data_27579 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27579 _Entry.Title ; Full Length Apo Pin1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-15 _Entry.Accession_date 2018-08-15 _Entry.Last_release_date 2018-08-16 _Entry.Original_release_date 2018-08-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone and side chain assignment of full length apo Pin1, a peptidyl-prolyl isomerase specific for pS/T-P motifs.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Alexandra Born . . . . 27579 2 Beat Vogeli . . . . 27579 3 Peter Bayer . . . . 27579 4 'Shin Ichi' Tate . . . . 27579 5 Parker Nichols . . . . 27579 6 Morkos Henen . . . . 27579 7 Dean Strotz . . . . 27579 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Colorado Denver' . 27579 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27579 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 545 27579 '15N chemical shifts' 168 27579 '1H chemical shifts' 1088 27579 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-04-11 2018-08-15 update BMRB 'update entry citation' 27579 1 . . 2018-10-24 2018-08-15 original author 'original release' 27579 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27579 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-018-9857-9 _Citation.PubMed_ID 30353504 _Citation.Full_citation . _Citation.Title ; Backbone and side-chain chemical shift assignments of full-length, apo, human Pin1, a phosphoprotein regulator with interdomain allostery ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _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 85 _Citation.Page_last 89 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexandra Born . . . . 27579 1 2 Parker Nichols . J. . . 27579 1 3 Morkos Henen . A. . . 27579 1 4 Celestine Chi . N. . . 27579 1 5 Dean Strotz . . . . 27579 1 6 Peter Bayer . . . . 27579 1 7 Shin-Ichi Tate . . . . 27579 1 8 Jeffrey Peng . W. . . 27579 1 9 Beat Vogeli . . . . 27579 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27579 _Assembly.ID 1 _Assembly.Name Pin1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Pin1 1 $Pin1 A . yes native no no . . . 27579 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pin1 _Entity.Sf_category entity _Entity.Sf_framecode Pin1 _Entity.Entry_ID 27579 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pin1 _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 ; MADEEKLPPGWEKRMSRSSG RVYYFNHITNASQWERPSGN SSSGGKNGQGEPARVRCSHL LVKHSQSRRPSSWRQEKITR TKEEALELINGYIQKIKSGE EDFESLASQFSDCSSAKARG DLGAFSRGQMQKPFEDASFA LRTGEMSGPVFTDSGIHIIL RTE ; _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 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Peptidyl-prolyl cis-trans isomerase specific for phospho-Ser/Thr-Pro motifs' 27579 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27579 1 2 . ALA . 27579 1 3 . ASP . 27579 1 4 . GLU . 27579 1 5 . GLU . 27579 1 6 . LYS . 27579 1 7 . LEU . 27579 1 8 . PRO . 27579 1 9 . PRO . 27579 1 10 . GLY . 27579 1 11 . TRP . 27579 1 12 . GLU . 27579 1 13 . LYS . 27579 1 14 . ARG . 27579 1 15 . MET . 27579 1 16 . SER . 27579 1 17 . ARG . 27579 1 18 . SER . 27579 1 19 . SER . 27579 1 20 . GLY . 27579 1 21 . ARG . 27579 1 22 . VAL . 27579 1 23 . TYR . 27579 1 24 . TYR . 27579 1 25 . PHE . 27579 1 26 . ASN . 27579 1 27 . HIS . 27579 1 28 . ILE . 27579 1 29 . THR . 27579 1 30 . ASN . 27579 1 31 . ALA . 27579 1 32 . SER . 27579 1 33 . GLN . 27579 1 34 . TRP . 27579 1 35 . GLU . 27579 1 36 . ARG . 27579 1 37 . PRO . 27579 1 38 . SER . 27579 1 39 . GLY . 27579 1 40 . ASN . 27579 1 41 . SER . 27579 1 42 . SER . 27579 1 43 . SER . 27579 1 44 . GLY . 27579 1 45 . GLY . 27579 1 46 . LYS . 27579 1 47 . ASN . 27579 1 48 . GLY . 27579 1 49 . GLN . 27579 1 50 . GLY . 27579 1 51 . GLU . 27579 1 52 . PRO . 27579 1 53 . ALA . 27579 1 54 . ARG . 27579 1 55 . VAL . 27579 1 56 . ARG . 27579 1 57 . CYS . 27579 1 58 . SER . 27579 1 59 . HIS . 27579 1 60 . LEU . 27579 1 61 . LEU . 27579 1 62 . VAL . 27579 1 63 . LYS . 27579 1 64 . HIS . 27579 1 65 . SER . 27579 1 66 . GLN . 27579 1 67 . SER . 27579 1 68 . ARG . 27579 1 69 . ARG . 27579 1 70 . PRO . 27579 1 71 . SER . 27579 1 72 . SER . 27579 1 73 . TRP . 27579 1 74 . ARG . 27579 1 75 . GLN . 27579 1 76 . GLU . 27579 1 77 . LYS . 27579 1 78 . ILE . 27579 1 79 . THR . 27579 1 80 . ARG . 27579 1 81 . THR . 27579 1 82 . LYS . 27579 1 83 . GLU . 27579 1 84 . GLU . 27579 1 85 . ALA . 27579 1 86 . LEU . 27579 1 87 . GLU . 27579 1 88 . LEU . 27579 1 89 . ILE . 27579 1 90 . ASN . 27579 1 91 . GLY . 27579 1 92 . TYR . 27579 1 93 . ILE . 27579 1 94 . GLN . 27579 1 95 . LYS . 27579 1 96 . ILE . 27579 1 97 . LYS . 27579 1 98 . SER . 27579 1 99 . GLY . 27579 1 100 . GLU . 27579 1 101 . GLU . 27579 1 102 . ASP . 27579 1 103 . PHE . 27579 1 104 . GLU . 27579 1 105 . SER . 27579 1 106 . LEU . 27579 1 107 . ALA . 27579 1 108 . SER . 27579 1 109 . GLN . 27579 1 110 . PHE . 27579 1 111 . SER . 27579 1 112 . ASP . 27579 1 113 . CYS . 27579 1 114 . SER . 27579 1 115 . SER . 27579 1 116 . ALA . 27579 1 117 . LYS . 27579 1 118 . ALA . 27579 1 119 . ARG . 27579 1 120 . GLY . 27579 1 121 . ASP . 27579 1 122 . LEU . 27579 1 123 . GLY . 27579 1 124 . ALA . 27579 1 125 . PHE . 27579 1 126 . SER . 27579 1 127 . ARG . 27579 1 128 . GLY . 27579 1 129 . GLN . 27579 1 130 . MET . 27579 1 131 . GLN . 27579 1 132 . LYS . 27579 1 133 . PRO . 27579 1 134 . PHE . 27579 1 135 . GLU . 27579 1 136 . ASP . 27579 1 137 . ALA . 27579 1 138 . SER . 27579 1 139 . PHE . 27579 1 140 . ALA . 27579 1 141 . LEU . 27579 1 142 . ARG . 27579 1 143 . THR . 27579 1 144 . GLY . 27579 1 145 . GLU . 27579 1 146 . MET . 27579 1 147 . SER . 27579 1 148 . GLY . 27579 1 149 . PRO . 27579 1 150 . VAL . 27579 1 151 . PHE . 27579 1 152 . THR . 27579 1 153 . ASP . 27579 1 154 . SER . 27579 1 155 . GLY . 27579 1 156 . ILE . 27579 1 157 . HIS . 27579 1 158 . ILE . 27579 1 159 . ILE . 27579 1 160 . LEU . 27579 1 161 . ARG . 27579 1 162 . THR . 27579 1 163 . GLU . 27579 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27579 1 . ALA 2 2 27579 1 . ASP 3 3 27579 1 . GLU 4 4 27579 1 . GLU 5 5 27579 1 . LYS 6 6 27579 1 . LEU 7 7 27579 1 . PRO 8 8 27579 1 . PRO 9 9 27579 1 . GLY 10 10 27579 1 . TRP 11 11 27579 1 . GLU 12 12 27579 1 . LYS 13 13 27579 1 . ARG 14 14 27579 1 . MET 15 15 27579 1 . SER 16 16 27579 1 . ARG 17 17 27579 1 . SER 18 18 27579 1 . SER 19 19 27579 1 . GLY 20 20 27579 1 . ARG 21 21 27579 1 . VAL 22 22 27579 1 . TYR 23 23 27579 1 . TYR 24 24 27579 1 . PHE 25 25 27579 1 . ASN 26 26 27579 1 . HIS 27 27 27579 1 . ILE 28 28 27579 1 . THR 29 29 27579 1 . ASN 30 30 27579 1 . ALA 31 31 27579 1 . SER 32 32 27579 1 . GLN 33 33 27579 1 . TRP 34 34 27579 1 . GLU 35 35 27579 1 . ARG 36 36 27579 1 . PRO 37 37 27579 1 . SER 38 38 27579 1 . GLY 39 39 27579 1 . ASN 40 40 27579 1 . SER 41 41 27579 1 . SER 42 42 27579 1 . SER 43 43 27579 1 . GLY 44 44 27579 1 . GLY 45 45 27579 1 . LYS 46 46 27579 1 . ASN 47 47 27579 1 . GLY 48 48 27579 1 . GLN 49 49 27579 1 . GLY 50 50 27579 1 . GLU 51 51 27579 1 . PRO 52 52 27579 1 . ALA 53 53 27579 1 . ARG 54 54 27579 1 . VAL 55 55 27579 1 . ARG 56 56 27579 1 . CYS 57 57 27579 1 . SER 58 58 27579 1 . HIS 59 59 27579 1 . LEU 60 60 27579 1 . LEU 61 61 27579 1 . VAL 62 62 27579 1 . LYS 63 63 27579 1 . HIS 64 64 27579 1 . SER 65 65 27579 1 . GLN 66 66 27579 1 . SER 67 67 27579 1 . ARG 68 68 27579 1 . ARG 69 69 27579 1 . PRO 70 70 27579 1 . SER 71 71 27579 1 . SER 72 72 27579 1 . TRP 73 73 27579 1 . ARG 74 74 27579 1 . GLN 75 75 27579 1 . GLU 76 76 27579 1 . LYS 77 77 27579 1 . ILE 78 78 27579 1 . THR 79 79 27579 1 . ARG 80 80 27579 1 . THR 81 81 27579 1 . LYS 82 82 27579 1 . GLU 83 83 27579 1 . GLU 84 84 27579 1 . ALA 85 85 27579 1 . LEU 86 86 27579 1 . GLU 87 87 27579 1 . LEU 88 88 27579 1 . ILE 89 89 27579 1 . ASN 90 90 27579 1 . GLY 91 91 27579 1 . TYR 92 92 27579 1 . ILE 93 93 27579 1 . GLN 94 94 27579 1 . LYS 95 95 27579 1 . ILE 96 96 27579 1 . LYS 97 97 27579 1 . SER 98 98 27579 1 . GLY 99 99 27579 1 . GLU 100 100 27579 1 . GLU 101 101 27579 1 . ASP 102 102 27579 1 . PHE 103 103 27579 1 . GLU 104 104 27579 1 . SER 105 105 27579 1 . LEU 106 106 27579 1 . ALA 107 107 27579 1 . SER 108 108 27579 1 . GLN 109 109 27579 1 . PHE 110 110 27579 1 . SER 111 111 27579 1 . ASP 112 112 27579 1 . CYS 113 113 27579 1 . SER 114 114 27579 1 . SER 115 115 27579 1 . ALA 116 116 27579 1 . LYS 117 117 27579 1 . ALA 118 118 27579 1 . ARG 119 119 27579 1 . GLY 120 120 27579 1 . ASP 121 121 27579 1 . LEU 122 122 27579 1 . GLY 123 123 27579 1 . ALA 124 124 27579 1 . PHE 125 125 27579 1 . SER 126 126 27579 1 . ARG 127 127 27579 1 . GLY 128 128 27579 1 . GLN 129 129 27579 1 . MET 130 130 27579 1 . GLN 131 131 27579 1 . LYS 132 132 27579 1 . PRO 133 133 27579 1 . PHE 134 134 27579 1 . GLU 135 135 27579 1 . ASP 136 136 27579 1 . ALA 137 137 27579 1 . SER 138 138 27579 1 . PHE 139 139 27579 1 . ALA 140 140 27579 1 . LEU 141 141 27579 1 . ARG 142 142 27579 1 . THR 143 143 27579 1 . GLY 144 144 27579 1 . GLU 145 145 27579 1 . MET 146 146 27579 1 . SER 147 147 27579 1 . GLY 148 148 27579 1 . PRO 149 149 27579 1 . VAL 150 150 27579 1 . PHE 151 151 27579 1 . THR 152 152 27579 1 . ASP 153 153 27579 1 . SER 154 154 27579 1 . GLY 155 155 27579 1 . ILE 156 156 27579 1 . HIS 157 157 27579 1 . ILE 158 158 27579 1 . ILE 159 159 27579 1 . LEU 160 160 27579 1 . ARG 161 161 27579 1 . THR 162 162 27579 1 . GLU 163 163 27579 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 27579 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Pin1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . PIN1 . 27579 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 27579 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Pin1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET-28a(+) . . . 27579 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27579 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 97%H2O/3%D2O _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Pin1 '[U-99% 13C; U-99% 15N]' . . 1 $Pin1 . . 2 . . mM . . . . 27579 1 2 D2O 'natural abundance' . . . . . . 3 . . % . . . . 27579 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27579 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27579 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27579 1 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 27579 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27579 _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' 50 . mM 27579 1 pH 6.5 . pH 27579 1 pressure 1 . atm 27579 1 temperature 298 . K 27579 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27579 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27579 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27579 1 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 27579 _Software.ID 2 _Software.Type . _Software.Name CcpNMR_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27579 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27579 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 27579 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 27579 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 900 . . . 27579 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 27579 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27579 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27579 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27579 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27579 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27579 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27579 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27579 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27579 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27579 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 27579 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'methyl carbon' . . . . ppm 0 na indirect 1 . . . . . 27579 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 27579 1 N 15 na nitrogen . . . . ppm 0 na indirect 1 . . . . . 27579 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 27579 _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' . . . 27579 1 2 '2D 1H-13C HSQC aliphatic' . . . 27579 1 3 '2D 1H-13C HSQC aromatic' . . . 27579 1 4 '3D CBCA(CO)NH' . . . 27579 1 5 '3D HNCA' . . . 27579 1 6 '3D HNCACB' . . . 27579 1 7 '3D HBHA(CO)NH' . . . 27579 1 8 '3D HCCH-TOCSY' . . . 27579 1 9 '3D HNHA' . . . 27579 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.401 0.100 . 1 . . . . . 1 MET HA . 27579 1 2 . 1 1 1 1 MET HB2 H 1 2.034 0.100 . 2 . . . . . 1 MET HB2 . 27579 1 3 . 1 1 1 1 MET HB3 H 1 1.916 0.100 . 2 . . . . . 1 MET HB3 . 27579 1 4 . 1 1 1 1 MET HG2 H 1 2.414 0.100 . 2 . . . . . 1 MET HG2 . 27579 1 5 . 1 1 1 1 MET HG3 H 1 2.496 0.100 . 2 . . . . . 1 MET HG3 . 27579 1 6 . 1 1 1 1 MET HE1 H 1 2.055 0.100 . 1 . . . . . 1 MET QE . 27579 1 7 . 1 1 1 1 MET HE2 H 1 2.055 0.100 . 1 . . . . . 1 MET QE . 27579 1 8 . 1 1 1 1 MET HE3 H 1 2.055 0.100 . 1 . . . . . 1 MET QE . 27579 1 9 . 1 1 1 1 MET CA C 13 55.568 1.500 . 1 . . . . . 1 MET CA . 27579 1 10 . 1 1 1 1 MET CB C 13 32.866 1.500 . 1 . . . . . 1 MET CB . 27579 1 11 . 1 1 1 1 MET CG C 13 32.017 1.500 . 1 . . . . . 1 MET CG . 27579 1 12 . 1 1 1 1 MET CE C 13 17.009 1.500 . 1 . . . . . 1 MET CE . 27579 1 13 . 1 1 2 2 ALA H H 1 8.358 0.100 . 1 . . . . . 2 ALA H . 27579 1 14 . 1 1 2 2 ALA HA H 1 4.282 0.100 . 1 . . . . . 2 ALA HA . 27579 1 15 . 1 1 2 2 ALA HB1 H 1 1.371 0.100 . 1 . . . . . 2 ALA QB . 27579 1 16 . 1 1 2 2 ALA HB2 H 1 1.371 0.100 . 1 . . . . . 2 ALA QB . 27579 1 17 . 1 1 2 2 ALA HB3 H 1 1.371 0.100 . 1 . . . . . 2 ALA QB . 27579 1 18 . 1 1 2 2 ALA CA C 13 52.645 1.500 . 1 . . . . . 2 ALA CA . 27579 1 19 . 1 1 2 2 ALA CB C 13 19.255 1.500 . 1 . . . . . 2 ALA CB . 27579 1 20 . 1 1 2 2 ALA N N 15 125.022 1.500 . 1 . . . . . 2 ALA N . 27579 1 21 . 1 1 3 3 ASP H H 1 8.281 0.100 . 1 . . . . . 3 ASP H . 27579 1 22 . 1 1 3 3 ASP HA H 1 4.541 0.100 . 1 . . . . . 3 ASP HA . 27579 1 23 . 1 1 3 3 ASP HB2 H 1 2.611 0.100 . 2 . . . . . 3 ASP HB2 . 27579 1 24 . 1 1 3 3 ASP HB3 H 1 2.691 0.100 . 2 . . . . . 3 ASP HB3 . 27579 1 25 . 1 1 3 3 ASP CA C 13 54.634 1.500 . 1 . . . . . 3 ASP CA . 27579 1 26 . 1 1 3 3 ASP CB C 13 41.155 1.500 . 1 . . . . . 3 ASP CB . 27579 1 27 . 1 1 3 3 ASP N N 15 119.630 1.500 . 1 . . . . . 3 ASP N . 27579 1 28 . 1 1 4 4 GLU H H 1 8.319 0.100 . 1 . . . . . 4 GLU H . 27579 1 29 . 1 1 4 4 GLU HA H 1 4.238 0.100 . 1 . . . . . 4 GLU HA . 27579 1 30 . 1 1 4 4 GLU HB2 H 1 2.038 0.100 . 2 . . . . . 4 GLU HB2 . 27579 1 31 . 1 1 4 4 GLU HB3 H 1 1.939 0.100 . 2 . . . . . 4 GLU HB3 . 27579 1 32 . 1 1 4 4 GLU CA C 13 56.722 1.500 . 1 . . . . . 4 GLU CA . 27579 1 33 . 1 1 4 4 GLU CB C 13 30.489 1.500 . 1 . . . . . 4 GLU CB . 27579 1 34 . 1 1 4 4 GLU CG C 13 36.419 1.500 . 1 . . . . . 4 GLU CG . 27579 1 35 . 1 1 4 4 GLU N N 15 120.872 1.500 . 1 . . . . . 4 GLU N . 27579 1 36 . 1 1 5 5 GLU H H 1 8.336 0.100 . 1 . . . . . 5 GLU H . 27579 1 37 . 1 1 5 5 GLU HA H 1 4.230 0.100 . 1 . . . . . 5 GLU HA . 27579 1 38 . 1 1 5 5 GLU HB2 H 1 2.015 0.100 . 2 . . . . . 5 GLU HB2 . 27579 1 39 . 1 1 5 5 GLU HB3 H 1 1.943 0.100 . 2 . . . . . 5 GLU HB3 . 27579 1 40 . 1 1 5 5 GLU CA C 13 56.405 1.500 . 1 . . . . . 5 GLU CA . 27579 1 41 . 1 1 5 5 GLU CB C 13 30.397 1.500 . 1 . . . . . 5 GLU CB . 27579 1 42 . 1 1 5 5 GLU CG C 13 36.452 1.500 . 1 . . . . . 5 GLU CG . 27579 1 43 . 1 1 5 5 GLU N N 15 121.898 1.500 . 1 . . . . . 5 GLU N . 27579 1 44 . 1 1 6 6 LYS H H 1 8.271 0.100 . 1 . . . . . 6 LYS H . 27579 1 45 . 1 1 6 6 LYS HA H 1 4.290 0.100 . 1 . . . . . 6 LYS HA . 27579 1 46 . 1 1 6 6 LYS HB2 H 1 1.819 0.100 . 2 . . . . . 6 LYS HB2 . 27579 1 47 . 1 1 6 6 LYS HB3 H 1 1.743 0.100 . 2 . . . . . 6 LYS HB3 . 27579 1 48 . 1 1 6 6 LYS HG2 H 1 1.370 0.100 . 2 . . . . . 6 LYS HG2 . 27579 1 49 . 1 1 6 6 LYS HG3 H 1 1.445 0.100 . 2 . . . . . 6 LYS HG3 . 27579 1 50 . 1 1 6 6 LYS HD2 H 1 1.650 0.100 . 2 . . . . . 6 LYS HD2 . 27579 1 51 . 1 1 6 6 LYS HD3 H 1 1.685 0.100 . 2 . . . . . 6 LYS HD3 . 27579 1 52 . 1 1 6 6 LYS HE2 H 1 2.966 0.100 . 2 . . . . . 6 LYS HE2 . 27579 1 53 . 1 1 6 6 LYS HE3 H 1 3.008 0.100 . 2 . . . . . 6 LYS HE3 . 27579 1 54 . 1 1 6 6 LYS CA C 13 56.481 1.500 . 1 . . . . . 6 LYS CA . 27579 1 55 . 1 1 6 6 LYS CB C 13 32.844 1.500 . 1 . . . . . 6 LYS CB . 27579 1 56 . 1 1 6 6 LYS CG C 13 24.758 1.500 . 1 . . . . . 6 LYS CG . 27579 1 57 . 1 1 6 6 LYS CD C 13 29.052 1.500 . 1 . . . . . 6 LYS CD . 27579 1 58 . 1 1 6 6 LYS CE C 13 42.233 1.500 . 1 . . . . . 6 LYS CE . 27579 1 59 . 1 1 6 6 LYS N N 15 123.554 1.500 . 1 . . . . . 6 LYS N . 27579 1 60 . 1 1 7 7 LEU H H 1 8.549 0.100 . 1 . . . . . 7 LEU H . 27579 1 61 . 1 1 7 7 LEU HA H 1 4.599 0.100 . 1 . . . . . 7 LEU HA . 27579 1 62 . 1 1 7 7 LEU HB2 H 1 1.804 0.100 . 1 . . . . . 7 LEU HB2 . 27579 1 63 . 1 1 7 7 LEU HB3 H 1 1.376 0.100 . 1 . . . . . 7 LEU HB3 . 27579 1 64 . 1 1 7 7 LEU HG H 1 1.837 0.100 . 1 . . . . . 7 LEU HG . 27579 1 65 . 1 1 7 7 LEU HD11 H 1 1.061 0.100 . 1 . . . . . 7 LEU QD1 . 27579 1 66 . 1 1 7 7 LEU HD12 H 1 1.061 0.100 . 1 . . . . . 7 LEU QD1 . 27579 1 67 . 1 1 7 7 LEU HD13 H 1 1.061 0.100 . 1 . . . . . 7 LEU QD1 . 27579 1 68 . 1 1 7 7 LEU HD21 H 1 0.777 0.100 . 1 . . . . . 7 LEU QD2 . 27579 1 69 . 1 1 7 7 LEU HD22 H 1 0.777 0.100 . 1 . . . . . 7 LEU QD2 . 27579 1 70 . 1 1 7 7 LEU HD23 H 1 0.777 0.100 . 1 . . . . . 7 LEU QD2 . 27579 1 71 . 1 1 7 7 LEU CA C 13 52.767 1.500 . 1 . . . . . 7 LEU CA . 27579 1 72 . 1 1 7 7 LEU CB C 13 42.165 1.500 . 1 . . . . . 7 LEU CB . 27579 1 73 . 1 1 7 7 LEU CG C 13 27.229 1.500 . 1 . . . . . 7 LEU CG . 27579 1 74 . 1 1 7 7 LEU CD1 C 13 26.429 1.500 . 1 . . . . . 7 LEU CD1 . 27579 1 75 . 1 1 7 7 LEU CD2 C 13 23.727 1.500 . 1 . . . . . 7 LEU CD2 . 27579 1 76 . 1 1 7 7 LEU N N 15 125.009 1.500 . 1 . . . . . 7 LEU N . 27579 1 77 . 1 1 8 8 PRO HA H 1 4.831 0.100 . 1 . . . . . 8 PRO HA . 27579 1 78 . 1 1 8 8 PRO HB2 H 1 1.998 0.100 . 1 . . . . . 8 PRO HB2 . 27579 1 79 . 1 1 8 8 PRO HB3 H 1 2.577 0.100 . 1 . . . . . 8 PRO HB3 . 27579 1 80 . 1 1 8 8 PRO HG2 H 1 1.635 0.100 . 1 . . . . . 8 PRO HG2 . 27579 1 81 . 1 1 8 8 PRO HG3 H 1 1.770 0.100 . 1 . . . . . 8 PRO HG3 . 27579 1 82 . 1 1 8 8 PRO HD2 H 1 3.662 0.100 . 1 . . . . . 8 PRO HD2 . 27579 1 83 . 1 1 8 8 PRO HD3 H 1 3.006 0.100 . 1 . . . . . 8 PRO HD3 . 27579 1 84 . 1 1 8 8 PRO CA C 13 61.413 1.500 . 1 . . . . . 8 PRO CA . 27579 1 85 . 1 1 8 8 PRO CB C 13 29.691 1.500 . 1 . . . . . 8 PRO CB . 27579 1 86 . 1 1 8 8 PRO CG C 13 27.264 1.500 . 1 . . . . . 8 PRO CG . 27579 1 87 . 1 1 8 8 PRO CD C 13 50.397 1.500 . 