15200 1 540 . 1 1 48 48 SER HB2 H 1 3.950 0.02 . 2 . . . . 48 SER HB2 . 15200 1 541 . 1 1 48 48 SER HB3 H 1 3.820 0.02 . 2 . . . . 48 SER HB3 . 15200 1 542 . 1 1 48 48 SER C C 13 172.500 0.3 . 1 . . . . 48 SER C . 15200 1 543 . 1 1 48 48 SER CA C 13 57.100 0.3 . 1 . . . . 48 SER CA . 15200 1 544 . 1 1 48 48 SER CB C 13 60.500 0.3 . 1 . . . . 48 SER CB . 15200 1 545 . 1 1 48 48 SER N N 15 113.300 0.3 . 1 . . . . 48 SER N . 15200 1 546 . 1 1 49 49 GLN H H 1 7.710 0.02 . 1 . . . . 49 GLN H . 15200 1 547 . 1 1 49 49 GLN HA H 1 4.000 0.02 . 1 . . . . 49 GLN HA . 15200 1 548 . 1 1 49 49 GLN HB2 H 1 2.050 0.02 . 2 . . . . 49 GLN HB2 . 15200 1 549 . 1 1 49 49 GLN HB3 H 1 2.050 0.02 . 2 . . . . 49 GLN HB3 . 15200 1 550 . 1 1 49 49 GLN HE21 H 1 7.280 0.02 . 1 . . . . 49 GLN HE21 . 15200 1 551 . 1 1 49 49 GLN HE22 H 1 6.680 0.02 . 1 . . . . 49 GLN HE22 . 15200 1 552 . 1 1 49 49 GLN HG2 H 1 2.330 0.02 . 2 . . . . 49 GLN HG2 . 15200 1 553 . 1 1 49 49 GLN HG3 H 1 2.140 0.02 . 2 . . . . 49 GLN HG3 . 15200 1 554 . 1 1 49 49 GLN C C 13 174.000 0.3 . 1 . . . . 49 GLN C . 15200 1 555 . 1 1 49 49 GLN CA C 13 54.500 0.3 . 1 . . . . 49 GLN CA . 15200 1 556 . 1 1 49 49 GLN CB C 13 26.300 0.3 . 1 . . . . 49 GLN CB . 15200 1 557 . 1 1 49 49 GLN CD C 13 177.300 0.3 . 1 . . . . 49 GLN CD . 15200 1 558 . 1 1 49 49 GLN CG C 13 31.400 0.3 . 1 . . . . 49 GLN CG . 15200 1 559 . 1 1 49 49 GLN N N 15 118.000 0.3 . 1 . . . . 49 GLN N . 15200 1 560 . 1 1 49 49 GLN NE2 N 15 112.200 0.3 . 1 . . . . 49 GLN NE2 . 15200 1 561 . 1 1 50 50 THR H H 1 7.570 0.02 . 1 . . . . 50 THR H . 15200 1 562 . 1 1 50 50 THR HA H 1 4.170 0.02 . 1 . . . . 50 THR HA . 15200 1 563 . 1 1 50 50 THR HB H 1 4.250 0.02 . 1 . . . . 50 THR HB . 15200 1 564 . 1 1 50 50 THR HG21 H 1 1.130 0.02 . 1 . . . . 50 THR HG2 . 15200 1 565 . 1 1 50 50 THR HG22 H 1 1.130 0.02 . 1 . . . . 50 THR HG2 . 15200 1 566 . 1 1 50 50 THR HG23 H 1 1.130 0.02 . 1 . . . . 50 THR HG2 . 15200 1 567 . 1 1 50 50 THR C C 13 171.900 0.3 . 1 . . . . 50 THR C . 15200 1 568 . 1 1 50 50 THR CA C 13 59.200 0.3 . 1 . . . . 50 THR CA . 15200 1 569 . 1 1 50 50 THR CB C 13 66.600 0.3 . 1 . . . . 50 THR CB . 15200 1 570 . 1 1 50 50 THR CG2 C 13 18.500 0.3 . 1 . . . . 50 THR CG2 . 15200 1 571 . 1 1 50 50 THR N N 15 110.000 0.3 . 1 . . . . 50 THR N . 15200 1 572 . 1 1 51 51 LEU H H 1 7.530 0.02 . 1 . . . . 51 LEU H . 15200 1 573 . 1 1 51 51 LEU HA H 1 4.320 0.02 . 1 . . . . 51 LEU HA . 15200 1 574 . 1 1 51 51 LEU HB2 H 1 1.590 0.02 . 2 . . . . 51 LEU HB2 . 15200 1 575 . 1 1 51 51 LEU HB3 H 1 1.450 0.02 . 2 . . . . 51 LEU HB3 . 15200 1 576 . 1 1 51 51 LEU HD11 H 1 0.820 0.02 . 1 . . . . 51 LEU HD1 . 15200 1 577 . 1 1 51 51 LEU HD12 H 1 0.820 0.02 . 1 . . . . 51 LEU HD1 . 15200 1 578 . 1 1 51 51 LEU HD13 H 1 0.820 0.02 . 1 . . . . 51 LEU HD1 . 15200 1 579 . 1 1 51 51 LEU HD21 H 1 0.790 0.02 . 1 . . . . 51 LEU HD2 . 15200 1 580 . 1 1 51 51 LEU HD22 H 1 0.790 0.02 . 1 . . . . 51 LEU HD2 . 15200 1 581 . 1 1 51 51 LEU HD23 H 1 0.790 0.02 . 1 . . . . 51 LEU HD2 . 15200 1 582 . 1 1 51 51 LEU HG H 1 1.650 0.02 . 1 . . . . 51 LEU HG . 15200 1 583 . 1 1 51 51 LEU C C 13 175.100 0.3 . 1 . . . . 51 LEU C . 15200 1 584 . 1 1 51 51 LEU CA C 13 52.300 0.3 . 1 . . . . 51 LEU CA . 15200 1 585 . 1 1 51 51 LEU CB C 13 39.300 0.3 . 1 . . . . 51 LEU CB . 15200 1 586 . 1 1 51 51 LEU CD1 C 13 23.700 0.3 . 1 . . . . 51 LEU CD1 . 15200 1 587 . 1 1 51 51 LEU CD2 C 13 22.300 0.3 . 1 . . . . 51 LEU CD2 . 15200 1 588 . 1 1 51 51 LEU CG C 13 20.100 0.3 . 1 . . . . 51 LEU CG . 15200 1 589 . 1 1 51 51 LEU N N 15 122.600 0.3 . 1 . . . . 51 LEU N . 15200 1 590 . 1 1 52 52 SER HA H 1 4.220 0.02 . 1 . . . . 52 SER HA . 15200 1 591 . 1 1 52 52 SER HB2 H 1 3.890 0.02 . 2 . . . . 52 SER HB2 . 15200 1 592 . 1 1 52 52 SER HB3 H 1 3.830 0.02 . 2 . . . . 52 SER HB3 . 15200 1 593 . 1 1 52 52 SER C C 13 171.800 0.3 . 1 . . . . 52 SER C . 15200 1 594 . 1 1 52 52 SER CA C 13 56.700 0.3 . 1 . . . . 52 SER CA . 15200 1 595 . 1 1 52 52 SER CB C 13 60.400 0.3 . 1 . . . . 52 SER CB . 15200 1 596 . 1 1 52 52 SER N N 15 117.100 0.3 . 1 . . . . 52 SER N . 15200 1 597 . 1 1 53 53 HIS HA H 1 4.600 0.02 . 1 . . . . 53 HIS HA . 15200 1 598 . 1 1 53 53 HIS HB2 H 1 3.110 0.02 . 2 . . . . 53 HIS HB2 . 15200 1 599 . 1 1 53 53 HIS HB3 H 1 3.030 0.02 . 2 . . . . 53 HIS HB3 . 15200 1 600 . 1 1 53 53 HIS HD2 H 1 6.960 0.02 . 1 . . . . 53 HIS HD2 . 15200 1 601 . 1 1 53 53 HIS HE1 H 1 7.760 0.02 . 1 . . . . 53 HIS HE1 . 15200 1 602 . 1 1 53 53 HIS C C 13 172.600 0.3 . 1 . . . . 53 HIS C . 15200 1 603 . 1 1 53 53 HIS CA C 13 53.700 0.3 . 1 . . . . 53 HIS CA . 15200 1 604 . 1 1 53 53 HIS CB C 13 28.100 0.3 . 1 . . . . 53 HIS CB . 15200 1 605 . 1 1 53 53 HIS CD2 C 13 116.900 0.3 . 1 . . . . 53 HIS CD2 . 15200 1 606 . 1 1 53 53 HIS CG C 13 132.100 0.3 . 1 . . . . 53 HIS CG . 15200 1 607 . 1 1 53 53 HIS N N 15 119.100 0.3 . 1 . . . . 53 HIS N . 15200 1 608 . 1 1 53 53 HIS ND1 N 15 221.200 0.3 . 1 . . . . 53 HIS ND1 . 15200 1 609 . 1 1 53 53 HIS NE2 N 15 179.000 0.3 . 1 . . . . 53 HIS NE2 . 15200 1 610 . 1 1 54 54 GLY C C 13 172.400 0.3 . 1 . . . . 54 GLY C . 15200 1 611 . 1 1 54 54 GLY CA C 13 43.000 0.3 . 1 . . . . 54 GLY CA . 15200 1 612 . 1 1 54 54 GLY N N 15 121.000 0.3 . 1 . . . . 54 GLY N . 15200 1 613 . 1 1 55 55 ALA HA H 1 3.940 0.02 . 1 . . . . 55 ALA HA . 15200 1 614 . 1 1 55 55 ALA HB1 H 1 1.430 0.02 . 1 . . . . 55 ALA HB . 15200 1 615 . 1 1 55 55 ALA HB2 H 1 1.430 0.02 . 1 . . . . 55 ALA HB . 15200 1 616 . 1 1 55 55 ALA HB3 H 1 1.430 0.02 . 1 . . . . 55 ALA HB . 15200 1 617 . 1 1 55 55 ALA C C 13 176.300 0.3 . 1 . . . . 55 ALA C . 15200 1 618 . 1 1 55 55 ALA CA C 13 52.100 0.3 . 1 . . . . 55 ALA CA . 15200 1 619 . 1 1 55 55 ALA CB C 13 15.900 0.3 . 1 . . . . 55 ALA CB . 15200 1 620 . 1 1 55 55 ALA N N 15 124.300 0.3 . 1 . . . . 55 ALA N . 15200 1 621 . 1 1 56 56 GLY H H 1 8.600 0.02 . 1 . . . . 56 GLY H . 15200 1 622 . 1 1 56 56 GLY C C 13 172.000 0.3 . 1 . . . . 56 GLY C . 15200 1 623 . 1 1 56 56 GLY CA C 13 44.200 0.3 . 1 . . . . 56 GLY CA . 15200 1 624 . 1 1 56 56 GLY N N 15 106.600 0.3 . 1 . . . . 56 GLY N . 15200 1 625 . 1 1 57 57 ILE H H 1 7.550 0.02 . 1 . . . . 57 ILE H . 15200 1 626 . 1 1 57 57 ILE HA H 1 3.660 0.02 . 1 . . . . 57 ILE HA . 15200 1 627 . 1 1 57 57 ILE HB H 1 1.780 0.02 . 1 . . . . 57 ILE HB . 15200 1 628 . 1 1 57 57 ILE HD11 H 1 0.830 0.02 . 1 . . . . 57 ILE HD1 . 15200 1 629 . 1 1 57 57 ILE HD12 H 1 0.830 0.02 . 1 . . . . 57 ILE HD1 . 15200 1 630 . 1 1 57 57 ILE HD13 H 1 0.830 0.02 . 1 . . . . 57 ILE HD1 . 15200 1 631 . 1 1 57 57 ILE HG12 H 1 1.470 0.02 . 2 . . . . 57 ILE HG12 . 15200 1 632 . 1 1 57 57 ILE HG13 H 1 1.090 0.02 . 2 . . . . 57 ILE HG13 . 15200 1 633 . 1 1 57 57 ILE HG21 H 1 0.790 0.02 . 1 . . . . 57 ILE HG2 . 15200 1 634 . 1 1 57 57 ILE HG22 H 1 0.790 0.02 . 1 . . . . 57 ILE HG2 . 15200 1 635 . 1 1 57 57 ILE HG23 H 1 0.790 0.02 . 1 . . . . 57 ILE HG2 . 15200 1 636 . 1 1 57 57 ILE C C 13 174.900 0.3 . 1 . . . . 57 ILE C . 15200 1 637 . 1 1 57 57 ILE CA C 13 60.800 0.3 . 1 . . . . 57 ILE CA . 15200 1 638 . 1 1 57 57 ILE CB C 13 35.000 0.3 . 1 . . . . 57 ILE CB . 15200 1 639 . 1 1 57 57 ILE CD1 C 13 14.500 0.3 . 1 . . . . 57 ILE CD1 . 15200 1 640 . 1 1 57 57 ILE CG1 C 13 25.200 0.3 . 1 . . . . 57 ILE CG1 . 15200 1 641 . 1 1 57 57 ILE CG2 C 13 10.000 0.3 . 1 . . . . 57 ILE CG2 . 15200 1 642 . 1 1 57 57 ILE N N 15 120.500 0.3 . 1 . . . . 57 ILE N . 15200 1 643 . 1 1 58 58 ASN H H 1 7.970 0.02 . 1 . . . . 58 ASN H . 15200 1 644 . 1 1 58 58 ASN HA H 1 4.280 0.02 . 1 . . . . 58 ASN HA . 15200 1 645 . 1 1 58 58 ASN HB2 H 1 2.800 0.02 . 2 . . . . 58 ASN HB2 . 15200 1 646 . 1 1 58 58 ASN HB3 H 1 2.600 0.02 . 2 . . . . 58 ASN HB3 . 15200 1 647 . 1 1 58 58 ASN HD21 H 1 7.820 0.02 . 1 . . . . 58 ASN HD21 . 15200 1 648 . 1 1 58 58 ASN HD22 H 1 6.840 0.02 . 1 . . . . 58 ASN HD22 . 15200 1 649 . 1 1 58 58 ASN C C 13 174.100 0.3 . 1 . . . . 58 ASN C . 15200 1 650 . 1 1 58 58 ASN CA C 13 53.700 0.3 . 1 . . . . 58 ASN CA . 15200 1 651 . 1 1 58 58 ASN CB C 13 36.600 0.3 . 1 . . . . 58 ASN CB . 15200 1 652 . 1 1 58 58 ASN CG C 13 173.500 0.3 . 1 . . . . 58 ASN CG . 15200 1 653 . 1 1 58 58 ASN N N 15 119.700 0.3 . 