1 . . . . . 8 PRO CD . 27579 1 88 . 1 1 9 9 PRO HA H 1 4.348 0.100 . 1 . . . . . 9 PRO HA . 27579 1 89 . 1 1 9 9 PRO HB2 H 1 2.327 0.100 . 2 . . . . . 9 PRO HB2 . 27579 1 90 . 1 1 9 9 PRO HB3 H 1 1.856 0.100 . 2 . . . . . 9 PRO HB3 . 27579 1 91 . 1 1 9 9 PRO HG2 H 1 2.039 0.100 . 2 . . . . . 9 PRO HG2 . 27579 1 92 . 1 1 9 9 PRO HG3 H 1 2.143 0.100 . 2 . . . . . 9 PRO HG3 . 27579 1 93 . 1 1 9 9 PRO HD2 H 1 3.897 0.100 . 2 . . . . . 9 PRO HD2 . 27579 1 94 . 1 1 9 9 PRO HD3 H 1 3.620 0.100 . 2 . . . . . 9 PRO HD3 . 27579 1 95 . 1 1 9 9 PRO CA C 13 64.423 1.500 . 1 . . . . . 9 PRO CA . 27579 1 96 . 1 1 9 9 PRO CB C 13 32.049 1.500 . 1 . . . . . 9 PRO CB . 27579 1 97 . 1 1 9 9 PRO CG C 13 27.707 1.500 . 1 . . . . . 9 PRO CG . 27579 1 98 . 1 1 9 9 PRO CD C 13 50.696 1.500 . 1 . . . . . 9 PRO CD . 27579 1 99 . 1 1 10 10 GLY H H 1 8.753 0.100 . 1 . . . . . 10 GLY H . 27579 1 100 . 1 1 10 10 GLY HA2 H 1 3.211 0.100 . 1 . . . . . 10 GLY HA2 . 27579 1 101 . 1 1 10 10 GLY HA3 H 1 3.989 0.100 . 1 . . . . . 10 GLY HA3 . 27579 1 102 . 1 1 10 10 GLY CA C 13 45.108 1.500 . 1 . . . . . 10 GLY CA . 27579 1 103 . 1 1 10 10 GLY N N 15 111.912 1.500 . 1 . . . . . 10 GLY N . 27579 1 104 . 1 1 11 11 TRP H H 1 7.402 0.100 . 1 . . . . . 11 TRP H . 27579 1 105 . 1 1 11 11 TRP HA H 1 5.186 0.100 . 1 . . . . . 11 TRP HA . 27579 1 106 . 1 1 11 11 TRP HB2 H 1 3.244 0.100 . 1 . . . . . 11 TRP HB2 . 27579 1 107 . 1 1 11 11 TRP HB3 H 1 2.948 0.100 . 1 . . . . . 11 TRP HB3 . 27579 1 108 . 1 1 11 11 TRP HD1 H 1 6.955 0.100 . 1 . . . . . 11 TRP HD1 . 27579 1 109 . 1 1 11 11 TRP HE1 H 1 10.470 0.100 . 1 . . . . . 11 TRP HE1 . 27579 1 110 . 1 1 11 11 TRP HE3 H 1 7.372 0.100 . 1 . . . . . 11 TRP HE3 . 27579 1 111 . 1 1 11 11 TRP HZ2 H 1 7.429 0.100 . 1 . . . . . 11 TRP HZ2 . 27579 1 112 . 1 1 11 11 TRP HZ3 H 1 6.890 0.100 . 1 . . . . . 11 TRP HZ3 . 27579 1 113 . 1 1 11 11 TRP HH2 H 1 6.959 0.100 . 1 . . . . . 11 TRP HH2 . 27579 1 114 . 1 1 11 11 TRP CA C 13 57.394 1.500 . 1 . . . . . 11 TRP CA . 27579 1 115 . 1 1 11 11 TRP CB C 13 32.411 1.500 . 1 . . . . . 11 TRP CB . 27579 1 116 . 1 1 11 11 TRP CD1 C 13 127.685 1.500 . 1 . . . . . 11 TRP CD1 . 27579 1 117 . 1 1 11 11 TRP CE3 C 13 120.264 1.500 . 1 . . . . . 11 TRP CE3 . 27579 1 118 . 1 1 11 11 TRP CZ2 C 13 115.173 1.500 . 1 . . . . . 11 TRP CZ2 . 27579 1 119 . 1 1 11 11 TRP CZ3 C 13 122.834 1.500 . 1 . . . . . 11 TRP CZ3 . 27579 1 120 . 1 1 11 11 TRP CH2 C 13 125.274 1.500 . 1 . . . . . 11 TRP CH2 . 27579 1 121 . 1 1 11 11 TRP N N 15 117.474 1.500 . 1 . . . . . 11 TRP N . 27579 1 122 . 1 1 11 11 TRP NE1 N 15 129.173 1.500 . 1 . . . . . 11 TRP NE1 . 27579 1 123 . 1 1 12 12 GLU H H 1 9.737 0.100 . 1 . . . . . 12 GLU H . 27579 1 124 . 1 1 12 12 GLU HA H 1 4.841 0.100 . 1 . . . . . 12 GLU HA . 27579 1 125 . 1 1 12 12 GLU HB2 H 1 2.172 0.100 . 2 . . . . . 12 GLU HB2 . 27579 1 126 . 1 1 12 12 GLU HB3 H 1 2.223 0.100 . 2 . . . . . 12 GLU HB3 . 27579 1 127 . 1 1 12 12 GLU HG2 H 1 2.523 0.100 . 1 . . . . . 12 GLU HG2 . 27579 1 128 . 1 1 12 12 GLU HG3 H 1 2.285 0.100 . 1 . . . . . 12 GLU HG3 . 27579 1 129 . 1 1 12 12 GLU CA C 13 54.736 1.500 . 1 . . . . . 12 GLU CA . 27579 1 130 . 1 1 12 12 GLU CB C 13 34.598 1.500 . 1 . . . . . 12 GLU CB . 27579 1 131 . 1 1 12 12 GLU CG C 13 36.433 1.500 . 1 . . . . . 12 GLU CG . 27579 1 132 . 1 1 12 12 GLU N N 15 120.512 1.500 . 1 . . . . . 12 GLU N . 27579 1 133 . 1 1 13 13 LYS H H 1 8.889 0.100 . 1 . . . . . 13 LYS H . 27579 1 134 . 1 1 13 13 LYS HA H 1 4.396 0.100 . 1 . . . . . 13 LYS HA . 27579 1 135 . 1 1 13 13 LYS HB2 H 1 1.589 0.100 . 1 . . . . . 13 LYS HB2 . 27579 1 136 . 1 1 13 13 LYS HB3 H 1 1.734 0.100 . 1 . . . . . 13 LYS HB3 . 27579 1 137 . 1 1 13 13 LYS HG2 H 1 1.043 0.100 . 2 . . . . . 13 LYS HG2 . 27579 1 138 . 1 1 13 13 LYS HG3 H 1 1.027 0.100 . 2 . . . . . 13 LYS HG3 . 27579 1 139 . 1 1 13 13 LYS HD2 H 1 1.662 0.100 . 2 . . . . . 13 LYS HD2 . 27579 1 140 . 1 1 13 13 LYS HD3 H 1 1.700 0.100 . 2 . . . . . 13 LYS HD3 . 27579 1 141 . 1 1 13 13 LYS HE2 H 1 2.918 0.100 . 2 . . . . . 13 LYS QE . 27579 1 142 . 1 1 13 13 LYS HE3 H 1 2.918 0.100 . 2 . . . . . 13 LYS QE . 27579 1 143 . 1 1 13 13 LYS CA C 13 55.945 1.500 . 1 . . . . . 13 LYS CA . 27579 1 144 . 1 1 13 13 LYS CB C 13 34.001 1.500 . 1 . . . . . 13 LYS CB . 27579 1 145 . 1 1 13 13 LYS CG C 13 25.162 1.500 . 1 . . . . . 13 LYS CG . 27579 1 146 . 1 1 13 13 LYS CD C 13 29.894 1.500 . 1 . . . . . 13 LYS CD . 27579 1 147 . 1 1 13 13 LYS CE C 13 42.042 1.500 . 1 . . . . . 13 LYS CE . 27579 1 148 . 1 1 13 13 LYS N N 15 125.094 1.500 . 1 . . . . . 13 LYS N . 27579 1 149 . 1 1 14 14 ARG H H 1 8.782 0.100 . 1 . . . . . 14 ARG H . 27579 1 150 . 1 1 14 14 ARG HA H 1 4.421 0.100 . 1 . . . . . 14 ARG HA . 27579 1 151 . 1 1 14 14 ARG HB2 H 1 0.109 0.100 . 1 . . . . . 14 ARG HB2 . 27579 1 152 . 1 1 14 14 ARG HB3 H 1 1.255 0.100 . 1 . . . . . 14 ARG HB3 . 27579 1 153 . 1 1 14 14 ARG HG2 H 1 1.353 0.100 . 1 . . . . . 14 ARG HG2 . 27579 1 154 . 1 1 14 14 ARG HG3 H 1 1.205 0.100 . 1 . . . . . 14 ARG HG3 . 27579 1 155 . 1 1 14 14 ARG HD2 H 1 2.870 0.100 . 1 . . . . . 14 ARG HD2 . 27579 1 156 . 1 1 14 14 ARG HD3 H 1 2.620 0.100 . 1 . . . . . 14 ARG HD3 . 27579 1 157 . 1 1 14 14 ARG CA C 13 54.395 1.500 . 1 . . . . . 14 ARG CA . 27579 1 158 . 1 1 14 14 ARG CB C 13 34.492 1.500 . 1 . . . . . 14 ARG CB . 27579 1 159 . 1 1 14 14 ARG CG C 13 27.854 1.500 . 1 . . . . . 14 ARG CG . 27579 1 160 . 1 1 14 14 ARG CD C 13 43.572 1.500 . 1 . . . . . 14 ARG CD . 27579 1 161 . 1 1 14 14 ARG N N 15 126.753 1.500 . 1 . . . . . 14 ARG N . 27579 1 162 . 1 1 15 15 MET H H 1 8.175 0.100 . 1 . . . . . 15 MET H . 27579 1 163 . 1 1 15 15 MET HA H 1 4.910 0.100 . 1 . . . . . 15 MET HA . 27579 1 164 . 1 1 15 15 MET HB2 H 1 1.824 0.100 . 2 . . . . . 15 MET HB2 . 27579 1 165 . 1 1 15 15 MET HB3 H 1 1.842 0.100 . 2 . . . . . 15 MET HB3 . 27579 1 166 . 1 1 15 15 MET HG2 H 1 2.396 0.100 . 2 . . . . . 15 MET HG2 . 27579 1 167 . 1 1 15 15 MET HG3 H 1 2.238 0.100 . 2 . . . . . 15 MET HG3 . 27579 1 168 . 1 1 15 15 MET HE1 H 1 1.980 0.100 . 1 . . . . . 15 MET QE . 27579 1 169 . 1 1 15 15 MET HE2 H 1 1.980 0.100 . 1 . . . . . 15 MET QE . 27579 1 170 . 1 1 15 15 MET HE3 H 1 1.980 0.100 . 1 . . . . . 15 MET QE . 27579 1 171 . 1 1 15 15 MET CA C 13 54.037 1.500 . 1 . . . . . 15 MET CA . 27579 1 172 . 1 1 15 15 MET CB C 13 34.535 1.500 . 1 . . . . . 15 MET CB . 27579 1 173 . 1 1 15 15 MET CG C 13 31.843 1.500 . 1 . . . . . 15 MET CG . 27579 1 174 . 1 1 15 15 MET CE C 13 16.785 1.500 . 1 . . . . . 15 MET CE . 27579 1 175 . 1 1 15 15 MET N N 15 117.490 1.500 . 1 . . . . . 15 MET N . 27579 1 176 . 1 1 16 16 SER H H 1 8.992 0.100 . 1 . . . . . 16 SER H . 27579 1 177 . 1 1 16 16 SER HA H 1 4.797 0.100 . 1 . . . . . 16 SER HA . 27579 1 178 . 1 1 16 16 SER HB2 H 1 4.156 0.100 . 2 . . . . . 16 SER HB2 . 27579 1 179 . 1 1 16 16 SER HB3 H 1 4.241 0.100 . 2 . . . . . 16 SER HB3 . 27579 1 180 . 1 1 16 16 SER CA C 13 57.647 1.500 . 1 . . . . . 16 SER CA . 27579 1 181 . 1 1 16 16 SER CB C 13 63.355 1.500 . 1 . . . . . 16 SER CB . 27579 1 182 . 1 1 16 16 SER N N 15 121.114 1.500 . 1 . . . . . 16 SER N . 27579 1 183 . 1 1 17 17 ARG HA H 1 4.132 0.100 . 1 . . . . . 17 ARG HA . 27579 1 184 . 1 1 17 17 ARG HB2 H 1 1.921 0.100 . 2 . . . . . 17 ARG HB2 . 27579 1 185 . 1 1 17 17 ARG HB3 H 1 1.924 0.100 . 2 . . . . . 17 ARG HB3 . 27579 1 186 . 1 1 17 17 ARG HG2 H 1 1.761 0.100 . 1 . . . . . 17 ARG HG2 . 27579 1 187 . 1 1 17 17 ARG HG3 H 1 1.698 0.100 . 1 . . . . . 17 ARG HG3 . 27579 1 188 . 1 1 17 17 ARG HD2 H 1 3.210 0.100 . 2 . . . . . 17 ARG HD2 . 27579 1 189 . 1 1 17 17 ARG HD3 H 1 3.213 0.100 . 2 . . . . . 17 ARG HD3 . 27579 1 190 . 1 1 17 17 ARG CA C 13 58.511 1.500 . 1 . . . . . 17 ARG CA . 27579 1 191 . 1 1 17 17 ARG CB C 13 30.185 1.500 . 1 . . . . . 17 ARG CB . 27579 1 192 . 1 1 17 17 ARG CG C 13 27.333 1.500 . 1 . . . . . 17 ARG CG . 27579 1 193 . 1 1 17 17 ARG CD C 13 43.215 1.500 . 1 . . . . . 17 ARG CD . 27579 1 194 . 1 1 18 18 SER H H 1 8.547 0.100 . 1 . . . . . 18 SER H . 27579 1 195 . 1 1 18 18 SER HA H 1 4.335 0.100 . 1 . . . . . 18 SER HA . 27579 1 196 . 1 1 18 18 SER HB2 H 1 3.878 0.100 . 1 . . . . . 18 SER QB . 27579 1 197 . 1 1 18 18 SER HB3 H 1 3.878 0.100 . 1 . . . . . 18 SER QB . 27579 1 198 . 1 1 18 18 SER CA C 13 60.157 1.500 . 1 . . . . . 18 SER CA . 27579 1 199 . 1 1 18 18 SER CB C 13 62.934 1.500 . 1 . . . . . 18 SER CB . 27579 1 200 . 1 1 18 18 SER N N 15 113.303 1.500 . 1 . . . . . 18 SER N . 27579 1 201 . 1 1 19 19 SER HA H 1 4.626 0.100 . 1 . . . . . 19 SER HA . 27579 1 202 . 1 1 19 19 SER HB2 H 1 3.958 0.100 . 2 . . . . . 19 SER HB2 . 27579 1 203 . 1 1 19 19 SER HB3 H 1 3.841 0.100 . 2 . . . . . 19 SER HB3 . 27579 1 204 . 1 1 19 19 SER CA C 13 58.450 1.500 . 1 . . . . . 19 SER CA . 27579 1 205 . 1 1 19 19 SER CB C 13 65.707 1.500 . 1 . . . . . 19 SER CB . 27579 1 206 . 1 1 20 20 GLY H H 1 8.083 0.100 . 1 . . . . . 20 GLY H . 27579 1 207 . 1 1 20 20 GLY HA2 H 1 4.089 0.100 . 2 . . . . . 20 GLY HA2 . 27579 1 208 . 1 1 20 20 GLY HA3 H 1 3.897 0.100 . 2 . . . . . 20 GLY HA3 . 27579 1 209 . 1 1 20 20 GLY CA C 13 46.499 1.500 . 1 . . . . . 20 GLY CA . 27579 1 210 . 1 1 20 20 GLY N N 15 112.173 1.500 . 1 . . . . . 20 GLY N . 27579 1 211 . 1 1 21 21 ARG H H 1 7.627 0.100 . 1 . . . . . 21 ARG H . 27579 1 212 . 1 1 21 21 ARG HA H 1 4.463 0.100 . 1 . . . . . 21 ARG HA . 27579 1 213 . 1 1 21 21 ARG HB2 H 1 1.714 0.100 . 1 . . . . . 21 ARG HB2 . 27579 1 214 . 1 1 21 21 ARG HB3 H 1 1.957 0.100 . 1 . . . . . 21 ARG HB3 . 27579 1 215 . 1 1 21 21 ARG HG2 H 1 1.696 0.100 . 2 . . . . . 21 ARG HG2 . 27579 1 216 . 1 1 21 21 ARG HG3 H 1 1.638 0.100 . 2 . . . . . 21 ARG HG3 . 27579 1 217 . 1 1 21 21 ARG HD2 H 1 2.845 0.100 . 1 . . . . . 21 ARG HD2 . 27579 1 218 . 1 1 21 21 ARG HD3 H 1 2.581 0.100 . 1 . . . . . 21 ARG HD3 . 27579 1 219 . 1 1 21 21 ARG CA C 13 56.070 1.500 . 1 . . . . . 21 ARG CA . 27579 1 220 . 1 1 21 21 ARG CB C 13 32.842 1.500 . 1 . . . . . 21 ARG CB . 27579 1 221 . 1 1 21 21 ARG CG C 13 26.903 1.500 . 1 . . . . . 21 ARG CG . 27579 1 222 . 1 1 21 21 ARG CD C 13 43.497 1.500 . 1 . . . . . 21 ARG CD . 27579 1 223 . 1 1 21 21 ARG N N 15 119.103 1.500 . 1 . . . . . 21 ARG N . 27579 1 224 . 1 1 22 22 VAL H H 1 8.479 0.100 . 1 . . . . . 22 VAL H . 27579 1 225 . 1 1 22 22 VAL HA H 1 4.686 0.100 . 1 . . . . . 22 VAL HA . 27579 1 226 . 1 1 22 22 VAL HB H 1 1.959 0.100 . 1 . . . . . 22 VAL HB . 27579 1 227 . 1 1 22 22 VAL HG11 H 1 0.776 0.100 . 1 . . . . . 22 VAL QG1 . 27579 1 228 . 1 1 22 22 VAL HG12 H 1 0.776 0.100 . 1 . . . . . 22 VAL QG1 . 27579 1 229 . 1 1 22 22 VAL HG13 H 1 0.776 0.100 . 1 . . . . . 22 VAL QG1 . 27579 1 230 . 1 1 22 22 VAL HG21 H 1 1.009 0.100 . 1 . . . . . 22 VAL QG2 . 27579 1 231 . 1 1 22 22 VAL HG22 H 1 1.009 0.100 . 1 . . . . . 22 VAL QG2 . 27579 1 232 . 1 1 22 22 VAL HG23 H 1 1.009 0.100 . 1 . . . . . 22 VAL QG2 . 27579 1 233 . 1 1 22 22 VAL CA C 13 62.135 1.500 . 1 . . . . . 22 VAL CA . 27579 1 234 . 1 1 22 22 VAL CB C 13 33.081 1.500 . 1 . . . . . 22 VAL CB . 27579 1 235 . 1 1 22 22 VAL CG1 C 13 21.633 1.500 . 1 . . . . . 22 VAL CG1 . 27579 1 236 . 1 1 22 22 VAL CG2 C 13 21.901 1.500 . 1 . . . . . 22 VAL CG2 . 27579 1 237 . 1 1 22 22 VAL N N 15 124.542 1.500 . 1 . . . . . 22 VAL N . 27579 1 238 . 1 1 23 23 TYR H H 1 8.695 0.100 . 1 . . . . . 23 TYR H . 27579 1 239 . 1 1 23 23 TYR HA H 1 4.830 0.100 . 1 . . . . . 23 TYR HA . 27579 1 240 . 1 1 23 23 TYR HB2 H 1 2.514 0.100 . 1 . . . . . 23 TYR HB2 . 27579 1 241 . 1 1 23 23 TYR HB3 H 1 2.870 0.100 . 1 . . . . . 23 TYR HB3 . 27579 1 242 . 1 1 23 23 TYR HD1 H 1 6.853 0.100 . 3 . . . . . 23 TYR HD1 . 27579 1 243 . 1 1 23 23 TYR HD2 H 1 6.853 0.100 . 3 . . . . . 23 TYR HD2 . 27579 1 244 . 1 1 23 23 TYR HE1 H 1 6.408 0.100 . 3 . . . . . 23 TYR HE1 . 27579 1 245 . 1 1 23 23 TYR HE2 H 1 6.408 0.100 . 3 . . . . . 23 TYR HE2 . 27579 1 246 . 1 1 23 23 TYR CA C 13 55.530 1.500 . 1 . . . . . 23 TYR CA . 27579 1 247 . 1 1 23 23 TYR CB C 13 39.862 1.500 . 1 . . . . . 23 TYR CB . 27579 1 248 . 1 1 23 23 TYR CD1 C 13 134.032 1.500 . 3 . . . . . 23 TYR CD1 . 27579 1 249 . 1 1 23 23 TYR CD2 C 13 134.032 1.500 . 3 . . . . . 23 TYR CD2 . 27579 1 250 . 1 1 23 23 TYR CE1 C 13 117.396 1.500 . 3 . . . . . 23 TYR CE1 . 27579 1 251 . 1 1 23 23 TYR CE2 C 13 117.396 1.500 . 3 . . . . . 23 TYR CE2 . 27579 1 252 . 1 1 23 23 TYR N N 15 121.973 1.500 . 1 . . . . . 23 TYR N . 27579 1 253 . 1 1 24 24 TYR H H 1 8.974 0.100 . 1 . . . . . 24 TYR H . 27579 1 254 . 1 1 24 24 TYR HA H 1 5.257 0.100 . 1 . . . . . 24 TYR HA . 27579 1 255 . 1 1 24 24 TYR HB2 H 1 2.643 0.100 . 1 . . . . . 24 TYR HB2 . 27579 1 256 . 1 1 24 24 TYR HB3 H 1 2.890 0.100 . 1 . . . . . 24 TYR HB3 . 27579 1 257 . 1 1 24 24 TYR HD1 H 1 6.798 0.100 . 3 . . . . . 24 TYR HD1 . 27579 1 258 . 1 1 24 24 TYR HD2 H 1 6.798 0.100 . 3 . . . . . 24 TYR HD2 . 27579 1 259 . 1 1 24 24 TYR HE1 H 1 6.729 0.100 . 3 . . . . . 24 TYR HE1 . 27579 1 260 . 1 1 24 24 TYR HE2 H 1 6.729 0.100 . 3 . . . . . 24 TYR HE2 . 27579 1 261 . 1 1 24 24 TYR CA C 13 57.272 1.500 . 1 . . . . . 24 TYR CA . 27579 1 262 . 1 1 24 24 TYR CB C 13 41.241 1.500 . 1 . . . . . 24 TYR CB . 27579 1 263 . 1 1 24 24 TYR CD1 C 13 133.802 1.500 . 3 . . . . . 24 TYR CD1 . 27579 1 264 . 1 1 24 24 TYR CD2 C 13 133.802 1.500 . 3 . . . . . 24 TYR CD2 . 27579 1 265 . 1 1 24 24 TYR CE1 C 13 117.171 1.500 . 3 . . . . . 24 TYR CE1 . 27579 1 266 . 1 1 24 24 TYR CE2 C 13 117.171 1.500 . 3 . . . . . 24 TYR CE2 . 27579 1 267 . 1 1 24 24 TYR N N 15 117.097 1.500 . 1 . . . . . 24 TYR N . 27579 1 268 . 1 1 25 25 PHE H H 1 9.370 0.100 . 1 . . . . . 25 PHE H . 27579 1 269 . 1 1 25 25 PHE HA H 1 5.608 0.100 . 1 . . . . . 25 PHE HA . 27579 1 270 . 1 1 25 25 PHE HB2 H 1 2.882 0.100 . 1 . . . . . 25 PHE HB2 . 27579 1 271 . 1 1 25 25 PHE HB3 H 1 2.551 0.100 . 1 . . . . . 25 PHE HB3 . 27579 1 272 . 1 1 25 25 PHE HD1 H 1 6.916 0.100 . 3 . . . . . 25 PHE HD1 . 27579 1 273 . 1 1 25 25 PHE HD2 H 1 6.916 0.100 . 3 . . . . . 25 PHE HD2 . 27579 1 274 . 1 1 25 25 PHE HE1 H 1 7.007 0.100 . 3 . . . . . 25 PHE HE1 . 27579 1 275 . 1 1 25 25 PHE HE2 H 1 7.007 0.100 . 3 . . . . . 25 PHE HE2 . 27579 1 276 . 1 1 25 25 PHE HZ H 1 7.337 0.100 . 1 . . . . . 25 PHE HZ . 27579 1 277 . 1 1 25 25 PHE CA C 13 55.932 1.500 . 1 . . . . . 25 PHE CA . 27579 1 278 . 1 1 25 25 PHE CB C 13 44.524 1.500 . 1 . . . . . 25 PHE CB . 27579 1 279 . 1 1 25 25 PHE CD1 C 13 131.533 1.500 . 3 . . . . . 25 PHE CD1 . 27579 1 280 . 1 1 25 25 PHE CD2 C 13 131.533 1.500 . 3 . . . . . 25 PHE CD2 . 27579 1 281 . 1 1 25 25 PHE CE1 C 13 130.898 1.500 . 3 . . . . . 25 PHE CE1 . 27579 1 282 . 1 1 25 25 PHE CE2 C 13 130.898 1.500 . 3 . . . . . 25 PHE CE2 . 27579 1 283 . 1 1 25 25 PHE CZ C 13 130.419 1.500 . 1 . . . . . 25 PHE CZ . 27579 1 284 . 1 1 25 25 PHE N N 15 124.550 1.500 . 1 . . . . . 25 PHE N . 27579 1 285 . 1 1 26 26 ASN H H 1 8.108 0.100 . 1 . . . . . 26 ASN H . 27579 1 286 . 1 1 26 26 ASN HA H 1 4.386 0.100 . 1 . . . . . 26 ASN HA . 27579 1 287 . 1 1 26 26 ASN HB2 H 1 -0.695 0.100 . 1 . . . . . 26 ASN HB2 . 27579 1 288 . 1 1 26 26 ASN HB3 H 1 1.981 0.100 . 1 . . . . . 26 ASN HB3 . 27579 1 289 . 1 1 26 26 ASN HD21 H 1 6.462 0.100 . 1 . . . . . 26 ASN HD21 . 27579 1 290 . 1 1 26 26 ASN HD22 H 1 4.058 0.100 . 1 . . . . . 26 ASN HD22 . 27579 1 291 . 1 1 26 26 ASN CA C 13 50.661 1.500 . 1 . . . . . 26 ASN CA . 27579 1 292 . 1 1 26 26 ASN CB C 13 38.336 1.500 . 1 . . . . . 26 ASN CB . 27579 1 293 . 1 1 26 26 ASN N N 15 129.025 1.500 . 1 . . . . . 26 ASN N . 27579 1 294 . 1 1 26 26 ASN ND2 N 15 109.686 1.500 . 1 . . . . . 26 ASN ND2 . 27579 1 295 . 1 1 27 27 HIS H H 1 8.090 0.100 . 1 . . . . . 27 HIS H . 27579 1 296 . 1 1 27 27 HIS HA H 1 4.168 0.100 . 1 . . . . . 27 HIS HA . 27579 1 297 . 1 1 27 27 HIS HB2 H 1 3.070 0.100 . 1 . . . . . 27 HIS HB2 . 27579 1 298 . 1 1 27 27 HIS HB3 H 1 3.366 0.100 . 1 . . . . . 27 HIS HB3 . 27579 1 299 . 1 1 27 27 HIS HD2 H 1 7.137 0.100 . 1 . . . . . 27 HIS HD2 . 27579 1 300 . 1 1 27 27 HIS CA C 13 57.348 1.500 . 1 . . . . . 27 HIS CA . 27579 1 301 . 1 1 27 27 HIS CB C 13 29.253 1.500 . 1 . . . . . 27 HIS CB . 27579 1 302 . 1 1 27 27 HIS CD2 C 13 120.664 1.500 . 1 . . . . . 27 HIS CD2 . 27579 1 303 . 1 1 27 27 HIS N N 15 120.336 1.500 . 1 . . . . . 27 HIS N . 27579 1 304 . 1 1 28 28 ILE H H 1 8.337 0.100 . 1 . . . . . 28 ILE H . 27579 1 305 . 1 1 28 28 ILE HA H 1 3.857 0.100 . 1 . . . . . 28 ILE HA . 27579 1 306 . 1 1 28 28 ILE HB H 1 1.863 0.100 . 1 . . . . . 28 ILE HB . 27579 1 307 . 1 1 28 28 ILE HG12 H 1 0.922 0.100 . 1 . . . . . 28 ILE HG12 . 27579 1 308 . 1 1 28 28 ILE HG13 H 1 1.222 0.100 . 1 . . . . . 28 ILE HG13 . 27579 1 309 . 1 1 28 28 ILE HG21 H 1 0.718 0.100 . 1 . . . . . 28 ILE QG2 . 27579 1 310 . 1 1 28 28 ILE HG22 H 1 0.718 0.100 . 1 . . . . . 28 ILE QG2 . 27579 1 311 . 1 1 28 28 ILE HG23 H 1 0.718 0.100 . 1 . . . . . 28 ILE QG2 . 27579 1 312 . 1 1 28 28 ILE HD11 H 1 0.698 0.100 . 1 . . . . . 28 ILE QD1 . 27579 1 313 . 1 1 28 28 ILE HD12 H 1 0.698 0.100 . 1 . . . . . 28 ILE QD1 . 27579 1 314 . 1 1 28 28 ILE HD13 H 1 0.698 0.100 . 1 . . . . . 28 ILE QD1 . 27579 1 315 . 1 1 28 28 ILE CA C 13 63.416 1.500 . 1 . . . . . 28 ILE CA . 27579 1 316 . 1 1 28 28 ILE CB C 13 37.448 1.500 . 1 . . . . . 28 ILE CB . 27579 1 317 . 1 1 28 28 ILE CG1 C 13 27.832 1.500 . 1 . . . . . 28 ILE CG1 . 27579 1 318 . 1 1 28 28 ILE CG2 C 13 17.202 1.500 . 1 . . . . . 28 ILE CG2 . 27579 1 319 . 1 1 28 28 ILE CD1 C 13 12.341 1.500 . 1 . . . . . 28 ILE CD1 . 27579 1 320 . 1 1 28 28 ILE N N 15 121.737 1.500 . 1 . . . . . 28 ILE N . 27579 1 321 . 1 1 29 29 THR H H 1 7.362 0.100 . 1 . . . . . 29 THR H . 27579 1 322 . 1 1 29 29 THR HA H 1 3.986 0.100 . 1 . . . . . 29 THR HA . 27579 1 323 . 1 1 29 29 THR HB H 1 4.117 0.100 . 1 . . . . . 29 THR HB . 27579 1 324 . 1 1 29 29 THR HG21 H 1 0.911 0.100 . 1 . . . . . 29 THR QG2 . 27579 1 325 . 1 1 29 29 THR HG22 H 1 0.911 0.100 . 1 . . . . . 29 THR QG2 . 27579 1 326 . 1 1 29 29 THR HG23 H 1 0.911 0.100 . 1 . . . . . 29 THR QG2 . 27579 1 327 . 1 1 29 29 THR CA C 13 61.298 1.500 . 1 . . . . . 29 THR CA . 27579 1 328 . 1 1 29 29 THR CB C 13 70.072 1.500 . 1 . . . . . 29 THR CB . 27579 1 329 . 1 1 29 29 THR CG2 C 13 21.396 1.500 . 1 . . . . . 29 THR CG2 . 27579 1 330 . 1 1 29 29 THR N N 15 107.720 1.500 . 1 . . . . . 29 THR N . 27579 1 331 . 1 1 30 30 ASN H H 1 7.934 0.100 . 1 . . . . . 30 ASN H . 27579 1 332 . 1 1 30 30 ASN HA H 1 4.167 0.100 . 1 . . . . . 30 ASN HA . 27579 1 333 . 1 1 30 30 ASN HB2 H 1 2.891 0.100 . 2 . . . . . 30 ASN HB2 . 27579 1 334 . 1 1 30 30 ASN HB3 H 1 3.108 0.100 . 2 . . . . . 30 ASN HB3 . 27579 1 335 . 1 1 30 30 ASN HD21 H 1 7.534 0.100 . 1 . . . . . 30 ASN HD21 . 27579 1 336 . 1 1 30 30 ASN HD22 H 1 6.792 0.100 . 1 . . . . . 30 ASN HD22 . 27579 1 337 . 1 1 30 30 ASN CA C 13 54.822 1.500 . 1 . . . . . 30 ASN CA . 27579 1 338 . 1 1 30 30 ASN CB C 13 37.306 1.500 . 1 . . . . . 30 ASN CB . 27579 1 339 . 1 1 30 30 ASN N N 15 117.307 1.500 . 1 . . . . . 30 ASN N . 27579 1 340 . 1 1 30 30 ASN ND2 N 15 112.340 1.500 . 1 . . . . . 30 ASN ND2 . 27579 1 341 . 1 1 31 31 ALA H H 1 7.132 0.100 . 1 . . . . . 31 ALA H . 27579 1 342 . 1 1 31 31 ALA HA H 1 4.385 0.100 . 1 . . . . . 31 ALA HA . 27579 1 343 . 1 1 31 31 ALA HB1 H 1 1.236 0.100 . 1 . . . . . 31 ALA QB . 27579 1 344 . 1 1 31 31 ALA HB2 H 1 1.236 0.100 . 1 . . . . . 31 ALA QB . 27579 1 345 . 1 1 31 31 ALA HB3 H 1 1.236 0.100 . 1 . . . . . 31 ALA QB . 27579 1 346 . 1 1 31 31 ALA CA C 13 52.177 1.500 . 1 . . . . . 31 ALA CA . 27579 1 347 . 1 1 31 31 ALA CB C 13 20.869 1.500 . 1 . . . . . 31 ALA CB . 27579 1 348 . 1 1 31 31 ALA N N 15 121.669 1.500 . 1 . . . . . 31 ALA N . 27579 1 349 . 1 1 32 32 SER H H 1 8.260 0.100 . 1 . . . . . 32 SER H . 27579 1 350 . 1 1 32 32 SER HA H 1 5.986 0.100 . 1 . . . . . 32 SER HA . 27579 1 351 . 1 1 32 32 SER HB2 H 1 3.838 0.100 . 2 . . . . . 32 SER HB2 . 27579 1 352 . 1 1 32 32 SER HB3 H 1 3.752 0.100 . 2 . . . . . 32 SER HB3 . 27579 1 353 . 1 1 32 32 SER CA C 13 56.918 1.500 . 1 . . . . . 32 SER CA . 27579 1 354 . 1 1 32 32 SER CB C 13 66.766 1.500 . 1 . . . . . 32 SER CB . 27579 1 355 . 1 1 32 32 SER N N 15 112.122 1.500 . 1 . . . . . 32 SER N . 27579 1 356 . 1 1 33 33 GLN H H 1 9.329 0.100 . 1 . . . . . 33 GLN H . 27579 1 357 . 1 1 33 33 GLN HA H 1 4.846 0.100 . 1 . . . . . 33 GLN HA . 27579 1 358 . 1 1 33 33 GLN HB2 H 1 2.509 0.100 . 1 . . . . . 33 GLN HB2 . 27579 1 359 . 1 1 33 33 GLN HB3 H 1 2.192 0.100 . 1 . . . . . 33 GLN HB3 . 27579 1 360 . 1 1 33 33 GLN HE21 H 1 6.596 0.100 . 1 . . . . . 33 GLN HE21 . 27579 1 361 . 1 1 33 33 GLN HE22 H 1 7.377 0.100 . 1 . . . . . 33 GLN HE22 . 27579 1 362 . 1 1 33 33 GLN CA C 13 54.823 1.500 . 1 . . . . . 33 GLN CA . 27579 1 363 . 1 1 33 33 GLN CB C 13 32.145 1.500 . 1 . . . . . 33 GLN CB . 27579 1 364 . 1 1 33 33 GLN CG C 13 30.151 1.500 . 1 . . . . . 33 GLN CG . 27579 1 365 . 1 1 33 33 GLN N N 15 116.760 1.500 . 1 . . . . . 33 GLN N . 27579 1 366 . 1 1 33 33 GLN NE2 N 15 112.566 1.500 . 1 . . . . . 33 GLN NE2 . 27579 1 367 . 1 1 34 34 TRP H H 1 8.404 0.100 . 1 . . . . . 34 TRP H . 27579 1 368 . 1 1 34 34 TRP HA H 1 4.956 0.100 . 1 . . . . . 34 TRP HA . 27579 1 369 . 1 1 34 34 TRP HB2 H 1 3.589 0.100 . 2 . . . . . 34 TRP HB2 . 27579 1 370 . 1 1 34 34 TRP HB3 H 1 3.173 0.100 . 2 . . . . . 34 TRP HB3 . 27579 1 371 . 1 1 34 34 TRP HD1 H 1 7.441 0.100 . 1 . . . . . 34 TRP HD1 . 27579 1 372 . 1 1 34 34 TRP HE1 H 1 10.082 0.100 . 1 . . . . . 34 TRP HE1 . 27579 1 373 . 1 1 34 34 TRP HE3 H 1 7.371 0.100 . 1 . . . . . 34 TRP HE3 . 27579 1 374 . 1 1 34 34 TRP HZ2 H 1 7.355 0.100 . 1 . . . . . 34 TRP HZ2 . 27579 1 375 . 1 1 34 34 TRP HZ3 H 1 6.933 0.100 . 1 . . . . . 34 TRP HZ3 . 27579 1 376 . 1 1 34 34 TRP HH2 H 1 7.065 0.100 . 1 . . . . . 34 TRP HH2 . 27579 1 377 . 1 1 34 34 TRP CA C 13 58.724 1.500 . 1 . . . . . 34 TRP CA . 27579 1 378 . 1 1 34 34 TRP CB C 13 30.642 1.500 . 1 . . . . . 34 TRP CB . 27579 1 379 . 1 1 34 34 TRP CD1 C 13 128.181 1.500 . 1 . . . . . 34 TRP CD1 . 27579 1 380 . 1 1 34 34 TRP CE3 C 13 120.386 1.500 . 1 . . . . . 34 TRP CE3 . 27579 1 381 . 1 1 34 34 TRP CZ2 C 13 114.555 1.500 . 1 . . . . . 34 TRP CZ2 . 27579 1 382 . 1 1 34 34 TRP CZ3 C 13 122.325 1.500 . 1 . . . . . 34 TRP CZ3 . 27579 1 383 . 1 1 34 34 TRP CH2 C 13 124.251 1.500 . 1 . . . . . 34 TRP CH2 . 27579 1 384 . 1 1 34 34 TRP N N 15 120.369 1.500 . 1 . . . . . 34 TRP N . 27579 1 385 . 1 1 34 34 TRP NE1 N 15 128.659 1.500 . 1 . . . . . 34 TRP NE1 . 27579 1 386 . 1 1 35 35 GLU H H 1 8.032 0.100 . 1 . . . . . 35 GLU H . 27579 1 387 . 1 1 35 35 GLU HA H 1 4.395 0.100 . 1 . . . . . 35 GLU HA . 27579 1 388 . 1 1 35 35 GLU HB2 H 1 1.852 0.100 . 1 . . . . . 35 GLU QB . 27579 1 389 . 1 1 35 35 GLU HB3 H 1 1.852 0.100 . 1 . . . . . 35 GLU QB . 27579 1 390 . 1 1 35 35 GLU HG2 H 1 2.290 0.100 . 2 . . . . . 35 GLU HG2 . 27579 1 391 . 1 1 35 35 GLU HG3 H 1 2.219 0.100 . 2 . . . . . 35 GLU HG3 . 27579 1 392 . 1 1 35 35 GLU CA C 13 55.731 1.500 . 1 . . . . . 35 GLU CA . 27579 1 393 . 1 1 35 35 GLU CB C 13 30.318 1.500 . 1 . . . . . 35 GLU CB . 27579 1 394 . 1 1 35 35 GLU CG C 13 36.360 1.500 . 1 . . . . . 35 GLU CG . 27579 1 395 . 1 1 35 35 GLU N N 15 117.206 1.500 . 1 . . . . . 35 GLU N . 27579 1 396 . 1 1 36 36 ARG H H 1 8.463 0.100 . 1 . . . . . 36 ARG H . 27579 1 397 . 1 1 36 36 ARG HA H 1 2.603 0.100 . 1 . . . . . 36 ARG HA . 27579 1 398 . 1 1 36 36 ARG HB2 H 1 1.359 0.100 . 2 . . . . . 36 ARG QB . 27579 1 399 . 1 1 36 36 ARG HB3 H 1 1.359 0.100 . 2 . . . . . 36 ARG QB . 27579 1 400 . 1 1 36 36 ARG HG2 H 1 1.186 0.100 . 1 . . . . . 36 ARG HG2 . 27579 1 401 . 1 1 36 36 ARG HG3 H 1 0.956 0.100 . 1 . . . . . 36 ARG HG3 . 27579 1 402 . 1 1 36 36 ARG HD2 H 1 2.989 0.100 . 1 . . . . . 36 ARG HD2 . 27579 1 403 . 1 1 36 36 ARG HD3 H 1 3.025 0.100 . 1 . . . . . 36 ARG HD3 . 27579 1 404 . 1 1 36 36 ARG CA C 13 54.159 1.500 . 1 . . . . . 36 ARG CA . 27579 1 405 . 1 1 36 36 ARG CB C 13 30.027 1.500 . 1 . . . . . 36 ARG CB . 27579 1 406 . 1 1 36 36 ARG CG C 13 26.901 1.500 . 1 . . . . . 36 ARG CG . 27579 1 407 . 1 1 36 36 ARG CD C 13 43.511 1.500 . 1 . . . . . 36 ARG CD . 27579 1 408 . 1 1 36 36 ARG N N 15 125.115 1.500 . 1 . . . . . 36 ARG N . 27579 1 409 . 1 1 37 37 PRO HA H 1 3.849 0.100 . 1 . . . . . 37 PRO HA . 27579 1 410 . 1 1 37 37 PRO HB2 H 1 0.776 0.100 . 1 . . . . . 37 PRO HB2 . 27579 1 411 . 1 1 37 37 PRO HB3 H 1 0.651 0.100 . 1 . . . . . 37 PRO HB3 . 27579 1 412 . 1 1 37 37 PRO HG2 H 1 0.544 0.100 . 1 . . . . . 37 PRO HG2 . 27579 1 413 . 1 1 37 37 PRO HG3 H 1 -0.041 0.100 . 1 . . . . . 37 PRO HG3 . 27579 1 414 . 1 1 37 37 PRO HD2 H 1 2.278 0.100 . 1 . . . . . 37 PRO HD2 . 27579 1 415 . 1 1 37 37 PRO HD3 H 1 2.438 0.100 . 1 . . . . . 37 PRO HD3 . 27579 1 416 . 1 1 37 37 PRO CA C 13 62.009 1.500 . 1 . . . . . 37 PRO CA . 27579 1 417 . 1 1 37 37 PRO CB C 13 31.212 1.500 . 1 . . . . . 37 PRO CB . 27579 1 418 . 1 1 37 37 PRO CG C 13 25.782 1.500 . 1 . . . . . 37 PRO CG . 27579 1 419 . 1 1 37 37 PRO CD C 13 50.042 1.500 . 1 . . . . . 37 PRO CD . 27579 1 420 . 1 1 38 38 SER H H 1 8.076 0.100 . 1 . . . . . 38 SER H . 27579 1 421 . 1 1 38 38 SER HA H 1 4.302 0.100 . 1 . . . . . 38 SER HA . 27579 1 422 . 1 1 38 38 SER HB2 H 1 3.767 0.100 . 1 . . . . . 38 SER HB2 . 27579 1 423 . 1 1 38 38 SER HB3 H 1 3.689 0.100 . 1 . . . . . 38 SER HB3 . 27579 1 424 . 1 1 38 38 SER CA C 13 57.592 1.500 . 1 . . . . . 38 SER CA . 27579 1 425 . 1 1 38 38 SER CB C 13 64.619 1.500 . 1 . . . . . 38 SER CB . 27579 1 426 . 1 1 38 38 SER N N 15 115.353 1.500 . 1 . . . . . 38 SER N . 27579 1 427 . 1 1 39 39 GLY H H 1 8.492 0.100 . 1 . . . . . 39 GLY H . 27579 1 428 . 1 1 39 39 GLY HA2 H 1 3.962 0.100 . 2 . . . . . 39 GLY QA . 27579 1 429 . 1 1 39 39 GLY HA3 H 1 3.962 0.100 . 2 . . . . . 39 GLY QA . 27579 1 430 . 1 1 39 39 GLY CA C 13 45.283 1.500 . 1 . . . . . 39 GLY CA . 27579 1 431 . 1 1 39 39 GLY N N 15 110.418 1.500 . 1 . . . . . 39 GLY N . 27579 1 432 . 1 1 40 40 ASN H H 1 8.410 0.100 . 1 . . . . . 40 ASN H . 27579 1 433 . 1 1 40 40 ASN HA H 1 4.768 0.100 . 1 . . . . . 40 ASN HA . 27579 1 434 . 1 1 40 40 ASN HB2 H 1 2.826 0.100 . 2 . . . . . 40 ASN HB2 . 27579 1 435 . 1 1 40 40 ASN HB3 H 1 2.741 0.100 . 2 . . . . . 40 ASN HB3 . 27579 1 436 . 1 1 40 40 ASN HD21 H 1 7.597 0.100 . 2 . . . . . 40 ASN HD21 . 27579 1 437 . 1 1 40 40 ASN HD22 H 1 6.934 0.100 . 2 . . . . . 40 ASN HD22 . 27579 1 438 . 1 1 40 40 ASN CA C 13 53.191 1.500 . 1 . . . . . 40 ASN CA . 27579 1 439 . 1 1 40 40 ASN CB C 13 39.177 1.500 . 1 . . . . . 40 ASN CB . 27579 1 440 . 1 1 40 40 ASN N N 15 118.665 1.500 . 1 . . . . . 40 ASN N . 27579 1 441 . 1 1 40 40 ASN ND2 N 15 112.981 1.500 . 1 . . . . . 40 ASN ND2 . 27579 1 442 . 1 1 41 41 SER H H 1 8.411 0.100 . 1 . . . . . 41 SER H . 27579 1 443 . 1 1 41 41 SER HA H 1 4.515 0.100 . 1 . . . . . 41 SER HA . 27579 1 444 . 1 1 41 41 SER HB2 H 1 3.918 0.100 . 2 . . . . . 41 SER QB . 27579 1 445 . 1 1 41 41 SER HB3 H 1 3.918 0.100 . 2 . . . . . 41 SER QB . 27579 1 446 . 1 1 41 41 SER CA C 13 58.569 1.500 . 1 . . . . . 41 SER CA . 27579 1 447 . 1 1 41 41 SER CB C 13 63.818 1.500 . 1 . . . . . 41 SER CB . 27579 1 448 . 1 1 41 41 SER N N 15 116.507 1.500 . 1 . . . . . 41 SER N . 27579 1 449 . 1 1 42 42 SER H H 1 8.357 0.100 . 1 . . . . . 42 SER H . 27579 1 450 . 1 1 42 42 SER HA H 1 4.463 0.100 . 1 . . . . . 42 SER HA . 27579 1 451 . 1 1 42 42 SER HB2 H 1 3.902 0.100 . 2 . . . . . 42 SER QB . 27579 1 452 . 1 1 42 42 SER HB3 H 1 3.902 0.100 . 2 . . . . . 42 SER QB . 27579 1 453 . 1 1 42 42 SER CA C 13 58.703 1.500 . 1 . . . . . 42 SER CA . 27579 1 454 . 1 1 42 42 SER CB C 13 63.866 1.500 . 1 . . . . . 42 SER CB . 27579 1 455 . 1 1 42 42 SER N N 15 117.676 1.500 . 1 . . . . . 42 SER N . 27579 1 456 . 1 1 43 43 SER H H 1 8.447 0.100 . 1 . . . . . 43 SER H . 27579 1 457 . 1 1 43 43 SER HA H 1 4.469 0.100 . 1 . . . . . 43 SER HA . 27579 1 458 . 1 1 43 43 SER HB2 H 1 3.908 0.100 . 2 . . . . . 43 SER HB2 . 27579 1 459 . 1 1 43 43 SER HB3 H 1 3.858 0.100 . 2 . . . . . 43 SER HB3 . 27579 1 460 . 1 1 43 43 SER CA C 13 58.724 1.500 . 1 . . . . . 43 SER CA . 27579 1 461 . 1 1 43 43 SER CB C 13 63.877 1.500 . 1 . . . . . 43 SER CB . 27579 1 462 . 1 1 43 43 SER N N 15 117.965 1.500 . 1 . . . . . 43 SER N . 27579 1 463 . 1 1 44 44 GLY H H 1 8.399 0.100 . 1 . . . . . 44 GLY H . 27579 1 464 . 1 1 44 44 GLY HA2 H 1 3.973 0.100 . 2 . . . . . 44 GLY QA . 27579 1 465 . 1 1 44 44 GLY HA3 H 1 3.973 0.100 . 2 . . . . . 44 GLY QA . 27579 1 466 . 1 1 44 44 GLY CA C 13 45.448 1.500 . 1 . . . . . 44 GLY CA . 27579 1 467 . 1 1 44 44 GLY N N 15 110.611 1.500 . 1 . . . . . 44 GLY N . 27579 1 468 . 1 1 45 45 GLY H H 1 8.248 0.100 . 1 . . . . . 45 GLY H . 27579 1 469 . 1 1 45 45 GLY HA2 H 1 3.951 0.100 . 2 . . . . . 45 GLY HA2 . 27579 1 470 . 1 1 45 45 GLY HA3 H 1 3.943 0.100 . 2 . . . . . 45 GLY HA3 . 27579 1 471 . 1 1 45 45 GLY CA C 13 45.195 1.500 . 1 . . . . . 45 GLY CA . 27579 1 472 . 1 1 45 45 GLY N N 15 108.614 1.500 . 1 . . . . . 45 GLY N . 27579 1 473 . 1 1 46 46 LYS H H 1 8.152 0.100 . 1 . . . . . 46 LYS H . 27579 1 474 . 1 1 46 46 LYS HA H 1 4.344 0.100 . 1 . . . . . 46 LYS HA . 27579 1 475 . 1 1 46 46 LYS HB2 H 1 1.837 0.100 . 2 . . . . . 46 LYS HB2 . 27579 1 476 . 1 1 46 46 LYS HB3 H 1 1.697 0.100 . 2 . . . . . 46 LYS HB3 . 27579 1 477 . 1 1 46 46 LYS HG2 H 1 1.418 0.100 . 2 . . . . . 46 LYS HG2 . 27579 1 478 . 1 1 46 46 LYS HG3 H 1 1.368 0.100 . 2 . . . . . 46 LYS HG3 . 27579 1 479 . 1 1 46 46 LYS HD2 H 1 1.660 0.100 . 2 . . . . . 46 LYS HD2 . 27579 1 480 . 1 1 46 46 LYS HD3 H 1 1.620 0.100 . 2 . . . . . 46 LYS HD3 . 27579 1 481 . 1 1 46 46 LYS HE2 H 1 2.967 0.100 . 2 . . . . . 46 LYS HE2 . 27579 1 482 . 1 1 46 46 LYS HE3 H 1 2.987 0.100 . 2 . . . . . 46 LYS HE3 . 27579 1 483 . 1 1 46 46 LYS CA C 13 56.017 1.500 . 1 . . . . . 46 LYS CA . 27579 1 484 . 1 1 46 46 LYS CB C 13 33.239 1.500 . 1 . . . . . 46 LYS CB . 27579 1 485 . 1 1 46 46 LYS CG C 13 24.669 1.500 . 1 . . . . . 46 LYS CG . 27579 1 486 . 1 1 46 46 LYS CD C 13 28.788 1.500 . 1 . . . . . 46 LYS CD . 27579 1 487 . 1 1 46 46 LYS CE C 13 42.315 1.500 . 1 . . . . . 46 LYS CE . 27579 1 488 . 1 1 46 46 LYS N N 15 120.768 1.500 . 1 . . . . . 46 LYS N . 27579 1 489 . 1 1 47 47 ASN H H 1 8.086 0.100 . 1 . . . . . 47 ASN H . 27579 1 490 . 1 1 47 47 ASN HA H 1 4.474 0.100 . 1 . . . . . 47 ASN HA . 27579 1 491 . 1 1 47 47 ASN HB2 H 1 2.811 0.100 . 2 . . . . . 47 ASN HB2 . 27579 1 492 . 1 1 47 47 ASN HB3 H 1 2.699 0.100 . 2 . . . . . 47 ASN HB3 . 27579 1 493 . 1 1 47 47 ASN HD21 H 1 7.593 0.100 . 2 . . . . . 47 ASN HD21 . 27579 1 494 . 1 1 47 47 ASN HD22 H 1 6.930 0.100 . 2 . . . . . 47 ASN HD22 . 27579 1 495 . 1 1 47 47 ASN CA C 13 54.817 1.500 . 1 . . . . . 47 ASN CA . 27579 1 496 . 1 1 47 47 ASN CB C 13 40.880 1.500 . 1 . . . . . 47 ASN CB . 27579 1 497 . 1 1 47 47 ASN N N 15 125.366 1.500 . 1 . . . . . 47 ASN N . 27579 1 498 . 1 1 47 47 ASN ND2 N 15 112.935 1.500 . 1 . . . . . 47 ASN ND2 . 27579 1 499 . 1 1 48 48 GLY H H 1 8.293 0.100 . 1 . . . . . 48 GLY H . 27579 1 500 . 1 1 48 48 GLY HA2 H 1 3.920 0.100 . 2 . . . . . 48 GLY QA . 27579 1 501 . 1 1 48 48 GLY HA3 H 1 3.920 0.100 . 2 . . . . . 48 GLY QA . 27579 1 502 . 1 1 48 48 GLY CA C 13 45.572 1.500 . 1 . . . . . 48 GLY CA . 27579 1 503 . 1 1 48 48 GLY N N 15 114.053 1.500 . 1 . . . . . 48 GLY N . 27579 1 504 . 1 1 49 49 GLN H H 1 8.424 0.100 . 1 . . . . . 49 GLN H . 27579 1 505 . 1 1 49 49 GLN HA H 1 4.356 0.100 . 1 . . . . . 49 GLN HA . 27579 1 506 . 1 1 49 49 GLN HB2 H 1 2.146 0.100 . 2 . . . . . 49 GLN HB2 . 27579 1 507 . 1 1 49 49 GLN HB3 H 1 1.983 0.100 . 2 . . . . . 49 GLN HB3 . 27579 1 508 . 1 1 49 49 GLN HG2 H 1 2.346 0.100 . 2 . . . . . 49 GLN QG . 27579 1 509 . 1 1 49 49 GLN HG3 H 1 2.346 0.100 . 2 . . . . . 49 GLN QG . 27579 1 510 . 1 1 49 49 GLN HE21 H 1 6.847 0.100 . 2 . . . . . 49 GLN HE21 . 27579 1 511 . 1 1 49 49 GLN HE22 H 1 7.520 0.100 . 2 . . . . . 49 GLN HE22 . 27579 1 512 . 1 1 49 49 GLN CA C 13 55.872 1.500 . 1 . . . . . 49 GLN CA . 27579 1 513 . 1 1 49 49 GLN CB C 13 29.464 1.500 . 1 . . . . . 49 GLN CB . 27579 1 514 . 1 1 49 49 GLN CG C 13 33.935 1.500 . 1 . . . . . 49 GLN CG . 27579 1 515 . 1 1 49 49 GLN N N 15 119.606 1.500 . 1 . . . . . 49 GLN N . 27579 1 516 . 1 1 49 49 GLN NE2 N 15 112.480 1.500 . 1 . . . . . 49 GLN NE2 . 27579 1 517 . 1 1 50 50 GLY H H 1 8.417 0.100 . 1 . . . . . 50 GLY H . 27579 1 518 . 1 1 50 50 GLY HA2 H 1 3.936 0.100 . 2 . . . . . 50 GLY HA2 . 27579 1 519 . 1 1 50 50 GLY HA3 H 1 3.950 0.100 . 2 . . . . . 50 GLY HA3 . 27579 1 520 . 1 1 50 50 GLY CA C 13 45.139 1.500 . 1 . . . . . 50 GLY CA . 27579 1 521 . 1 1 50 50 GLY N N 15 110.041 1.500 . 1 . . . . . 50 GLY N . 27579 1 522 . 1 1 51 51 GLU H H 1 8.247 0.100 . 1 . . . . . 51 GLU H . 27579 1 523 . 1 1 51 51 GLU HA H 1 4.659 0.100 . 1 . . . . . 51 GLU HA . 27579 1 524 . 1 1 51 51 GLU HB2 H 1 2.015 0.100 . 2 . . . . . 51 GLU QB . 27579 1 525 . 1 1 51 51 GLU HB3 H 1 2.015 0.100 . 2 . . . . . 51 GLU QB . 27579 1 526 . 1 1 51 51 GLU HG2 H 1 2.361 0.100 . 2 . . . . . 51 GLU QG . 27579 1 527 . 1 1 51 51 GLU HG3 H 1 2.361 0.100 . 2 . . . . . 51 GLU QG . 27579 1 528 . 1 1 51 51 GLU CA C 13 54.320 1.500 . 1 . . . . . 51 GLU CA . 27579 1 529 . 1 1 51 51 GLU CB C 13 30.379 1.500 . 1 . . . . . 51 GLU CB . 27579 1 530 . 1 1 51 51 GLU CG C 13 35.966 1.500 . 1 . . . . . 51 GLU CG . 27579 1 531 . 1 1 51 51 GLU N N 15 121.880 1.500 . 1 . . . . . 51 GLU N . 27579 1 532 . 1 1 52 52 PRO HA H 1 4.519 0.100 . 1 . . . . . 52 PRO HA . 27579 1 533 . 1 1 52 52 PRO HB2 H 1 2.288 0.100 . 1 . . . . . 52 PRO HB2 . 27579 1 534 . 1 1 52 52 PRO HB3 H 1 1.994 0.100 . 1 . . . . . 52 PRO HB3 . 27579 1 535 . 1 1 52 52 PRO HG2 H 1 1.926 0.100 . 2 . . . . . 52 PRO HG2 . 27579 1 536 . 1 1 52 52 PRO HG3 H 1 1.946 0.100 . 2 . . . . . 52 PRO HG3 . 27579 1 537 . 1 1 52 52 PRO HD2 H 1 3.813 0.100 . 2 . . . . . 52 PRO HD2 . 27579 1 538 . 1 1 52 52 PRO HD3 H 1 3.830 0.100 . 2 . . . . . 52 PRO HD3 . 27579 1 539 . 1 1 52 52 PRO CA C 13 62.671 1.500 . 1 . . . . . 52 PRO CA . 27579 1 540 . 1 1 52 52 PRO CB C 13 32.273 1.500 . 1 . . . . . 52 PRO CB . 27579 1 541 . 1 1 52 52 PRO CG C 13 27.594 1.500 . 1 . . . . . 52 PRO CG . 27579 1 542 . 1 1 52 52 PRO CD C 13 50.153 1.500 . 1 . . . . . 52 PRO CD . 27579 1 543 . 1 1 53 53 ALA H H 1 8.590 0.100 . 1 . . . . . 53 ALA H . 27579 1 544 . 1 1 53 53 ALA HA H 1 4.223 0.100 . 1 . . . . . 53 ALA HA . 27579 1 545 . 1 1 53 53 ALA HB1 H 1 1.450 0.100 . 1 . . . . . 53 ALA QB . 27579 1 546 . 1 1 53 53 ALA HB2 H 1 1.450 0.100 . 1 . . . . . 53 ALA QB . 27579 1 547 . 1 1 53 53 ALA HB3 H 1 1.450 0.100 . 1 . . . . . 53 ALA QB . 27579 1 548 . 1 1 53 53 ALA CA C 13 53.722 1.500 . 1 . . . . . 53 ALA CA . 27579 1 549 . 1 1 53 53 ALA CB C 13 19.200 1.500 . 1 . . . . . 53 ALA CB . 27579 1 550 . 1 1 53 53 ALA N N 15 122.594 1.500 . 1 . . . . . 53 ALA N . 27579 1 551 . 1 1 54 54 ARG H H 1 7.701 0.100 . 1 . . . . . 54 ARG H . 27579 1 552 . 1 1 54 54 ARG HA H 1 4.985 0.100 . 1 . . . . . 54 ARG HA . 27579 1 553 . 1 1 54 54 ARG HB2 H 1 1.485 0.100 . 2 . . . . . 54 ARG QB . 27579 1 554 . 1 1 54 54 ARG HB3 H 1 1.485 0.100 . 2 . . . . . 54 ARG QB . 27579 1 555 . 1 1 54 54 ARG HG2 H 1 1.393 0.100 . 2 . . . . . 54 ARG QG . 27579 1 556 . 1 1 54 54 ARG HG3 H 1 1.393 0.100 . 2 . . . . . 54 ARG QG . 27579 1 557 . 1 1 54 54 ARG HD2 H 1 2.963 0.100 . 2 . . . . . 54 ARG QD . 27579 1 558 . 1 1 54 54 ARG HD3 H 1 2.963 0.100 . 2 . . . . . 54 ARG QD . 27579 1 559 . 1 1 54 54 ARG CA C 13 54.559 1.500 . 1 . . . . . 54 ARG CA . 27579 1 560 . 1 1 54 54 ARG CB C 13 34.239 1.500 . 1 . . . . . 54 ARG CB . 27579 1 561 . 1 1 54 54 ARG CG C 13 26.578 1.500 . 1 . . . . . 54 ARG CG . 27579 1 562 . 1 1 54 54 ARG CD C 13 43.790 1.500 . 1 . . . . . 54 ARG CD . 27579 1 563 . 1 1 54 54 ARG N N 15 115.359 1.500 . 1 . . . . . 54 ARG N . 27579 1 564 . 1 1 55 55 VAL H H 1 7.836 0.100 . 1 . . . . . 55 VAL H . 27579 1 565 . 1 1 55 55 VAL HA H 1 4.278 0.100 . 1 . . . . . 55 VAL HA . 27579 1 566 . 1 1 55 55 VAL HB H 1 1.365 0.100 . 1 . . . . . 55 VAL HB . 27579 1 567 . 1 1 55 55 VAL HG11 H 1 0.065 0.100 . 1 . . . . . 55 VAL QG1 . 27579 1 568 . 1 1 55 55 VAL HG12 H 1 0.065 0.100 . 1 . . . . . 55 VAL QG1 . 27579 1 569 . 1 1 55 55 VAL HG13 H 1 0.065 0.100 . 1 . . . . . 55 VAL QG1 . 27579 1 570 . 1 1 55 55 VAL HG21 H 1 -0.626 0.100 . 1 . . . . . 55 VAL QG2 . 27579 1 571 . 1 1 55 55 VAL HG22 H 1 -0.626 0.100 . 1 . . . . . 55 VAL QG2 . 27579 1 572 . 1 1 55 55 VAL HG23 H 1 -0.626 0.100 . 1 . . . . . 55 VAL QG2 . 27579 1 573 . 1 1 55 55 VAL CA C 13 58.867 1.500 . 1 . . . . . 55 VAL CA . 27579 1 574 . 1 1 55 55 VAL CB C 13 35.132 1.500 . 1 . . . . . 55 VAL CB . 27579 1 575 . 1 1 55 55 VAL CG1 C 13 21.065 1.500 . 1 . . . . . 55 VAL CG1 . 27579 1 576 . 1 1 55 55 VAL CG2 C 13 17.927 1.500 . 1 . . . . . 55 VAL CG2 . 27579 1 577 . 1 1 55 55 VAL N N 15 113.724 1.500 . 1 . . . . . 55 VAL N . 27579 1 578 . 1 1 56 56 ARG H H 1 8.186 0.100 . 1 . . . . . 56 ARG H . 27579 1 579 . 1 1 56 56 ARG HA H 1 4.821 0.100 . 1 . . . . . 56 ARG HA . 27579 1 580 . 1 1 56 56 ARG HB2 H 1 1.251 0.100 . 1 . . . . . 56 ARG HB2 . 27579 1 581 . 1 1 56 56 ARG HB3 H 1 1.702 0.100 . 1 . . . . . 56 ARG HB3 . 27579 1 582 . 1 1 56 56 ARG HG2 H 1 1.150 0.100 . 2 . . . . . 