1 . . . . 58 ASN N . 15200 1 654 . 1 1 58 58 ASN ND2 N 15 114.800 0.3 . 1 . . . . 58 ASN ND2 . 15200 1 655 . 1 1 59 59 ALA H H 1 8.420 0.02 . 1 . . . . 59 ALA H . 15200 1 656 . 1 1 59 59 ALA HA H 1 3.930 0.02 . 1 . . . . 59 ALA HA . 15200 1 657 . 1 1 59 59 ALA HB1 H 1 1.320 0.02 . 1 . . . . 59 ALA HB . 15200 1 658 . 1 1 59 59 ALA HB2 H 1 1.320 0.02 . 1 . . . . 59 ALA HB . 15200 1 659 . 1 1 59 59 ALA HB3 H 1 1.320 0.02 . 1 . . . . 59 ALA HB . 15200 1 660 . 1 1 59 59 ALA C C 13 176.100 0.3 . 1 . . . . 59 ALA C . 15200 1 661 . 1 1 59 59 ALA CA C 13 52.400 0.3 . 1 . . . . 59 ALA CA . 15200 1 662 . 1 1 59 59 ALA CB C 13 16.400 0.3 . 1 . . . . 59 ALA CB . 15200 1 663 . 1 1 59 59 ALA N N 15 122.200 0.3 . 1 . . . . 59 ALA N . 15200 1 664 . 1 1 60 60 ALA H H 1 8.020 0.02 . 1 . . . . 60 ALA H . 15200 1 665 . 1 1 60 60 ALA HA H 1 3.790 0.02 . 1 . . . . 60 ALA HA . 15200 1 666 . 1 1 60 60 ALA HB1 H 1 1.330 0.02 . 1 . . . . 60 ALA HB . 15200 1 667 . 1 1 60 60 ALA HB2 H 1 1.330 0.02 . 1 . . . . 60 ALA HB . 15200 1 668 . 1 1 60 60 ALA HB3 H 1 1.330 0.02 . 1 . . . . 60 ALA HB . 15200 1 669 . 1 1 60 60 ALA C C 13 176.200 0.3 . 1 . . . . 60 ALA C . 15200 1 670 . 1 1 60 60 ALA CA C 13 52.800 0.3 . 1 . . . . 60 ALA CA . 15200 1 671 . 1 1 60 60 ALA CB C 13 15.400 0.3 . 1 . . . . 60 ALA CB . 15200 1 672 . 1 1 60 60 ALA N N 15 118.400 0.3 . 1 . . . . 60 ALA N . 15200 1 673 . 1 1 61 61 GLN H H 1 7.510 0.02 . 1 . . . . 61 GLN H . 15200 1 674 . 1 1 61 61 GLN HA H 1 3.930 0.02 . 1 . . . . 61 GLN HA . 15200 1 675 . 1 1 61 61 GLN HB2 H 1 2.170 0.02 . 2 . . . . 61 GLN HB2 . 15200 1 676 . 1 1 61 61 GLN HB3 H 1 2.060 0.02 . 2 . . . . 61 GLN HB3 . 15200 1 677 . 1 1 61 61 GLN HE21 H 1 7.220 0.02 . 1 . . . . 61 GLN HE21 . 15200 1 678 . 1 1 61 61 GLN HE22 H 1 6.730 0.02 . 1 . . . . 61 GLN HE22 . 15200 1 679 . 1 1 61 61 GLN HG2 H 1 2.490 0.02 . 2 . . . . 61 GLN HG2 . 15200 1 680 . 1 1 61 61 GLN HG3 H 1 2.340 0.02 . 2 . . . . 61 GLN HG3 . 15200 1 681 . 1 1 61 61 GLN C C 13 176.300 0.3 . 1 . . . . 61 GLN C . 15200 1 682 . 1 1 61 61 GLN CA C 13 55.900 0.3 . 1 . . . . 61 GLN CA . 15200 1 683 . 1 1 61 61 GLN CB C 13 25.300 0.3 . 1 . . . . 61 GLN CB . 15200 1 684 . 1 1 61 61 GLN CD C 13 177.300 0.3 . 1 . . . . 61 GLN CD . 15200 1 685 . 1 1 61 61 GLN CG C 13 31.200 0.3 . 1 . . . . 61 GLN CG . 15200 1 686 . 1 1 61 61 GLN N N 15 116.900 0.3 . 1 . . . . 61 GLN N . 15200 1 687 . 1 1 61 61 GLN NE2 N 15 111.100 0.3 . 1 . . . . 61 GLN NE2 . 15200 1 688 . 1 1 62 62 VAL H H 1 7.890 0.02 . 1 . . . . 62 VAL H . 15200 1 689 . 1 1 62 62 VAL HA H 1 3.420 0.02 . 1 . . . . 62 VAL HA . 15200 1 690 . 1 1 62 62 VAL HB H 1 2.140 0.02 . 1 . . . . 62 VAL HB . 15200 1 691 . 1 1 62 62 VAL HG11 H 1 1.010 0.02 . 1 . . . . 62 VAL HG1 . 15200 1 692 . 1 1 62 62 VAL HG12 H 1 1.010 0.02 . 1 . . . . 62 VAL HG1 . 15200 1 693 . 1 1 62 62 VAL HG13 H 1 1.010 0.02 . 1 . . . . 62 VAL HG1 . 15200 1 694 . 1 1 62 62 VAL HG21 H 1 0.840 0.02 . 1 . . . . 62 VAL HG2 . 15200 1 695 . 1 1 62 62 VAL HG22 H 1 0.840 0.02 . 1 . . . . 62 VAL HG2 . 15200 1 696 . 1 1 62 62 VAL HG23 H 1 0.840 0.02 . 1 . . . . 62 VAL HG2 . 15200 1 697 . 1 1 62 62 VAL C C 13 176.500 0.3 . 1 . . . . 62 VAL C . 15200 1 698 . 1 1 62 62 VAL CA C 13 63.400 0.3 . 1 . . . . 62 VAL CA . 15200 1 699 . 1 1 62 62 VAL CB C 13 29.000 0.3 . 1 . . . . 62 VAL CB . 15200 1 700 . 1 1 62 62 VAL CG1 C 13 19.100 0.3 . 1 . . . . 62 VAL CG1 . 15200 1 701 . 1 1 62 62 VAL CG2 C 13 18.300 0.3 . 1 . . . . 62 VAL CG2 . 15200 1 702 . 1 1 62 62 VAL N N 15 121.500 0.3 . 1 . . . . 62 VAL N . 15200 1 703 . 1 1 63 63 LEU H H 1 8.130 0.02 . 1 . . . . 63 LEU H . 15200 1 704 . 1 1 63 63 LEU HA H 1 3.510 0.02 . 1 . . . . 63 LEU HA . 15200 1 705 . 1 1 63 63 LEU HB2 H 1 1.370 0.02 . 2 . . . . 63 LEU HB2 . 15200 1 706 . 1 1 63 63 LEU HB3 H 1 1.140 0.02 . 2 . . . . 63 LEU HB3 . 15200 1 707 . 1 1 63 63 LEU HD11 H 1 0.170 0.02 . 1 . . . . 63 LEU HD1 . 15200 1 708 . 1 1 63 63 LEU HD12 H 1 0.170 0.02 . 1 . . . . 63 LEU HD1 . 15200 1 709 . 1 1 63 63 LEU HD13 H 1 0.170 0.02 . 1 . . . . 63 LEU HD1 . 15200 1 710 . 1 1 63 63 LEU HD21 H 1 -0.010 0.02 . 1 . . . . 63 LEU HD2 . 15200 1 711 . 1 1 63 63 LEU HD22 H 1 -0.010 0.02 . 1 . . . . 63 LEU HD2 . 15200 1 712 . 1 1 63 63 LEU HD23 H 1 -0.010 0.02 . 1 . . . . 63 LEU HD2 . 15200 1 713 . 1 1 63 63 LEU HG H 1 1.060 0.02 . 1 . . . . 63 LEU HG . 15200 1 714 . 1 1 63 63 LEU C C 13 177.000 0.3 . 1 . . . . 63 LEU C . 15200 1 715 . 1 1 63 63 LEU CA C 13 54.500 0.3 . 1 . . . . 63 LEU CA . 15200 1 716 . 1 1 63 63 LEU CB C 13 38.300 0.3 . 1 . . . . 63 LEU CB . 15200 1 717 . 1 1 63 63 LEU CD1 C 13 21.600 0.3 . 1 . . . . 63 LEU CD1 . 15200 1 718 . 1 1 63 63 LEU CD2 C 13 20.900 0.3 . 1 . . . . 63 LEU CD2 . 15200 1 719 . 1 1 63 63 LEU CG C 13 23.600 0.3 . 1 . . . . 63 LEU CG . 15200 1 720 . 1 1 63 63 LEU N N 15 120.200 0.3 . 1 . . . . 63 LEU N . 15200 1 721 . 1 1 64 64 ALA H H 1 8.220 0.02 . 1 . . . . 64 ALA H . 15200 1 722 . 1 1 64 64 ALA HA H 1 3.980 0.02 . 1 . . . . 64 ALA HA . 15200 1 723 . 1 1 64 64 ALA HB1 H 1 1.400 0.02 . 1 . . . . 64 ALA HB . 15200 1 724 . 1 1 64 64 ALA HB2 H 1 1.400 0.02 . 1 . . . . 64 ALA HB . 15200 1 725 . 1 1 64 64 ALA HB3 H 1 1.400 0.02 . 1 . . . . 64 ALA HB . 15200 1 726 . 1 1 64 64 ALA C C 13 178.400 0.3 . 1 . . . . 64 ALA C . 15200 1 727 . 1 1 64 64 ALA CA C 13 52.500 0.3 . 1 . . . . 64 ALA CA . 15200 1 728 . 1 1 64 64 ALA CB C 13 15.000 0.3 . 1 . . . . 64 ALA CB . 15200 1 729 . 1 1 64 64 ALA N N 15 122.900 0.3 . 1 . . . . 64 ALA N . 15200 1 730 . 1 1 65 65 LYS H H 1 7.680 0.02 . 1 . . . . 65 LYS H . 15200 1 731 . 1 1 65 65 LYS HA H 1 3.990 0.02 . 1 . . . . 65 LYS HA . 15200 1 732 . 1 1 65 65 LYS HB2 H 1 1.910 0.02 . 2 . . . . 65 LYS HB2 . 15200 1 733 . 1 1 65 65 LYS HB3 H 1 1.870 0.02 . 2 . . . . 65 LYS HB3 . 15200 1 734 . 1 1 65 65 LYS HD2 H 1 1.610 0.02 . 2 . . . . 65 LYS HD2 . 15200 1 735 . 1 1 65 65 LYS HD3 H 1 1.460 0.02 . 2 . . . . 65 LYS HD3 . 15200 1 736 . 1 1 65 65 LYS HE2 H 1 2.920 0.02 . 2 . . . . 65 LYS HE2 . 15200 1 737 . 1 1 65 65 LYS HE3 H 1 2.920 0.02 . 2 . . . . 65 LYS HE3 . 15200 1 738 . 1 1 65 65 LYS HG2 H 1 1.530 0.02 . 2 . . . . 65 LYS HG2 . 15200 1 739 . 1 1 65 65 LYS HG3 H 1 1.450 0.02 . 2 . . . . 65 LYS HG3 . 15200 1 740 . 1 1 65 65 LYS C C 13 175.300 0.3 . 1 . . . . 65 LYS C . 15200 1 741 . 1 1 65 65 LYS CA C 13 55.600 0.3 . 1 . . . . 65 LYS CA . 15200 1 742 . 1 1 65 65 LYS CB C 13 29.300 0.3 . 1 . . . . 65 LYS CB . 15200 1 743 . 1 1 65 65 LYS CD C 13 26.200 0.3 . 1 . . . . 65 LYS CD . 15200 1 744 . 1 1 65 65 LYS CE C 13 39.200 0.3 . 1 . . . . 65 LYS CE . 15200 1 745 . 1 1 65 65 LYS CG C 13 22.200 0.3 . 1 . . . . 65 LYS CG . 15200 1 746 . 1 1 65 65 LYS N N 15 118.300 0.3 . 1 . . . . 65 LYS N . 15200 1 747 . 1 1 66 66 SER H H 1 7.530 0.02 . 1 . . . . 66 SER H . 15200 1 748 . 1 1 66 66 SER HA H 1 4.250 0.02 . 1 . . . . 66 SER HA . 15200 1 749 . 1 1 66 66 SER HB2 H 1 3.840 0.02 . 2 . . . . 66 SER HB2 . 15200 1 750 . 1 1 66 66 SER HB3 H 1 3.840 0.02 . 2 . . . . 66 SER HB3 . 15200 1 751 . 1 1 66 66 SER C C 13 171.800 0.3 . 1 . . . . 66 SER C . 15200 1 752 . 1 1 66 66 SER CA C 13 57.200 0.3 . 1 . . . . 66 SER CA . 15200 1 753 . 1 1 66 66 SER CB C 13 61.800 0.3 . 1 . . . . 66 SER CB . 15200 1 754 . 1 1 66 66 SER N N 15 113.600 0.3 . 1 . . . . 66 SER N . 15200 1 755 . 1 1 67 67 GLY H H 1 7.590 0.02 . 1 . . . . 67 GLY H . 15200 1 756 . 1 1 67 67 GLY HA2 H 1 3.670 0.02 . 2 . . . . 67 GLY HA2 . 15200 1 757 . 1 1 67 67 GLY HA3 H 1 3.970 0.02 . 2 . . . . 67 GLY HA3 . 15200 1 758 . 1 1 67 67 GLY C C 13 171.000 0.3 . 1 . . . . 67 GLY C . 15200 1 759 . 1 1 67 67 GLY CA C 13 43.000 0.3 . 1 . . . . 67 GLY CA . 15200 1 760 . 1 1 67 67 GLY N N 15 109.000 0.3 . 1 . . . . 67 GLY N . 15200 1 761 . 1 1 68 68 ALA H H 1 7.430 0.02 . 1 . . . . 68 ALA H . 15200 1 762 . 1 1 68 68 ALA HA H 1 3.980 0.02 . 1 . . . . 68 ALA HA . 15200 1 763 . 1 1 68 68 ALA HB1 H 1 0.970 0.02 . 1 . . . . 68 ALA HB . 15200 1 764 . 1 1 68 68 ALA HB2 H 1 0.970 0.02 . 1 . . . . 68 ALA HB . 15200 1 765 . 1 1 68 68 ALA HB3 H 1 0.970 0.02 . 1 . . . . 68 ALA HB . 15200 1 766 . 1 1 68 68 ALA C C 13 173.200 0.3 . 1 . . . . 68 ALA C . 15200 1 767 . 1 1 68 68 ALA CA C 13 49.200 0.3 . 