56 ARG HG2 . 27579 1 583 . 1 1 56 56 ARG HG3 H 1 1.407 0.100 . 2 . . . . . 56 ARG HG3 . 27579 1 584 . 1 1 56 56 ARG HD2 H 1 2.912 0.100 . 2 . . . . . 56 ARG HD2 . 27579 1 585 . 1 1 56 56 ARG HD3 H 1 2.871 0.100 . 2 . . . . . 56 ARG HD3 . 27579 1 586 . 1 1 56 56 ARG CA C 13 55.098 1.500 . 1 . . . . . 56 ARG CA . 27579 1 587 . 1 1 56 56 ARG CB C 13 34.501 1.500 . 1 . . . . . 56 ARG CB . 27579 1 588 . 1 1 56 56 ARG CG C 13 27.032 1.500 . 1 . . . . . 56 ARG CG . 27579 1 589 . 1 1 56 56 ARG CD C 13 44.156 1.500 . 1 . . . . . 56 ARG CD . 27579 1 590 . 1 1 56 56 ARG N N 15 120.680 1.500 . 1 . . . . . 56 ARG N . 27579 1 591 . 1 1 57 57 CYS H H 1 7.221 0.100 . 1 . . . . . 57 CYS H . 27579 1 592 . 1 1 57 57 CYS HA H 1 5.717 0.100 . 1 . . . . . 57 CYS HA . 27579 1 593 . 1 1 57 57 CYS HB2 H 1 3.132 0.100 . 1 . . . . . 57 CYS HB2 . 27579 1 594 . 1 1 57 57 CYS HB3 H 1 2.856 0.100 . 1 . . . . . 57 CYS HB3 . 27579 1 595 . 1 1 57 57 CYS CA C 13 55.907 1.500 . 1 . . . . . 57 CYS CA . 27579 1 596 . 1 1 57 57 CYS CB C 13 33.656 1.500 . 1 . . . . . 57 CYS CB . 27579 1 597 . 1 1 57 57 CYS N N 15 117.580 1.500 . 1 . . . . . 57 CYS N . 27579 1 598 . 1 1 58 58 SER H H 1 9.360 0.100 . 1 . . . . . 58 SER H . 27579 1 599 . 1 1 58 58 SER HA H 1 5.875 0.100 . 1 . . . . . 58 SER HA . 27579 1 600 . 1 1 58 58 SER HB2 H 1 3.962 0.100 . 2 . . . . . 58 SER HB2 . 27579 1 601 . 1 1 58 58 SER HB3 H 1 3.462 0.100 . 2 . . . . . 58 SER HB3 . 27579 1 602 . 1 1 58 58 SER CA C 13 56.284 1.500 . 1 . . . . . 58 SER CA . 27579 1 603 . 1 1 58 58 SER CB C 13 66.238 1.500 . 1 . . . . . 58 SER CB . 27579 1 604 . 1 1 58 58 SER N N 15 116.551 1.500 . 1 . . . . . 58 SER N . 27579 1 605 . 1 1 59 59 HIS H H 1 9.797 0.100 . 1 . . . . . 59 HIS H . 27579 1 606 . 1 1 59 59 HIS HA H 1 6.284 0.100 . 1 . . . . . 59 HIS HA . 27579 1 607 . 1 1 59 59 HIS HB2 H 1 3.630 0.100 . 2 . . . . . 59 HIS HB2 . 27579 1 608 . 1 1 59 59 HIS HB3 H 1 3.319 0.100 . 2 . . . . . 59 HIS HB3 . 27579 1 609 . 1 1 59 59 HIS HD2 H 1 7.147 0.100 . 1 . . . . . 59 HIS HD2 . 27579 1 610 . 1 1 59 59 HIS HE1 H 1 7.729 0.100 . 1 . . . . . 59 HIS HE1 . 27579 1 611 . 1 1 59 59 HIS CA C 13 54.306 1.500 . 1 . . . . . 59 HIS CA . 27579 1 612 . 1 1 59 59 HIS CB C 13 37.313 1.500 . 1 . . . . . 59 HIS CB . 27579 1 613 . 1 1 59 59 HIS CD2 C 13 116.446 1.500 . 1 . . . . . 59 HIS CD2 . 27579 1 614 . 1 1 59 59 HIS CE1 C 13 136.650 1.500 . 1 . . . . . 59 HIS CE1 . 27579 1 615 . 1 1 59 59 HIS N N 15 119.977 1.500 . 1 . . . . . 59 HIS N . 27579 1 616 . 1 1 60 60 LEU H H 1 8.936 0.100 . 1 . . . . . 60 LEU H . 27579 1 617 . 1 1 60 60 LEU HA H 1 3.934 0.100 . 1 . . . . . 60 LEU HA . 27579 1 618 . 1 1 60 60 LEU HB2 H 1 1.512 0.100 . 2 . . . . . 60 LEU HB2 . 27579 1 619 . 1 1 60 60 LEU HB3 H 1 1.038 0.100 . 2 . . . . . 60 LEU HB3 . 27579 1 620 . 1 1 60 60 LEU HG H 1 1.203 0.100 . 1 . . . . . 60 LEU HG . 27579 1 621 . 1 1 60 60 LEU HD11 H 1 0.145 0.100 . 1 . . . . . 60 LEU QD1 . 27579 1 622 . 1 1 60 60 LEU HD12 H 1 0.145 0.100 . 1 . . . . . 60 LEU QD1 . 27579 1 623 . 1 1 60 60 LEU HD13 H 1 0.145 0.100 . 1 . . . . . 60 LEU QD1 . 27579 1 624 . 1 1 60 60 LEU HD21 H 1 0.574 0.100 . 1 . . . . . 60 LEU QD2 . 27579 1 625 . 1 1 60 60 LEU HD22 H 1 0.574 0.100 . 1 . . . . . 60 LEU QD2 . 27579 1 626 . 1 1 60 60 LEU HD23 H 1 0.574 0.100 . 1 . . . . . 60 LEU QD2 . 27579 1 627 . 1 1 60 60 LEU CA C 13 55.874 1.500 . 1 . . . . . 60 LEU CA . 27579 1 628 . 1 1 60 60 LEU CB C 13 45.374 1.500 . 1 . . . . . 60 LEU CB . 27579 1 629 . 1 1 60 60 LEU CG C 13 30.700 1.500 . 1 . . . . . 60 LEU CG . 27579 1 630 . 1 1 60 60 LEU CD1 C 13 26.527 1.500 . 1 . . . . . 60 LEU CD1 . 27579 1 631 . 1 1 60 60 LEU CD2 C 13 24.167 1.500 . 1 . . . . . 60 LEU CD2 . 27579 1 632 . 1 1 60 60 LEU N N 15 125.383 1.500 . 1 . . . . . 60 LEU N . 27579 1 633 . 1 1 61 61 LEU H H 1 8.109 0.100 . 1 . . . . . 61 LEU H . 27579 1 634 . 1 1 61 61 LEU HA H 1 4.668 0.100 . 1 . . . . . 61 LEU HA . 27579 1 635 . 1 1 61 61 LEU HB2 H 1 0.741 0.100 . 2 . . . . . 61 LEU HB2 . 27579 1 636 . 1 1 61 61 LEU HB3 H 1 1.419 0.100 . 2 . . . . . 61 LEU HB3 . 27579 1 637 . 1 1 61 61 LEU HG H 1 0.957 0.100 . 1 . . . . . 61 LEU HG . 27579 1 638 . 1 1 61 61 LEU HD11 H 1 -0.293 0.100 . 1 . . . . . 61 LEU QD1 . 27579 1 639 . 1 1 61 61 LEU HD12 H 1 -0.293 0.100 . 1 . . . . . 61 LEU QD1 . 27579 1 640 . 1 1 61 61 LEU HD13 H 1 -0.293 0.100 . 1 . . . . . 61 LEU QD1 . 27579 1 641 . 1 1 61 61 LEU HD21 H 1 0.678 0.100 . 1 . . . . . 61 LEU QD2 . 27579 1 642 . 1 1 61 61 LEU HD22 H 1 0.678 0.100 . 1 . . . . . 61 LEU QD2 . 27579 1 643 . 1 1 61 61 LEU HD23 H 1 0.678 0.100 . 1 . . . . . 61 LEU QD2 . 27579 1 644 . 1 1 61 61 LEU CA C 13 52.611 1.500 . 1 . . . . . 61 LEU CA . 27579 1 645 . 1 1 61 61 LEU CB C 13 45.218 1.500 . 1 . . . . . 61 LEU CB . 27579 1 646 . 1 1 61 61 LEU CG C 13 27.082 1.500 . 1 . . . . . 61 LEU CG . 27579 1 647 . 1 1 61 61 LEU CD1 C 13 19.973 1.500 . 1 . . . . . 61 LEU CD1 . 27579 1 648 . 1 1 61 61 LEU CD2 C 13 26.899 1.500 . 1 . . . . . 61 LEU CD2 . 27579 1 649 . 1 1 61 61 LEU N N 15 127.216 1.500 . 1 . . . . . 61 LEU N . 27579 1 650 . 1 1 62 62 VAL H H 1 9.510 0.100 . 1 . . . . . 62 VAL H . 27579 1 651 . 1 1 62 62 VAL HA H 1 4.636 0.100 . 1 . . . . . 62 VAL HA . 27579 1 652 . 1 1 62 62 VAL HB H 1 1.810 0.100 . 1 . . . . . 62 VAL HB . 27579 1 653 . 1 1 62 62 VAL HG11 H 1 1.165 0.100 . 1 . . . . . 62 VAL QG1 . 27579 1 654 . 1 1 62 62 VAL HG12 H 1 1.165 0.100 . 1 . . . . . 62 VAL QG1 . 27579 1 655 . 1 1 62 62 VAL HG13 H 1 1.165 0.100 . 1 . . . . . 62 VAL QG1 . 27579 1 656 . 1 1 62 62 VAL HG21 H 1 0.948 0.100 . 1 . . . . . 62 VAL QG2 . 27579 1 657 . 1 1 62 62 VAL HG22 H 1 0.948 0.100 . 1 . . . . . 62 VAL QG2 . 27579 1 658 . 1 1 62 62 VAL HG23 H 1 0.948 0.100 . 1 . . . . . 62 VAL QG2 . 27579 1 659 . 1 1 62 62 VAL CA C 13 61.869 1.500 . 1 . . . . . 62 VAL CA . 27579 1 660 . 1 1 62 62 VAL CB C 13 33.154 1.500 . 1 . . . . . 62 VAL CB . 27579 1 661 . 1 1 62 62 VAL CG1 C 13 22.460 1.500 . 1 . . . . . 62 VAL CG1 . 27579 1 662 . 1 1 62 62 VAL CG2 C 13 21.645 1.500 . 1 . . . . . 62 VAL CG2 . 27579 1 663 . 1 1 62 62 VAL N N 15 128.214 1.500 . 1 . . . . . 62 VAL N . 27579 1 664 . 1 1 63 63 LYS H H 1 9.122 0.100 . 1 . . . . . 63 LYS H . 27579 1 665 . 1 1 63 63 LYS HA H 1 4.126 0.100 . 1 . . . . . 63 LYS HA . 27579 1 666 . 1 1 63 63 LYS HB2 H 1 1.633 0.100 . 2 . . . . . 63 LYS HB2 . 27579 1 667 . 1 1 63 63 LYS HB3 H 1 1.640 0.100 . 2 . . . . . 63 LYS HB3 . 27579 1 668 . 1 1 63 63 LYS HG2 H 1 1.290 0.100 . 2 . . . . . 63 LYS QG . 27579 1 669 . 1 1 63 63 LYS HG3 H 1 1.290 0.100 . 2 . . . . . 63 LYS QG . 27579 1 670 . 1 1 63 63 LYS HD2 H 1 1.486 0.100 . 2 . . . . . 63 LYS HD2 . 27579 1 671 . 1 1 63 63 LYS HD3 H 1 1.918 0.100 . 2 . . . . . 63 LYS HD3 . 27579 1 672 . 1 1 63 63 LYS HE2 H 1 3.106 0.100 . 2 . . . . . 63 LYS HE2 . 27579 1 673 . 1 1 63 63 LYS HE3 H 1 2.985 0.100 . 2 . . . . . 63 LYS HE3 . 27579 1 674 . 1 1 63 63 LYS CA C 13 56.756 1.500 . 1 . . . . . 63 LYS CA . 27579 1 675 . 1 1 63 63 LYS CB C 13 36.457 1.500 . 1 . . . . . 63 LYS CB . 27579 1 676 . 1 1 63 63 LYS CG C 13 26.896 1.500 . 1 . . . . . 63 LYS CG . 27579 1 677 . 1 1 63 63 LYS CD C 13 31.808 1.500 . 1 . . . . . 63 LYS CD . 27579 1 678 . 1 1 63 63 LYS CE C 13 42.853 1.500 . 1 . . . . . 63 LYS CE . 27579 1 679 . 1 1 63 63 LYS N N 15 125.482 1.500 . 1 . . . . . 63 LYS N . 27579 1 680 . 1 1 64 64 HIS H H 1 8.356 0.100 . 1 . . . . . 64 HIS H . 27579 1 681 . 1 1 64 64 HIS HA H 1 4.661 0.100 . 1 . . . . . 64 HIS HA . 27579 1 682 . 1 1 64 64 HIS HB2 H 1 3.130 0.100 . 2 . . . . . 64 HIS HB2 . 27579 1 683 . 1 1 64 64 HIS HB3 H 1 2.698 0.100 . 2 . . . . . 64 HIS HB3 . 27579 1 684 . 1 1 64 64 HIS HD2 H 1 6.493 0.100 . 1 . . . . . 64 HIS HD2 . 27579 1 685 . 1 1 64 64 HIS HE1 H 1 7.532 0.100 . 1 . . . . . 64 HIS HE1 . 27579 1 686 . 1 1 64 64 HIS CA C 13 54.800 1.500 . 1 . . . . . 64 HIS CA . 27579 1 687 . 1 1 64 64 HIS CB C 13 33.663 1.500 . 1 . . . . . 64 HIS CB . 27579 1 688 . 1 1 64 64 HIS CD2 C 13 116.155 1.500 . 1 . . . . . 64 HIS CD2 . 27579 1 689 . 1 1 64 64 HIS CE1 C 13 139.866 1.500 . 1 . . . . . 64 HIS CE1 . 27579 1 690 . 1 1 64 64 HIS N N 15 114.102 1.500 . 1 . . . . . 64 HIS N . 27579 1 691 . 1 1 65 65 SER H H 1 9.489 0.100 . 1 . . . . . 65 SER H . 27579 1 692 . 1 1 65 65 SER HA H 1 4.088 0.100 . 1 . . . . . 65 SER HA . 27579 1 693 . 1 1 65 65 SER HB2 H 1 3.674 0.100 . 2 . . . . . 65 SER HB2 . 27579 1 694 . 1 1 65 65 SER HB3 H 1 4.120 0.100 . 2 . . . . . 65 SER HB3 . 27579 1 695 . 1 1 65 65 SER CA C 13 61.082 1.500 . 1 . . . . . 65 SER CA . 27579 1 696 . 1 1 65 65 SER CB C 13 63.277 1.500 . 1 . . . . . 65 SER CB . 27579 1 697 . 1 1 65 65 SER N N 15 113.737 1.500 . 1 . . . . . 65 SER N . 27579 1 698 . 1 1 66 66 GLN H H 1 9.177 0.100 . 1 . . . . . 66 GLN H . 27579 1 699 . 1 1 66 66 GLN HA H 1 4.671 0.100 . 1 . . . . . 66 GLN HA . 27579 1 700 . 1 1 66 66 GLN HB2 H 1 2.623 0.100 . 2 . . . . . 66 GLN HB2 . 27579 1 701 . 1 1 66 66 GLN HB3 H 1 2.058 0.100 . 2 . . . . . 66 GLN HB3 . 27579 1 702 . 1 1 66 66 GLN HG2 H 1 2.446 0.100 . 2 . . . . . 66 GLN QG . 27579 1 703 . 1 1 66 66 GLN HG3 H 1 2.446 0.100 . 2 . . . . . 66 GLN QG . 27579 1 704 . 1 1 66 66 GLN HE21 H 1 7.617 0.100 . 2 . . . . . 66 GLN HE21 . 27579 1 705 . 1 1 66 66 GLN HE22 H 1 6.914 0.100 . 2 . . . . . 66 GLN HE22 . 27579 1 706 . 1 1 66 66 GLN CA C 13 55.230 1.500 . 1 . . . . . 66 GLN CA . 27579 1 707 . 1 1 66 66 GLN CB C 13 29.365 1.500 . 1 . . . . . 66 GLN CB . 27579 1 708 . 1 1 66 66 GLN CG C 13 35.109 1.500 . 1 . . . . . 66 GLN CG . 27579 1 709 . 1 1 66 66 GLN N N 15 120.470 1.500 . 1 . . . . . 66 GLN N . 27579 1 710 . 1 1 66 66 GLN NE2 N 15 112.475 1.500 . 1 . . . . . 66 GLN NE2 . 27579 1 711 . 1 1 67 67 SER H H 1 7.846 0.100 . 1 . . . . . 67 SER H . 27579 1 712 . 1 1 67 67 SER HA H 1 3.802 0.100 . 1 . . . . . 67 SER HA . 27579 1 713 . 1 1 67 67 SER HB2 H 1 3.552 0.100 . 2 . . . . . 67 SER HB2 . 27579 1 714 . 1 1 67 67 SER HB3 H 1 3.587 0.100 . 2 . . . . . 67 SER HB3 . 27579 1 715 . 1 1 67 67 SER CA C 13 61.769 1.500 . 1 . . . . . 67 SER CA . 27579 1 716 . 1 1 67 67 SER CB C 13 63.867 1.500 . 1 . . . . . 67 SER CB . 27579 1 717 . 1 1 67 67 SER N N 15 121.335 1.500 . 1 . . . . . 67 SER N . 27579 1 718 . 1 1 68 68 ARG H H 1 8.320 0.100 . 1 . . . . . 68 ARG H . 27579 1 719 . 1 1 68 68 ARG HA H 1 4.114 0.100 . 1 . . . . . 68 ARG HA . 27579 1 720 . 1 1 68 68 ARG HB2 H 1 1.775 0.100 . 2 . . . . . 68 ARG HB2 . 27579 1 721 . 1 1 68 68 ARG HB3 H 1 1.924 0.100 . 2 . . . . . 68 ARG HB3 . 27579 1 722 . 1 1 68 68 ARG HG2 H 1 1.577 0.100 . 1 . . . . . 68 ARG HG2 . 27579 1 723 . 1 1 68 68 ARG HG3 H 1 1.772 0.100 . 1 . . . . . 68 ARG HG3 . 27579 1 724 . 1 1 68 68 ARG HD2 H 1 3.139 0.100 . 1 . . . . . 68 ARG HD2 . 27579 1 725 . 1 1 68 68 ARG HD3 H 1 3.023 0.100 . 1 . . . . . 68 ARG HD3 . 27579 1 726 . 1 1 68 68 ARG CA C 13 58.960 1.500 . 1 . . . . . 68 ARG CA . 27579 1 727 . 1 1 68 68 ARG CB C 13 29.294 1.500 . 1 . . . . . 68 ARG CB . 27579 1 728 . 1 1 68 68 ARG CG C 13 26.355 1.500 . 1 . . . . . 68 ARG CG . 27579 1 729 . 1 1 68 68 ARG CD C 13 43.716 1.500 . 1 . . . . . 68 ARG CD . 27579 1 730 . 1 1 68 68 ARG N N 15 121.695 1.500 . 1 . . . . . 68 ARG N . 27579 1 731 . 1 1 69 69 ARG H H 1 8.374 0.100 . 1 . . . . . 69 ARG H . 27579 1 732 . 1 1 69 69 ARG HA H 1 4.772 0.100 . 1 . . . . . 69 ARG HA . 27579 1 733 . 1 1 69 69 ARG HB2 H 1 1.724 0.100 . 2 . . . . . 69 ARG HB2 . 27579 1 734 . 1 1 69 69 ARG HB3 H 1 1.925 0.100 . 2 . . . . . 69 ARG HB3 . 27579 1 735 . 1 1 69 69 ARG HG2 H 1 1.507 0.100 . 2 . . . . . 69 ARG QG . 27579 1 736 . 1 1 69 69 ARG HG3 H 1 1.507 0.100 . 2 . . . . . 69 ARG QG . 27579 1 737 . 1 1 69 69 ARG HD2 H 1 3.212 0.100 . 2 . . . . . 69 ARG QD . 27579 1 738 . 1 1 69 69 ARG HD3 H 1 3.212 0.100 . 2 . . . . . 69 ARG QD . 27579 1 739 . 1 1 69 69 ARG CA C 13 53.303 1.500 . 1 . . . . . 69 ARG CA . 27579 1 740 . 1 1 69 69 ARG CB C 13 32.078 1.500 . 1 . . . . . 69 ARG CB . 27579 1 741 . 1 1 69 69 ARG CG C 13 27.710 1.500 . 1 . . . . . 69 ARG CG . 27579 1 742 . 1 1 69 69 ARG CD C 13 43.435 1.500 . 1 . . . . . 69 ARG CD . 27579 1 743 . 1 1 69 69 ARG N N 15 119.051 1.500 . 1 . . . . . 69 ARG N . 27579 1 744 . 1 1 70 70 PRO HA H 1 4.410 0.100 . 1 . . . . . 70 PRO HA . 27579 1 745 . 1 1 70 70 PRO HB2 H 1 2.571 0.100 . 1 . . . . . 70 PRO HB2 . 27579 1 746 . 1 1 70 70 PRO HB3 H 1 1.850 0.100 . 1 . . . . . 70 PRO HB3 . 27579 1 747 . 1 1 70 70 PRO HG2 H 1 1.994 0.100 . 2 . . . . . 70 PRO HG2 . 27579 1 748 . 1 1 70 70 PRO HG3 H 1 2.106 0.100 . 2 . . . . . 70 PRO HG3 . 27579 1 749 . 1 1 70 70 PRO HD2 H 1 3.471 0.100 . 2 . . . . . 70 PRO HD2 . 27579 1 750 . 1 1 70 70 PRO HD3 H 1 3.654 0.100 . 2 . . . . . 70 PRO HD3 . 27579 1 751 . 1 1 70 70 PRO CA C 13 62.688 1.500 . 1 . . . . . 70 PRO CA . 27579 1 752 . 1 1 70 70 PRO CB C 13 27.374 1.500 . 1 . . . . . 70 PRO CB . 27579 1 753 . 1 1 70 70 PRO CG C 13 27.132 1.500 . 1 . . . . . 70 PRO CG . 27579 1 754 . 1 1 70 70 PRO CD C 13 50.187 1.500 . 1 . . . . . 70 PRO CD . 27579 1 755 . 1 1 71 71 SER H H 1 9.156 0.100 . 1 . . . . . 71 SER H . 27579 1 756 . 1 1 71 71 SER HA H 1 4.397 0.100 . 1 . . . . . 71 SER HA . 27579 1 757 . 1 1 71 71 SER HB2 H 1 3.732 0.100 . 2 . . . . . 71 SER HB2 . 27579 1 758 . 1 1 71 71 SER HB3 H 1 3.511 0.100 . 2 . . . . . 71 SER HB3 . 27579 1 759 . 1 1 71 71 SER CA C 13 58.449 1.500 . 1 . . . . . 71 SER CA . 27579 1 760 . 1 1 71 71 SER CB C 13 65.748 1.500 . 1 . . . . . 71 SER CB . 27579 1 761 . 1 1 71 71 SER N N 15 121.300 1.500 . 1 . . . . . 71 SER N . 27579 1 762 . 1 1 72 72 SER H H 1 8.952 0.100 . 1 . . . . . 72 SER H . 27579 1 763 . 1 1 72 72 SER HA H 1 5.026 0.100 . 1 . . . . . 72 SER HA . 27579 1 764 . 1 1 72 72 SER HB2 H 1 3.806 0.100 . 2 . . . . . 72 SER HB2 . 27579 1 765 . 1 1 72 72 SER HB3 H 1 4.400 0.100 . 2 . . . . . 72 SER HB3 . 27579 1 766 . 1 1 72 72 SER CA C 13 56.950 1.500 . 1 . . . . . 72 SER CA . 27579 1 767 . 1 1 72 72 SER CB C 13 69.335 1.500 . 1 . . . . . 72 SER CB . 27579 1 768 . 1 1 72 72 SER N N 15 118.947 1.500 . 1 . . . . . 72 SER N . 27579 1 769 . 1 1 73 73 TRP H H 1 8.569 0.100 . 1 . . . . . 73 TRP H . 27579 1 770 . 1 1 73 73 TRP HA H 1 4.351 0.100 . 1 . . . . . 73 TRP HA . 27579 1 771 . 1 1 73 73 TRP HB2 H 1 3.557 0.100 . 2 . . . . . 73 TRP HB2 . 27579 1 772 . 1 1 73 73 TRP HB3 H 1 3.152 0.100 . 2 . . . . . 73 TRP HB3 . 27579 1 773 . 1 1 73 73 TRP HD1 H 1 7.308 0.100 . 1 . . . . . 73 TRP HD1 . 27579 1 774 . 1 1 73 73 TRP HE1 H 1 9.998 0.100 . 1 . . . . . 73 TRP HE1 . 27579 1 775 . 1 1 73 73 TRP HE3 H 1 7.395 0.100 . 1 . . . . . 73 TRP HE3 . 27579 1 776 . 1 1 73 73 TRP HZ2 H 1 7.264 0.100 . 1 . . . . . 73 TRP HZ2 . 27579 1 777 . 1 1 73 73 TRP HZ3 H 1 7.070 0.100 . 1 . . . . . 73 TRP HZ3 . 27579 1 778 . 1 1 73 73 TRP HH2 H 1 7.151 0.100 . 1 . . . . . 73 TRP HH2 . 27579 1 779 . 1 1 73 73 TRP CA C 13 58.171 1.500 . 1 . . . . . 73 TRP CA . 27579 1 780 . 1 1 73 73 TRP CB C 13 27.086 1.500 . 1 . . . . . 73 TRP CB . 27579 1 781 . 1 1 73 73 TRP CD1 C 13 126.001 1.500 . 1 . . . . . 73 TRP CD1 . 27579 1 782 . 1 1 73 73 TRP CE3 C 13 120.495 1.500 . 1 . . . . . 73 TRP CE3 . 27579 1 783 . 1 1 73 73 TRP CZ2 C 13 115.815 1.500 . 1 . . . . . 73 TRP CZ2 . 27579 1 784 . 1 1 73 73 TRP CZ3 C 13 121.964 1.500 . 1 . . . . . 73 TRP CZ3 . 27579 1 785 . 1 1 73 73 TRP CH2 C 13 124.992 1.500 . 1 . . . . . 73 TRP CH2 . 27579 1 786 . 1 1 73 73 TRP N N 15 118.808 1.500 . 1 . . . . . 73 TRP N . 27579 1 787 . 1 1 73 73 TRP NE1 N 15 132.761 1.500 . 1 . . . . . 73 TRP NE1 . 27579 1 788 . 1 1 74 74 ARG H H 1 7.033 0.100 . 1 . . . . . 74 ARG H . 27579 1 789 . 1 1 74 74 ARG HA H 1 3.514 0.100 . 1 . . . . . 74 ARG HA . 27579 1 790 . 1 1 74 74 ARG HB2 H 1 0.671 0.100 . 2 . . . . . 74 ARG HB2 . 27579 1 791 . 1 1 74 74 ARG HB3 H 1 0.949 0.100 . 2 . . . . . 74 ARG HB3 . 27579 1 792 . 1 1 74 74 ARG HG2 H 1 -0.024 0.100 . 2 . . . . . 74 ARG HG2 . 27579 1 793 . 1 1 74 74 ARG HG3 H 1 -0.643 0.100 . 2 . . . . . 74 ARG HG3 . 27579 1 794 . 1 1 74 74 ARG HD2 H 1 2.414 0.100 . 2 . . . . . 74 ARG HD2 . 27579 1 795 . 1 1 74 74 ARG HD3 H 1 2.623 0.100 . 2 . . . . . 74 ARG HD3 . 27579 1 796 . 1 1 74 74 ARG CA C 13 57.014 1.500 . 1 . . . . . 74 ARG CA . 27579 1 797 . 1 1 74 74 ARG CB C 13 30.278 1.500 . 1 . . . . . 74 ARG CB . 27579 1 798 . 1 1 74 74 ARG CG C 13 25.993 1.500 . 1 . . . . . 74 ARG CG . 27579 1 799 . 1 1 74 74 ARG CD C 13 42.412 1.500 . 1 . . . . . 74 ARG CD . 27579 1 800 . 1 1 74 74 ARG N N 15 117.847 1.500 . 1 . . . . . 74 ARG N . 27579 1 801 . 1 1 75 75 GLN H H 1 6.877 0.100 . 1 . . . . . 75 GLN H . 27579 1 802 . 1 1 75 75 GLN HA H 1 4.248 0.100 . 1 . . . . . 75 GLN HA . 27579 1 803 . 1 1 75 75 GLN HB2 H 1 1.726 0.100 . 2 . . . . . 75 GLN HB2 . 27579 1 804 . 1 1 75 75 GLN HB3 H 1 1.660 0.100 . 2 . . . . . 75 GLN HB3 . 27579 1 805 . 1 1 75 75 GLN HG2 H 1 2.033 0.100 . 2 . . . . . 75 GLN HG2 . 27579 1 806 . 1 1 75 75 GLN HG3 H 1 2.073 0.100 . 2 . . . . . 75 GLN HG3 . 27579 1 807 . 1 1 75 75 GLN HE21 H 1 7.401 0.100 . 2 . . . . . 75 GLN HE21 . 27579 1 808 . 1 1 75 75 GLN HE22 H 1 6.507 0.100 . 2 . . . . . 75 GLN HE22 . 27579 1 809 . 1 1 75 75 GLN CA C 13 55.677 1.500 . 1 . . . . . 75 GLN CA . 27579 1 810 . 1 1 75 75 GLN CB C 13 32.239 1.500 . 1 . . . . . 75 GLN CB . 27579 1 811 . 1 1 75 75 GLN CG C 13 34.240 1.500 . 1 . . . . . 75 GLN CG . 27579 1 812 . 1 1 75 75 GLN N N 15 118.356 1.500 . 1 . . . . . 75 GLN N . 27579 1 813 . 1 1 75 75 GLN NE2 N 15 110.956 1.500 . 1 . . . . . 75 GLN NE2 . 27579 1 814 . 1 1 76 76 GLU H H 1 8.643 0.100 . 1 . . . . . 76 GLU H . 27579 1 815 . 1 1 76 76 GLU HA H 1 4.019 0.100 . 1 . . . . . 76 GLU HA . 27579 1 816 . 1 1 76 76 GLU HB2 H 1 1.960 0.100 . 1 . . . . . 76 GLU HB2 . 27579 1 817 . 1 1 76 76 GLU HB3 H 1 2.027 0.100 . 1 . . . . . 76 GLU HB3 . 27579 1 818 . 1 1 76 76 GLU HG2 H 1 2.235 0.100 . 2 . . . . . 76 GLU HG2 . 27579 1 819 . 1 1 76 76 GLU HG3 H 1 2.287 0.100 . 2 . . . . . 76 GLU HG3 . 27579 1 820 . 1 1 76 76 GLU CA C 13 59.295 1.500 . 1 . . . . . 76 GLU CA . 27579 1 821 . 1 1 76 76 GLU CB C 13 29.766 1.500 . 1 . . . . . 76 GLU CB . 27579 1 822 . 1 1 76 76 GLU CG C 13 36.270 1.500 . 1 . . . . . 76 GLU CG . 27579 1 823 . 1 1 77 77 LYS H H 1 7.992 0.100 . 1 . . . . . 77 LYS H . 27579 1 824 . 1 1 77 77 LYS HA H 1 4.655 0.100 . 1 . . . . . 77 LYS HA . 27579 1 825 . 1 1 77 77 LYS HB2 H 1 1.623 0.100 . 2 . . . . . 77 LYS HB2 . 27579 1 826 . 1 1 77 77 LYS HB3 H 1 1.657 0.100 . 2 . . . . . 77 LYS HB3 . 27579 1 827 . 1 1 77 77 LYS HG2 H 1 1.190 0.100 . 2 . . . . . 77 LYS HG2 . 27579 1 828 . 1 1 77 77 LYS HG3 H 1 1.328 0.100 . 2 . . . . . 77 LYS HG3 . 27579 1 829 . 1 1 77 77 LYS HD2 H 1 1.636 0.100 . 2 . . . . . 77 LYS QD . 27579 1 830 . 1 1 77 77 LYS HD3 H 1 1.636 0.100 . 2 . . . . . 77 LYS QD . 27579 1 831 . 1 1 77 77 LYS HE2 H 1 2.929 0.100 . 2 . . . . . 77 LYS QE . 27579 1 832 . 1 1 77 77 LYS HE3 H 1 2.929 0.100 . 2 . . . . . 77 LYS QE . 27579 1 833 . 1 1 77 77 LYS CA C 13 55.300 1.500 . 1 . . . . . 77 LYS CA . 27579 1 834 . 1 1 77 77 LYS CB C 13 34.111 1.500 . 1 . . . . . 77 LYS CB . 27579 1 835 . 1 1 77 77 LYS CG C 13 24.674 1.500 . 1 . . . . . 77 LYS CG . 27579 1 836 . 1 1 77 77 LYS CD C 13 29.153 1.500 . 1 . . . . . 77 LYS CD . 27579 1 837 . 1 1 77 77 LYS CE C 13 42.158 1.500 . 1 . . . . . 77 LYS CE . 27579 1 838 . 1 1 77 77 LYS N N 15 117.767 1.500 . 1 . . . . . 77 LYS N . 27579 1 839 . 1 1 78 78 ILE H H 1 7.799 0.100 . 1 . . . . . 78 ILE H . 27579 1 840 . 1 1 78 78 ILE HA H 1 3.831 0.100 . 1 . . . . . 78 ILE HA . 27579 1 841 . 1 1 78 78 ILE HB H 1 1.218 0.100 . 1 . . . . . 78 ILE HB . 27579 1 842 . 1 1 78 78 ILE HG12 H 1 1.091 0.100 . 1 . . . . . 78 ILE HG12 . 27579 1 843 . 1 1 78 78 ILE HG13 H 1 1.189 0.100 . 1 . . . . . 78 ILE HG13 . 27579 1 844 . 1 1 78 78 ILE HG21 H 1 0.519 0.100 . 1 . . . . . 78 ILE QG2 . 27579 1 845 . 1 1 78 78 ILE HG22 H 1 0.519 0.100 . 1 . . . . . 78 ILE QG2 . 27579 1 846 . 1 1 78 78 ILE HG23 H 1 0.519 0.100 . 1 . . . . . 78 ILE QG2 . 27579 1 847 . 1 1 78 78 ILE HD11 H 1 0.642 0.100 . 1 . . . . . 78 ILE QD1 . 27579 1 848 . 1 1 78 78 ILE HD12 H 1 0.642 0.100 . 1 . . . . . 78 ILE QD1 . 27579 1 849 . 1 1 78 78 ILE HD13 H 1 0.642 0.100 . 1 . . . . . 78 ILE QD1 . 27579 1 850 . 1 1 78 78 ILE CA C 13 61.022 1.500 . 1 . . . . . 78 ILE CA . 27579 1 851 . 1 1 78 78 ILE CB C 13 37.432 1.500 . 1 . . . . . 78 ILE CB . 27579 1 852 . 1 1 78 78 ILE CG1 C 13 26.807 1.500 . 1 . . . . . 78 ILE CG1 . 27579 1 853 . 1 1 78 78 ILE CG2 C 13 16.461 1.500 . 1 . . . . . 78 ILE CG2 . 27579 1 854 . 1 1 78 78 ILE CD1 C 13 12.708 1.500 . 1 . . . . . 78 ILE CD1 . 27579 1 855 . 1 1 78 78 ILE N N 15 126.114 1.500 . 1 . . . . . 78 ILE N . 27579 1 856 . 1 1 79 79 THR H H 1 8.171 0.100 . 1 . . . . . 79 THR H . 27579 1 857 . 1 1 79 79 THR HA H 1 4.338 0.100 . 1 . . . . . 79 THR HA . 27579 1 858 . 1 1 79 79 THR HB H 1 4.401 0.100 . 1 . . . . . 79 THR HB . 27579 1 859 . 1 1 79 79 THR HG21 H 1 1.040 0.100 . 1 . . . . . 79 THR QG2 . 27579 1 860 . 1 1 79 79 THR HG22 H 1 1.040 0.100 . 1 . . . . . 79 THR QG2 . 27579 1 861 . 1 1 79 79 THR HG23 H 1 1.040 0.100 . 1 . . . . . 79 THR QG2 . 27579 1 862 . 1 1 79 79 THR CA C 13 60.688 1.500 . 1 . . . . . 79 THR CA . 27579 1 863 . 1 1 79 79 THR CB C 13 69.924 1.500 . 1 . . . . . 79 THR CB . 27579 1 864 . 1 1 79 79 THR CG2 C 13 21.347 1.500 . 1 . . . . . 79 THR CG2 . 27579 1 865 . 1 1 79 79 THR N N 15 116.386 1.500 . 1 . . . . . 79 THR N . 27579 1 866 . 1 1 80 80 ARG H H 1 7.573 0.100 . 1 . . . . . 80 ARG H . 27579 1 867 . 1 1 80 80 ARG HA H 1 4.584 0.100 . 1 . . . . . 80 ARG HA . 27579 1 868 . 1 1 80 80 ARG HB2 H 1 2.014 0.100 . 2 . . . . . 80 ARG HB2 . 27579 1 869 . 1 1 80 80 ARG HB3 H 1 1.947 0.100 . 2 . . . . . 80 ARG HB3 . 27579 1 870 . 1 1 80 80 ARG HG2 H 1 1.619 0.100 . 1 . . . . . 80 ARG HG2 . 27579 1 871 . 1 1 80 80 ARG HG3 H 1 1.447 0.100 . 1 . . . . . 80 ARG HG3 . 27579 1 872 . 1 1 80 80 ARG HD2 H 1 3.722 0.100 . 1 . . . . . 80 ARG HD2 . 27579 1 873 . 1 1 80 80 ARG HD3 H 1 2.508 0.100 . 1 . . . . . 80 ARG HD3 . 27579 1 874 . 1 1 80 80 ARG CA C 13 55.751 1.500 . 1 . . . . . 80 ARG CA . 27579 1 875 . 1 1 80 80 ARG CB C 13 30.962 1.500 . 1 . . . . . 80 ARG CB . 27579 1 876 . 1 1 80 80 ARG CD C 13 43.621 1.500 . 1 . . . . . 80 ARG CD . 27579 1 877 . 1 1 80 80 ARG N N 15 123.871 1.500 . 1 . . . . . 80 ARG N . 27579 1 878 . 1 1 81 81 THR H H 1 8.988 0.100 . 1 . . . . . 81 THR H . 27579 1 879 . 1 1 81 81 THR HA H 1 4.583 0.100 . 1 . . . . . 81 THR HA . 27579 1 880 . 1 1 81 81 THR HB H 1 4.766 0.100 . 1 . . . . . 81 THR HB . 27579 1 881 . 1 1 81 81 THR HG21 H 1 1.394 0.100 . 1 . . . . . 81 THR QG2 . 27579 1 882 . 1 1 81 81 THR HG22 H 1 1.394 0.100 . 1 . . . . . 81 THR QG2 . 27579 1 883 . 1 1 81 81 THR HG23 H 1 1.394 0.100 . 1 . . . . . 81 THR QG2 . 27579 1 884 . 1 1 81 81 THR CA C 13 61.039 1.500 . 1 . . . . . 81 THR CA . 27579 1 885 . 1 1 81 81 THR CB C 13 71.710 1.500 . 1 . . . . . 81 THR CB . 27579 1 886 . 1 1 81 81 THR CG2 C 13 22.040 1.500 . 1 . . . . . 81 THR CG2 . 27579 1 887 . 1 1 81 81 THR N N 15 113.517 1.500 . 1 . . . . . 81 THR N . 27579 1 888 . 1 1 82 82 LYS H H 1 8.830 0.100 . 1 . . . . . 82 LYS H . 27579 1 889 . 1 1 82 82 LYS HA H 1 3.420 0.100 . 1 . . . . . 82 LYS HA . 27579 1 890 . 1 1 82 82 LYS HB2 H 1 1.344 0.100 . 1 . . . . . 82 LYS HB2 . 27579 1 891 . 1 1 82 82 LYS HB3 H 1 1.071 0.100 . 1 . . . . . 82 LYS HB3 . 27579 1 892 . 1 1 82 82 LYS HG2 H 1 0.765 0.100 . 1 . . . . . 82 LYS HG2 . 27579 1 893 . 1 1 82 82 LYS HG3 H 1 1.010 0.100 . 1 . . . . . 82 LYS HG3 . 27579 1 894 . 1 1 82 82 LYS HD2 H 1 1.468 0.100 . 2 . . . . . 82 LYS QD . 27579 1 895 . 1 1 82 82 LYS HD3 H 1 1.468 0.100 . 2 . . . . . 82 LYS QD . 27579 1 896 . 1 1 82 82 LYS HE2 H 1 2.788 0.100 . 2 . . . . . 82 LYS QE . 27579 1 897 . 1 1 82 82 LYS HE3 H 1 2.788 0.100 . 2 . . . . . 82 LYS QE . 27579 1 898 . 1 1 82 82 LYS CA C 13 60.291 1.500 . 1 . . . . . 82 LYS CA . 27579 1 899 . 1 1 82 82 LYS CB C 13 32.071 1.500 . 1 . . . . . 82 LYS CB . 27579 1 900 . 1 1 82 82 LYS CG C 13 24.550 1.500 . 1 . . . . . 82 LYS CG . 27579 1 901 . 1 1 82 82 LYS CD C 13 29.823 1.500 . 1 . . . . . 82 LYS CD . 27579 1 902 . 1 1 82 82 LYS CE C 13 41.794 1.500 . 1 . . . . . 82 LYS CE . 27579 1 903 . 1 1 82 82 LYS N N 15 122.414 1.500 . 1 . . . . . 82 LYS N . 27579 1 904 . 1 1 83 83 GLU H H 1 8.520 0.100 . 1 . . . . . 83 GLU H . 27579 1 905 . 1 1 83 83 GLU HA H 1 3.878 0.100 . 1 . . . . . 83 GLU HA . 27579 1 906 . 1 1 83 83 GLU HB2 H 1 2.040 0.100 . 2 . . . . . 83 GLU HB2 . 27579 1 907 . 1 1 83 83 GLU HB3 H 1 1.891 0.100 . 2 . . . . . 83 GLU HB3 . 27579 1 908 . 1 1 83 83 GLU HG2 H 1 2.197 0.100 . 2 . . . . . 83 GLU HG2 . 27579 1 909 . 1 1 83 83 GLU HG3 H 1 2.427 0.100 . 2 . . . . . 83 GLU HG3 . 27579 1 910 . 1 1 83 83 GLU CA C 13 60.856 1.500 . 1 . . . . . 83 GLU CA . 27579 1 911 . 1 1 83 83 GLU CB C 13 28.645 1.500 . 1 . . . . . 83 GLU CB . 27579 1 912 . 1 1 83 83 GLU CG C 13 37.368 1.500 . 1 . . . . . 83 GLU CG . 27579 1 913 . 1 1 83 83 GLU N N 15 118.267 1.500 . 1 . . . . . 83 GLU N . 27579 1 914 . 1 1 84 84 GLU H H 1 7.924 0.100 . 1 . . . . . 84 GLU H . 27579 1 915 . 1 1 84 84 GLU HA H 1 3.935 0.100 . 1 . . . . . 84 GLU HA . 27579 1 916 . 1 1 84 84 GLU HB2 H 1 1.895 0.100 . 2 . . . . . 84 GLU HB2 . 27579 1 917 . 1 1 84 84 GLU HB3 H 1 2.392 0.100 . 2 . . . . . 84 GLU HB3 . 27579 1 918 . 1 1 84 84 GLU HG2 H 1 2.236 0.100 . 2 . . . . . 84 GLU HG2 . 27579 1 919 . 1 1 84 84 GLU HG3 H 1 2.357 0.100 . 2 . . . . . 84 GLU HG3 . 27579 1 920 . 1 1 84 84 GLU CA C 13 58.995 1.500 . 1 . . . . . 84 GLU CA . 27579 1 921 . 1 1 84 84 GLU CB C 13 30.146 1.500 . 1 . . . . . 84 GLU CB . 27579 1 922 . 1 1 84 84 GLU CG C 13 36.937 1.500 . 1 . . . . . 84 GLU CG . 27579 1 923 . 1 1 84 84 GLU N N 15 121.683 1.500 . 1 . . . . . 84 GLU N . 27579 1 924 . 1 1 85 85 ALA H H 1 8.635 0.100 . 1 . . . . . 85 ALA H . 27579 1 925 . 1 1 85 85 ALA HA H 1 3.975 0.100 . 1 . . . . . 85 ALA HA . 27579 1 926 . 1 1 85 85 ALA HB1 H 1 1.405 0.100 . 1 . . . . . 85 ALA QB . 27579 1 927 . 1 1 85 85 ALA HB2 H 1 1.405 0.100 . 1 . . . . . 85 ALA QB . 27579 1 928 . 1 1 85 85 ALA HB3 H 1 1.405 0.100 . 1 . . . . . 85 ALA QB . 27579 1 929 . 1 1 85 85 ALA CA C 13 54.992 1.500 . 1 . . . . . 85 ALA CA . 27579 1 930 . 1 1 85 85 ALA CB C 13 18.749 1.500 . 1 . . . . . 85 ALA CB . 27579 1 931 . 1 1 85 85 ALA N N 15 121.983 1.500 . 1 . . . . . 85 ALA N . 27579 1 932 . 1 1 86 86 LEU H H 1 8.176 0.100 . 1 . . . . . 86 LEU H . 27579 1 933 . 1 1 86 86 LEU HA H 1 3.871 0.100 . 1 . . . . . 86 LEU HA . 27579 1 934 . 1 1 86 86 LEU HB2 H 1 2.007 0.100 . 1 . . . . . 86 LEU HB2 . 27579 1 935 . 1 1 86 86 LEU HB3 H 1 1.427 0.100 . 1 . . . . . 86 LEU HB3 . 27579 1 936 . 1 1 86 86 LEU HG H 1 1.658 0.100 . 1 . . . . . 86 LEU HG . 27579 1 937 . 1 1 86 86 LEU HD11 H 1 1.002 0.100 . 1 . . . . . 86 LEU QD1 . 27579 1 938 . 1 1 86 86 LEU HD12 H 1 1.002 0.100 . 1 . . . . . 86 LEU QD1 . 27579 1 939 . 1 1 86 86 LEU HD13 H 1 1.002 0.100 . 1 . . . . . 86 LEU QD1 . 27579 1 940 . 1 1 86 86 LEU HD21 H 1 1.067 0.100 . 1 . . . . . 86 LEU QD2 . 27579 1 941 . 1 1 86 86 LEU HD22 H 1 1.067 0.100 . 1 . . . . . 86 LEU QD2 . 27579 1 942 . 1 1 86 86 LEU HD23 H 1 1.067 0.100 . 1 . . . . . 86 LEU QD2 . 27579 1 943 . 1 1 86 86 LEU CA C 13 57.490 1.500 . 1 . . . . . 86 LEU CA . 27579 1 944 . 1 1 86 86 LEU CB C 13 41.457 1.500 . 1 . . . . . 86 LEU CB . 27579 1 945 . 1 1 86 86 LEU CG C 13 26.896 1.500 . 1 . . . . . 86 LEU CG . 27579 1 946 . 1 1 86 86 LEU CD1 C 13 22.941 1.500 . 1 . . . . . 86 LEU CD1 . 27579 1 947 . 1 1 86 86 LEU CD2 C 13 25.877 1.500 . 1 . . . . . 86 LEU CD2 . 27579 1 948 . 1 1 86 86 LEU N N 15 120.136 1.500 . 1 . . . . . 86 LEU N . 27579 1 949 . 1 1 87 87 GLU H H 1 7.679 0.100 . 1 . . . . . 87 GLU H . 27579 1 950 . 1 1 87 87 GLU HA H 1 4.013 0.100 . 1 . . . . . 87 GLU HA . 27579 1 951 . 1 1 87 87 GLU HB2 H 1 2.021 0.100 . 2 . . . . . 87 GLU HB2 . 27579 1 952 . 1 1 87 87 GLU HB3 H 1 2.055 0.100 . 2 . . . . . 87 GLU HB3 . 27579 1 953 . 1 1 87 87 GLU HG2 H 1 2.178 0.100 . 2 . . . . . 87 GLU HG2 . 27579 1 954 . 1 1 87 87 GLU HG3 H 1 2.292 0.100 . 2 . . . . . 87 GLU HG3 . 27579 1 955 . 1 1 87 87 GLU CA C 13 59.532 1.500 . 1 . . . . . 87 GLU CA . 27579 1 956 . 1 1 87 87 GLU CB C 13 29.268 1.500 . 1 . . . . . 87 GLU CB . 27579 1 957 . 1 1 87 87 GLU CG C 13 36.123 1.500 . 1 . . . . . 87 GLU CG . 27579 1 958 . 1 1 87 87 GLU N N 15 119.311 1.500 . 1 . . . . . 87 GLU N . 27579 1 959 . 1 1 88 88 LEU H H 1 7.730 0.100 . 1 . . . . . 88 LEU H . 27579 1 960 . 1 1 88 88 LEU HA H 1 3.616 0.100 . 1 . . . . . 88 LEU HA . 27579 1 961 . 1 1 88 88 LEU HB2 H 1 1.919 0.100 . 1 . . . . . 88 LEU HB2 . 27579 1 962 . 1 1 88 88 LEU HB3 H 1 0.966 0.100 . 1 . . . . . 88 LEU HB3 . 27579 1 963 . 1 1 88 88 LEU HG H 1 1.526 0.100 . 1 . . . . . 88 LEU HG . 27579 1 964 . 1 1 88 88 LEU HD11 H 1 0.799 0.100 . 1 . . . . . 88 LEU QD1 . 27579 1 965 . 1 1 88 88 LEU HD12 H 1 0.799 0.100 . 1 . . . . . 88 LEU QD1 . 27579 1 966 . 1 1 88 88 LEU HD13 H 1 0.799 0.100 . 1 . . . . . 88 LEU QD1 . 27579 1 967 . 1 1 88 88 LEU HD21 H 1 0.632 0.100 . 1 . . . . . 88 LEU QD2 . 27579 1 968 . 1 1 88 88 LEU HD22 H 1 0.632 0.100 . 1 . . . . . 88 LEU QD2 . 27579 1 969 . 1 1 88 88 LEU HD23 H 1 0.632 0.100 . 1 . . . . . 88 LEU QD2 . 27579 1 970 . 1 1 88 88 LEU CA C 13 57.669 1.500 . 1 . . . . . 88 LEU CA . 27579 1 971 . 1 1 88 88 LEU CB C 13 41.559 1.500 . 1 . . . . . 88 LEU CB . 27579 1 972 . 1 1 88 88 LEU CG C 13 26.925 1.500 . 1 . . . . . 88 LEU CG . 27579 1 973 . 1 1 88 88 LEU CD1 C 13 25.381 1.500 . 1 . . . . . 88 LEU CD1 . 27579 1 974 . 1 1 88 88 LEU CD2 C 13 22.631 1.500 . 1 . . . . . 88 LEU CD2 . 27579 1 975 . 1 1 88 88 LEU N N 15 121.184 1.500 . 1 . . . . . 88 LEU N . 27579 1 976 . 1 1 89 89 ILE H H 1 8.043 0.100 . 1 . . . . . 89 ILE H . 27579 1 977 . 1 1 89 89 ILE HA H 1 3.632 0.100 . 1 . . . . . 89 ILE HA . 27579 1 978 . 1 1 89 89 ILE HB H 1 2.291 0.100 . 1 . . . . . 89 ILE HB . 27579 1 979 . 1 1 89 89 ILE HG12 H 1 1.509 0.100 . 2 . . . . . 89 ILE HG12 . 27579 1 980 . 1 1 89 89 ILE HG13 H 1 1.185 0.100 . 2 . . . . . 89 ILE HG13 . 27579 1 981 . 1 1 89 89 ILE HG21 H 1 0.772 0.100 . 1 . . . . . 89 ILE QG2 . 27579 1 982 . 1 1 89 89 ILE HG22 H 1 0.772 0.100 . 1 . . . . . 89 ILE QG2 . 27579 1 983 . 1 1 89 89 ILE HG23 H 1 0.772 0.100 . 1 . . . . . 89 ILE QG2 . 27579 1 984 . 1 1 89 89 ILE HD11 H 1 0.713 0.100 . 1 . . . . . 89 ILE QD1 . 27579 1 985 . 1 1 89 89 ILE HD12 H 1 0.713 0.100 . 1 . . . . . 89 ILE QD1 . 27579 1 986 . 1 1 89 89 ILE HD13 H 1 0.713 0.100 . 1 . . . . . 89 ILE QD1 . 27579 1 987 . 1 1 89 89 ILE CA C 13 62.595 1.500 . 1 . . . . . 89 ILE CA . 27579 1 988 . 1 1 89 89 ILE CB C 13 35.423 1.500 . 1 . . . . . 89 ILE CB . 27579 1 989 . 1 1 89 89 ILE CG1 C 13 27.346 1.500 . 1 . . . . . 89 ILE CG1 . 27579 1 990 . 1 1 89 89 ILE CG2 C 13 16.512 1.500 . 1 . . . . . 89 ILE CG2 . 27579 1 991 . 1 1 89 89 ILE CD1 C 13 10.527 1.500 . 1 . . . . . 89 ILE CD1 . 27579 1 992 . 1 1 89 89 ILE N N 15 120.207 1.500 . 1 . . . . . 89 ILE N . 27579 1 993 . 1 1 90 90 ASN H H 1 8.730 0.100 . 1 . . . . . 90 ASN H . 27579 1 994 . 1 1 90 90 ASN HA H 1 4.507 0.100 . 1 . . . . . 90 ASN HA . 27579 1 995 . 1 1 90 90 ASN HB2 H 1 2.782 0.100 . 1 . . . . . 90 ASN HB2 . 27579 1 996 . 1 1 90 90 ASN HB3 H 1 2.645 0.100 . 1 . . . . . 90 ASN HB3 . 27579 1 997 . 1 1 90 90 ASN HD21 H 1 6.574 0.100 . 2 . . . . . 90 ASN HD21 . 27579 1 998 . 1 1 90 90 ASN HD22 H 1 7.282 0.100 . 2 . . . . . 90 ASN HD22 . 27579 1 999 . 1 1 90 90 ASN CA C 13 55.954 1.500 . 1 . . . . . 90 ASN CA . 27579 1 1000 . 1 1 90 90 ASN CB C 13 37.636 1.500 . 1 . . . . . 90 ASN CB . 27579 1 1001 . 1 1 90 90 ASN N N 15 118.845 1.500 . 1 . . . . . 90 ASN N . 27579 1 1002 . 1 1 90 90 ASN ND2 N 15 109.964 1.500 . 1 . . . . . 90 ASN ND2 . 27579 1 1003 . 1 1 91 91 GLY H H 1 7.947 0.100 . 1 . . . . . 91 GLY H . 27579 1 1004 . 1 1 91 91 GLY HA2 H 1 3.849 0.100 . 2 . . . . . 91 GLY QA . 27579 1 1005 . 1 1 91 91 GLY HA3 H 1 3.849 0.100 . 2 . . . . . 91 GLY QA . 27579 1 1006 . 1 1 91 91 GLY CA C 13 47.061 1.500 . 1 . . . . . 91 GLY CA . 27579 1 1007 . 1 1 91 91 GLY N N 15 110.186 1.500 . 1 . . . . . 91 GLY N . 27579 1 1008 . 1 1 92 92 TYR H H 1 8.092 0.100 . 1 . . . . . 92 TYR H . 27579 1 1009 . 1 1 92 92 TYR HA H 1 4.402 0.100 . 1 . . . . . 92 TYR HA . 27579 1 1010 . 1 1 92 92 TYR HB2 H 1 3.151 0.100 . 1 . . . . . 92 TYR HB2 . 27579 1 1011 . 1 1 92 92 TYR HB3 H 1 2.842 0.100 . 1 . . . . . 92 TYR HB3 . 27579 1 1012 . 1 1 92 92 TYR HD1 H 1 6.641 0.100 . 3 . . . . . 92 TYR HD1 . 27579 1 1013 . 1 1 92 92 TYR HD2 H 1 6.641 0.100 . 3 . . . . . 92 TYR HD2 . 27579 1 1014 . 1 1 92 92 TYR HE1 H 1 6.147 0.100 . 3 . . . . . 92 TYR HE1 . 27579 1 1015 . 1 1 92 92 TYR HE2 H 1 6.147 0.100 . 3 . . . . . 92 TYR HE2 . 27579 1 1016 . 1 1 92 92 TYR CA C 13 58.681 1.500 . 1 . . . . . 92 TYR CA . 27579 1 1017 . 1 1 92 92 TYR CB C 13 36.004 1.500 . 1 . . . . . 92 TYR CB . 27579 1 1018 . 1 1 92 92 TYR CD1 C 13 131.291 1.500 . 3 . . . . . 92 TYR CD1 . 27579 1 1019 . 1 1 92 92 TYR CD2 C 13 131.291 1.500 . 3 . . . . . 92 TYR CD2 . 27579 1 1020 . 1 1 92 92 TYR CE1 C 13 117.220 1.500 . 3 . . . . . 92 TYR CE1 . 27579 1 1021 . 1 1 92 92 TYR CE2 C 13 117.220 1.500 . 3 . . . . . 92 TYR CE2 . 27579 1 1022 . 1 1 92 92 TYR N N 15 123.037 1.500 . 1 . . . . . 92 TYR N . 27579 1 1023 . 1 1 93 93 ILE H H 1 8.636 0.100 . 1 . . . . . 93 ILE H . 27579 1 1024 . 1 1 93 93 ILE HA H 1 3.516 0.100 . 1 . . . . . 93 ILE HA . 27579 1 1025 . 1 1 93 93 ILE HB H 1 2.061 0.100 . 1 . . . . . 93 ILE HB . 27579 1 1026 . 1 1 93 93 ILE HG12 H 1 2.099 0.100 . 1 . . . . . 93 ILE HG12 . 27579 1 1027 . 1 1 93 93 ILE HG13 H 1 0.991 0.100 . 1 . . . . . 93 ILE HG13 . 27579 1 1028 . 1 1 93 93 ILE HG21 H 1 0.990 0.100 . 1 . . . . . 93 ILE QG2 . 27579 1 1029 . 1 1 93 93 ILE HG22 H 1 0.990 0.100 . 1 . . . . . 93 ILE QG2 . 27579 1 1030 . 1 1 93 93 ILE HG23 H 1 0.990 0.100 . 1 . . . . . 93 ILE QG2 . 27579 1 1031 . 1 1 93 93 ILE HD11 H 1 0.990 0.100 . 1 . . . . . 93 ILE QD1 . 27579 1 1032 . 1 1 93 93 ILE HD12 H 1 0.990 0.100 . 1 . . . . . 93 ILE QD1 . 27579 1 1033 . 1 1 93 93 ILE HD13 H 1 0.990 0.100 . 1 . . . . . 93 ILE QD1 . 27579 1 1034 . 1 1 93 93 ILE CA C 13 67.157 1.500 . 1 . . . . . 93 ILE CA . 27579 1 1035 . 1 1 93 93 ILE CB C 13 38.329 1.500 . 1 . . . . . 93 ILE CB . 27579 1 1036 . 1 1 93 93 ILE CG1 C 13 30.873 1.500 . 1 . . . . . 93 ILE CG1 . 27579 1 1037 . 1 1 93 93 ILE CG2 C 13 17.211 1.500 . 1 . . . . . 93 ILE CG2 . 27579 1 1038 . 1 1 93 93 ILE CD1 C 13 14.258 1.500 . 1 . . . . . 93 ILE CD1 . 27579 1 1039 . 1 1 93 93 ILE N N 15 118.848 1.500 . 1 . . . . . 93 ILE N . 27579 1 1040 . 1 1 94 94 GLN H H 1 7.793 0.100 . 1 . . . . . 94 GLN H . 27579 1 1041 . 1 1 94 94 GLN HA H 1 4.049 0.100 . 1 . . . . . 94 GLN HA . 27579 1 1042 . 1 1 94 94 GLN HB2 H 1 2.262 0.100 . 2 . . . . . 94 GLN HB2 . 27579 1 1043 . 1 1 94 94 GLN HB3 H 1 2.216 0.100 . 2 . . . . . 94 GLN HB3 . 27579 1 1044 . 1 1 94 94 GLN HG2 H 1 2.497 0.100 . 2 . . . . . 94 GLN QG . 27579 1 1045 . 1 1 94 94 GLN HG3 H 1 2.497 0.100 . 2 . . . . . 94 GLN QG . 27579 1 1046 . 1 1 94 94 GLN HE21 H 1 6.887 0.100 . 2 . . . . . 94 GLN HE21 . 27579 1 1047 . 1 1 94 94 GLN HE22 H 1 7.462 0.100 . 2 . . . . . 94 GLN HE22 . 27579 1 1048 . 1 1 94 94 GLN CA C 13 59.125 1.500 . 1 . . . . . 94 GLN CA . 27579 1 1049 . 1 1 94 94 GLN CB C 13 28.014 1.500 . 1 . . . . . 94 GLN CB . 27579 1 1050 . 1 1 94 94 GLN CG C 13 33.632 1.500 . 1 . . . . . 94 GLN CG . 27579 1 1051 . 1 1 94 94 GLN N N 15 117.544 1.500 . 1 . . . . . 94 GLN N . 27579 1 1052 . 1 1 94 94 GLN NE2 N 15 112.123 1.500 . 1 . . . . . 94 GLN NE2 . 27579 1 1053 . 1 1 95 95 LYS H H 1 8.052 0.100 . 1 . . . . . 95 LYS H . 27579 1 1054 . 1 1 95 95 LYS HA H 1 4.094 0.100 . 1 . . . . . 95 LYS HA . 27579 1 1055 . 1 1 95 95 LYS HB2 H 1 2.111 0.100 . 1 . . . . . 95 LYS HB2 . 27579 1 1056 . 1 1 95 95 LYS HB3 H 1 1.673 0.100 . 1 . . . . . 95 LYS HB3 . 27579 1 1057 . 1 1 95 95 LYS HG2 H 1 1.715 0.100 . 2 . . . . . 95 LYS HG2 . 27579 1 1058 . 1 1 95 95 LYS HG3 H 1 1.556 0.100 . 2 . . . . . 95 LYS HG3 . 27579 1 1059 . 1 1 95 95 LYS HD2 H 1 1.705 0.100 . 2 . . . . . 95 LYS HD2 . 27579 1 1060 . 1 1 95 95 LYS HD3 H 1 1.566 0.100 . 2 . . . . . 95 LYS HD3 . 27579 1 1061 . 1 1 95 95 LYS HE2 H 1 2.965 0.100 . 2 . . . . . 95 LYS QE . 27579 1 1062 . 1 1 95 95 LYS HE3 H 1 2.965 0.100 . 2 . . . . . 95 LYS QE . 27579 1 1063 . 1 1 95 95 LYS CA C 13 59.694 1.500 . 1 . . . . . 95 LYS CA . 27579 1 1064 . 1 1 95 95 LYS CB C 13 33.622 1.500 . 1 . . . . . 95 LYS CB . 27579 1 1065 . 1 1 95 95 LYS CG C 13 25.905 1.500 . 1 . . . . . 95 LYS CG . 27579 1 1066 . 1 1 95 95 LYS CD C 13 29.839 1.500 . 1 . . . . . 95 LYS CD . 27579 1 1067 . 1 1 95 95 LYS CE C 13 42.165 1.500 . 1 . . . . . 95 LYS CE . 27579 1 1068 . 1 1 95 95 LYS N N 15 120.167 1.500 . 1 . . . . . 95 LYS N . 27579 1 1069 . 1 1 96 96 ILE H H 1 8.153 0.100 . 1 . . . . . 96 ILE H . 27579 1 1070 . 1 1 96 96 ILE HA H 1 4.289 0.100 . 1 . . . . . 96 ILE HA . 27579 1 1071 . 1 1 96 96 ILE HB H 1 1.819 0.100 . 1 . . . . . 96 ILE HB . 27579 1 1072 . 1 1 96 96 ILE HG12 H 1 0.652 0.100 . 1 . . . . . 96 ILE HG12 . 27579 1 1073 . 1 1 96 96 ILE HG13 H 1 1.813 0.100 . 1 . . . . . 96 ILE HG13 . 27579 1 1074 . 1 1 96 96 ILE HG21 H 1 1.118 0.100 . 1 . . . . . 96 ILE QG2 . 27579 1 1075 . 1 1 96 96 ILE HG22 H 1 1.118 0.100 . 1 . . . . . 