1 . . . . 68 ALA CA . 15200 1 768 . 1 1 68 68 ALA CB C 13 16.700 0.3 . 1 . . . . 68 ALA CB . 15200 1 769 . 1 1 68 68 ALA N N 15 121.700 0.3 . 1 . . . . 68 ALA N . 15200 1 770 . 1 1 69 69 GLY H H 1 8.290 0.02 . 1 . . . . 69 GLY H . 15200 1 771 . 1 1 69 69 GLY HA2 H 1 4.250 0.02 . 2 . . . . 69 GLY HA2 . 15200 1 772 . 1 1 69 69 GLY HA3 H 1 3.620 0.02 . 2 . . . . 69 GLY HA3 . 15200 1 773 . 1 1 69 69 GLY C C 13 170.700 0.3 . 1 . . . . 69 GLY C . 15200 1 774 . 1 1 69 69 GLY CA C 13 41.900 0.3 . 1 . . . . 69 GLY CA . 15200 1 775 . 1 1 69 69 GLY N N 15 107.400 0.3 . 1 . . . . 69 GLY N . 15200 1 776 . 1 1 70 70 VAL H H 1 7.260 0.02 . 1 . . . . 70 VAL H . 15200 1 777 . 1 1 70 70 VAL HA H 1 4.590 0.02 . 1 . . . . 70 VAL HA . 15200 1 778 . 1 1 70 70 VAL HB H 1 1.400 0.02 . 1 . . . . 70 VAL HB . 15200 1 779 . 1 1 70 70 VAL HG11 H 1 0.660 0.02 . 1 . . . . 70 VAL HG1 . 15200 1 780 . 1 1 70 70 VAL HG12 H 1 0.660 0.02 . 1 . . . . 70 VAL HG1 . 15200 1 781 . 1 1 70 70 VAL HG13 H 1 0.660 0.02 . 1 . . . . 70 VAL HG1 . 15200 1 782 . 1 1 70 70 VAL HG21 H 1 0.060 0.02 . 1 . . . . 70 VAL HG2 . 15200 1 783 . 1 1 70 70 VAL HG22 H 1 0.060 0.02 . 1 . . . . 70 VAL HG2 . 15200 1 784 . 1 1 70 70 VAL HG23 H 1 0.060 0.02 . 1 . . . . 70 VAL HG2 . 15200 1 785 . 1 1 70 70 VAL C C 13 169.300 0.3 . 1 . . . . 70 VAL C . 15200 1 786 . 1 1 70 70 VAL CA C 13 57.200 0.3 . 1 . . . . 70 VAL CA . 15200 1 787 . 1 1 70 70 VAL CB C 13 33.500 0.3 . 1 . . . . 70 VAL CB . 15200 1 788 . 1 1 70 70 VAL CG1 C 13 18.100 0.3 . 1 . . . . 70 VAL CG1 . 15200 1 789 . 1 1 70 70 VAL CG2 C 13 17.400 0.3 . 1 . . . . 70 VAL CG2 . 15200 1 790 . 1 1 70 70 VAL N N 15 120.700 0.3 . 1 . . . . 70 VAL N . 15200 1 791 . 1 1 71 71 LEU H H 1 8.880 0.02 . 1 . . . . 71 LEU H . 15200 1 792 . 1 1 71 71 LEU HA H 1 5.140 0.02 . 1 . . . . 71 LEU HA . 15200 1 793 . 1 1 71 71 LEU HB2 H 1 1.450 0.02 . 2 . . . . 71 LEU HB2 . 15200 1 794 . 1 1 71 71 LEU HB3 H 1 0.940 0.02 . 2 . . . . 71 LEU HB3 . 15200 1 795 . 1 1 71 71 LEU HD11 H 1 0.540 0.02 . 1 . . . . 71 LEU HD1 . 15200 1 796 . 1 1 71 71 LEU HD12 H 1 0.540 0.02 . 1 . . . . 71 LEU HD1 . 15200 1 797 . 1 1 71 71 LEU HD13 H 1 0.540 0.02 . 1 . . . . 71 LEU HD1 . 15200 1 798 . 1 1 71 71 LEU HD21 H 1 0.830 0.02 . 1 . . . . 71 LEU HD2 . 15200 1 799 . 1 1 71 71 LEU HD22 H 1 0.830 0.02 . 1 . . . . 71 LEU HD2 . 15200 1 800 . 1 1 71 71 LEU HD23 H 1 0.830 0.02 . 1 . . . . 71 LEU HD2 . 15200 1 801 . 1 1 71 71 LEU HG H 1 1.240 0.02 . 1 . . . . 71 LEU HG . 15200 1 802 . 1 1 71 71 LEU C C 13 170.300 0.3 . 1 . . . . 71 LEU C . 15200 1 803 . 1 1 71 71 LEU CA C 13 49.300 0.3 . 1 . . . . 71 LEU CA . 15200 1 804 . 1 1 71 71 LEU CB C 13 42.000 0.3 . 1 . . . . 71 LEU CB . 15200 1 805 . 1 1 71 71 LEU CD1 C 13 24.100 0.3 . 1 . . . . 71 LEU CD1 . 15200 1 806 . 1 1 71 71 LEU CD2 C 13 20.400 0.3 . 1 . . . . 71 LEU CD2 . 15200 1 807 . 1 1 71 71 LEU CG C 13 24.500 0.3 . 1 . . . . 71 LEU CG . 15200 1 808 . 1 1 71 71 LEU N N 15 129.100 0.3 . 1 . . . . 71 LEU N . 15200 1 809 . 1 1 72 72 LEU H H 1 9.270 0.02 . 1 . . . . 72 LEU H . 15200 1 810 . 1 1 72 72 LEU HA H 1 4.990 0.02 . 1 . . . . 72 LEU HA . 15200 1 811 . 1 1 72 72 LEU HB2 H 1 1.910 0.02 . 2 . . . . 72 LEU HB2 . 15200 1 812 . 1 1 72 72 LEU HB3 H 1 1.190 0.02 . 2 . . . . 72 LEU HB3 . 15200 1 813 . 1 1 72 72 LEU HD11 H 1 0.570 0.02 . 1 . . . . 72 LEU HD1 . 15200 1 814 . 1 1 72 72 LEU HD12 H 1 0.570 0.02 . 1 . . . . 72 LEU HD1 . 15200 1 815 . 1 1 72 72 LEU HD13 H 1 0.570 0.02 . 1 . . . . 72 LEU HD1 . 15200 1 816 . 1 1 72 72 LEU HD21 H 1 0.530 0.02 . 1 . . . . 72 LEU HD2 . 15200 1 817 . 1 1 72 72 LEU HD22 H 1 0.530 0.02 . 1 . . . . 72 LEU HD2 . 15200 1 818 . 1 1 72 72 LEU HD23 H 1 0.530 0.02 . 1 . . . . 72 LEU HD2 . 15200 1 819 . 1 1 72 72 LEU HG H 1 1.280 0.02 . 1 . . . . 72 LEU HG . 15200 1 820 . 1 1 72 72 LEU C C 13 171.600 0.3 . 1 . . . . 72 LEU C . 15200 1 821 . 1 1 72 72 LEU CA C 13 49.800 0.3 . 1 . . . . 72 LEU CA . 15200 1 822 . 1 1 72 72 LEU CB C 13 38.600 0.3 . 1 . . . . 72 LEU CB . 15200 1 823 . 1 1 72 72 LEU CD1 C 13 23.400 0.3 . 1 . . . . 72 LEU CD1 . 15200 1 824 . 1 1 72 72 LEU CD2 C 13 19.500 0.3 . 1 . . . . 72 LEU CD2 . 15200 1 825 . 1 1 72 72 LEU CG C 13 23.700 0.3 . 1 . . . . 72 LEU CG . 15200 1 826 . 1 1 72 72 LEU N N 15 126.000 0.3 . 1 . . . . 72 LEU N . 15200 1 827 . 1 1 73 73 THR H H 1 8.230 0.02 . 1 . . . . 73 THR H . 15200 1 828 . 1 1 73 73 THR HA H 1 4.450 0.02 . 1 . . . . 73 THR HA . 15200 1 829 . 1 1 73 73 THR HB H 1 4.020 0.02 . 1 . . . . 73 THR HB . 15200 1 830 . 1 1 73 73 THR HG21 H 1 0.780 0.02 . 1 . . . . 73 THR HG2 . 15200 1 831 . 1 1 73 73 THR HG22 H 1 0.780 0.02 . 1 . . . . 73 THR HG2 . 15200 1 832 . 1 1 73 73 THR HG23 H 1 0.780 0.02 . 1 . . . . 73 THR HG2 . 15200 1 833 . 1 1 73 73 THR C C 13 170.200 0.3 . 1 . . . . 73 THR C . 15200 1 834 . 1 1 73 73 THR CA C 13 56.600 0.3 . 1 . . . . 73 THR CA . 15200 1 835 . 1 1 73 73 THR CB C 13 65.700 0.3 . 1 . . . . 73 THR CB . 15200 1 836 . 1 1 73 73 THR CG2 C 13 14.400 0.3 . 1 . . . . 73 THR CG2 . 15200 1 837 . 1 1 73 73 THR N N 15 117.100 0.3 . 1 . . . . 73 THR N . 15200 1 838 . 1 1 74 74 GLY H H 1 8.560 0.02 . 1 . . . . 74 GLY H . 15200 1 839 . 1 1 74 74 GLY HA2 H 1 4.250 0.02 . 2 . . . . 74 GLY HA2 . 15200 1 840 . 1 1 74 74 GLY HA3 H 1 3.820 0.02 . 2 . . . . 74 GLY HA3 . 15200 1 841 . 1 1 74 74 GLY C C 13 170.600 0.3 . 1 . . . . 74 GLY C . 15200 1 842 . 1 1 74 74 GLY CA C 13 43.100 0.3 . 1 . . . . 74 GLY CA . 15200 1 843 . 1 1 74 74 GLY N N 15 108.500 0.3 . 1 . . . . 74 GLY N . 15200 1 844 . 1 1 75 75 TYR H H 1 8.490 0.02 . 1 . . . . 75 TYR H . 15200 1 845 . 1 1 75 75 TYR HA H 1 4.970 0.02 . 1 . . . . 75 TYR HA . 15200 1 846 . 1 1 75 75 TYR HB2 H 1 2.960 0.02 . 2 . . . . 75 TYR HB2 . 15200 1 847 . 1 1 75 75 TYR HB3 H 1 2.820 0.02 . 2 . . . . 75 TYR HB3 . 15200 1 848 . 1 1 75 75 TYR HD1 H 1 6.970 0.02 . 3 . . . . 75 TYR HD1 . 15200 1 849 . 1 1 75 75 TYR HD2 H 1 6.970 0.02 . 3 . . . . 75 TYR HD2 . 15200 1 850 . 1 1 75 75 TYR HE1 H 1 6.720 0.02 . 3 . . . . 75 TYR HE1 . 15200 1 851 . 1 1 75 75 TYR HE2 H 1 6.720 0.02 . 3 . . . . 75 TYR HE2 . 15200 1 852 . 1 1 75 75 TYR C C 13 171.200 0.3 . 1 . . . . 75 TYR C . 15200 1 853 . 1 1 75 75 TYR CA C 13 54.600 0.3 . 1 . . . . 75 TYR CA . 15200 1 854 . 1 1 75 75 TYR CB C 13 38.300 0.3 . 1 . . . . 75 TYR CB . 15200 1 855 . 1 1 75 75 TYR CD1 C 13 131.100 0.3 . 1 . . . . 75 TYR CD1 . 15200 1 856 . 1 1 75 75 TYR CD2 C 13 130.400 0.3 . 1 . . . . 75 TYR CD2 . 15200 1 857 . 1 1 75 75 TYR CE1 C 13 115.600 0.3 . 1 . . . . 75 TYR CE1 . 15200 1 858 . 1 1 75 75 TYR CE2 C 13 115.000 0.3 . 1 . . . . 75 TYR CE2 . 15200 1 859 . 1 1 75 75 TYR CG C 13 127.500 0.3 . 1 . . . . 75 TYR CG . 15200 1 860 . 1 1 75 75 TYR CZ C 13 154.600 0.3 . 1 . . . . 75 TYR CZ . 15200 1 861 . 1 1 75 75 TYR N N 15 123.100 0.3 . 1 . . . . 75 TYR N . 15200 1 862 . 1 1 76 76 VAL H H 1 7.840 0.02 . 1 . . . . 76 VAL H . 15200 1 863 . 1 1 76 76 VAL HB H 1 1.790 0.02 . 1 . . . . 76 VAL HB . 15200 1 864 . 1 1 76 76 VAL HG11 H 1 0.750 0.02 . 1 . . . . 76 VAL HG1 . 15200 1 865 . 1 1 76 76 VAL HG12 H 1 0.750 0.02 . 1 . . . . 76 VAL HG1 . 15200 1 866 . 1 1 76 76 VAL HG13 H 1 0.750 0.02 . 1 . . . . 76 VAL HG1 . 15200 1 867 . 1 1 76 76 VAL HG21 H 1 0.760 0.02 . 1 . . . . 76 VAL HG2 . 15200 1 868 . 1 1 76 76 VAL HG22 H 1 0.760 0.02 . 1 . . . . 76 VAL HG2 . 15200 1 869 . 1 1 76 76 VAL HG23 H 1 0.760 0.02 . 1 . . . . 76 VAL HG2 . 15200 1 870 . 1 1 76 76 VAL C C 13 171.200 0.3 . 1 . . . . 76 VAL C . 15200 1 871 . 1 1 76 76 VAL CA C 13 57.800 0.3 . 1 . . . . 76 VAL CA . 15200 1 872 . 1 1 76 76 VAL CB C 13 31.600 0.3 . 1 . . . . 76 VAL CB . 15200 1 873 . 1 1 76 76 VAL CG1 C 13 18.000 0.3 . 1 . . . . 76 VAL CG1 . 15200 1 874 . 1 1 76 76 VAL CG2 C 13 17.700 0.3 . 1 . . . . 76 VAL CG2 . 15200 1 875 . 1 1 76 76 VAL N N 15 124.100 0.3 . 1 . . . . 76 VAL N . 15200 1 876 . 1 1 77 77 GLY H H 1 8.570 0.02 . 1 . . . . 77 GLY H . 15200 1 877 . 1 1 77 77 GLY HA2 H 1 3.930 0.02 . 2 . . . . 77 GLY HA2 . 15200 1 878 . 1 1 77 77 GLY HA3 H 1 4.330 0.02 . 2 . . . . 77 GLY HA3 . 15200 1 879 . 1 1 77 77 GLY C C 13 169.800 0.3 . 1 . . . . 77 GLY C . 15200 1 880 . 1 1 77 77 GLY CA C 13 42.100 0.3 . 1 . . . . 77 GLY CA . 