96 ILE QG2 . 27579 1 1076 . 1 1 96 96 ILE HG23 H 1 1.118 0.100 . 1 . . . . . 96 ILE QG2 . 27579 1 1077 . 1 1 96 96 ILE HD11 H 1 0.820 0.100 . 1 . . . . . 96 ILE QD1 . 27579 1 1078 . 1 1 96 96 ILE HD12 H 1 0.820 0.100 . 1 . . . . . 96 ILE QD1 . 27579 1 1079 . 1 1 96 96 ILE HD13 H 1 0.820 0.100 . 1 . . . . . 96 ILE QD1 . 27579 1 1080 . 1 1 96 96 ILE CA C 13 64.015 1.500 . 1 . . . . . 96 ILE CA . 27579 1 1081 . 1 1 96 96 ILE CB C 13 39.049 1.500 . 1 . . . . . 96 ILE CB . 27579 1 1082 . 1 1 96 96 ILE CG1 C 13 29.525 1.500 . 1 . . . . . 96 ILE CG1 . 27579 1 1083 . 1 1 96 96 ILE CG2 C 13 18.219 1.500 . 1 . . . . . 96 ILE CG2 . 27579 1 1084 . 1 1 96 96 ILE CD1 C 13 14.843 1.500 . 1 . . . . . 96 ILE CD1 . 27579 1 1085 . 1 1 96 96 ILE N N 15 120.059 1.500 . 1 . . . . . 96 ILE N . 27579 1 1086 . 1 1 97 97 LYS H H 1 9.052 0.100 . 1 . . . . . 97 LYS H . 27579 1 1087 . 1 1 97 97 LYS HA H 1 4.095 0.100 . 1 . . . . . 97 LYS HA . 27579 1 1088 . 1 1 97 97 LYS HB2 H 1 1.902 0.100 . 2 . . . . . 97 LYS HB2 . 27579 1 1089 . 1 1 97 97 LYS HB3 H 1 1.949 0.100 . 2 . . . . . 97 LYS HB3 . 27579 1 1090 . 1 1 97 97 LYS HG2 H 1 1.728 0.100 . 1 . . . . . 97 LYS HG2 . 27579 1 1091 . 1 1 97 97 LYS HG3 H 1 1.497 0.100 . 1 . . . . . 97 LYS HG3 . 27579 1 1092 . 1 1 97 97 LYS HD2 H 1 1.682 0.100 . 2 . . . . . 97 LYS HD2 . 27579 1 1093 . 1 1 97 97 LYS HD3 H 1 1.692 0.100 . 2 . . . . . 97 LYS HD3 . 27579 1 1094 . 1 1 97 97 LYS HE2 H 1 2.983 0.100 . 2 . . . . . 97 LYS QE . 27579 1 1095 . 1 1 97 97 LYS HE3 H 1 2.983 0.100 . 2 . . . . . 97 LYS QE . 27579 1 1096 . 1 1 97 97 LYS CA C 13 59.912 1.500 . 1 . . . . . 97 LYS CA . 27579 1 1097 . 1 1 97 97 LYS CB C 13 32.656 1.500 . 1 . . . . . 97 LYS CB . 27579 1 1098 . 1 1 97 97 LYS CG C 13 26.231 1.500 . 1 . . . . . 97 LYS CG . 27579 1 1099 . 1 1 97 97 LYS CD C 13 29.298 1.500 . 1 . . . . . 97 LYS CD . 27579 1 1100 . 1 1 97 97 LYS CE C 13 42.097 1.500 . 1 . . . . . 97 LYS CE . 27579 1 1101 . 1 1 97 97 LYS N N 15 120.939 1.500 . 1 . . . . . 97 LYS N . 27579 1 1102 . 1 1 98 98 SER H H 1 8.142 0.100 . 1 . . . . . 98 SER H . 27579 1 1103 . 1 1 98 98 SER HA H 1 4.429 0.100 . 1 . . . . . 98 SER HA . 27579 1 1104 . 1 1 98 98 SER HB2 H 1 4.122 0.100 . 2 . . . . . 98 SER HB2 . 27579 1 1105 . 1 1 98 98 SER HB3 H 1 4.053 0.100 . 2 . . . . . 98 SER HB3 . 27579 1 1106 . 1 1 98 98 SER CA C 13 59.494 1.500 . 1 . . . . . 98 SER CA . 27579 1 1107 . 1 1 98 98 SER CB C 13 64.193 1.500 . 1 . . . . . 98 SER CB . 27579 1 1108 . 1 1 98 98 SER N N 15 111.476 1.500 . 1 . . . . . 98 SER N . 27579 1 1109 . 1 1 99 99 GLY H H 1 7.807 0.100 . 1 . . . . . 99 GLY H . 27579 1 1110 . 1 1 99 99 GLY HA2 H 1 4.226 0.100 . 2 . . . . . 99 GLY HA2 . 27579 1 1111 . 1 1 99 99 GLY HA3 H 1 3.902 0.100 . 2 . . . . . 99 GLY HA3 . 27579 1 1112 . 1 1 99 99 GLY CA C 13 45.429 1.500 . 1 . . . . . 99 GLY CA . 27579 1 1113 . 1 1 99 99 GLY N N 15 110.309 1.500 . 1 . . . . . 99 GLY N . 27579 1 1114 . 1 1 100 100 GLU H H 1 8.257 0.100 . 1 . . . . . 100 GLU H . 27579 1 1115 . 1 1 100 100 GLU HA H 1 4.017 0.100 . 1 . . . . . 100 GLU HA . 27579 1 1116 . 1 1 100 100 GLU HB2 H 1 2.036 0.100 . 2 . . . . . 100 GLU QB . 27579 1 1117 . 1 1 100 100 GLU HB3 H 1 2.036 0.100 . 2 . . . . . 100 GLU QB . 27579 1 1118 . 1 1 100 100 GLU HG2 H 1 2.355 0.100 . 2 . . . . . 100 GLU QG . 27579 1 1119 . 1 1 100 100 GLU HG3 H 1 2.355 0.100 . 2 . . . . . 100 GLU QG . 27579 1 1120 . 1 1 100 100 GLU CA C 13 58.965 1.500 . 1 . . . . . 100 GLU CA . 27579 1 1121 . 1 1 100 100 GLU CB C 13 30.991 1.500 . 1 . . . . . 100 GLU CB . 27579 1 1122 . 1 1 100 100 GLU CG C 13 36.932 1.500 . 1 . . . . . 100 GLU CG . 27579 1 1123 . 1 1 100 100 GLU N N 15 121.757 1.500 . 1 . . . . . 100 GLU N . 27579 1 1124 . 1 1 101 101 GLU H H 1 7.375 0.100 . 1 . . . . . 101 GLU H . 27579 1 1125 . 1 1 101 101 GLU HA H 1 4.631 0.100 . 1 . . . . . 101 GLU HA . 27579 1 1126 . 1 1 101 101 GLU HB2 H 1 1.966 0.100 . 1 . . . . . 101 GLU HB2 . 27579 1 1127 . 1 1 101 101 GLU HB3 H 1 1.345 0.100 . 1 . . . . . 101 GLU HB3 . 27579 1 1128 . 1 1 101 101 GLU HG2 H 1 2.222 0.100 . 2 . . . . . 101 GLU QG . 27579 1 1129 . 1 1 101 101 GLU HG3 H 1 2.222 0.100 . 2 . . . . . 101 GLU QG . 27579 1 1130 . 1 1 101 101 GLU CA C 13 54.252 1.500 . 1 . . . . . 101 GLU CA . 27579 1 1131 . 1 1 101 101 GLU CB C 13 34.332 1.500 . 1 . . . . . 101 GLU CB . 27579 1 1132 . 1 1 101 101 GLU CG C 13 35.990 1.500 . 1 . . . . . 101 GLU CG . 27579 1 1133 . 1 1 101 101 GLU N N 15 114.325 1.500 . 1 . . . . . 101 GLU N . 27579 1 1134 . 1 1 102 102 ASP H H 1 8.343 0.100 . 1 . . . . . 102 ASP H . 27579 1 1135 . 1 1 102 102 ASP HA H 1 4.875 0.100 . 1 . . . . . 102 ASP HA . 27579 1 1136 . 1 1 102 102 ASP HB2 H 1 2.926 0.100 . 2 . . . . . 102 ASP HB2 . 27579 1 1137 . 1 1 102 102 ASP HB3 H 1 2.677 0.100 . 2 . . . . . 102 ASP HB3 . 27579 1 1138 . 1 1 102 102 ASP CA C 13 52.343 1.500 . 1 . . . . . 102 ASP CA . 27579 1 1139 . 1 1 102 102 ASP CB C 13 43.166 1.500 . 1 . . . . . 102 ASP CB . 27579 1 1140 . 1 1 102 102 ASP N N 15 118.595 1.500 . 1 . . . . . 102 ASP N . 27579 1 1141 . 1 1 103 103 PHE H H 1 9.092 0.100 . 1 . . . . . 103 PHE H . 27579 1 1142 . 1 1 103 103 PHE HA H 1 3.624 0.100 . 1 . . . . . 103 PHE HA . 27579 1 1143 . 1 1 103 103 PHE HB2 H 1 3.122 0.100 . 2 . . . . . 103 PHE HB2 . 27579 1 1144 . 1 1 103 103 PHE HB3 H 1 3.057 0.100 . 2 . . . . . 103 PHE HB3 . 27579 1 1145 . 1 1 103 103 PHE HD1 H 1 7.024 0.100 . 3 . . . . . 103 PHE HD1 . 27579 1 1146 . 1 1 103 103 PHE HD2 H 1 7.024 0.100 . 3 . . . . . 103 PHE HD2 . 27579 1 1147 . 1 1 103 103 PHE HE1 H 1 6.921 0.100 . 3 . . . . . 103 PHE HE1 . 27579 1 1148 . 1 1 103 103 PHE HE2 H 1 6.921 0.100 . 3 . . . . . 103 PHE HE2 . 27579 1 1149 . 1 1 103 103 PHE CA C 13 62.750 1.500 . 1 . . . . . 103 PHE CA . 27579 1 1150 . 1 1 103 103 PHE CB C 13 40.152 1.500 . 1 . . . . . 103 PHE CB . 27579 1 1151 . 1 1 103 103 PHE CD1 C 13 131.966 1.500 . 3 . . . . . 103 PHE CD1 . 27579 1 1152 . 1 1 103 103 PHE CD2 C 13 131.966 1.500 . 3 . . . . . 103 PHE CD2 . 27579 1 1153 . 1 1 103 103 PHE CE1 C 13 130.132 1.500 . 3 . . . . . 103 PHE CE1 . 27579 1 1154 . 1 1 103 103 PHE CE2 C 13 130.132 1.500 . 3 . . . . . 103 PHE CE2 . 27579 1 1155 . 1 1 103 103 PHE N N 15 122.253 1.500 . 1 . . . . . 103 PHE N . 27579 1 1156 . 1 1 104 104 GLU H H 1 8.981 0.100 . 1 . . . . . 104 GLU H . 27579 1 1157 . 1 1 104 104 GLU HA H 1 3.810 0.100 . 1 . . . . . 104 GLU HA . 27579 1 1158 . 1 1 104 104 GLU HB2 H 1 2.221 0.100 . 2 . . . . . 104 GLU HB2 . 27579 1 1159 . 1 1 104 104 GLU HB3 H 1 2.010 0.100 . 2 . . . . . 104 GLU HB3 . 27579 1 1160 . 1 1 104 104 GLU HG2 H 1 2.643 0.100 . 2 . . . . . 104 GLU HG2 . 27579 1 1161 . 1 1 104 104 GLU HG3 H 1 2.594 0.100 . 2 . . . . . 104 GLU HG3 . 27579 1 1162 . 1 1 104 104 GLU CA C 13 60.649 1.500 . 1 . . . . . 104 GLU CA . 27579 1 1163 . 1 1 104 104 GLU CB C 13 29.732 1.500 . 1 . . . . . 104 GLU CB . 27579 1 1164 . 1 1 104 104 GLU CG C 13 37.892 1.500 . 1 . . . . . 104 GLU CG . 27579 1 1165 . 1 1 104 104 GLU N N 15 116.648 1.500 . 1 . . . . . 104 GLU N . 27579 1 1166 . 1 1 105 105 SER H H 1 8.039 0.100 . 1 . . . . . 105 SER H . 27579 1 1167 . 1 1 105 105 SER HA H 1 4.135 0.100 . 1 . . . . . 105 SER HA . 27579 1 1168 . 1 1 105 105 SER HB2 H 1 3.935 0.100 . 1 . . . . . 105 SER HB2 . 27579 1 1169 . 1 1 105 105 SER HB3 H 1 3.986 0.100 . 1 . . . . . 105 SER HB3 . 27579 1 1170 . 1 1 105 105 SER CA C 13 61.339 1.500 . 1 . . . . . 105 SER CA . 27579 1 1171 . 1 1 105 105 SER CB C 13 62.681 1.500 . 1 . . . . . 105 SER CB . 27579 1 1172 . 1 1 105 105 SER N N 15 115.926 1.500 . 1 . . . . . 105 SER N . 27579 1 1173 . 1 1 106 106 LEU H H 1 7.669 0.100 . 1 . . . . . 106 LEU H . 27579 1 1174 . 1 1 106 106 LEU HA H 1 3.967 0.100 . 1 . . . . . 106 LEU HA . 27579 1 1175 . 1 1 106 106 LEU HB2 H 1 1.469 0.100 . 2 . . . . . 106 LEU HB2 . 27579 1 1176 . 1 1 106 106 LEU HB3 H 1 0.712 0.100 . 2 . . . . . 106 LEU HB3 . 27579 1 1177 . 1 1 106 106 LEU HG H 1 1.589 0.100 . 1 . . . . . 106 LEU HG . 27579 1 1178 . 1 1 106 106 LEU HD11 H 1 0.656 0.100 . 1 . . . . . 106 LEU QD1 . 27579 1 1179 . 1 1 106 106 LEU HD12 H 1 0.656 0.100 . 1 . . . . . 106 LEU QD1 . 27579 1 1180 . 1 1 106 106 LEU HD13 H 1 0.656 0.100 . 1 . . . . . 106 LEU QD1 . 27579 1 1181 . 1 1 106 106 LEU HD21 H 1 0.725 0.100 . 1 . . . . . 106 LEU QD2 . 27579 1 1182 . 1 1 106 106 LEU HD22 H 1 0.725 0.100 . 1 . . . . . 106 LEU QD2 . 27579 1 1183 . 1 1 106 106 LEU HD23 H 1 0.725 0.100 . 1 . . . . . 106 LEU QD2 . 27579 1 1184 . 1 1 106 106 LEU CA C 13 57.391 1.500 . 1 . . . . . 106 LEU CA . 27579 1 1185 . 1 1 106 106 LEU CB C 13 41.639 1.500 . 1 . . . . . 106 LEU CB . 27579 1 1186 . 1 1 106 106 LEU CG C 13 26.217 1.500 . 1 . . . . . 106 LEU CG . 27579 1 1187 . 1 1 106 106 LEU CD1 C 13 26.620 1.500 . 1 . . . . . 106 LEU CD1 . 27579 1 1188 . 1 1 106 106 LEU CD2 C 13 23.083 1.500 . 1 . . . . . 106 LEU CD2 . 27579 1 1189 . 1 1 106 106 LEU N N 15 120.738 1.500 . 1 . . . . . 106 LEU N . 27579 1 1190 . 1 1 107 107 ALA H H 1 8.777 0.100 . 1 . . . . . 107 ALA H . 27579 1 1191 . 1 1 107 107 ALA HA H 1 3.620 0.100 . 1 . . . . . 107 ALA HA . 27579 1 1192 . 1 1 107 107 ALA HB1 H 1 0.992 0.100 . 1 . . . . . 107 ALA QB . 27579 1 1193 . 1 1 107 107 ALA HB2 H 1 0.992 0.100 . 1 . . . . . 107 ALA QB . 27579 1 1194 . 1 1 107 107 ALA HB3 H 1 0.992 0.100 . 1 . . . . . 107 ALA QB . 27579 1 1195 . 1 1 107 107 ALA CA C 13 55.476 1.500 . 1 . . . . . 107 ALA CA . 27579 1 1196 . 1 1 107 107 ALA CB C 13 16.830 1.500 . 1 . . . . . 107 ALA CB . 27579 1 1197 . 1 1 107 107 ALA N N 15 122.546 1.500 . 1 . . . . . 107 ALA N . 27579 1 1198 . 1 1 108 108 SER H H 1 7.678 0.100 . 1 . . . . . 108 SER H . 27579 1 1199 . 1 1 108 108 SER HA H 1 4.502 0.100 . 1 . . . . . 108 SER HA . 27579 1 1200 . 1 1 108 108 SER HB2 H 1 3.933 0.100 . 2 . . . . . 108 SER HB2 . 27579 1 1201 . 1 1 108 108 SER HB3 H 1 3.840 0.100 . 2 . . . . . 108 SER HB3 . 27579 1 1202 . 1 1 108 108 SER CA C 13 61.062 1.500 . 1 . . . . . 108 SER CA . 27579 1 1203 . 1 1 108 108 SER CB C 13 63.761 1.500 . 1 . . . . . 108 SER CB . 27579 1 1204 . 1 1 108 108 SER N N 15 108.477 1.500 . 1 . . . . . 108 SER N . 27579 1 1205 . 1 1 109 109 GLN H H 1 6.852 0.100 . 1 . . . . . 109 GLN H . 27579 1 1206 . 1 1 109 109 GLN HA H 1 4.142 0.100 . 1 . . . . . 109 GLN HA . 27579 1 1207 . 1 1 109 109 GLN HB2 H 1 1.069 0.100 . 2 . . . . . 109 GLN HB2 . 27579 1 1208 . 1 1 109 109 GLN HB3 H 1 0.762 0.100 . 2 . . . . . 109 GLN HB3 . 27579 1 1209 . 1 1 109 109 GLN HG2 H 1 1.626 0.100 . 1 . . . . . 109 GLN HG2 . 27579 1 1210 . 1 1 109 109 GLN HG3 H 1 2.103 0.100 . 1 . . . . . 109 GLN HG3 . 27579 1 1211 . 1 1 109 109 GLN HE21 H 1 6.710 0.100 . 2 . . . . . 109 GLN HE21 . 27579 1 1212 . 1 1 109 109 GLN HE22 H 1 6.954 0.100 . 2 . . . . . 109 GLN HE22 . 27579 1 1213 . 1 1 109 109 GLN CA C 13 57.472 1.500 . 1 . . . . . 109 GLN CA . 27579 1 1214 . 1 1 109 109 GLN CB C 13 31.309 1.500 . 1 . . . . . 109 GLN CB . 27579 1 1215 . 1 1 109 109 GLN CG C 13 34.765 1.500 . 1 . . . . . 109 GLN CG . 27579 1 1216 . 1 1 109 109 GLN N N 15 115.061 1.500 . 1 . . . . . 109 GLN N . 27579 1 1217 . 1 1 109 109 GLN NE2 N 15 111.138 1.500 . 1 . . . . . 109 GLN NE2 . 27579 1 1218 . 1 1 110 110 PHE H H 1 8.121 0.100 . 1 . . . . . 110 PHE H . 27579 1 1219 . 1 1 110 110 PHE HA H 1 4.726 0.100 . 1 . . . . . 110 PHE HA . 27579 1 1220 . 1 1 110 110 PHE HB2 H 1 3.355 0.100 . 2 . . . . . 110 PHE HB2 . 27579 1 1221 . 1 1 110 110 PHE HB3 H 1 2.125 0.100 . 2 . . . . . 110 PHE HB3 . 27579 1 1222 . 1 1 110 110 PHE HD1 H 1 6.933 0.100 . 3 . . . . . 110 PHE HD1 . 27579 1 1223 . 1 1 110 110 PHE HD2 H 1 6.933 0.100 . 3 . . . . . 110 PHE HD2 . 27579 1 1224 . 1 1 110 110 PHE HE1 H 1 7.181 0.100 . 3 . . . . . 110 PHE HE1 . 27579 1 1225 . 1 1 110 110 PHE HE2 H 1 7.181 0.100 . 3 . . . . . 110 PHE HE2 . 27579 1 1226 . 1 1 110 110 PHE HZ H 1 7.185 0.100 . 1 . . . . . 110 PHE HZ . 27579 1 1227 . 1 1 110 110 PHE CA C 13 57.490 1.500 . 1 . . . . . 110 PHE CA . 27579 1 1228 . 1 1 110 110 PHE CB C 13 41.286 1.500 . 1 . . . . . 110 PHE CB . 27579 1 1229 . 1 1 110 110 PHE CD1 C 13 131.934 1.500 . 3 . . . . . 110 PHE CD1 . 27579 1 1230 . 1 1 110 110 PHE CD2 C 13 131.934 1.500 . 3 . . . . . 110 PHE CD2 . 27579 1 1231 . 1 1 110 110 PHE CE1 C 13 130.712 1.500 . 3 . . . . . 110 PHE CE1 . 27579 1 1232 . 1 1 110 110 PHE CE2 C 13 130.712 1.500 . 3 . . . . . 110 PHE CE2 . 27579 1 1233 . 1 1 110 110 PHE CZ C 13 129.728 1.500 . 1 . . . . . 110 PHE CZ . 27579 1 1234 . 1 1 110 110 PHE N N 15 112.565 1.500 . 1 . . . . . 110 PHE N . 27579 1 1235 . 1 1 111 111 SER H H 1 7.829 0.100 . 1 . . . . . 111 SER H . 27579 1 1236 . 1 1 111 111 SER HA H 1 4.705 0.100 . 1 . . . . . 111 SER HA . 27579 1 1237 . 1 1 111 111 SER HB2 H 1 4.521 0.100 . 2 . . . . . 111 SER HB2 . 27579 1 1238 . 1 1 111 111 SER HB3 H 1 3.933 0.100 . 2 . . . . . 111 SER HB3 . 27579 1 1239 . 1 1 111 111 SER CA C 13 57.162 1.500 . 1 . . . . . 111 SER CA . 27579 1 1240 . 1 1 111 111 SER CB C 13 66.011 1.500 . 1 . . . . . 111 SER CB . 27579 1 1241 . 1 1 111 111 SER N N 15 111.342 1.500 . 1 . . . . . 111 SER N . 27579 1 1242 . 1 1 112 112 ASP H H 1 9.925 0.100 . 1 . . . . . 112 ASP H . 27579 1 1243 . 1 1 112 112 ASP HA H 1 4.551 0.100 . 1 . . . . . 112 ASP HA . 27579 1 1244 . 1 1 112 112 ASP HB2 H 1 2.735 0.100 . 2 . . . . . 112 ASP HB2 . 27579 1 1245 . 1 1 112 112 ASP HB3 H 1 2.192 0.100 . 2 . . . . . 112 ASP HB3 . 27579 1 1246 . 1 1 112 112 ASP CA C 13 56.066 1.500 . 1 . . . . . 112 ASP CA . 27579 1 1247 . 1 1 112 112 ASP CB C 13 43.507 1.500 . 1 . . . . . 112 ASP CB . 27579 1 1248 . 1 1 112 112 ASP N N 15 124.749 1.500 . 1 . . . . . 112 ASP N . 27579 1 1249 . 1 1 113 113 CYS H H 1 8.116 0.100 . 1 . . . . . 113 CYS H . 27579 1 1250 . 1 1 113 113 CYS HA H 1 4.542 0.100 . 1 . . . . . 113 CYS HA . 27579 1 1251 . 1 1 113 113 CYS HB2 H 1 2.772 0.100 . 1 . . . . . 113 CYS HB2 . 27579 1 1252 . 1 1 113 113 CYS HB3 H 1 2.524 0.100 . 1 . . . . . 113 CYS HB3 . 27579 1 1253 . 1 1 113 113 CYS CA C 13 59.873 1.500 . 1 . . . . . 113 CYS CA . 27579 1 1254 . 1 1 113 113 CYS CB C 13 29.373 1.500 . 1 . . . . . 113 CYS CB . 27579 1 1255 . 1 1 113 113 CYS N N 15 123.245 1.500 . 1 . . . . . 113 CYS N . 27579 1 1256 . 1 1 114 114 SER H H 1 8.882 0.100 . 1 . . . . . 114 SER H . 27579 1 1257 . 1 1 114 114 SER HA H 1 4.088 0.100 . 1 . . . . . 114 SER HA . 27579 1 1258 . 1 1 114 114 SER HB2 H 1 4.038 0.100 . 2 . . . . . 114 SER QB . 27579 1 1259 . 1 1 114 114 SER HB3 H 1 4.038 0.100 . 2 . . . . . 114 SER QB . 27579 1 1260 . 1 1 114 114 SER CA C 13 62.342 1.500 . 1 . . . . . 114 SER CA . 27579 1 1261 . 1 1 114 114 SER CB C 13 62.581 1.500 . 1 . . . . . 114 SER CB . 27579 1 1262 . 1 1 114 114 SER N N 15 127.502 1.500 . 1 . . . . . 114 SER N . 27579 1 1263 . 1 1 115 115 SER H H 1 9.828 0.100 . 1 . . . . . 115 SER H . 27579 1 1264 . 1 1 115 115 SER HA H 1 4.232 0.100 . 1 . . . . . 115 SER HA . 27579 1 1265 . 1 1 115 115 SER HB2 H 1 3.967 0.100 . 2 . . . . . 115 SER QB . 27579 1 1266 . 1 1 115 115 SER HB3 H 1 3.967 0.100 . 2 . . . . . 115 SER QB . 27579 1 1267 . 1 1 115 115 SER CA C 13 61.508 1.500 . 1 . . . . . 115 SER CA . 27579 1 1268 . 1 1 115 115 SER CB C 13 63.001 1.500 . 1 . . . . . 115 SER CB . 27579 1 1269 . 1 1 115 115 SER N N 15 123.473 1.500 . 1 . . . . . 115 SER N . 27579 1 1270 . 1 1 116 116 ALA H H 1 8.566 0.100 . 1 . . . . . 116 ALA H . 27579 1 1271 . 1 1 116 116 ALA HA H 1 3.790 0.100 . 1 . . . . . 116 ALA HA . 27579 1 1272 . 1 1 116 116 ALA HB1 H 1 1.725 0.100 . 1 . . . . . 116 ALA QB . 27579 1 1273 . 1 1 116 116 ALA HB2 H 1 1.725 0.100 . 1 . . . . . 116 ALA QB . 27579 1 1274 . 1 1 116 116 ALA HB3 H 1 1.725 0.100 . 1 . . . . . 116 ALA QB . 27579 1 1275 . 1 1 116 116 ALA CA C 13 56.573 1.500 . 1 . . . . . 116 ALA CA . 27579 1 1276 . 1 1 116 116 ALA CB C 13 20.234 1.500 . 1 . . . . . 116 ALA CB . 27579 1 1277 . 1 1 116 116 ALA N N 15 132.326 1.500 . 1 . . . . . 116 ALA N . 27579 1 1278 . 1 1 117 117 LYS H H 1 7.039 0.100 . 1 . . . . . 117 LYS H . 27579 1 1279 . 1 1 117 117 LYS HA H 1 3.963 0.100 . 1 . . . . . 117 LYS HA . 27579 1 1280 . 1 1 117 117 LYS HB2 H 1 1.727 0.100 . 2 . . . . . 117 LYS HB2 . 27579 1 1281 . 1 1 117 117 LYS HB3 H 1 1.650 0.100 . 2 . . . . . 117 LYS HB3 . 27579 1 1282 . 1 1 117 117 LYS HG2 H 1 1.165 0.100 . 2 . . . . . 117 LYS HG2 . 27579 1 1283 . 1 1 117 117 LYS HG3 H 1 1.217 0.100 . 2 . . . . . 117 LYS HG3 . 27579 1 1284 . 1 1 117 117 LYS HD2 H 1 1.418 0.100 . 1 . . . . . 117 LYS QD . 27579 1 1285 . 1 1 117 117 LYS HD3 H 1 1.418 0.100 . 1 . . . . . 117 LYS QD . 27579 1 1286 . 1 1 117 117 LYS HE2 H 1 2.449 0.100 . 2 . . . . . 117 LYS HE2 . 27579 1 1287 . 1 1 117 117 LYS HE3 H 1 2.638 0.100 . 2 . . . . . 117 LYS HE3 . 27579 1 1288 . 1 1 117 117 LYS CA C 13 57.713 1.500 . 1 . . . . . 117 LYS CA . 27579 1 1289 . 1 1 117 117 LYS CB C 13 31.685 1.500 . 1 . . . . . 117 LYS CB . 27579 1 1290 . 1 1 117 117 LYS CG C 13 24.590 1.500 . 1 . . . . . 117 LYS CG . 27579 1 1291 . 1 1 117 117 LYS CD C 13 28.550 1.500 . 1 . . . . . 117 LYS CD . 27579 1 1292 . 1 1 117 117 LYS CE C 13 41.872 1.500 . 1 . . . . . 117 LYS CE . 27579 1 1293 . 1 1 117 117 LYS N N 15 113.853 1.500 . 1 . . . . . 117 LYS N . 27579 1 1294 . 1 1 118 118 ALA H H 1 7.733 0.100 . 1 . . . . . 118 ALA H . 27579 1 1295 . 1 1 118 118 ALA HA H 1 4.702 0.100 . 1 . . . . . 118 ALA HA . 27579 1 1296 . 1 1 118 118 ALA HB1 H 1 1.463 0.100 . 1 . . . . . 118 ALA QB . 27579 1 1297 . 1 1 118 118 ALA HB2 H 1 1.463 0.100 . 1 . . . . . 118 ALA QB . 27579 1 1298 . 1 1 118 118 ALA HB3 H 1 1.463 0.100 . 1 . . . . . 118 ALA QB . 27579 1 1299 . 1 1 118 118 ALA CA C 13 50.798 1.500 . 1 . . . . . 118 ALA CA . 27579 1 1300 . 1 1 118 118 ALA CB C 13 18.449 1.500 . 1 . . . . . 118 ALA CB . 27579 1 1301 . 1 1 118 118 ALA N N 15 124.249 1.500 . 1 . . . . . 118 ALA N . 27579 1 1302 . 1 1 119 119 ARG H H 1 8.064 0.100 . 1 . . . . . 119 ARG H . 27579 1 1303 . 1 1 119 119 ARG HA H 1 3.686 0.100 . 1 . . . . . 119 ARG HA . 27579 1 1304 . 1 1 119 119 ARG HB2 H 1 2.018 0.100 . 1 . . . . . 119 ARG HB2 . 27579 1 1305 . 1 1 119 119 ARG HB3 H 1 2.142 0.100 . 1 . . . . . 119 ARG HB3 . 27579 1 1306 . 1 1 119 119 ARG HG2 H 1 1.507 0.100 . 2 . . . . . 119 ARG QG . 27579 1 1307 . 1 1 119 119 ARG HG3 H 1 1.507 0.100 . 2 . . . . . 119 ARG QG . 27579 1 1308 . 1 1 119 119 ARG HD2 H 1 3.144 0.100 . 2 . . . . . 119 ARG HD2 . 27579 1 1309 . 1 1 119 119 ARG HD3 H 1 3.188 0.100 . 2 . . . . . 119 ARG HD3 . 27579 1 1310 . 1 1 119 119 ARG CA C 13 57.746 1.500 . 1 . . . . . 119 ARG CA . 27579 1 1311 . 1 1 119 119 ARG CB C 13 26.862 1.500 . 1 . . . . . 119 ARG CB . 27579 1 1312 . 1 1 119 119 ARG CG C 13 27.443 1.500 . 