15200 1 881 . 1 1 77 77 GLY N N 15 113.700 0.3 . 1 . . . . 77 GLY N . 15200 1 882 . 1 1 78 78 PRO HA H 1 4.190 0.02 . 1 . . . . 78 PRO HA . 15200 1 883 . 1 1 78 78 PRO HB2 H 1 2.350 0.02 . 2 . . . . 78 PRO HB2 . 15200 1 884 . 1 1 78 78 PRO HB3 H 1 2.010 0.02 . 2 . . . . 78 PRO HB3 . 15200 1 885 . 1 1 78 78 PRO HD2 H 1 3.860 0.02 . 2 . . . . 78 PRO HD2 . 15200 1 886 . 1 1 78 78 PRO HD3 H 1 3.830 0.02 . 2 . . . . 78 PRO HD3 . 15200 1 887 . 1 1 78 78 PRO HG2 H 1 2.170 0.02 . 2 . . . . 78 PRO HG2 . 15200 1 888 . 1 1 78 78 PRO HG3 H 1 2.070 0.02 . 2 . . . . 78 PRO HG3 . 15200 1 889 . 1 1 78 78 PRO C C 13 176.900 0.3 . 1 . . . . 78 PRO C . 15200 1 890 . 1 1 78 78 PRO CA C 13 63.500 0.3 . 1 . . . . 78 PRO CA . 15200 1 891 . 1 1 78 78 PRO CB C 13 29.500 0.3 . 1 . . . . 78 PRO CB . 15200 1 892 . 1 1 78 78 PRO CD C 13 46.900 0.3 . 1 . . . . 78 PRO CD . 15200 1 893 . 1 1 78 78 PRO CG C 13 25.000 0.3 . 1 . . . . 78 PRO CG . 15200 1 894 . 1 1 78 78 PRO N N 15 132.300 0.3 . 1 . . . . 78 PRO N . 15200 1 895 . 1 1 79 79 LYS HA H 1 4.130 0.02 . 1 . . . . 79 LYS HA . 15200 1 896 . 1 1 79 79 LYS HB2 H 1 1.970 0.02 . 2 . . . . 79 LYS HB2 . 15200 1 897 . 1 1 79 79 LYS HB3 H 1 1.770 0.02 . 2 . . . . 79 LYS HB3 . 15200 1 898 . 1 1 79 79 LYS HD2 H 1 1.710 0.02 . 2 . . . . 79 LYS HD2 . 15200 1 899 . 1 1 79 79 LYS HD3 H 1 1.710 0.02 . 2 . . . . 79 LYS HD3 . 15200 1 900 . 1 1 79 79 LYS HE2 H 1 2.990 0.02 . 2 . . . . 79 LYS HE2 . 15200 1 901 . 1 1 79 79 LYS HE3 H 1 2.990 0.02 . 2 . . . . 79 LYS HE3 . 15200 1 902 . 1 1 79 79 LYS HG2 H 1 1.580 0.02 . 2 . . . . 79 LYS HG2 . 15200 1 903 . 1 1 79 79 LYS HG3 H 1 1.440 0.02 . 2 . . . . 79 LYS HG3 . 15200 1 904 . 1 1 79 79 LYS C C 13 177.100 0.3 . 1 . . . . 79 LYS C . 15200 1 905 . 1 1 79 79 LYS CA C 13 56.700 0.3 . 1 . . . . 79 LYS CA . 15200 1 906 . 1 1 79 79 LYS CB C 13 28.800 0.3 . 1 . . . . 79 LYS CB . 15200 1 907 . 1 1 79 79 LYS CD C 13 26.000 0.3 . 1 . . . . 79 LYS CD . 15200 1 908 . 1 1 79 79 LYS CE C 13 39.200 0.3 . 1 . . . . 79 LYS CE . 15200 1 909 . 1 1 79 79 LYS CG C 13 22.600 0.3 . 1 . . . . 79 LYS CG . 15200 1 910 . 1 1 79 79 LYS N N 15 118.500 0.3 . 1 . . . . 79 LYS N . 15200 1 911 . 1 1 80 80 ALA H H 1 8.110 0.02 . 1 . . . . 80 ALA H . 15200 1 912 . 1 1 80 80 ALA HA H 1 3.860 0.02 . 1 . . . . 80 ALA HA . 15200 1 913 . 1 1 80 80 ALA HB1 H 1 1.410 0.02 . 1 . . . . 80 ALA HB . 15200 1 914 . 1 1 80 80 ALA HB2 H 1 1.410 0.02 . 1 . . . . 80 ALA HB . 15200 1 915 . 1 1 80 80 ALA HB3 H 1 1.410 0.02 . 1 . . . . 80 ALA HB . 15200 1 916 . 1 1 80 80 ALA C C 13 175.900 0.3 . 1 . . . . 80 ALA C . 15200 1 917 . 1 1 80 80 ALA CA C 13 52.200 0.3 . 1 . . . . 80 ALA CA . 15200 1 918 . 1 1 80 80 ALA CB C 13 16.200 0.3 . 1 . . . . 80 ALA CB . 15200 1 919 . 1 1 80 80 ALA N N 15 123.700 0.3 . 1 . . . . 80 ALA N . 15200 1 920 . 1 1 81 81 PHE H H 1 8.740 0.02 . 1 . . . . 81 PHE H . 15200 1 921 . 1 1 81 81 PHE HA H 1 3.520 0.02 . 1 . . . . 81 PHE HA . 15200 1 922 . 1 1 81 81 PHE HB2 H 1 3.030 0.02 . 2 . . . . 81 PHE HB2 . 15200 1 923 . 1 1 81 81 PHE HB3 H 1 2.870 0.02 . 2 . . . . 81 PHE HB3 . 15200 1 924 . 1 1 81 81 PHE HD1 H 1 6.870 0.02 . 3 . . . . 81 PHE HD1 . 15200 1 925 . 1 1 81 81 PHE HD2 H 1 6.870 0.02 . 3 . . . . 81 PHE HD2 . 15200 1 926 . 1 1 81 81 PHE HE1 H 1 6.970 0.02 . 3 . . . . 81 PHE HE1 . 15200 1 927 . 1 1 81 81 PHE HE2 H 1 6.970 0.02 . 3 . . . . 81 PHE HE2 . 15200 1 928 . 1 1 81 81 PHE HZ H 1 6.790 0.02 . 1 . . . . 81 PHE HZ . 15200 1 929 . 1 1 81 81 PHE C C 13 174.600 0.3 . 1 . . . . 81 PHE C . 15200 1 930 . 1 1 81 81 PHE CA C 13 59.800 0.3 . 1 . . . . 81 PHE CA . 15200 1 931 . 1 1 81 81 PHE CB C 13 36.500 0.3 . 1 . . . . 81 PHE CB . 15200 1 932 . 1 1 81 81 PHE CD1 C 13 128.400 0.3 . 1 . . . . 81 PHE CD1 . 15200 1 933 . 1 1 81 81 PHE CD2 C 13 129.000 0.3 . 1 . . . . 81 PHE CD2 . 15200 1 934 . 1 1 81 81 PHE CE1 C 13 127.200 0.3 . 1 . . . . 81 PHE CE1 . 15200 1 935 . 1 1 81 81 PHE CE2 C 13 128.000 0.3 . 1 . . . . 81 PHE CE2 . 15200 1 936 . 1 1 81 81 PHE CG C 13 136.500 0.3 . 1 . . . . 81 PHE CG . 15200 1 937 . 1 1 81 81 PHE CZ C 13 126.300 0.3 . 1 . . . . 81 PHE CZ . 15200 1 938 . 1 1 81 81 PHE N N 15 118.500 0.3 . 1 . . . . 81 PHE N . 15200 1 939 . 1 1 82 82 GLN H H 1 7.830 0.02 . 1 . . . . 82 GLN H . 15200 1 940 . 1 1 82 82 GLN HA H 1 3.910 0.02 . 1 . . . . 82 GLN HA . 15200 1 941 . 1 1 82 82 GLN HB2 H 1 2.130 0.02 . 2 . . . . 82 GLN HB2 . 15200 1 942 . 1 1 82 82 GLN HB3 H 1 2.130 0.02 . 2 . . . . 82 GLN HB3 . 15200 1 943 . 1 1 82 82 GLN HE21 H 1 7.430 0.02 . 1 . . . . 82 GLN HE21 . 15200 1 944 . 1 1 82 82 GLN HE22 H 1 6.780 0.02 . 1 . . . . 82 GLN HE22 . 15200 1 945 . 1 1 82 82 GLN HG2 H 1 2.590 0.02 . 2 . . . . 82 GLN HG2 . 15200 1 946 . 1 1 82 82 GLN HG3 H 1 2.470 0.02 . 2 . . . . 82 GLN HG3 . 15200 1 947 . 1 1 82 82 GLN C C 13 175.800 0.3 . 1 . . . . 82 GLN C . 15200 1 948 . 1 1 82 82 GLN CA C 13 56.100 0.3 . 1 . . . . 82 GLN CA . 15200 1 949 . 1 1 82 82 GLN CB C 13 25.300 0.3 . 1 . . . . 82 GLN CB . 15200 1 950 . 1 1 82 82 GLN CD C 13 177.400 0.3 . 1 . . . . 82 GLN CD . 15200 1 951 . 1 1 82 82 GLN CG C 13 30.900 0.3 . 1 . . . . 82 GLN CG . 15200 1 952 . 1 1 82 82 GLN N N 15 116.700 0.3 . 1 . . . . 82 GLN N . 15200 1 953 . 1 1 82 82 GLN NE2 N 15 111.500 0.3 . 1 . . . . 82 GLN NE2 . 15200 1 954 . 1 1 83 83 ALA H H 1 7.420 0.02 . 1 . . . . 83 ALA H . 15200 1 955 . 1 1 83 83 ALA HA H 1 3.980 0.02 . 1 . . . . 83 ALA HA . 15200 1 956 . 1 1 83 83 ALA HB1 H 1 1.320 0.02 . 1 . . . . 83 ALA HB . 15200 1 957 . 1 1 83 83 ALA HB2 H 1 1.320 0.02 . 1 . . . . 83 ALA HB . 15200 1 958 . 1 1 83 83 ALA HB3 H 1 1.320 0.02 . 1 . . . . 83 ALA HB . 15200 1 959 . 1 1 83 83 ALA C C 13 177.800 0.3 . 1 . . . . 83 ALA C . 15200 1 960 . 1 1 83 83 ALA CA C 13 52.100 0.3 . 1 . . . . 83 ALA CA . 15200 1 961 . 1 1 83 83 ALA CB C 13 15.400 0.3 . 1 . . . . 83 ALA CB . 15200 1 962 . 1 1 83 83 ALA N N 15 122.400 0.3 . 1 . . . . 83 ALA N . 15200 1 963 . 1 1 84 84 LEU H H 1 8.060 0.02 . 1 . . . . 84 LEU H . 15200 1 964 . 1 1 84 84 LEU HA H 1 3.630 0.02 . 1 . . . . 84 LEU HA . 15200 1 965 . 1 1 84 84 LEU HB2 H 1 1.520 0.02 . 2 . . . . 84 LEU HB2 . 15200 1 966 . 1 1 84 84 LEU HB3 H 1 0.850 0.02 . 2 . . . . 84 LEU HB3 . 15200 1 967 . 1 1 84 84 LEU HD11 H 1 0.060 0.02 . 1 . . . . 84 LEU HD1 . 15200 1 968 . 1 1 84 84 LEU HD12 H 1 0.060 0.02 . 1 . . . . 84 LEU HD1 . 15200 1 969 . 1 1 84 84 LEU HD13 H 1 0.060 0.02 . 1 . . . . 84 LEU HD1 . 15200 1 970 . 1 1 84 84 LEU HD21 H 1 0.510 0.02 . 1 . . . . 84 LEU HD2 . 15200 1 971 . 1 1 84 84 LEU HD22 H 1 0.510 0.02 . 1 . . . . 84 LEU HD2 . 15200 1 972 . 1 1 84 84 LEU HD23 H 1 0.510 0.02 . 1 . . . . 84 LEU HD2 . 15200 1 973 . 1 1 84 84 LEU HG H 1 1.540 0.02 . 1 . . . . 84 LEU HG . 15200 1 974 . 1 1 84 84 LEU C C 13 175.600 0.3 . 1 . . . . 84 LEU C . 15200 1 975 . 1 1 84 84 LEU CA C 13 55.400 0.3 . 1 . . . . 84 LEU CA . 15200 1 976 . 1 1 84 84 LEU CB C 13 38.000 0.3 . 1 . . . . 84 LEU CB . 15200 1 977 . 1 1 84 84 LEU CD1 C 13 22.900 0.3 . 1 . . . . 84 LEU CD1 . 15200 1 978 . 1 1 84 84 LEU CD2 C 13 20.600 0.3 . 1 . . . . 84 LEU CD2 . 15200 1 979 . 1 1 84 84 LEU CG C 13 23.300 0.3 . 1 . . . . 84 LEU CG . 15200 1 980 . 1 1 84 84 LEU N N 15 120.400 0.3 . 1 . . . . 84 LEU N . 15200 1 981 . 1 1 85 85 GLN H H 1 8.140 0.02 . 1 . . . . 85 GLN H . 15200 1 982 . 1 1 85 85 GLN HA H 1 3.760 0.02 . 1 . . . . 85 GLN HA . 15200 1 983 . 1 1 85 85 GLN HB2 H 1 1.830 0.02 . 2 . . . . 85 GLN HB2 . 15200 1 984 . 1 1 85 85 GLN HB3 H 1 1.830 0.02 . 2 . . . . 85 GLN HB3 . 15200 1 985 . 1 1 85 85 GLN HE21 H 1 6.950 0.02 . 1 . . . . 85 GLN HE21 . 15200 1 986 . 1 1 85 85 GLN HE22 H 1 6.750 0.02 . 1 . . . . 85 GLN HE22 . 15200 1 987 . 1 1 85 85 GLN HG2 H 1 2.070 0.02 . 2 . . . . 85 GLN HG2 . 15200 1 988 . 1 1 85 85 GLN HG3 H 1 1.950 0.02 . 2 . . . . 85 GLN HG3 . 15200 1 989 . 1 1 85 85 GLN C C 13 177.900 0.3 . 1 . . . . 85 GLN C . 15200 1 990 . 1 1 85 85 GLN CA C 13 56.300 0.3 . 1 . . . . 85 GLN CA . 15200 1 991 . 1 1 85 85 GLN CB C 13 25.700 0.3 . 1 . . . . 85 GLN CB . 15200 1 992 . 1 1 85 85 GLN CD C 13 177.400 0.3 . 1 . . . . 85 GLN CD . 15200 1 993 . 1 1 85 85 GLN CG C 13 31.100 0.3 . 1 . . . . 85 GLN CG . 15200 1 994 . 1 1 85 85 GLN N N 15 118.400 0.3 . 1 . . . . 85 GLN N . 15200 1 995 . 1 1 85 85 GLN NE2 N 15 111.900 0.3 . 1 . . . . 85 GLN NE2 . 15200 1 996 . 1 1 86 86 ALA H H 1 8.040 0.02 . 1 . . . . 86 ALA H . 15200 1 997 . 1 1 86 86 ALA HA H 1 3.980 0.02 . 1 . . . . 86 ALA HA . 15200 1 998 . 1 1 86 86 ALA HB1 H 1 1.410 0.02 . 1 . . . . 86 ALA HB . 15200 1 999 . 1 1 86 86 ALA HB2 H 1 1.410 0.02 . 1 . . . . 86 ALA HB . 15200 1 1000 . 1 1 86 86 ALA HB3 H 1 1.410 0.02 . 1 . . . . 86 ALA HB . 15200 1 1001 . 1 1 86 86 ALA C C 13 175.900 0.3 . 1 . . . . 86 ALA C . 15200 1 1002 . 1 1 86 86 ALA CA C 13 51.900 0.3 . 1 . . . . 86 ALA CA . 15200 1 1003 . 1 1 86 86 ALA CB C 13 14.900 0.3 . 1 . . . . 86 ALA CB . 15200 1 1004 . 1 1 86 86 ALA N N 15 123.100 0.3 . 1 . . . . 86 ALA N . 15200 1 1005 . 1 1 87 87 ALA H H 1 7.140 0.02 . 1 . . . . 87 ALA H . 15200 1 1006 . 1 1 87 87 ALA HA H 1 4.240 0.02 . 1 . . . . 87 ALA HA . 15200 1 1007 . 1 1 87 87 ALA HB1 H 1 1.340 0.02 . 1 . . . . 87 ALA HB . 15200 1 1008 . 1 1 87 87 ALA HB2 H 1 1.340 0.02 . 1 . . . . 87 ALA HB . 15200 1 1009 . 1 1 87 87 ALA HB3 H 1 1.340 0.02 . 1 . . . . 87 ALA HB . 15200 1 1010 . 1 1 87 87 ALA C C 13 174.200 0.3 . 1 . . . . 87 ALA C . 15200 1 1011 . 1 1 87 87 ALA CA C 13 48.900 0.3 . 1 . . . . 87 ALA CA . 15200 1 1012 . 1 1 87 87 ALA CB C 13 16.200 0.3 . 1 . . . . 87 ALA CB . 15200 1 1013 . 1 1 87 87 ALA N N 15 118.300 0.3 . 1 . . . . 87 ALA N . 15200 1 1014 . 1 1 88 88 GLY H H 1 7.710 0.02 . 1 . . . . 88 GLY H . 15200 1 1015 . 1 1 88 88 GLY HA2 H 1 3.910 0.02 . 2 . . . . 88 GLY HA2 . 15200 1 1016 . 1 1 88 88 GLY HA3 H 1 3.590 0.02 . 2 . . . . 88 GLY HA3 . 15200 1 1017 . 1 1 88 88 GLY C C 13 171.200 0.3 . 1 . . . . 88 GLY C . 15200 1 1018 . 1 1 88 88 GLY CA C 13 43.000 0.3 . 1 . . . . 88 GLY CA . 15200 1 1019 . 1 1 88 88 GLY N N 15 107.400 0.3 . 1 . . . . 88 GLY N . 15200 1 1020 . 1 1 89 89 ILE H H 1 7.610 0.02 . 1 . . . . 89 ILE H . 15200 1 1021 . 1 1 89 89 ILE HA H 1 3.710 0.02 . 1 . . . . 89 ILE HA . 15200 1 1022 . 1 1 89 89 ILE HB H 1 1.310 0.02 . 1 . . . . 89 ILE HB . 15200 1 1023 . 1 1 89 89 ILE HD11 H 1 0.530 0.02 . 1 . . . . 89 ILE HD1 . 15200 1 1024 . 1 1 89 89 ILE HD12 H 1 0.530 0.02 . 1 . . . . 89 ILE HD1 . 15200 1 1025 . 1 1 89 89 ILE HD13 H 1 0.530 0.02 . 1 . . . . 89 ILE HD1 . 15200 1 1026 . 1 1 89 89 ILE HG12 H 1 1.250 0.02 . 2 . . . . 89 ILE HG12 . 15200 1 1027 . 1 1 89 89 ILE HG13 H 1 0.880 0.02 . 2 . . . . 89 ILE HG13 . 15200 1 1028 . 1 1 89 89 ILE HG21 H 1 0.350 0.02 . 1 . . . . 89 ILE HG2 . 15200 1 1029 . 1 1 89 89 ILE HG22 H 1 0.350 0.02 . 1 . . . . 89 ILE HG2 . 15200 1 1030 . 1 1 89 89 ILE HG23 H 1 0.350 0.02 . 1 . . . . 89 ILE HG2 . 15200 1 1031 . 1 1 89 89 ILE C C 13 172.400 0.3 . 1 . . . . 89 ILE C . 15200 1 1032 . 1 1 89 89 ILE CA C 13 58.100 0.3 . 1 . . . . 89 ILE CA . 15200 1 1033 . 1 1 89 89 ILE CB C 13 35.600 0.3 . 1 . . . . 89 ILE CB . 15200 1 1034 . 1 1 89 89 ILE CD1 C 13 10.700 0.3 . 1 . . . . 89 ILE CD1 . 15200 1 1035 . 1 1 89 89 ILE CG1 C 13 24.800 0.3 . 1 . . . . 89 ILE CG1 . 15200 1 1036 . 1 1 89 89 ILE CG2 C 13 14.300 0.3 . 1 . . . . 89 ILE CG2 . 15200 1 1037 . 1 1 89 89 ILE N N 15 122.200 0.3 . 1 . . . . 89 ILE N . 15200 1 1038 . 1 1 90 90 LYS H H 1 7.630 0.02 . 1 . . . . 90 LYS H . 15200 1 1039 . 1 1 90 90 LYS HA H 1 4.220 0.02 . 1 . . . . 90 LYS HA . 15200 1 1040 . 1 1 90 90 LYS HB2 H 1 1.910 0.02 . 2 . . . . 90 LYS HB2 . 15200 1 1041 . 1 1 90 90 LYS HB3 H 1 1.660 0.02 . 2 . . . . 90 LYS HB3 . 15200 1 1042 . 1 1 90 90 LYS HD2 H 1 1.610 0.02 . 2 . . . . 90 LYS HD2 . 15200 1 1043 . 1 1 90 90 LYS HD3 H 1 1.610 0.02 . 2 . . . . 90 LYS HD3 . 15200 1 1044 . 1 1 90 90 LYS HE2 H 1 2.940 0.02 . 2 . . . . 90 LYS HE2 . 15200 1 1045 . 1 1 90 90 LYS HE3 H 1 2.940 0.02 . 2 . . . . 90 LYS HE3 . 15200 1 1046 . 1 1 90 90 LYS HG2 H 1 1.580 0.02 . 2 . . . . 90 LYS HG2 . 15200 1 1047 . 1 1 90 90 LYS HG3 H 1 1.580 0.02 . 2 . . . . 90 LYS HG3 . 15200 1 1048 . 1 1 90 90 LYS C C 13 172.000 0.3 . 1 . . . . 90 LYS C . 15200 1 1049 . 1 1 90 90 LYS CA C 13 52.800 0.3 . 1 . . . . 90 LYS CA . 15200 1 1050 . 1 1 90 90 LYS CB C 13 31.300 0.3 . 1 . . . . 90 LYS CB . 15200 1 1051 . 1 1 90 90 LYS CD C 13 26.100 0.3 . 1 . . . . 90 LYS CD . 15200 1 1052 . 1 1 90 90 LYS CE C 13 39.500 0.3 . 1 . . . . 90 LYS CE . 15200 1 1053 . 1 1 90 90 LYS CG C 13 22.100 0.3 . 1 . . . . 90 LYS CG . 15200 1 1054 . 1 1 90 90 LYS N N 15 127.100 0.3 . 1 . . . . 90 LYS N . 15200 1 1055 . 1 1 91 91 VAL H H 1 8.520 0.02 . 1 . . . . 91 VAL H . 15200 1 1056 . 1 1 91 91 VAL HA H 1 4.790 0.02 . 1 . . . . 91 VAL HA . 15200 1 1057 . 1 1 91 91 VAL HB H 1 1.850 0.02 . 1 . . . . 91 VAL HB . 15200 1 1058 . 1 1 91 91 VAL HG11 H 1 0.660 0.02 . 1 . . . . 91 VAL HG1 . 15200 1 1059 . 1 1 91 91 VAL HG12 H 1 0.660 0.02 . 1 . . . . 91 VAL HG1 . 15200 1 1060 . 1 1 91 91 VAL HG13 H 1 0.660 0.02 . 1 . . . . 91 VAL HG1 . 15200 1 1061 . 1 1 91 91 VAL HG21 H 1 0.470 0.02 . 1 . . . . 91 VAL HG2 . 15200 1 1062 . 1 1 91 91 VAL HG22 H 1 0.470 0.02 . 1 . . . . 91 VAL HG2 . 15200 1 1063 . 1 1 91 91 VAL HG23 H 1 0.470 0.02 . 1 . . . . 91 VAL HG2 . 15200 1 1064 . 1 1 91 91 VAL C C 13 171.700 0.3 . 1 . . . . 91 VAL C . 15200 1 1065 . 1 1 91 91 VAL CA C 13 58.400 0.3 . 1 . . . . 91 VAL CA . 15200 1 1066 . 1 1 91 91 VAL CB C 13 32.400 0.3 . 1 . . . . 91 VAL CB . 15200 1 1067 . 1 1 91 91 VAL CG1 C 13 19.300 0.3 . 1 . . . . 91 VAL CG1 . 15200 1 1068 . 1 1 91 91 VAL CG2 C 13 18.700 0.3 . 1 . . . . 91 VAL CG2 . 15200 1 1069 . 1 1 91 91 VAL N N 15 121.700 0.3 . 1 . . . . 91 VAL N . 15200 1 1070 . 1 1 92 92 GLY H H 1 9.470 0.02 . 1 . . . . 92 GLY H . 15200 1 1071 . 1 1 92 92 GLY HA2 H 1 4.690 0.02 . 2 . . . . 92 GLY HA2 . 15200 1 1072 . 1 1 92 92 GLY HA3 H 1 3.050 0.02 . 2 . . . . 92 GLY HA3 . 15200 1 1073 . 1 1 92 92 GLY C C 13 168.600 0.3 . 1 . . . . 92 GLY C . 15200 1 1074 . 1 1 92 92 GLY CA C 13 42.200 0.3 . 1 . . . . 92 GLY CA . 15200 1 1075 . 1 1 92 92 GLY N N 15 116.000 0.3 . 1 . . . . 92 GLY N . 15200 1 1076 . 1 1 93 93 GLN H H 1 8.520 0.02 . 1 . . . . 93 GLN H . 15200 1 1077 . 1 1 93 93 GLN HA H 1 4.700 0.02 . 1 . . . . 93 GLN HA . 15200 1 1078 . 1 1 93 93 GLN HB2 H 1 2.120 0.02 . 2 . . . . 93 GLN HB2 . 15200 1 1079 . 1 1 93 93 GLN HB3 H 1 1.790 0.02 . 2 . . . . 93 GLN HB3 . 15200 1 1080 . 1 1 93 93 GLN HE21 H 1 6.730 0.02 . 1 . . . . 93 GLN HE21 . 15200 1 1081 . 1 1 93 93 GLN HE22 H 1 6.640 0.02 . 1 . . . . 93 GLN HE22 . 15200 1 1082 . 1 1 93 93 GLN HG2 H 1 2.060 0.02 . 2 . . . . 93 GLN HG2 . 15200 1 1083 . 1 1 93 93 GLN HG3 H 1 1.890 0.02 . 2 . . . . 93 GLN HG3 . 15200 1 1084 . 1 1 93 93 GLN C C 13 171.900 0.3 . 1 . . . . 93 GLN C . 15200 1 1085 . 1 1 93 93 GLN CA C 13 51.500 0.3 . 1 . . . . 93 GLN CA . 15200 1 1086 . 1 1 93 93 GLN CB C 13 29.800 0.3 . 1 . . . . 93 GLN CB . 15200 1 1087 . 1 1 93 93 GLN CD C 13 176.100 0.3 . 1 . . . . 93 GLN CD . 15200 1 1088 . 1 1 93 93 GLN CG C 13 32.500 0.3 . 1 . . . . 93 GLN CG . 15200 1 1089 . 1 1 93 93 GLN N N 15 121.800 0.3 . 1 . . . . 93 GLN N . 15200 1 1090 . 1 1 93 93 GLN NE2 N 15 108.000 0.3 . 1 . . . . 93 GLN NE2 . 15200 1 1091 . 1 1 94 94 ASP H H 1 9.100 0.02 . 1 . . . . 94 ASP H . 15200 1 1092 . 1 1 94 94 ASP HA H 1 4.580 0.02 . 1 . . . . 94 ASP HA . 15200 1 1093 . 1 1 94 94 ASP HB2 H 1 3.010 0.02 . 2 . . . . 94 ASP HB2 . 15200 1 1094 . 1 1 94 94 ASP HB3 H 1 2.920 0.02 . 2 . . . . 94 ASP HB3 . 15200 1 1095 . 1 1 94 94 ASP C C 13 174.600 0.3 . 1 . . . . 94 ASP C . 15200 1 1096 . 1 1 94 94 ASP CA C 13 53.000 0.3 . 1 . . . . 94 ASP CA . 15200 1 1097 . 1 1 94 94 ASP CB C 13 36.300 0.3 . 1 . . . . 94 ASP CB . 15200 1 1098 . 1 1 94 94 ASP CG C 13 179.100 0.3 . 1 . . . . 94 ASP CG . 15200 1 1099 . 1 1 94 94 ASP N N 15 111.600 0.3 . 1 . . . . 94 ASP N . 15200 1 1100 . 1 1 95 95 LEU H H 1 7.850 0.02 . 1 . . . . 95 LEU H . 15200 1 1101 . 1 1 95 95 LEU HA H 1 4.360 0.02 . 1 . . . . 95 LEU HA . 15200 1 1102 . 1 1 95 95 LEU HB2 H 1 1.530 0.02 . 2 . . . . 95 LEU HB2 . 15200 1 1103 . 1 1 95 95 LEU HB3 H 1 1.360 0.02 . 2 . . . . 95 LEU HB3 . 15200 1 1104 . 1 1 95 95 LEU HD11 H 1 0.860 0.02 . 1 . . . . 95 LEU HD1 . 15200 1 1105 . 1 1 95 95 LEU HD12 H 1 0.860 0.02 . 1 . . . . 95 LEU HD1 . 15200 1 1106 . 1 1 95 95 LEU HD13 H 1 0.860 0.02 . 1 . . . . 