1 . . . . . 119 ARG CG . 27579 1 1313 . 1 1 119 119 ARG CD C 13 43.653 1.500 . 1 . . . . . 119 ARG CD . 27579 1 1314 . 1 1 119 119 ARG N N 15 115.182 1.500 . 1 . . . . . 119 ARG N . 27579 1 1315 . 1 1 120 120 GLY H H 1 8.317 0.100 . 1 . . . . . 120 GLY H . 27579 1 1316 . 1 1 120 120 GLY HA2 H 1 4.429 0.100 . 2 . . . . . 120 GLY HA2 . 27579 1 1317 . 1 1 120 120 GLY HA3 H 1 3.784 0.100 . 2 . . . . . 120 GLY HA3 . 27579 1 1318 . 1 1 120 120 GLY CA C 13 44.649 1.500 . 1 . . . . . 120 GLY CA . 27579 1 1319 . 1 1 120 120 GLY N N 15 103.394 1.500 . 1 . . . . . 120 GLY N . 27579 1 1320 . 1 1 121 121 ASP H H 1 7.151 0.100 . 1 . . . . . 121 ASP H . 27579 1 1321 . 1 1 121 121 ASP HA H 1 4.764 0.100 . 1 . . . . . 121 ASP HA . 27579 1 1322 . 1 1 121 121 ASP HB2 H 1 2.825 0.100 . 2 . . . . . 121 ASP QB . 27579 1 1323 . 1 1 121 121 ASP HB3 H 1 2.825 0.100 . 2 . . . . . 121 ASP QB . 27579 1 1324 . 1 1 121 121 ASP CA C 13 55.964 1.500 . 1 . . . . . 121 ASP CA . 27579 1 1325 . 1 1 121 121 ASP CB C 13 42.098 1.500 . 1 . . . . . 121 ASP CB . 27579 1 1326 . 1 1 121 121 ASP N N 15 118.647 1.500 . 1 . . . . . 121 ASP N . 27579 1 1327 . 1 1 122 122 LEU H H 1 8.761 0.100 . 1 . . . . . 122 LEU H . 27579 1 1328 . 1 1 122 122 LEU HA H 1 4.462 0.100 . 1 . . . . . 122 LEU HA . 27579 1 1329 . 1 1 122 122 LEU HB2 H 1 1.916 0.100 . 2 . . . . . 122 LEU HB2 . 27579 1 1330 . 1 1 122 122 LEU HB3 H 1 1.435 0.100 . 2 . . . . . 122 LEU HB3 . 27579 1 1331 . 1 1 122 122 LEU HG H 1 1.697 0.100 . 1 . . . . . 122 LEU HG . 27579 1 1332 . 1 1 122 122 LEU HD11 H 1 0.132 0.100 . 1 . . . . . 122 LEU QD1 . 27579 1 1333 . 1 1 122 122 LEU HD12 H 1 0.132 0.100 . 1 . . . . . 122 LEU QD1 . 27579 1 1334 . 1 1 122 122 LEU HD13 H 1 0.132 0.100 . 1 . . . . . 122 LEU QD1 . 27579 1 1335 . 1 1 122 122 LEU HD21 H 1 0.625 0.100 . 1 . . . . . 122 LEU QD2 . 27579 1 1336 . 1 1 122 122 LEU HD22 H 1 0.625 0.100 . 1 . . . . . 122 LEU QD2 . 27579 1 1337 . 1 1 122 122 LEU HD23 H 1 0.625 0.100 . 1 . . . . . 122 LEU QD2 . 27579 1 1338 . 1 1 122 122 LEU CA C 13 54.386 1.500 . 1 . . . . . 122 LEU CA . 27579 1 1339 . 1 1 122 122 LEU CB C 13 44.159 1.500 . 1 . . . . . 122 LEU CB . 27579 1 1340 . 1 1 122 122 LEU CG C 13 26.237 1.500 . 1 . . . . . 122 LEU CG . 27579 1 1341 . 1 1 122 122 LEU CD1 C 13 26.289 1.500 . 1 . . . . . 122 LEU CD1 . 27579 1 1342 . 1 1 122 122 LEU CD2 C 13 22.500 1.500 . 1 . . . . . 122 LEU CD2 . 27579 1 1343 . 1 1 122 122 LEU N N 15 125.716 1.500 . 1 . . . . . 122 LEU N . 27579 1 1344 . 1 1 123 123 GLY H H 1 8.285 0.100 . 1 . . . . . 123 GLY H . 27579 1 1345 . 1 1 123 123 GLY HA2 H 1 4.250 0.100 . 2 . . . . . 123 GLY HA2 . 27579 1 1346 . 1 1 123 123 GLY HA3 H 1 3.591 0.100 . 2 . . . . . 123 GLY HA3 . 27579 1 1347 . 1 1 123 123 GLY CA C 13 44.647 1.500 . 1 . . . . . 123 GLY CA . 27579 1 1348 . 1 1 123 123 GLY N N 15 108.881 1.500 . 1 . . . . . 123 GLY N . 27579 1 1349 . 1 1 124 124 ALA H H 1 8.101 0.100 . 1 . . . . . 124 ALA H . 27579 1 1350 . 1 1 124 124 ALA HA H 1 5.274 0.100 . 1 . . . . . 124 ALA HA . 27579 1 1351 . 1 1 124 124 ALA HB1 H 1 1.124 0.100 . 1 . . . . . 124 ALA QB . 27579 1 1352 . 1 1 124 124 ALA HB2 H 1 1.124 0.100 . 1 . . . . . 124 ALA QB . 27579 1 1353 . 1 1 124 124 ALA HB3 H 1 1.124 0.100 . 1 . . . . . 124 ALA QB . 27579 1 1354 . 1 1 124 124 ALA CA C 13 50.373 1.500 . 1 . . . . . 124 ALA CA . 27579 1 1355 . 1 1 124 124 ALA CB C 13 20.298 1.500 . 1 . . . . . 124 ALA CB . 27579 1 1356 . 1 1 124 124 ALA N N 15 119.173 1.500 . 1 . . . . . 124 ALA N . 27579 1 1357 . 1 1 125 125 PHE H H 1 8.910 0.100 . 1 . . . . . 125 PHE H . 27579 1 1358 . 1 1 125 125 PHE HA H 1 5.058 0.100 . 1 . . . . . 125 PHE HA . 27579 1 1359 . 1 1 125 125 PHE HB2 H 1 3.151 0.100 . 2 . . . . . 125 PHE QB . 27579 1 1360 . 1 1 125 125 PHE HB3 H 1 3.151 0.100 . 2 . . . . . 125 PHE QB . 27579 1 1361 . 1 1 125 125 PHE HD1 H 1 7.216 0.100 . 3 . . . . . 125 PHE HD1 . 27579 1 1362 . 1 1 125 125 PHE HD2 H 1 7.216 0.100 . 3 . . . . . 125 PHE HD2 . 27579 1 1363 . 1 1 125 125 PHE HE1 H 1 7.307 0.100 . 3 . . . . . 125 PHE HE1 . 27579 1 1364 . 1 1 125 125 PHE HE2 H 1 7.307 0.100 . 3 . . . . . 125 PHE HE2 . 27579 1 1365 . 1 1 125 125 PHE HZ H 1 7.139 0.100 . 1 . . . . . 125 PHE HZ . 27579 1 1366 . 1 1 125 125 PHE CA C 13 56.137 1.500 . 1 . . . . . 125 PHE CA . 27579 1 1367 . 1 1 125 125 PHE CB C 13 40.970 1.500 . 1 . . . . . 125 PHE CB . 27579 1 1368 . 1 1 125 125 PHE CD1 C 13 134.060 1.500 . 3 . . . . . 125 PHE CD1 . 27579 1 1369 . 1 1 125 125 PHE CD2 C 13 134.060 1.500 . 3 . . . . . 125 PHE CD2 . 27579 1 1370 . 1 1 125 125 PHE CE1 C 13 129.748 1.500 . 3 . . . . . 125 PHE CE1 . 27579 1 1371 . 1 1 125 125 PHE CE2 C 13 129.748 1.500 . 3 . . . . . 125 PHE CE2 . 27579 1 1372 . 1 1 125 125 PHE CZ C 13 129.580 1.500 . 1 . . . . . 125 PHE CZ . 27579 1 1373 . 1 1 125 125 PHE N N 15 117.803 1.500 . 1 . . . . . 125 PHE N . 27579 1 1374 . 1 1 126 126 SER H H 1 8.459 0.100 . 1 . . . . . 126 SER H . 27579 1 1375 . 1 1 126 126 SER HA H 1 5.355 0.100 . 1 . . . . . 126 SER HA . 27579 1 1376 . 1 1 126 126 SER HB2 H 1 4.073 0.100 . 2 . . . . . 126 SER HB2 . 27579 1 1377 . 1 1 126 126 SER HB3 H 1 3.967 0.100 . 2 . . . . . 126 SER HB3 . 27579 1 1378 . 1 1 126 126 SER CA C 13 56.699 1.500 . 1 . . . . . 126 SER CA . 27579 1 1379 . 1 1 126 126 SER CB C 13 66.559 1.500 . 1 . . . . . 126 SER CB . 27579 1 1380 . 1 1 126 126 SER N N 15 113.855 1.500 . 1 . . . . . 126 SER N . 27579 1 1381 . 1 1 127 127 ARG H H 1 8.918 0.100 . 1 . . . . . 127 ARG H . 27579 1 1382 . 1 1 127 127 ARG HA H 1 3.934 0.100 . 1 . . . . . 127 ARG HA . 27579 1 1383 . 1 1 127 127 ARG HB2 H 1 1.596 0.100 . 2 . . . . . 127 ARG HB2 . 27579 1 1384 . 1 1 127 127 ARG HB3 H 1 1.514 0.100 . 2 . . . . . 127 ARG HB3 . 27579 1 1385 . 1 1 127 127 ARG HG2 H 1 0.596 0.100 . 1 . . . . . 127 ARG HG2 . 27579 1 1386 . 1 1 127 127 ARG HG3 H 1 1.033 0.100 . 1 . . . . . 127 ARG HG3 . 27579 1 1387 . 1 1 127 127 ARG HD2 H 1 2.713 0.100 . 1 . . . . . 127 ARG HD2 . 27579 1 1388 . 1 1 127 127 ARG HD3 H 1 2.668 0.100 . 1 . . . . . 127 ARG HD3 . 27579 1 1389 . 1 1 127 127 ARG CA C 13 58.824 1.500 . 1 . . . . . 127 ARG CA . 27579 1 1390 . 1 1 127 127 ARG CB C 13 29.986 1.500 . 1 . . . . . 127 ARG CB . 27579 1 1391 . 1 1 127 127 ARG CG C 13 29.076 1.500 . 1 . . . . . 127 ARG CG . 27579 1 1392 . 1 1 127 127 ARG CD C 13 43.437 1.500 . 1 . . . . . 127 ARG CD . 27579 1 1393 . 1 1 127 127 ARG N N 15 121.386 1.500 . 1 . . . . . 127 ARG N . 27579 1 1394 . 1 1 128 128 GLY H H 1 10.261 0.100 . 1 . . . . . 128 GLY H . 27579 1 1395 . 1 1 128 128 GLY HA2 H 1 4.349 0.100 . 2 . . . . . 128 GLY HA2 . 27579 1 1396 . 1 1 128 128 GLY HA3 H 1 3.779 0.100 . 2 . . . . . 128 GLY HA3 . 27579 1 1397 . 1 1 128 128 GLY CA C 13 45.317 1.500 . 1 . . . . . 128 GLY CA . 27579 1 1398 . 1 1 128 128 GLY N N 15 112.616 1.500 . 1 . . . . . 128 GLY N . 27579 1 1399 . 1 1 129 129 GLN H H 1 7.846 0.100 . 1 . . . . . 129 GLN H . 27579 1 1400 . 1 1 129 129 GLN HA H 1 4.416 0.100 . 1 . . . . . 129 GLN HA . 27579 1 1401 . 1 1 129 129 GLN HB2 H 1 2.286 0.100 . 2 . . . . . 129 GLN HB2 . 27579 1 1402 . 1 1 129 129 GLN HB3 H 1 2.108 0.100 . 2 . . . . . 129 GLN HB3 . 27579 1 1403 . 1 1 129 129 GLN HG2 H 1 2.370 0.100 . 2 . . . . . 129 GLN HG2 . 27579 1 1404 . 1 1 129 129 GLN HG3 H 1 2.292 0.100 . 2 . . . . . 129 GLN HG3 . 27579 1 1405 . 1 1 129 129 GLN HE21 H 1 6.988 0.100 . 2 . . . . . 129 GLN HE21 . 27579 1 1406 . 1 1 129 129 GLN HE22 H 1 7.548 0.100 . 2 . . . . . 129 GLN HE22 . 27579 1 1407 . 1 1 129 129 GLN CA C 13 57.940 1.500 . 1 . . . . . 129 GLN CA . 27579 1 1408 . 1 1 129 129 GLN CB C 13 31.945 1.500 . 1 . . . . . 129 GLN CB . 27579 1 1409 . 1 1 129 129 GLN CG C 13 34.990 1.500 . 1 . . . . . 129 GLN CG . 27579 1 1410 . 1 1 129 129 GLN N N 15 118.914 1.500 . 1 . . . . . 129 GLN N . 27579 1 1411 . 1 1 129 129 GLN NE2 N 15 112.178 1.500 . 1 . . . . . 129 GLN NE2 . 27579 1 1412 . 1 1 130 130 MET H H 1 9.097 0.100 . 1 . . . . . 130 MET H . 27579 1 1413 . 1 1 130 130 MET HA H 1 4.571 0.100 . 1 . . . . . 130 MET HA . 27579 1 1414 . 1 1 130 130 MET HB2 H 1 1.800 0.100 . 1 . . . . . 130 MET HB2 . 27579 1 1415 . 1 1 130 130 MET HB3 H 1 1.682 0.100 . 1 . . . . . 130 MET HB3 . 27579 1 1416 . 1 1 130 130 MET HG2 H 1 1.186 0.100 . 2 . . . . . 130 MET QG . 27579 1 1417 . 1 1 130 130 MET HG3 H 1 1.186 0.100 . 2 . . . . . 130 MET QG . 27579 1 1418 . 1 1 130 130 MET HE1 H 1 1.189 0.100 . 1 . . . . . 130 MET QE . 27579 1 1419 . 1 1 130 130 MET HE2 H 1 1.189 0.100 . 1 . . . . . 130 MET QE . 27579 1 1420 . 1 1 130 130 MET HE3 H 1 1.189 0.100 . 1 . . . . . 130 MET QE . 27579 1 1421 . 1 1 130 130 MET CA C 13 52.415 1.500 . 1 . . . . . 130 MET CA . 27579 1 1422 . 1 1 130 130 MET CB C 13 33.609 1.500 . 1 . . . . . 130 MET CB . 27579 1 1423 . 1 1 130 130 MET CG C 13 32.961 1.500 . 1 . . . . . 130 MET CG . 27579 1 1424 . 1 1 130 130 MET CE C 13 17.672 1.500 . 1 . . . . . 130 MET CE . 27579 1 1425 . 1 1 130 130 MET N N 15 118.192 1.500 . 1 . . . . . 130 MET N . 27579 1 1426 . 1 1 131 131 GLN H H 1 8.462 0.100 . 1 . . . . . 131 GLN H . 27579 1 1427 . 1 1 131 131 GLN HA H 1 4.196 0.100 . 1 . . . . . 131 GLN HA . 27579 1 1428 . 1 1 131 131 GLN HB2 H 1 2.294 0.100 . 1 . . . . . 131 GLN HB2 . 27579 1 1429 . 1 1 131 131 GLN HB3 H 1 1.928 0.100 . 1 . . . . . 131 GLN HB3 . 27579 1 1430 . 1 1 131 131 GLN HG2 H 1 2.532 0.100 . 2 . . . . . 131 GLN QG . 27579 1 1431 . 1 1 131 131 GLN HG3 H 1 2.532 0.100 . 2 . . . . . 131 GLN QG . 27579 1 1432 . 1 1 131 131 GLN HE21 H 1 7.034 0.100 . 2 . . . . . 131 GLN HE21 . 27579 1 1433 . 1 1 131 131 GLN HE22 H 1 7.547 0.100 . 2 . . . . . 131 GLN HE22 . 27579 1 1434 . 1 1 131 131 GLN CA C 13 57.081 1.500 . 1 . . . . . 131 GLN CA . 27579 1 1435 . 1 1 131 131 GLN CB C 13 30.158 1.500 . 1 . . . . . 131 GLN CB . 27579 1 1436 . 1 1 131 131 GLN CG C 13 35.061 1.500 . 1 . . . . . 131 GLN CG . 27579 1 1437 . 1 1 131 131 GLN N N 15 118.476 1.500 . 1 . . . . . 131 GLN N . 27579 1 1438 . 1 1 131 131 GLN NE2 N 15 111.920 1.500 . 1 . . . . . 131 GLN NE2 . 27579 1 1439 . 1 1 132 132 LYS H H 1 9.181 0.100 . 1 . . . . . 132 LYS H . 27579 1 1440 . 1 1 132 132 LYS HA H 1 4.193 0.100 . 1 . . . . . 132 LYS HA . 27579 1 1441 . 1 1 132 132 LYS HB2 H 1 1.934 0.100 . 2 . . . . . 132 LYS HB2 . 27579 1 1442 . 1 1 132 132 LYS HB3 H 1 2.063 0.100 . 2 . . . . . 132 LYS HB3 . 27579 1 1443 . 1 1 132 132 LYS HG2 H 1 1.469 0.100 . 2 . . . . . 132 LYS HG2 . 27579 1 1444 . 1 1 132 132 LYS HG3 H 1 1.514 0.100 . 2 . . . . . 132 LYS HG3 . 27579 1 1445 . 1 1 132 132 LYS HD2 H 1 1.623 0.100 . 1 . . . . . 132 LYS HD2 . 27579 1 1446 . 1 1 132 132 LYS HD3 H 1 1.771 0.100 . 1 . . . . . 132 LYS HD3 . 27579 1 1447 . 1 1 132 132 LYS HE2 H 1 3.053 0.100 . 2 . . . . . 132 LYS QE . 27579 1 1448 . 1 1 132 132 LYS HE3 H 1 3.053 0.100 . 2 . . . . . 132 LYS QE . 27579 1 1449 . 1 1 132 132 LYS CA C 13 61.230 1.500 . 1 . . . . . 132 LYS CA . 27579 1 1450 . 1 1 132 132 LYS CB C 13 30.146 1.500 . 1 . . . . . 132 LYS CB . 27579 1 1451 . 1 1 132 132 LYS CG C 13 24.616 1.500 . 1 . . . . . 132 LYS CG . 27579 1 1452 . 1 1 132 132 LYS CD C 13 28.457 1.500 . 1 . . . . . 132 LYS CD . 27579 1 1453 . 1 1 132 132 LYS CE C 13 42.328 1.500 . 1 . . . . . 132 LYS CE . 27579 1 1454 . 1 1 132 132 LYS N N 15 126.158 1.500 . 1 . . . . . 132 LYS N . 27579 1 1455 . 1 1 133 133 PRO HA H 1 4.535 0.100 . 1 . . . . . 133 PRO HA . 27579 1 1456 . 1 1 133 133 PRO HB2 H 1 2.562 0.100 . 2 . . . . . 133 PRO HB2 . 27579 1 1457 . 1 1 133 133 PRO HB3 H 1 1.778 0.100 . 2 . . . . . 133 PRO HB3 . 27579 1 1458 . 1 1 133 133 PRO HG2 H 1 2.253 0.100 . 2 . . . . . 133 PRO QG . 27579 1 1459 . 1 1 133 133 PRO HG3 H 1 2.253 0.100 . 2 . . . . . 133 PRO QG . 27579 1 1460 . 1 1 133 133 PRO HD2 H 1 3.640 0.100 . 1 . . . . . 133 PRO HD2 . 27579 1 1461 . 1 1 133 133 PRO HD3 H 1 3.933 0.100 . 1 . . . . . 133 PRO HD3 . 27579 1 1462 . 1 1 133 133 PRO CA C 13 65.869 1.500 . 1 . . . . . 133 PRO CA . 27579 1 1463 . 1 1 133 133 PRO CB C 13 31.339 1.500 . 1 . . . . . 133 PRO CB . 27579 1 1464 . 1 1 133 133 PRO CG C 13 29.144 1.500 . 1 . . . . . 133 PRO CG . 27579 1 1465 . 1 1 133 133 PRO CD C 13 49.879 1.500 . 1 . . . . . 133 PRO CD . 27579 1 1466 . 1 1 134 134 PHE H H 1 6.918 0.100 . 1 . . . . . 134 PHE H . 27579 1 1467 . 1 1 134 134 PHE HA H 1 3.636 0.100 . 1 . . . . . 134 PHE HA . 27579 1 1468 . 1 1 134 134 PHE HB2 H 1 3.366 0.100 . 2 . . . . . 134 PHE HB2 . 27579 1 1469 . 1 1 134 134 PHE HB3 H 1 2.369 0.100 . 2 . . . . . 134 PHE HB3 . 27579 1 1470 . 1 1 134 134 PHE HD1 H 1 6.058 0.100 . 3 . . . . . 134 PHE HD1 . 27579 1 1471 . 1 1 134 134 PHE HD2 H 1 6.058 0.100 . 3 . . . . . 134 PHE HD2 . 27579 1 1472 . 1 1 134 134 PHE HE1 H 1 7.077 0.100 . 3 . . . . . 134 PHE HE1 . 27579 1 1473 . 1 1 134 134 PHE HE2 H 1 7.077 0.100 . 3 . . . . . 134 PHE HE2 . 27579 1 1474 . 1 1 134 134 PHE HZ H 1 6.639 0.100 . 1 . . . . . 134 PHE HZ . 27579 1 1475 . 1 1 134 134 PHE CA C 13 60.627 1.500 . 1 . . . . . 134 PHE CA . 27579 1 1476 . 1 1 134 134 PHE CB C 13 40.374 1.500 . 1 . . . . . 134 PHE CB . 27579 1 1477 . 1 1 134 134 PHE CD1 C 13 130.272 1.500 . 3 . . . . . 134 PHE CD1 . 27579 1 1478 . 1 1 134 134 PHE CD2 C 13 130.272 1.500 . 3 . . . . . 134 PHE CD2 . 27579 1 1479 . 1 1 134 134 PHE CE1 C 13 131.726 1.500 . 3 . . . . . 134 PHE CE1 . 27579 1 1480 . 1 1 134 134 PHE CE2 C 13 131.726 1.500 . 3 . . . . . 134 PHE CE2 . 27579 1 1481 . 1 1 134 134 PHE CZ C 13 129.336 1.500 . 1 . . . . . 134 PHE CZ . 27579 1 1482 . 1 1 134 134 PHE N N 15 116.105 1.500 . 1 . . . . . 134 PHE N . 27579 1 1483 . 1 1 135 135 GLU H H 1 8.759 0.100 . 1 . . . . . 135 GLU H . 27579 1 1484 . 1 1 135 135 GLU HA H 1 4.045 0.100 . 1 . . . . . 135 GLU HA . 27579 1 1485 . 1 1 135 135 GLU HB2 H 1 2.319 0.100 . 2 . . . . . 135 GLU QB . 27579 1 1486 . 1 1 135 135 GLU HB3 H 1 2.319 0.100 . 2 . . . . . 135 GLU QB . 27579 1 1487 . 1 1 135 135 GLU HG2 H 1 2.234 0.100 . 2 . . . . . 135 GLU HG2 . 27579 1 1488 . 1 1 135 135 GLU HG3 H 1 2.433 0.100 . 2 . . . . . 135 GLU HG3 . 27579 1 1489 . 1 1 135 135 GLU CA C 13 60.387 1.500 . 1 . . . . . 135 GLU CA . 27579 1 1490 . 1 1 135 135 GLU CB C 13 30.748 1.500 . 1 . . . . . 135 GLU CB . 27579 1 1491 . 1 1 135 135 GLU CG C 13 37.501 1.500 . 1 . . . . . 135 GLU CG . 27579 1 1492 . 1 1 135 135 GLU N N 15 123.165 1.500 . 1 . . . . . 135 GLU N . 27579 1 1493 . 1 1 136 136 ASP H H 1 9.158 0.100 . 1 . . . . . 136 ASP H . 27579 1 1494 . 1 1 136 136 ASP HA H 1 4.410 0.100 . 1 . . . . . 136 ASP HA . 27579 1 1495 . 1 1 136 136 ASP HB2 H 1 2.583 0.100 . 2 . . . . . 136 ASP QB . 27579 1 1496 . 1 1 136 136 ASP HB3 H 1 2.583 0.100 . 2 . . . . . 136 ASP QB . 27579 1 1497 . 1 1 136 136 ASP CA C 13 57.562 1.500 . 1 . . . . . 136 ASP CA . 27579 1 1498 . 1 1 136 136 ASP CB C 13 39.544 1.500 . 1 . . . . . 136 ASP CB . 27579 1 1499 . 1 1 136 136 ASP N N 15 118.698 1.500 . 1 . . . . . 136 ASP N . 27579 1 1500 . 1 1 137 137 ALA H H 1 7.098 0.100 . 1 . . . . . 137 ALA H . 27579 1 1501 . 1 1 137 137 ALA HA H 1 4.014 0.100 . 1 . . . . . 137 ALA HA . 27579 1 1502 . 1 1 137 137 ALA HB1 H 1 1.306 0.100 . 1 . . . . . 137 ALA QB . 27579 1 1503 . 1 1 137 137 ALA HB2 H 1 1.306 0.100 . 1 . . . . . 137 ALA QB . 27579 1 1504 . 1 1 137 137 ALA HB3 H 1 1.306 0.100 . 1 . . . . . 137 ALA QB . 27579 1 1505 . 1 1 137 137 ALA CA C 13 54.703 1.500 . 1 . . . . . 137 ALA CA . 27579 1 1506 . 1 1 137 137 ALA CB C 13 19.834 1.500 . 1 . . . . . 137 ALA CB . 27579 1 1507 . 1 1 137 137 ALA N N 15 118.668 1.500 . 1 . . . . . 137 ALA N . 27579 1 1508 . 1 1 138 138 SER H H 1 7.898 0.100 . 1 . . . . . 138 SER H . 27579 1 1509 . 1 1 138 138 SER HA H 1 4.050 0.100 . 1 . . . . . 138 SER HA . 27579 1 1510 . 1 1 138 138 SER HB2 H 1 3.802 0.100 . 2 . . . . . 138 SER HB2 . 27579 1 1511 . 1 1 138 138 SER HB3 H 1 3.524 0.100 . 2 . . . . . 138 SER HB3 . 27579 1 1512 . 1 1 138 138 SER CA C 13 63.436 1.500 . 1 . . . . . 138 SER CA . 27579 1 1513 . 1 1 138 138 SER CB C 13 63.445 1.500 . 1 . . . . . 138 SER CB . 27579 1 1514 . 1 1 138 138 SER N N 15 113.444 1.500 . 1 . . . . . 138 SER N . 27579 1 1515 . 1 1 139 139 PHE H H 1 8.145 0.100 . 1 . . . . . 139 PHE H . 27579 1 1516 . 1 1 139 139 PHE HA H 1 3.849 0.100 . 1 . . . . . 139 PHE HA . 27579 1 1517 . 1 1 139 139 PHE HB2 H 1 2.986 0.100 . 1 . . . . . 139 PHE HB2 . 27579 1 1518 . 1 1 139 139 PHE HB3 H 1 2.866 0.100 . 1 . . . . . 139 PHE HB3 . 27579 1 1519 . 1 1 139 139 PHE HD1 H 1 7.414 0.100 . 3 . . . . . 139 PHE HD1 . 27579 1 1520 . 1 1 139 139 PHE HD2 H 1 7.414 0.100 . 3 . . . . . 139 PHE HD2 . 27579 1 1521 . 1 1 139 139 PHE HE1 H 1 7.052 0.100 . 3 . . . . . 139 PHE HE1 . 27579 1 1522 . 1 1 139 139 PHE HE2 H 1 7.052 0.100 . 3 . . . . . 139 PHE HE2 . 27579 1 1523 . 1 1 139 139 PHE HZ H 1 7.114 0.100 . 1 . . . . . 139 PHE HZ . 27579 1 1524 . 1 1 139 139 PHE CA C 13 61.237 1.500 . 1 . . . . . 139 PHE CA . 27579 1 1525 . 1 1 139 139 PHE CB C 13 39.309 1.500 . 1 . . . . . 139 PHE CB . 27579 1 1526 . 1 1 139 139 PHE CD1 C 13 131.578 1.500 . 3 . . . . . 139 PHE CD1 . 27579 1 1527 . 1 1 139 139 PHE CD2 C 13 131.578 1.500 . 3 . . . . . 139 PHE CD2 . 27579 1 1528 . 1 1 139 139 PHE CE1 C 13 130.955 1.500 . 3 . . . . . 139 PHE CE1 . 27579 1 1529 . 1 1 139 139 PHE CE2 C 13 130.955 1.500 . 3 . . . . . 139 PHE CE2 . 27579 1 1530 . 1 1 139 139 PHE CZ C 13 129.511 1.500 . 1 . . . . . 139 PHE CZ . 27579 1 1531 . 1 1 139 139 PHE N N 15 114.448 1.500 . 1 . . . . . 139 PHE N . 27579 1 1532 . 1 1 140 140 ALA H H 1 7.054 0.100 . 1 . . . . . 140 ALA H . 27579 1 1533 . 1 1 140 140 ALA HA H 1 4.399 0.100 . 1 . . . . . 140 ALA HA . 27579 1 1534 . 1 1 140 140 ALA HB1 H 1 1.410 0.100 . 1 . . . . . 140 ALA QB . 27579 1 1535 . 1 1 140 140 ALA HB2 H 1 1.410 0.100 . 1 . . . . . 140 ALA QB . 27579 1 1536 . 1 1 140 140 ALA HB3 H 1 1.410 0.100 . 1 . . . . . 140 ALA QB . 27579 1 1537 . 1 1 140 140 ALA CA C 13 52.134 1.500 . 1 . . . . . 140 ALA CA . 27579 1 1538 . 1 1 140 140 ALA CB C 13 19.820 1.500 . 1 . . . . . 140 ALA CB . 27579 1 1539 . 1 1 140 140 ALA N N 15 119.432 1.500 . 1 . . . . . 140 ALA N . 27579 1 1540 . 1 1 141 141 LEU H H 1 6.952 0.100 . 1 . . . . . 141 LEU H . 27579 1 1541 . 1 1 141 141 LEU HA H 1 4.214 0.100 . 1 . . . . . 141 LEU HA . 27579 1 1542 . 1 1 141 141 LEU HB2 H 1 1.725 0.100 . 2 . . . . . 141 LEU HB2 . 27579 1 1543 . 1 1 141 141 LEU HB3 H 1 1.516 0.100 . 2 . . . . . 141 LEU HB3 . 27579 1 1544 . 1 1 141 141 LEU HG H 1 2.050 0.100 . 1 . . . . . 141 LEU HG . 27579 1 1545 . 1 1 141 141 LEU HD11 H 1 0.768 0.100 . 1 . . . . . 141 LEU QD1 . 27579 1 1546 . 1 1 141 141 LEU HD12 H 1 0.768 0.100 . 1 . . . . . 141 LEU QD1 . 27579 1 1547 . 1 1 141 141 LEU HD13 H 1 0.768 0.100 . 1 . . . . . 