95 LEU HD1 . 15200 1 1107 . 1 1 95 95 LEU HD21 H 1 0.810 0.02 . 1 . . . . 95 LEU HD2 . 15200 1 1108 . 1 1 95 95 LEU HD22 H 1 0.810 0.02 . 1 . . . . 95 LEU HD2 . 15200 1 1109 . 1 1 95 95 LEU HD23 H 1 0.810 0.02 . 1 . . . . 95 LEU HD2 . 15200 1 1110 . 1 1 95 95 LEU HG H 1 1.620 0.02 . 1 . . . . 95 LEU HG . 15200 1 1111 . 1 1 95 95 LEU C C 13 172.700 0.3 . 1 . . . . 95 LEU C . 15200 1 1112 . 1 1 95 95 LEU CA C 13 51.500 0.3 . 1 . . . . 95 LEU CA . 15200 1 1113 . 1 1 95 95 LEU CB C 13 37.500 0.3 . 1 . . . . 95 LEU CB . 15200 1 1114 . 1 1 95 95 LEU CD1 C 13 25.300 0.3 . 1 . . . . 95 LEU CD1 . 15200 1 1115 . 1 1 95 95 LEU CD2 C 13 20.700 0.3 . 1 . . . . 95 LEU CD2 . 15200 1 1116 . 1 1 95 95 LEU CG C 13 23.300 0.3 . 1 . . . . 95 LEU CG . 15200 1 1117 . 1 1 95 95 LEU N N 15 119.200 0.3 . 1 . . . . 95 LEU N . 15200 1 1118 . 1 1 96 96 GLU H H 1 7.990 0.02 . 1 . . . . 96 GLU H . 15200 1 1119 . 1 1 96 96 GLU HA H 1 3.820 0.02 . 1 . . . . 96 GLU HA . 15200 1 1120 . 1 1 96 96 GLU HB2 H 1 1.940 0.02 . 2 . . . . 96 GLU HB2 . 15200 1 1121 . 1 1 96 96 GLU HB3 H 1 1.940 0.02 . 2 . . . . 96 GLU HB3 . 15200 1 1122 . 1 1 96 96 GLU HG2 H 1 2.210 0.02 . 2 . . . . 96 GLU HG2 . 15200 1 1123 . 1 1 96 96 GLU HG3 H 1 2.160 0.02 . 2 . . . . 96 GLU HG3 . 15200 1 1124 . 1 1 96 96 GLU C C 13 174.200 0.3 . 1 . . . . 96 GLU C . 15200 1 1125 . 1 1 96 96 GLU CA C 13 54.700 0.3 . 1 . . . . 96 GLU CA . 15200 1 1126 . 1 1 96 96 GLU CB C 13 27.000 0.3 . 1 . . . . 96 GLU CB . 15200 1 1127 . 1 1 96 96 GLU CD C 13 180.700 0.3 . 1 . . . . 96 GLU CD . 15200 1 1128 . 1 1 96 96 GLU CG C 13 32.800 0.3 . 1 . . . . 96 GLU CG . 15200 1 1129 . 1 1 96 96 GLU N N 15 116.400 0.3 . 1 . . . . 96 GLU N . 15200 1 1130 . 1 1 97 97 GLY H H 1 9.630 0.02 . 1 . . . . 97 GLY H . 15200 1 1131 . 1 1 97 97 GLY HA2 H 1 4.100 0.02 . 2 . . . . 97 GLY HA2 . 15200 1 1132 . 1 1 97 97 GLY HA3 H 1 3.510 0.02 . 2 . . . . 97 GLY HA3 . 15200 1 1133 . 1 1 97 97 GLY C C 13 170.800 0.3 . 1 . . . . 97 GLY C . 15200 1 1134 . 1 1 97 97 GLY CA C 13 42.500 0.3 . 1 . . . . 97 GLY CA . 15200 1 1135 . 1 1 97 97 GLY N N 15 112.400 0.3 . 1 . . . . 97 GLY N . 15200 1 1136 . 1 1 98 98 LEU H H 1 7.060 0.02 . 1 . . . . 98 LEU H . 15200 1 1137 . 1 1 98 98 LEU HA H 1 4.600 0.02 . 1 . . . . 98 LEU HA . 15200 1 1138 . 1 1 98 98 LEU HB2 H 1 1.750 0.02 . 2 . . . . 98 LEU HB2 . 15200 1 1139 . 1 1 98 98 LEU HB3 H 1 1.670 0.02 . 2 . . . . 98 LEU HB3 . 15200 1 1140 . 1 1 98 98 LEU HD11 H 1 0.700 0.02 . 1 . . . . 98 LEU HD1 . 15200 1 1141 . 1 1 98 98 LEU HD12 H 1 0.700 0.02 . 1 . . . . 98 LEU HD1 . 15200 1 1142 . 1 1 98 98 LEU HD13 H 1 0.700 0.02 . 1 . . . . 98 LEU HD1 . 15200 1 1143 . 1 1 98 98 LEU HD21 H 1 0.690 0.02 . 1 . . . . 98 LEU HD2 . 15200 1 1144 . 1 1 98 98 LEU HD22 H 1 0.690 0.02 . 1 . . . . 98 LEU HD2 . 15200 1 1145 . 1 1 98 98 LEU HD23 H 1 0.690 0.02 . 1 . . . . 98 LEU HD2 . 15200 1 1146 . 1 1 98 98 LEU HG H 1 1.560 0.02 . 1 . . . . 98 LEU HG . 15200 1 1147 . 1 1 98 98 LEU C C 13 173.900 0.3 . 1 . . . . 98 LEU C . 15200 1 1148 . 1 1 98 98 LEU CA C 13 51.000 0.3 . 1 . . . . 98 LEU CA . 15200 1 1149 . 1 1 98 98 LEU CB C 13 40.500 0.3 . 1 . . . . 98 LEU CB . 15200 1 1150 . 1 1 98 98 LEU CD1 C 13 22.800 0.3 . 1 . . . . 98 LEU CD1 . 15200 1 1151 . 1 1 98 98 LEU CD2 C 13 20.000 0.3 . 1 . . . . 98 LEU CD2 . 15200 1 1152 . 1 1 98 98 LEU CG C 13 23.600 0.3 . 1 . . . . 98 LEU CG . 15200 1 1153 . 1 1 98 98 LEU N N 15 120.000 0.3 . 1 . . . . 98 LEU N . 15200 1 1154 . 1 1 99 99 THR H H 1 8.340 0.02 . 1 . . . . 99 THR H . 15200 1 1155 . 1 1 99 99 THR HA H 1 4.910 0.02 . 1 . . . . 99 THR HA . 15200 1 1156 . 1 1 99 99 THR HB H 1 4.560 0.02 . 1 . . . . 99 THR HB . 15200 1 1157 . 1 1 99 99 THR HG21 H 1 1.120 0.02 . 1 . . . . 99 THR HG2 . 15200 1 1158 . 1 1 99 99 THR HG22 H 1 1.120 0.02 . 1 . . . . 99 THR HG2 . 15200 1 1159 . 1 1 99 99 THR HG23 H 1 1.120 0.02 . 1 . . . . 99 THR HG2 . 15200 1 1160 . 1 1 99 99 THR C C 13 173.200 0.3 . 1 . . . . 99 THR C . 15200 1 1161 . 1 1 99 99 THR CA C 13 57.900 0.3 . 1 . . . . 99 THR CA . 15200 1 1162 . 1 1 99 99 THR CB C 13 68.600 0.3 . 1 . . . . 99 THR CB . 15200 1 1163 . 1 1 99 99 THR CG2 C 13 19.200 0.3 . 1 . . . . 99 THR CG2 . 15200 1 1164 . 1 1 99 99 THR N N 15 109.400 0.3 . 1 . . . . 99 THR N . 15200 1 1165 . 1 1 100 100 VAL H H 1 8.830 0.02 . 1 . . . . 100 VAL H . 15200 1 1166 . 1 1 100 100 VAL HA H 1 3.340 0.02 . 1 . . . . 100 VAL HA . 15200 1 1167 . 1 1 100 100 VAL HB H 1 2.290 0.02 . 1 . . . . 100 VAL HB . 15200 1 1168 . 1 1 100 100 VAL HG11 H 1 0.900 0.02 . 1 . . . . 100 VAL HG1 . 15200 1 1169 . 1 1 100 100 VAL HG12 H 1 0.900 0.02 . 1 . . . . 100 VAL HG1 . 15200 1 1170 . 1 1 100 100 VAL HG13 H 1 0.900 0.02 . 1 . . . . 100 VAL HG1 . 15200 1 1171 . 1 1 100 100 VAL HG21 H 1 0.800 0.02 . 1 . . . . 100 VAL HG2 . 15200 1 1172 . 1 1 100 100 VAL HG22 H 1 0.800 0.02 . 1 . . . . 100 VAL HG2 . 15200 1 1173 . 1 1 100 100 VAL HG23 H 1 0.800 0.02 . 1 . . . . 100 VAL HG2 . 15200 1 1174 . 1 1 100 100 VAL C C 13 175.100 0.3 . 1 . . . . 100 VAL C . 15200 1 1175 . 1 1 100 100 VAL CA C 13 64.900 0.3 . 1 . . . . 100 VAL CA . 15200 1 1176 . 1 1 100 100 VAL CB C 13 28.100 0.3 . 1 . . . . 100 VAL CB . 15200 1 1177 . 1 1 100 100 VAL CG1 C 13 18.300 0.3 . 1 . . . . 100 VAL CG1 . 15200 1 1178 . 1 1 100 100 VAL CG2 C 13 17.900 0.3 . 1 . . . . 100 VAL CG2 . 15200 1 1179 . 1 1 100 100 VAL N N 15 122.200 0.3 . 1 . . . . 100 VAL N . 15200 1 1180 . 1 1 101 101 ARG H H 1 8.620 0.02 . 1 . . . . 101 ARG H . 15200 1 1181 . 1 1 101 101 ARG HA H 1 3.480 0.02 . 1 . . . . 101 ARG HA . 15200 1 1182 . 1 1 101 101 ARG HB2 H 1 1.960 0.02 . 2 . . . . 101 ARG HB2 . 15200 1 1183 . 1 1 101 101 ARG HB3 H 1 1.580 0.02 . 2 . . . . 101 ARG HB3 . 15200 1 1184 . 1 1 101 101 ARG HD2 H 1 3.360 0.02 . 2 . . . . 101 ARG HD2 . 15200 1 1185 . 1 1 101 101 ARG HD3 H 1 3.360 0.02 . 2 . . . . 101 ARG HD3 . 15200 1 1186 . 1 1 101 101 ARG HG2 H 1 1.430 0.02 . 2 . . . . 101 ARG HG2 . 15200 1 1187 . 1 1 101 101 ARG HG3 H 1 1.430 0.02 . 2 . . . . 101 ARG HG3 . 15200 1 1188 . 1 1 101 101 ARG C C 13 175.500 0.3 . 1 . . . . 101 ARG C . 15200 1 1189 . 1 1 101 101 ARG CA C 13 57.500 0.3 . 1 . . . . 101 ARG CA . 15200 1 1190 . 1 1 101 101 ARG CB C 13 28.500 0.3 . 1 . . . . 101 ARG CB . 15200 1 1191 . 1 1 101 101 ARG CD C 13 40.200 0.3 . 1 . . . . 101 ARG CD . 15200 1 1192 . 1 1 101 101 ARG CG C 13 24.200 0.3 . 1 . . . . 101 ARG CG . 15200 1 1193 . 1 1 101 101 ARG N N 15 117.600 0.3 . 1 . . . . 101 ARG N . 15200 1 1194 . 1 1 102 102 GLN H H 1 7.750 0.02 . 1 . . . . 102 GLN H . 15200 1 1195 . 1 1 102 102 GLN HA H 1 3.920 0.02 . 1 . . . . 102 GLN HA . 15200 1 1196 . 1 1 102 102 GLN HB2 H 1 1.830 0.02 . 2 . . . . 102 GLN HB2 . 15200 1 1197 . 1 1 102 102 GLN HB3 H 1 1.830 0.02 . 2 . . . . 102 GLN HB3 . 15200 1 1198 . 1 1 102 102 GLN HE21 H 1 7.340 0.02 . 1 . . . . 102 GLN HE21 . 15200 1 1199 . 1 1 102 102 GLN HE22 H 1 6.710 0.02 . 1 . . . . 102 GLN HE22 . 15200 1 1200 . 1 1 102 102 GLN HG2 H 1 2.300 0.02 . 2 . . . . 102 GLN HG2 . 15200 1 1201 . 1 1 102 102 GLN HG3 H 1 2.300 0.02 . 2 . . . . 102 GLN HG3 . 15200 1 1202 . 1 1 102 102 GLN C C 13 176.400 0.3 . 1 . . . . 102 GLN C . 15200 1 1203 . 1 1 102 102 GLN CA C 13 55.600 0.3 . 1 . . . . 102 GLN CA . 15200 1 1204 . 1 1 102 102 GLN CB C 13 26.400 0.3 . 1 . . . . 102 GLN CB . 15200 1 1205 . 1 1 102 102 GLN CD C 13 177.300 0.3 . 1 . . . . 102 GLN CD . 15200 1 1206 . 1 1 102 102 GLN CG C 13 31.200 0.3 . 1 . . . . 102 GLN CG . 15200 1 1207 . 1 1 102 102 GLN N N 15 116.800 0.3 . 1 . . . . 102 GLN N . 15200 1 1208 . 1 1 102 102 GLN NE2 N 15 110.100 0.3 . 1 . . . . 102 GLN NE2 . 15200 1 1209 . 1 1 103 103 ALA H H 1 8.760 0.02 . 1 . . . . 103 ALA H . 15200 1 1210 . 1 1 103 103 ALA HA H 1 3.780 0.02 . 1 . . . . 103 ALA HA . 15200 1 1211 . 1 1 103 103 ALA HB1 H 1 1.330 0.02 . 1 . . . . 103 ALA HB . 15200 1 1212 . 1 1 103 103 ALA HB2 H 1 1.330 0.02 . 1 . . . . 103 ALA HB . 15200 1 1213 . 1 1 103 103 ALA HB3 H 1 1.330 0.02 . 1 . . . . 103 ALA HB . 15200 1 1214 . 1 1 103 103 ALA C C 13 175.600 0.3 . 1 . . . . 103 ALA C . 15200 1 1215 . 1 1 103 103 ALA CA C 13 52.900 0.3 . 1 . . . . 103 ALA CA . 15200 1 1216 . 1 1 103 103 ALA CB C 13 14.900 0.3 . 1 . . . . 103 ALA CB . 15200 1 1217 . 1 1 103 103 ALA N N 15 123.700 0.3 . 1 . . . . 103 ALA N . 15200 1 1218 . 1 1 104 104 VAL H H 1 8.240 0.02 . 1 . . . . 104 VAL H . 15200 1 1219 . 1 1 104 104 VAL HA H 1 3.240 0.02 . 1 . . . . 104 VAL HA . 15200 1 1220 . 1 1 104 104 VAL HB H 1 2.100 0.02 . 1 . . . . 104 VAL HB . 15200 1 1221 . 1 1 104 104 VAL HG11 H 1 0.880 0.02 . 1 . . . . 104 VAL HG1 . 15200 1 1222 . 1 1 104 104 VAL HG12 H 1 0.880 0.02 . 1 . . . . 104 VAL HG1 . 15200 1 1223 . 1 1 104 104 VAL HG13 H 1 0.880 0.02 . 1 . . . . 104 VAL HG1 . 15200 1 1224 . 1 1 104 104 VAL HG21 H 1 0.800 0.02 . 1 . . . . 104 VAL HG2 . 15200 1 1225 . 1 1 104 104 VAL HG22 H 1 0.800 0.02 . 1 . . . . 104 VAL HG2 . 15200 1 1226 . 1 1 104 104 VAL HG23 H 1 0.800 0.02 . 1 . . . . 104 VAL HG2 . 15200 1 1227 . 1 1 104 104 VAL C C 13 174.900 0.3 . 1 . . . . 104 VAL C . 15200 1 1228 . 1 1 104 104 VAL CA C 13 64.500 0.3 . 1 . . . . 104 VAL CA . 15200 1 1229 . 1 1 104 104 VAL CB C 13 28.700 0.3 . 1 . . . . 104 VAL CB . 15200 1 1230 . 1 1 104 104 VAL CG1 C 13 20.400 0.3 . 1 . . . . 104 VAL CG1 . 15200 1 1231 . 1 1 104 104 VAL CG2 C 13 18.200 0.3 . 1 . . . . 104 VAL CG2 . 15200 1 1232 . 1 1 104 104 VAL N N 15 116.800 0.3 . 1 . . . . 104 VAL N . 15200 1 1233 . 1 1 105 105 GLN H H 1 8.400 0.02 . 1 . . . . 105 GLN H . 15200 1 1234 . 1 1 105 105 GLN HA H 1 3.700 0.02 . 1 . . . . 105 GLN HA . 15200 1 1235 . 1 1 105 105 GLN HB2 H 1 2.260 0.02 . 2 . . . . 105 GLN HB2 . 15200 1 1236 . 1 1 105 105 GLN HB3 H 1 2.020 0.02 . 2 . . . . 105 GLN HB3 . 15200 1 1237 . 1 1 105 105 GLN HE21 H 1 7.680 0.02 . 1 . . . . 105 GLN HE21 . 15200 1 1238 . 1 1 105 105 GLN HE22 H 1 6.750 0.02 . 1 . . . . 105 GLN HE22 . 15200 1 1239 . 1 1 105 105 GLN HG2 H 1 2.380 0.02 . 2 . . . . 105 GLN HG2 . 15200 1 1240 . 1 1 105 105 GLN HG3 H 1 1.900 0.02 . 2 . . . . 105 GLN HG3 . 15200 1 1241 . 1 1 105 105 GLN C C 13 175.000 0.3 . 1 . . . . 105 GLN C . 15200 1 1242 . 1 1 105 105 GLN CA C 13 56.200 0.3 . 1 . . . . 105 GLN CA . 15200 1 1243 . 1 1 105 105 GLN CB C 13 25.700 0.3 . 1 . . . . 105 GLN CB . 15200 1 1244 . 1 1 105 105 GLN CD C 13 177.400 0.3 . 1 . . . . 105 GLN CD . 15200 1 1245 . 1 1 105 105 GLN CG C 13 30.800 0.3 . 1 . . . . 105 GLN CG . 15200 1 1246 . 1 1 105 105 GLN N N 15 119.000 0.3 . 1 . . . . 105 GLN N . 15200 1 1247 . 1 1 105 105 GLN NE2 N 15 115.300 0.3 . 1 . . . . 105 GLN NE2 . 15200 1 1248 . 1 1 106 106 ARG H H 1 8.270 0.02 . 1 . . . . 106 ARG H . 15200 1 1249 . 1 1 106 106 ARG HA H 1 3.980 0.02 . 1 . . . . 106 ARG HA . 15200 1 1250 . 1 1 106 106 ARG HB2 H 1 1.910 0.02 . 2 . . . . 106 ARG HB2 . 15200 1 1251 . 1 1 106 106 ARG HB3 H 1 1.840 0.02 . 2 . . . . 106 ARG HB3 . 15200 1 1252 . 1 1 106 106 ARG HD2 H 1 3.010 0.02 . 2 . . . . 106 ARG HD2 . 15200 1 1253 . 1 1 106 106 ARG HD3 H 1 2.960 0.02 . 2 . . . . 106 ARG HD3 . 15200 1 1254 . 1 1 106 106 ARG HG2 H 1 1.800 0.02 . 2 . . . . 106 ARG HG2 . 15200 1 1255 . 1 1 106 106 ARG HG3 H 1 1.600 0.02 . 2 . . . . 106 ARG HG3 . 15200 1 1256 . 1 1 106 106 ARG C C 13 176.000 0.3 . 1 . . . . 106 ARG C . 15200 1 1257 . 1 1 106 106 ARG CA C 13 56.900 0.3 . 1 . . . . 106 ARG CA . 15200 1 1258 . 1 1 106 106 ARG CB C 13 27.000 0.3 . 1 . . . . 106 ARG CB . 15200 1 1259 . 1 1 106 106 ARG CD C 13 40.600 0.3 . 1 . . . . 106 ARG CD . 15200 1 1260 . 1 1 106 106 ARG CG C 13 24.700 0.3 . 1 . . . . 106 ARG CG . 15200 1 1261 . 1 1 106 106 ARG N N 15 118.200 0.3 . 1 . . . . 106 ARG N . 15200 1 1262 . 1 1 107 107 PHE H H 1 7.990 0.02 . 1 . . . . 107 PHE H . 15200 1 1263 . 1 1 107 107 PHE HA H 1 4.180 0.02 . 1 . . . . 107 PHE HA . 15200 1 1264 . 1 1 107 107 PHE HB2 H 1 3.330 0.02 . 2 . . . . 107 PHE HB2 . 15200 1 1265 . 1 1 107 107 PHE HB3 H 1 3.010 0.02 . 2 . . . . 107 PHE HB3 . 15200 1 1266 . 1 1 107 107 PHE HD1 H 1 7.040 0.02 . 3 . . . . 107 PHE HD1 . 15200 1 1267 . 1 1 107 107 PHE HD2 H 1 7.040 0.02 . 3 . . . . 107 PHE HD2 . 15200 1 1268 . 1 1 107 107 PHE C C 13 177.100 0.3 . 1 . . . . 107 PHE C . 15200 1 1269 . 1 1 107 107 PHE CA C 13 58.100 0.3 . 1 . . . . 107 PHE CA . 15200 1 1270 . 1 1 107 107 PHE CB C 13 36.600 0.3 . 1 . . . . 107 PHE CB . 15200 1 1271 . 1 1 107 107 PHE CD1 C 13 128.800 0.3 . 1 . . . . 107 PHE CD1 . 15200 1 1272 . 1 1 107 107 PHE CD2 C 13 128.800 0.3 . 1 . . . . 107 PHE CD2 . 15200 1 1273 . 1 1 107 107 PHE CE1 C 13 125.700 0.3 . 1 . . . . 107 PHE CE1 . 15200 1 1274 . 1 1 107 107 PHE CE2 C 13 126.000 0.3 . 1 . . . . 107 PHE CE2 . 15200 1 1275 . 1 1 107 107 PHE CG C 13 134.000 0.3 . 1 . . . . 107 PHE CG . 15200 1 1276 . 1 1 107 107 PHE CZ C 13 125.400 0.3 . 1 . . . . 107 PHE CZ . 15200 1 1277 . 1 1 107 107 PHE N N 15 119.900 0.3 . 1 . . . . 107 PHE N . 15200 1 1278 . 1 1 108 108 LEU H H 1 8.910 0.02 . 1 . . . . 108 LEU H . 15200 1 1279 . 1 1 108 108 LEU HA H 1 3.620 0.02 . 1 . . . . 108 LEU HA . 15200 1 1280 . 1 1 108 108 LEU HB2 H 1 1.920 0.02 . 2 . . . . 108 LEU HB2 . 15200 1 1281 . 1 1 108 108 LEU HB3 H 1 1.370 0.02 . 2 . . . . 108 LEU HB3 . 15200 1 1282 . 1 1 108 108 LEU HD11 H 1 0.830 0.02 . 1 . . . . 108 LEU HD1 . 15200 1 1283 . 1 1 108 108 LEU HD12 H 1 0.830 0.02 . 1 . . . . 108 LEU HD1 . 15200 1 1284 . 1 1 108 108 LEU HD13 H 1 0.830 0.02 . 1 . . . . 108 LEU HD1 . 15200 1 1285 . 1 1 108 108 LEU HD21 H 1 0.870 0.02 . 1 . . . . 108 LEU HD2 . 15200 1 1286 . 1 1 108 108 LEU HD22 H 1 0.870 0.02 . 1 . . . . 108 LEU HD2 . 15200 1 1287 . 1 1 108 108 LEU HD23 H 1 0.870 0.02 . 1 . . . . 108 LEU HD2 . 15200 1 1288 . 1 1 108 108 LEU HG H 1 1.970 0.02 . 1 . . . . 108 LEU HG . 15200 1 1289 . 1 1 108 108 LEU C C 13 175.800 0.3 . 1 . . . . 108 LEU C . 15200 1 1290 . 1 1 108 108 LEU CA C 13 54.800 0.3 . 1 . . . . 108 LEU CA . 15200 1 1291 . 1 1 108 108 LEU CB C 13 38.200 0.3 . 1 . . . . 108 LEU CB . 15200 1 1292 . 1 1 108 108 LEU CD1 C 13 23.000 0.3 . 1 . . . . 108 LEU CD1 . 15200 1 1293 . 1 1 108 108 LEU CD2 C 13 19.100 0.3 . 1 . . . . 108 LEU CD2 . 15200 1 1294 . 1 1 108 108 LEU CG C 13 23.400 0.3 . 1 . . . . 108 LEU CG . 15200 1 1295 . 1 1 108 108 LEU N N 15 124.800 0.3 . 1 . . . . 108 LEU N . 15200 1 1296 . 1 1 109 109 ASP H H 1 8.060 0.02 . 1 . . . . 109 ASP H . 15200 1 1297 . 1 1 109 109 ASP HA H 1 4.570 0.02 . 1 . . . . 109 ASP HA . 15200 1 1298 . 1 1 109 109 ASP HB2 H 1 2.780 0.02 . 2 . . . . 109 ASP HB2 . 15200 1 1299 . 1 1 109 109 ASP HB3 H 1 2.660 0.02 . 2 . . . . 109 ASP HB3 . 15200 1 1300 . 1 1 109 109 ASP C C 13 174.000 0.3 . 1 . . . . 109 ASP C . 15200 1 1301 . 1 1 109 109 ASP CA C 13 51.900 0.3 . 1 . . . . 109 ASP CA . 15200 1 1302 . 1 1 109 109 ASP CB C 13 38.100 0.3 . 1 . . . . 109 ASP CB . 15200 1 1303 . 1 1 109 109 ASP CG C 13 176.800 0.3 . 1 . . . . 109 ASP CG . 15200 1 1304 . 1 1 109 109 ASP N N 15 117.800 0.3 . 1 . . . . 109 ASP N . 15200 1 1305 . 1 1 110 110 GLY H H 1 7.620 0.02 . 1 . . . . 110 GLY H . 15200 1 1306 . 1 1 110 110 GLY HA2 H 1 3.700 0.02 . 2 . . . . 110 GLY HA2 . 15200 1 1307 . 1 1 110 110 GLY HA3 H 1 3.920 0.02 . 2 . . . . 110 GLY HA3 . 15200 1 1308 . 1 1 110 110 GLY C C 13 173.500 0.3 . 1 . . . . 110 GLY C . 15200 1 1309 . 1 1 110 110 GLY CA C 13 43.600 0.3 . 1 . . . . 110 GLY CA . 15200 1 1310 . 1 1 110 110 GLY N N 15 108.000 0.3 . 1 . . . . 110 GLY N . 15200 1 1311 . 1 1 111 111 GLN H H 1 7.830 0.02 . 1 . . . . 111 GLN H . 15200 1 1312 . 1 1 111 111 GLN HA H 1 4.250 0.02 . 1 . . . . 111 GLN HA . 15200 1 1313 . 1 1 111 111 GLN HB2 H 1 2.390 0.02 . 2 . . . . 111 GLN HB2 . 15200 1 1314 . 1 1 111 111 GLN HB3 H 1 1.670 0.02 . 1 . . . . 111 GLN HB3 . 15200 1 1315 . 1 1 111 111 GLN HE21 H 1 7.320 0.02 . 1 . . . . 111 GLN HE21 . 15200 1 1316 . 1 1 111 111 GLN HE22 H 1 6.690 0.02 . 1 . . . . 111 GLN HE22 . 15200 1 1317 . 1 1 111 111 GLN HG2 H 1 2.200 0.02 . 2 . . . . 111 GLN HG2 . 15200 1 1318 . 1 1 111 111 GLN HG3 H 1 2.200 0.02 . 2 . . . . 111 GLN HG3 . 15200 1 1319 . 1 1 111 111 GLN C C 13 172.500 0.3 . 1 . . . . 111 GLN C . 15200 1 1320 . 1 1 111 111 GLN CA C 13 52.400 0.3 . 1 . . . . 111 GLN CA . 15200 1 1321 . 1 1 111 111 GLN CB C 13 26.500 0.3 . 1 . . . . 111 GLN CB . 15200 1 1322 . 1 1 111 111 GLN CD C 13 177.100 0.3 . 1 . . . . 111 GLN CD . 15200 1 1323 . 1 1 111 111 GLN CG C 13 30.800 0.3 . 1 . . . . 111 GLN CG . 15200 1 1324 . 1 1 111 111 GLN N N 15 115.700 0.3 . 1 . . . . 111 GLN N . 15200 1 1325 . 1 1 111 111 GLN NE2 N 15 112.000 0.3 . 1 . . . . 111 GLN NE2 . 15200 1 1326 . 1 1 112 112 VAL H H 1 8.240 0.02 . 1 . . . . 112 VAL H . 15200 1 1327 . 1 1 112 112 VAL HA H 1 4.540 0.02 . 1 . . . . 112 VAL HA . 15200 1 1328 . 1 1 112 112 VAL HB H 1 2.220 0.02 . 1 . . . . 112 VAL HB . 15200 1 1329 . 1 1 112 112 VAL HG11 H 1 1.040 0.02 . 1 . . . . 112 VAL HG1 . 15200 1 1330 . 1 1 112 112 VAL HG12 H 1 1.040 0.02 . 1 . . . . 112 VAL HG1 . 15200 1 1331 . 1 1 112 112 VAL HG13 H 1 1.040 0.02 . 1 . . . . 112 VAL HG1 . 15200 1 1332 . 1 1 112 112 VAL HG21 H 1 0.880 0.02 . 1 . . . . 112 VAL HG2 . 15200 1 1333 . 1 1 112 112 VAL HG22 H 1 0.880 0.02 . 1 . . . . 112 VAL HG2 . 15200 1 1334 . 1 1 112 112 VAL HG23 H 1 0.880 0.02 . 1 . . . . 112 VAL HG2 . 15200 1 1335 . 1 1 112 112 VAL C C 13 170.200 0.3 . 1 . . . . 112 VAL C . 15200 1 1336 . 1 1 112 112 VAL CA C 13 56.500 0.3 . 1 . . . . 112 VAL CA . 15200 1 1337 . 1 1 112 112 VAL CB C 13 31.600 0.3 . 1 . . . . 112 VAL CB . 15200 1 1338 . 1 1 112 112 VAL CG1 C 13 18.300 0.3 . 1 . . . . 112 VAL CG1 . 15200 1 1339 . 1 1 112 112 VAL CG2 C 13 18.000 0.3 . 1 . . . . 112 VAL CG2 . 15200 1 1340 . 1 1 112 112 VAL N N 15 121.600 0.3 . 1 . . . . 112 VAL N . 15200 1 1341 . 1 1 113 113 PRO HA H 1 4.440 0.02 . 1 . . . . 113 PRO HA . 15200 1 1342 . 1 1 113 113 PRO HB2 H 1 2.230 0.02 . 2 . . . . 113 PRO HB2 . 15200 1 1343 . 1 1 113 113 PRO HB3 H 1 1.870 0.02 . 2 . . . . 113 PRO HB3 . 15200 1 1344 . 1 1 113 113 PRO HD2 H 1 3.910 0.02 . 2 . . . . 113 PRO HD2 . 15200 1 1345 . 1 1 113 113 PRO HD3 H 1 3.780 0.02 . 2 . . . . 113 PRO HD3 . 15200 1 1346 . 1 1 113 113 PRO HG2 H 1 2.090 0.02 . 2 . . . . 113 PRO HG2 . 15200 1 1347 . 1 1 113 113 PRO HG3 H 1 1.960 0.02 . 2 . . . . 113 PRO HG3 . 15200 1 1348 . 1 1 113 113 PRO C C 13 173.900 0.3 . 1 . . . . 113 PRO C . 15200 1 1349 . 1 1 113 113 PRO CA C 13 59.600 0.3 . 1 . . . . 113 PRO CA . 15200 1 1350 . 1 1 113 113 PRO CB C 13 28.900 0.3 . 1 . . . . 113 PRO CB . 15200 1 1351 . 1 1 113 113 PRO CD C 13 48.400 0.3 . 1 . . . . 113 PRO CD . 15200 1 1352 . 1 1 113 113 PRO CG C 13 24.200 0.3 . 1 . . . . 113 PRO CG . 15200 1 1353 . 1 1 113 113 PRO N N 15 141.000 0.3 . 1 . . . . 113 PRO N . 15200 1 1354 . 1 1 114 114 MET H H 1 8.490 0.02 . 1 . . . . 114 MET H . 15200 1 1355 . 1 1 114 114 MET HA H 1 4.870 0.02 . 1 . . . . 114 MET HA . 15200 1 1356 . 1 1 114 114 MET HB2 H 1 2.070 0.02 . 2 . . . . 114 MET HB2 . 15200 1 1357 . 1 1 114 114 MET HB3 H 1 1.920 0.02 . 2 . . . . 114 MET HB3 . 15200 1 1358 . 1 1 114 114 MET HG2 H 1 2.780 0.02 . 2 . . . . 114 MET HG2 . 15200 1 1359 . 1 1 114 114 MET HG3 H 1 2.720 0.02 . 2 . . . . 114 MET HG3 . 15200 1 1360 . 1 1 114 114 MET C C 13 174.300 0.3 . 1 . . . . 114 MET C . 15200 1 1361 . 1 1 114 114 MET CA C 13 51.000 0.3 . 1 . . . . 114 MET CA . 15200 1 1362 . 1 1 114 114 MET CB C 13 31.400 0.3 . 1 . . . . 114 MET CB . 15200 1 1363 . 1 1 114 114 MET CE C 13 16.200 0.3 . 1 . . . . 114 MET CE . 15200 1 1364 . 1 1 114 114 MET CG C 13 29.300 0.3 . 1 . . . . 114 MET CG . 15200 1 1365 . 1 1 114 114 MET N N 15 121.700 0.3 . 1 . . . . 114 MET N . 15200 1 1366 . 1 1 115 115 ALA H H 1 9.090 0.02 . 1 . . . . 115 ALA H . 15200 1 1367 . 1 1 115 115 ALA HA H 1 4.250 0.02 . 1 . . . . 115 ALA HA . 15200 1 1368 . 1 1 115 115 ALA HB1 H 1 1.400 0.02 . 1 . . . . 115 ALA HB . 15200 1 1369 . 1 1 115 115 ALA HB2 H 1 1.400 0.02 . 1 . . . . 115 ALA HB . 15200 1 1370 . 1 1 115 115 ALA HB3 H 1 1.400 0.02 . 1 . . . . 115 ALA HB . 15200 1 1371 . 1 1 115 115 ALA C C 13 174.700 0.3 . 1 . . . . 115 ALA C . 15200 1 1372 . 1 1 115 115 ALA CA C 13 49.700 0.3 . 1 . . . . 115 ALA CA . 15200 1 1373 . 1 1 115 115 ALA CB C 13 17.200 0.3 . 1 . . . . 115 ALA CB . 15200 1 1374 . 1 1 115 115 ALA N N 15 127.300 0.3 . 1 . . . . 115 ALA N . 15200 1 1375 . 1 1 116 116 ALA H H 1 8.580 0.02 . 1 . . . . 116 ALA H . 15200 1 1376 . 1 1 116 116 ALA HA H 1 4.400 0.02 . 1 . . . . 116 ALA HA . 15200 1 1377 . 1 1 116 116 ALA HB1 H 1 1.340 0.02 . 1 . . . . 116 ALA HB . 15200 1 1378 . 1 1 116 116 ALA HB2 H 1 1.340 0.02 . 1 . . . . 116 ALA HB . 15200 1 1379 . 1 1 116 116 ALA HB3 H 1 1.340 0.02 . 1 . . . . 116 ALA HB . 15200 1 1380 . 1 1 116 116 ALA C C 13 174.400 0.3 . 1 . . . . 116 ALA C . 15200 1 1381 . 1 1 116 116 ALA CA C 13 49.200 0.3 . 1 . . . . 116 ALA CA . 15200 1 1382 . 1 1 116 116 ALA CB C 13 17.000 0.3 . 1 . . . . 116 ALA CB . 15200 1 1383 . 1 1 116 116 ALA N N 15 123.700 0.3 . 1 . . . . 116 ALA N . 15200 1 1384 . 1 1 117 117 GLY H H 1 7.510 0.02 . 1 . . . . 117 GLY H . 15200 1 1385 . 1 1 117 117 GLY HA2 H 1 3.560 0.02 . 2 . . . . 117 GLY HA2 . 15200 1 1386 . 1 1 117 117 GLY HA3 H 1 3.190 0.02 . 2 . . . . 117 GLY HA3 . 15200 1 1387 . 1 1 117 117 GLY C C 13 167.400 0.3 . 1 . . . . 117 GLY C . 15200 1 1388 . 1 1 117 117 GLY CA C 13 41.400 0.3 . 1 . . . . 117 GLY CA . 15200 1 1389 . 1 1 117 117 GLY N N 15 106.800 0.3 . 1 . . . . 117 GLY N . 15200 1 1390 . 1 1 118 118 PRO HA H 1 4.130 0.02 . 1 . . . . 118 PRO HA . 15200 1 1391 . 1 1 118 118 PRO HB2 H 1 2.040 0.02 . 2 . . . . 118 PRO HB2 . 15200 1 1392 . 1 1 118 118 PRO HB3 H 1 1.990 0.02 . 2 . . . . 118 PRO HB3 . 15200 1 1393 . 1 1 118 118 PRO HD2 H 1 3.390 0.02 . 2 . . . . 118 PRO HD2 . 15200 1 1394 . 1 1 118 118 PRO HD3 H 1 3.060 0.02 . 2 . . . . 118 PRO HD3 . 15200 1 1395 . 1 1 118 118 PRO HG2 H 1 1.900 0.02 . 2 . . . . 118 PRO HG2 . 15200 1 1396 . 1 1 118 118 PRO HG3 H 1 1.850 0.02 . 2 . . . . 118 PRO HG3 . 15200 1 1397 . 1 1 118 118 PRO C C 13 173.500 0.3 . 1 . . . . 118 PRO C . 15200 1 1398 . 1 1 118 118 PRO CA C 13 60.000 0.3 . 1 . . . . 118 PRO CA . 15200 1 1399 . 1 1 118 118 PRO CB C 13 29.700 0.3 . 1 . . . . 118 PRO CB . 15200 1 1400 . 1 1 118 118 PRO CD C 13 46.400 0.3 . 1 . . . . 118 PRO CD . 15200 1 1401 . 1 1 118 118 PRO CG C 13 23.900 0.3 . 1 . . . . 118 PRO CG . 15200 1 1402 . 1 1 118 118 PRO N N 15 131.900 0.3 . 1 . . . . 118 PRO N . 15200 1 1403 . 1 1 119 119 ASN H H 1 8.450 0.02 . 1 . . . . 119 ASN H . 15200 1 1404 . 1 1 119 119 ASN HA H 1 4.640 0.02 . 1 . . . . 119 ASN HA . 15200 1 1405 . 1 1 119 119 ASN HB2 H 1 2.820 0.02 . 2 . . . . 119 ASN HB2 . 15200 1 1406 . 1 1 119 119 ASN HB3 H 1 2.770 0.02 . 2 . . . . 119 ASN HB3 . 15200 1 1407 . 1 1 119 119 ASN HD21 H 1 7.430 0.02 . 1 . . . . 119 ASN HD21 . 15200 1 1408 . 1 1 119 119 ASN HD22 H 1 7.010 0.02 . 1 . . . . 119 ASN HD22 . 15200 1 1409 . 1 1 119 119 ASN C C 13 171.400 0.3 . 1 . . . . 119 ASN C . 15200 1 1410 . 1 1 119 119 ASN CA C 13 50.300 0.3 . 1 . . . . 119 ASN CA . 15200 1 1411 . 1 1 119 119 ASN CB C 13 35.800 0.3 . 1 . . . . 119 ASN CB . 15200 1 1412 . 1 1 119 119 ASN CG C 13 174.500 0.3 . 1 . . . . 119 ASN CG . 15200 1 1413 . 1 1 119 119 ASN N N 15 119.000 0.3 . 1 . . . . 119 ASN N . 15200 1 1414 . 1 1 119 119 ASN ND2 N 15 112.600 0.3 . 1 . . . . 119 ASN ND2 . 15200 1 1415 . 1 1 120 120 LYS H H 1 7.690 0.02 . 1 . . . . 120 LYS H . 15200 1 1416 . 1 1 120 120 LYS HA H 1 4.030 0.02 . 1 . . . . 120 LYS HA . 15200 1 1417 . 1 1 120 120 LYS HB2 H 1 1.730 0.02 . 2 . . . . 120 LYS HB2 . 15200 1 1418 . 1 1 120 120 LYS HB3 H 1 1.600 0.02 . 2 . . . . 120 LYS HB3 . 15200 1 1419 . 1 1 120 120 LYS HD2 H 1 1.590 0.02 . 2 . . . . 120 LYS HD2 . 15200 1 1420 . 1 1 120 120 LYS HD3 H 1 1.320 0.02 . 2 . . . . 120 LYS HD3 . 15200 1 1421 . 1 1 120 120 LYS HE2 H 1 2.880 0.02 . 2 . . . . 120 LYS HE2 . 15200 1 1422 . 1 1 120 120 LYS HE3 H 1 2.880 0.02 . 2 . . . . 120 LYS HE3 . 15200 1 1423 . 1 1 120 120 LYS HG2 H 1 1.320 0.02 . 2 . . . . 120 LYS HG2 . 15200 1 1424 . 1 1 120 120 LYS HG3 H 1 1.320 0.02 . 2 . . . . 120 LYS HG3 . 15200 1 1425 . 1 1 120 120 LYS C C 13 178.000 0.3 . 1 . . . . 120 LYS C . 15200 1 1426 . 1 1 120 120 LYS CA C 13 54.700 0.3 . 1 . . . . 120 LYS CA . 15200 1 1427 . 1 1 120 120 LYS CB C 13 31.200 0.3 . 1 . . . . 120 LYS CB . 15200 1 1428 . 1 1 120 120 LYS CD C 13 26.300 0.3 . 1 . . . . 120 LYS CD . 15200 1 1429 . 1 1 120 120 LYS CE C 13 39.200 0.3 . 1 . . . . 120 LYS CE . 15200 1 1430 . 1 1 120 120 LYS CG C 13 21.900 0.3 . 1 . . . . 120 LYS CG . 15200 1 1431 . 1 1 120 120 LYS N N 15 126.200 0.3 . 1 . . . . 120 LYS N . 15200 1 stop_ save_