141 LEU QD1 . 27579 1 1548 . 1 1 141 141 LEU HD21 H 1 0.535 0.100 . 1 . . . . . 141 LEU QD2 . 27579 1 1549 . 1 1 141 141 LEU HD22 H 1 0.535 0.100 . 1 . . . . . 141 LEU QD2 . 27579 1 1550 . 1 1 141 141 LEU HD23 H 1 0.535 0.100 . 1 . . . . . 141 LEU QD2 . 27579 1 1551 . 1 1 141 141 LEU CA C 13 54.761 1.500 . 1 . . . . . 141 LEU CA . 27579 1 1552 . 1 1 141 141 LEU CB C 13 43.105 1.500 . 1 . . . . . 141 LEU CB . 27579 1 1553 . 1 1 141 141 LEU CG C 13 25.617 1.500 . 1 . . . . . 141 LEU CG . 27579 1 1554 . 1 1 141 141 LEU CD1 C 13 26.263 1.500 . 1 . . . . . 141 LEU CD1 . 27579 1 1555 . 1 1 141 141 LEU CD2 C 13 22.375 1.500 . 1 . . . . . 141 LEU CD2 . 27579 1 1556 . 1 1 141 141 LEU N N 15 120.783 1.500 . 1 . . . . . 141 LEU N . 27579 1 1557 . 1 1 142 142 ARG H H 1 8.919 0.100 . 1 . . . . . 142 ARG H . 27579 1 1558 . 1 1 142 142 ARG HA H 1 4.357 0.100 . 1 . . . . . 142 ARG HA . 27579 1 1559 . 1 1 142 142 ARG HB2 H 1 1.863 0.100 . 2 . . . . . 142 ARG HB2 . 27579 1 1560 . 1 1 142 142 ARG HB3 H 1 1.560 0.100 . 2 . . . . . 142 ARG HB3 . 27579 1 1561 . 1 1 142 142 ARG HG2 H 1 1.721 0.100 . 2 . . . . . 142 ARG QG . 27579 1 1562 . 1 1 142 142 ARG HG3 H 1 1.721 0.100 . 2 . . . . . 142 ARG QG . 27579 1 1563 . 1 1 142 142 ARG HD2 H 1 3.185 0.100 . 2 . . . . . 142 ARG QD . 27579 1 1564 . 1 1 142 142 ARG HD3 H 1 3.185 0.100 . 2 . . . . . 142 ARG QD . 27579 1 1565 . 1 1 142 142 ARG CA C 13 55.184 1.500 . 1 . . . . . 142 ARG CA . 27579 1 1566 . 1 1 142 142 ARG CB C 13 30.906 1.500 . 1 . . . . . 142 ARG CB . 27579 1 1567 . 1 1 142 142 ARG CG C 13 27.962 1.500 . 1 . . . . . 142 ARG CG . 27579 1 1568 . 1 1 142 142 ARG CD C 13 43.209 1.500 . 1 . . . . . 142 ARG CD . 27579 1 1569 . 1 1 142 142 ARG N N 15 122.051 1.500 . 1 . . . . . 142 ARG N . 27579 1 1570 . 1 1 143 143 THR H H 1 8.491 0.100 . 1 . . . . . 143 THR H . 27579 1 1571 . 1 1 143 143 THR HA H 1 3.205 0.100 . 1 . . . . . 143 THR HA . 27579 1 1572 . 1 1 143 143 THR HB H 1 3.858 0.100 . 1 . . . . . 143 THR HB . 27579 1 1573 . 1 1 143 143 THR HG21 H 1 0.977 0.100 . 1 . . . . . 143 THR QG2 . 27579 1 1574 . 1 1 143 143 THR HG22 H 1 0.977 0.100 . 1 . . . . . 143 THR QG2 . 27579 1 1575 . 1 1 143 143 THR HG23 H 1 0.977 0.100 . 1 . . . . . 143 THR QG2 . 27579 1 1576 . 1 1 143 143 THR CA C 13 66.359 1.500 . 1 . . . . . 143 THR CA . 27579 1 1577 . 1 1 143 143 THR CB C 13 67.564 1.500 . 1 . . . . . 143 THR CB . 27579 1 1578 . 1 1 143 143 THR CG2 C 13 22.843 1.500 . 1 . . . . . 143 THR CG2 . 27579 1 1579 . 1 1 143 143 THR N N 15 116.864 1.500 . 1 . . . . . 143 THR N . 27579 1 1580 . 1 1 144 144 GLY H H 1 8.933 0.100 . 1 . . . . . 144 GLY H . 27579 1 1581 . 1 1 144 144 GLY HA2 H 1 3.632 0.100 . 2 . . . . . 144 GLY HA2 . 27579 1 1582 . 1 1 144 144 GLY HA3 H 1 4.209 0.100 . 2 . . . . . 144 GLY HA3 . 27579 1 1583 . 1 1 144 144 GLY CA C 13 45.121 1.500 . 1 . . . . . 144 GLY CA . 27579 1 1584 . 1 1 144 144 GLY N N 15 115.601 1.500 . 1 . . . . . 144 GLY N . 27579 1 1585 . 1 1 145 145 GLU H H 1 8.182 0.100 . 1 . . . . . 145 GLU H . 27579 1 1586 . 1 1 145 145 GLU HA H 1 4.348 0.100 . 1 . . . . . 145 GLU HA . 27579 1 1587 . 1 1 145 145 GLU HB2 H 1 2.239 0.100 . 1 . . . . . 145 GLU HB2 . 27579 1 1588 . 1 1 145 145 GLU HB3 H 1 1.934 0.100 . 1 . . . . . 145 GLU HB3 . 27579 1 1589 . 1 1 145 145 GLU HG2 H 1 2.263 0.100 . 2 . . . . . 145 GLU QG . 27579 1 1590 . 1 1 145 145 GLU HG3 H 1 2.263 0.100 . 2 . . . . . 145 GLU QG . 27579 1 1591 . 1 1 145 145 GLU CA C 13 55.600 1.500 . 1 . . . . . 145 GLU CA . 27579 1 1592 . 1 1 145 145 GLU CB C 13 32.380 1.500 . 1 . . . . . 145 GLU CB . 27579 1 1593 . 1 1 145 145 GLU CG C 13 36.892 1.500 . 1 . . . . . 145 GLU CG . 27579 1 1594 . 1 1 145 145 GLU N N 15 121.998 1.500 . 1 . . . . . 145 GLU N . 27579 1 1595 . 1 1 146 146 MET H H 1 8.215 0.100 . 1 . . . . . 146 MET H . 27579 1 1596 . 1 1 146 146 MET HA H 1 5.658 0.100 . 1 . . . . . 146 MET HA . 27579 1 1597 . 1 1 146 146 MET HB2 H 1 2.166 0.100 . 2 . . . . . 146 MET HB2 . 27579 1 1598 . 1 1 146 146 MET HB3 H 1 1.790 0.100 . 2 . . . . . 146 MET HB3 . 27579 1 1599 . 1 1 146 146 MET HG2 H 1 2.323 0.100 . 1 . . . . . 146 MET HG2 . 27579 1 1600 . 1 1 146 146 MET HG3 H 1 3.066 0.100 . 1 . . . . . 146 MET HG3 . 27579 1 1601 . 1 1 146 146 MET HE1 H 1 2.225 0.100 . 1 . . . . . 146 MET QE . 27579 1 1602 . 1 1 146 146 MET HE2 H 1 2.225 0.100 . 1 . . . . . 146 MET QE . 27579 1 1603 . 1 1 146 146 MET HE3 H 1 2.225 0.100 . 1 . . . . . 146 MET QE . 27579 1 1604 . 1 1 146 146 MET CA C 13 52.985 1.500 . 1 . . . . . 146 MET CA . 27579 1 1605 . 1 1 146 146 MET CB C 13 37.716 1.500 . 1 . . . . . 146 MET CB . 27579 1 1606 . 1 1 146 146 MET CG C 13 31.674 1.500 . 1 . . . . . 146 MET CG . 27579 1 1607 . 1 1 146 146 MET CE C 13 17.111 1.500 . 1 . . . . . 146 MET CE . 27579 1 1608 . 1 1 146 146 MET N N 15 122.855 1.500 . 1 . . . . . 146 MET N . 27579 1 1609 . 1 1 147 147 SER H H 1 9.681 0.100 . 1 . . . . . 147 SER H . 27579 1 1610 . 1 1 147 147 SER HA H 1 4.317 0.100 . 1 . . . . . 147 SER HA . 27579 1 1611 . 1 1 147 147 SER HB2 H 1 3.680 0.100 . 2 . . . . . 147 SER QB . 27579 1 1612 . 1 1 147 147 SER HB3 H 1 3.680 0.100 . 2 . . . . . 147 SER QB . 27579 1 1613 . 1 1 147 147 SER CA C 13 59.243 1.500 . 1 . . . . . 147 SER CA . 27579 1 1614 . 1 1 147 147 SER CB C 13 65.098 1.500 . 1 . . . . . 147 SER CB . 27579 1 1615 . 1 1 147 147 SER N N 15 123.208 1.500 . 1 . . . . . 147 SER N . 27579 1 1616 . 1 1 148 148 GLY H H 1 7.735 0.100 . 1 . . . . . 148 GLY H . 27579 1 1617 . 1 1 148 148 GLY HA2 H 1 3.885 0.100 . 2 . . . . . 148 GLY HA2 . 27579 1 1618 . 1 1 148 148 GLY HA3 H 1 4.472 0.100 . 2 . . . . . 148 GLY HA3 . 27579 1 1619 . 1 1 148 148 GLY CA C 13 44.506 1.500 . 1 . . . . . 148 GLY CA . 27579 1 1620 . 1 1 148 148 GLY N N 15 103.223 1.500 . 1 . . . . . 148 GLY N . 27579 1 1621 . 1 1 149 149 PRO HA H 1 4.327 0.100 . 1 . . . . . 149 PRO HA . 27579 1 1622 . 1 1 149 149 PRO HB2 H 1 1.741 0.100 . 1 . . . . . 149 PRO HB2 . 27579 1 1623 . 1 1 149 149 PRO HB3 H 1 1.655 0.100 . 1 . . . . . 149 PRO HB3 . 27579 1 1624 . 1 1 149 149 PRO HG2 H 1 2.268 0.100 . 1 . . . . . 149 PRO HG2 . 27579 1 1625 . 1 1 149 149 PRO HG3 H 1 1.782 0.100 . 1 . . . . . 149 PRO HG3 . 27579 1 1626 . 1 1 149 149 PRO HD2 H 1 3.542 0.100 . 2 . . . . . 149 PRO HD2 . 27579 1 1627 . 1 1 149 149 PRO HD3 H 1 3.606 0.100 . 2 . . . . . 149 PRO HD3 . 27579 1 1628 . 1 1 149 149 PRO CA C 13 63.746 1.500 . 1 . . . . . 149 PRO CA . 27579 1 1629 . 1 1 149 149 PRO CB C 13 31.534 1.500 . 1 . . . . . 149 PRO CB . 27579 1 1630 . 1 1 149 149 PRO CG C 13 28.109 1.500 . 1 . . . . . 149 PRO CG . 27579 1 1631 . 1 1 149 149 PRO CD C 13 49.111 1.500 . 1 . . . . . 149 PRO CD . 27579 1 1632 . 1 1 150 150 VAL H H 1 9.208 0.100 . 1 . . . . . 150 VAL H . 27579 1 1633 . 1 1 150 150 VAL HA H 1 4.327 0.100 . 1 . . . . . 150 VAL HA . 27579 1 1634 . 1 1 150 150 VAL HB H 1 1.748 0.100 . 1 . . . . . 150 VAL HB . 27579 1 1635 . 1 1 150 150 VAL HG11 H 1 0.689 0.100 . 1 . . . . . 150 VAL QG1 . 27579 1 1636 . 1 1 150 150 VAL HG12 H 1 0.689 0.100 . 1 . . . . . 150 VAL QG1 . 27579 1 1637 . 1 1 150 150 VAL HG13 H 1 0.689 0.100 . 1 . . . . . 150 VAL QG1 . 27579 1 1638 . 1 1 150 150 VAL HG21 H 1 0.903 0.100 . 1 . . . . . 150 VAL QG2 . 27579 1 1639 . 1 1 150 150 VAL HG22 H 1 0.903 0.100 . 1 . . . . . 150 VAL QG2 . 27579 1 1640 . 1 1 150 150 VAL HG23 H 1 0.903 0.100 . 1 . . . . . 150 VAL QG2 . 27579 1 1641 . 1 1 150 150 VAL CA C 13 61.695 1.500 . 1 . . . . . 150 VAL CA . 27579 1 1642 . 1 1 150 150 VAL CB C 13 35.230 1.500 . 1 . . . . . 150 VAL CB . 27579 1 1643 . 1 1 150 150 VAL CG1 C 13 20.590 1.500 . 1 . . . . . 150 VAL CG1 . 27579 1 1644 . 1 1 150 150 VAL CG2 C 13 21.221 1.500 . 1 . . . . . 150 VAL CG2 . 27579 1 1645 . 1 1 150 150 VAL N N 15 127.292 1.500 . 1 . . . . . 150 VAL N . 27579 1 1646 . 1 1 151 151 PHE H H 1 9.121 0.100 . 1 . . . . . 151 PHE H . 27579 1 1647 . 1 1 151 151 PHE HA H 1 5.078 0.100 . 1 . . . . . 151 PHE HA . 27579 1 1648 . 1 1 151 151 PHE HB2 H 1 3.099 0.100 . 2 . . . . . 151 PHE QB . 27579 1 1649 . 1 1 151 151 PHE HB3 H 1 3.099 0.100 . 2 . . . . . 151 PHE QB . 27579 1 1650 . 1 1 151 151 PHE HD1 H 1 7.425 0.100 . 3 . . . . . 151 PHE HD1 . 27579 1 1651 . 1 1 151 151 PHE HD2 H 1 7.425 0.100 . 3 . . . . . 151 PHE HD2 . 27579 1 1652 . 1 1 151 151 PHE HE1 H 1 7.221 0.100 . 3 . . . . . 151 PHE HE1 . 27579 1 1653 . 1 1 151 151 PHE HE2 H 1 7.221 0.100 . 3 . . . . . 151 PHE HE2 . 27579 1 1654 . 1 1 151 151 PHE HZ H 1 7.327 0.100 . 1 . . . . . 151 PHE HZ . 27579 1 1655 . 1 1 151 151 PHE CA C 13 58.006 1.500 . 1 . . . . . 151 PHE CA . 27579 1 1656 . 1 1 151 151 PHE CB C 13 39.849 1.500 . 1 . . . . . 151 PHE CB . 27579 1 1657 . 1 1 151 151 PHE CD1 C 13 132.451 1.500 . 3 . . . . . 151 PHE CD1 . 27579 1 1658 . 1 1 151 151 PHE CD2 C 13 132.451 1.500 . 3 . . . . . 151 PHE CD2 . 27579 1 1659 . 1 1 151 151 PHE CE1 C 13 130.974 1.500 . 3 . . . . . 151 PHE CE1 . 27579 1 1660 . 1 1 151 151 PHE CE2 C 13 130.974 1.500 . 3 . . . . . 151 PHE CE2 . 27579 1 1661 . 1 1 151 151 PHE CZ C 13 131.301 1.500 . 1 . . . . . 151 PHE CZ . 27579 1 1662 . 1 1 151 151 PHE N N 15 128.028 1.500 . 1 . . . . . 151 PHE N . 27579 1 1663 . 1 1 152 152 THR H H 1 9.062 0.100 . 1 . . . . . 152 THR H . 27579 1 1664 . 1 1 152 152 THR HA H 1 4.972 0.100 . 1 . . . . . 152 THR HA . 27579 1 1665 . 1 1 152 152 THR HG21 H 1 1.218 0.100 . 1 . . . . . 152 THR QG2 . 27579 1 1666 . 1 1 152 152 THR HG22 H 1 1.218 0.100 . 1 . . . . . 152 THR QG2 . 27579 1 1667 . 1 1 152 152 THR HG23 H 1 1.218 0.100 . 1 . . . . . 152 THR QG2 . 27579 1 1668 . 1 1 152 152 THR CA C 13 60.612 1.500 . 1 . . . . . 152 THR CA . 27579 1 1669 . 1 1 152 152 THR CB C 13 72.433 1.500 . 1 . . . . . 152 THR CB . 27579 1 1670 . 1 1 152 152 THR CG2 C 13 21.390 1.500 . 1 . . . . . 152 THR CG2 . 27579 1 1671 . 1 1 152 152 THR N N 15 112.580 1.500 . 1 . . . . . 152 THR N . 27579 1 1672 . 1 1 153 153 ASP H H 1 8.988 0.100 . 1 . . . . . 153 ASP H . 27579 1 1673 . 1 1 153 153 ASP HA H 1 4.657 0.100 . 1 . . . . . 153 ASP HA . 27579 1 1674 . 1 1 153 153 ASP HB2 H 1 2.811 0.100 . 2 . . . . . 153 ASP QB . 27579 1 1675 . 1 1 153 153 ASP HB3 H 1 2.811 0.100 . 2 . . . . . 153 ASP QB . 27579 1 1676 . 1 1 153 153 ASP CA C 13 56.366 1.500 . 1 . . . . . 153 ASP CA . 27579 1 1677 . 1 1 153 153 ASP CB C 13 40.584 1.500 . 1 . . . . . 153 ASP CB . 27579 1 1678 . 1 1 153 153 ASP N N 15 117.714 1.500 . 1 . . . . . 153 ASP N . 27579 1 1679 . 1 1 154 154 SER H H 1 9.077 0.100 . 1 . . . . . 154 SER H . 27579 1 1680 . 1 1 154 154 SER HA H 1 4.683 0.100 . 1 . . . . . 154 SER HA . 27579 1 1681 . 1 1 154 154 SER HB2 H 1 3.927 0.100 . 1 . . . . . 154 SER HB2 . 27579 1 1682 . 1 1 154 154 SER HB3 H 1 3.911 0.100 . 1 . . . . . 154 SER HB3 . 27579 1 1683 . 1 1 154 154 SER CA C 13 61.384 1.500 . 1 . . . . . 154 SER CA . 27579 1 1684 . 1 1 154 154 SER CB C 13 63.620 1.500 . 1 . . . . . 154 SER CB . 27579 1 1685 . 1 1 154 154 SER N N 15 114.795 1.500 . 1 . . . . . 154 SER N . 27579 1 1686 . 1 1 155 155 GLY H H 1 7.675 0.100 . 1 . . . . . 155 GLY H . 27579 1 1687 . 1 1 155 155 GLY HA2 H 1 3.950 0.100 . 1 . . . . . 155 GLY HA2 . 27579 1 1688 . 1 1 155 155 GLY HA3 H 1 3.464 0.100 . 1 . . . . . 155 GLY HA3 . 27579 1 1689 . 1 1 155 155 GLY CA C 13 45.408 1.500 . 1 . . . . . 155 GLY CA . 27579 1 1690 . 1 1 155 155 GLY N N 15 110.331 1.500 . 1 . . . . . 155 GLY N . 27579 1 1691 . 1 1 156 156 ILE H H 1 8.302 0.100 . 1 . . . . . 156 ILE H . 27579 1 1692 . 1 1 156 156 ILE HA H 1 5.001 0.100 . 1 . . . . . 156 ILE HA . 27579 1 1693 . 1 1 156 156 ILE HB H 1 1.477 0.100 . 1 . . . . . 156 ILE HB . 27579 1 1694 . 1 1 156 156 ILE HG12 H 1 1.610 0.100 . 2 . . . . . 156 ILE HG12 . 27579 1 1695 . 1 1 156 156 ILE HG13 H 1 0.811 0.100 . 2 . . . . . 156 ILE HG13 . 27579 1 1696 . 1 1 156 156 ILE HG21 H 1 0.426 0.100 . 1 . . . . . 156 ILE QG2 . 27579 1 1697 . 1 1 156 156 ILE HG22 H 1 0.426 0.100 . 1 . . . . . 156 ILE QG2 . 27579 1 1698 . 1 1 156 156 ILE HG23 H 1 0.426 0.100 . 1 . . . . . 156 ILE QG2 . 27579 1 1699 . 1 1 156 156 ILE HD11 H 1 0.743 0.100 . 1 . . . . . 156 ILE QD1 . 27579 1 1700 . 1 1 156 156 ILE HD12 H 1 0.743 0.100 . 1 . . . . . 156 ILE QD1 . 27579 1 1701 . 1 1 156 156 ILE HD13 H 1 0.743 0.100 . 1 . . . . . 156 ILE QD1 . 27579 1 1702 . 1 1 156 156 ILE CA C 13 60.099 1.500 . 1 . . . . . 156 ILE CA . 27579 1 1703 . 1 1 156 156 ILE CB C 13 39.301 1.500 . 1 . . . . . 156 ILE CB . 27579 1 1704 . 1 1 156 156 ILE CG1 C 13 26.768 1.500 . 1 . . . . . 156 ILE CG1 . 27579 1 1705 . 1 1 156 156 ILE CG2 C 13 18.290 1.500 . 1 . . . . . 156 ILE CG2 . 27579 1 1706 . 1 1 156 156 ILE CD1 C 13 15.527 1.500 . 1 . . . . . 156 ILE CD1 . 27579 1 1707 . 1 1 156 156 ILE N N 15 123.238 1.500 . 1 . . . . . 156 ILE N . 27579 1 1708 . 1 1 157 157 HIS H H 1 9.911 0.100 . 1 . . . . . 157 HIS H . 27579 1 1709 . 1 1 157 157 HIS HA H 1 5.975 0.100 . 1 . . . . . 157 HIS HA . 27579 1 1710 . 1 1 157 157 HIS HB2 H 1 3.119 0.100 . 2 . . . . . 157 HIS HB2 . 27579 1 1711 . 1 1 157 157 HIS HB3 H 1 2.934 0.100 . 2 . . . . . 157 HIS HB3 . 27579 1 1712 . 1 1 157 157 HIS HD2 H 1 7.187 0.100 . 1 . . . . . 157 HIS HD2 . 27579 1 1713 . 1 1 157 157 HIS HE1 H 1 7.885 0.100 . 1 . . . . . 157 HIS HE1 . 27579 1 1714 . 1 1 157 157 HIS CA C 13 54.001 1.500 . 1 . . . . . 157 HIS CA . 27579 1 1715 . 1 1 157 157 HIS CB C 13 32.179 1.500 . 1 . . . . . 157 HIS CB . 27579 1 1716 . 1 1 157 157 HIS CD2 C 13 130.309 1.500 . 1 . . . . . 157 HIS CD2 . 27579 1 1717 . 1 1 157 157 HIS CE1 C 13 136.401 1.500 . 1 . . . . . 157 HIS CE1 . 27579 1 1718 . 1 1 157 157 HIS N N 15 124.534 1.500 . 1 . . . . . 157 HIS N . 27579 1 1719 . 1 1 158 158 ILE H H 1 8.562 0.100 . 1 . . . . . 158 ILE H . 27579 1 1720 . 1 1 158 158 ILE HA H 1 4.169 0.100 . 1 . . . . . 158 ILE HA . 27579 1 1721 . 1 1 158 158 ILE HB H 1 1.759 0.100 . 1 . . . . . 158 ILE HB . 27579 1 1722 . 1 1 158 158 ILE HG12 H 1 1.866 0.100 . 2 . . . . . 158 ILE HG12 . 27579 1 1723 . 1 1 158 158 ILE HG13 H 1 0.954 0.100 . 2 . . . . . 158 ILE HG13 . 27579 1 1724 . 1 1 158 158 ILE HG21 H 1 1.051 0.100 . 1 . . . . . 158 ILE QG2 . 27579 1 1725 . 1 1 158 158 ILE HG22 H 1 1.051 0.100 . 1 . . . . . 158 ILE QG2 . 27579 1 1726 . 1 1 158 158 ILE HG23 H 1 1.051 0.100 . 1 . . . . . 158 ILE QG2 . 27579 1 1727 . 1 1 158 158 ILE HD11 H 1 1.003 0.100 . 1 . . . . . 158 ILE QD1 . 27579 1 1728 . 1 1 158 158 ILE HD12 H 1 1.003 0.100 . 1 . . . . . 158 ILE QD1 . 27579 1 1729 . 1 1 158 158 ILE HD13 H 1 1.003 0.100 . 1 . . . . . 158 ILE QD1 . 27579 1 1730 . 1 1 158 158 ILE CA C 13 62.461 1.500 . 1 . . . . . 158 ILE CA . 27579 1 1731 . 1 1 158 158 ILE CB C 13 41.598 1.500 . 1 . . . . . 158 ILE CB . 27579 1 1732 . 1 1 158 158 ILE CG1 C 13 26.853 1.500 . 1 . . . . . 158 ILE CG1 . 27579 1 1733 . 1 1 158 158 ILE CG2 C 13 19.319 1.500 . 1 . . . . . 158 ILE CG2 . 27579 1 1734 . 1 1 158 158 ILE CD1 C 13 14.937 1.500 . 1 . . . . . 158 ILE CD1 . 27579 1 1735 . 1 1 158 158 ILE N N 15 116.077 1.500 . 1 . . . . . 158 ILE N . 27579 1 1736 . 1 1 159 159 ILE H H 1 8.863 0.100 . 1 . . . . . 159 ILE H . 27579 1 1737 . 1 1 159 159 ILE HA H 1 4.696 0.100 . 1 . . . . . 159 ILE HA . 27579 1 1738 . 1 1 159 159 ILE HB H 1 1.276 0.100 . 1 . . . . . 159 ILE HB . 27579 1 1739 . 1 1 159 159 ILE HG12 H 1 0.510 0.100 . 2 . . . . . 159 ILE HG12 . 27579 1 1740 . 1 1 159 159 ILE HG13 H 1 1.345 0.100 . 2 . . . . . 159 ILE HG13 . 27579 1 1741 . 1 1 159 159 ILE HG21 H 1 0.712 0.100 . 1 . . . . . 159 ILE QG2 . 27579 1 1742 . 1 1 159 159 ILE HG22 H 1 0.712 0.100 . 1 . . . . . 159 ILE QG2 . 27579 1 1743 . 1 1 159 159 ILE HG23 H 1 0.712 0.100 . 1 . . . . . 159 ILE QG2 . 27579 1 1744 . 1 1 159 159 ILE HD11 H 1 -0.083 0.100 . 1 . . . . . 159 ILE QD1 . 27579 1 1745 . 1 1 159 159 ILE HD12 H 1 -0.083 0.100 . 1 . . . . . 159 ILE QD1 . 27579 1 1746 . 1 1 159 159 ILE HD13 H 1 -0.083 0.100 . 1 . . . . . 159 ILE QD1 . 27579 1 1747 . 1 1 159 159 ILE CA C 13 61.090 1.500 . 1 . . . . . 159 ILE CA . 27579 1 1748 . 1 1 159 159 ILE CB C 13 41.827 1.500 . 1 . . . . . 159 ILE CB . 27579 1 1749 . 1 1 159 159 ILE CG1 C 13 27.621 1.500 . 1 . . . . . 159 ILE CG1 . 27579 1 1750 . 1 1 159 159 ILE CG2 C 13 17.876 1.500 . 1 . . . . . 159 ILE CG2 . 27579 1 1751 . 1 1 159 159 ILE CD1 C 13 14.873 1.500 . 1 . . . . . 159 ILE CD1 . 27579 1 1752 . 1 1 159 159 ILE N N 15 125.906 1.500 . 1 . . . . . 159 ILE N . 27579 1 1753 . 1 1 160 160 LEU H H 1 8.809 0.100 . 1 . . . . . 160 LEU H . 27579 1 1754 . 1 1 160 160 LEU HA H 1 4.831 0.100 . 1 . . . . . 160 LEU HA . 27579 1 1755 . 1 1 160 160 LEU HB2 H 1 0.786 0.100 . 1 . . . . . 160 LEU HB2 . 27579 1 1756 . 1 1 160 160 LEU HB3 H 1 -0.012 0.100 . 1 . . . . . 160 LEU HB3 . 27579 1 1757 . 1 1 160 160 LEU HG H 1 0.847 0.100 . 1 . . . . . 160 LEU HG . 27579 1 1758 . 1 1 160 160 LEU HD11 H 1 0.442 0.100 . 1 . . . . . 160 LEU QD1 . 27579 1 1759 . 1 1 160 160 LEU HD12 H 1 0.442 0.100 . 1 . . . . . 160 LEU QD1 . 27579 1 1760 . 1 1 160 160 LEU HD13 H 1 0.442 0.100 . 1 . . . . . 160 LEU QD1 . 27579 1 1761 . 1 1 160 160 LEU HD21 H 1 0.315 0.100 . 1 . . . . . 160 LEU QD2 . 27579 1 1762 . 1 1 160 160 LEU HD22 H 1 0.315 0.100 . 1 . . . . . 160 LEU QD2 . 27579 1 1763 . 1 1 160 160 LEU HD23 H 1 0.315 0.100 . 1 . . . . . 160 LEU QD2 . 27579 1 1764 . 1 1 160 160 LEU CA C 13 53.070 1.500 . 1 . . . . . 160 LEU CA . 27579 1 1765 . 1 1 160 160 LEU CB C 13 45.512 1.500 . 1 . . . . . 160 LEU CB . 27579 1 1766 . 1 1 160 160 LEU CG C 13 26.928 1.500 . 1 . . . . . 160 LEU CG . 27579 1 1767 . 1 1 160 160 LEU CD1 C 13 22.685 1.500 . 1 . . . . . 160 LEU CD1 . 27579 1 1768 . 1 1 160 160 LEU CD2 C 13 25.798 1.500 . 1 . . . . . 160 LEU CD2 . 27579 1 1769 . 1 1 160 160 LEU N N 15 128.794 1.500 . 1 . . . . . 160 LEU N . 27579 1 1770 . 1 1 161 161 ARG H H 1 8.087 0.100 . 1 . . . . . 161 ARG H . 27579 1 1771 . 1 1 161 161 ARG HA H 1 5.100 0.100 . 1 . . . . . 161 ARG HA . 27579 1 1772 . 1 1 161 161 ARG HB2 H 1 1.914 0.100 . 2 . . . . . 161 ARG HB2 . 27579 1 1773 . 1 1 161 161 ARG HB3 H 1 2.046 0.100 . 2 . . . . . 161 ARG HB3 . 27579 1 1774 . 1 1 161 161 ARG HG2 H 1 1.586 0.100 . 2 . . . . . 161 ARG HG2 . 27579 1 1775 . 1 1 161 161 ARG HG3 H 1 1.137 0.100 . 2 . . . . . 161 ARG HG3 . 27579 1 1776 . 1 1 161 161 ARG HD2 H 1 2.854 0.100 . 2 . . . . . 161 ARG HD2 . 27579 1 1777 . 1 1 161 161 ARG HD3 H 1 2.396 0.100 . 2 . . . . . 161 ARG HD3 . 27579 1 1778 . 1 1 161 161 ARG CA C 13 56.601 1.500 . 1 . . . . . 161 ARG CA . 27579 1 1779 . 1 1 161 161 ARG CB C 13 30.112 1.500 . 1 . . . . . 161 ARG CB . 27579 1 1780 . 1 1 161 161 ARG CD C 13 43.520 1.500 . 1 . . . . . 161 ARG CD . 27579 1 1781 . 1 1 161 161 ARG N N 15 127.443 1.500 . 1 . . . . . 161 ARG N . 27579 1 1782 . 1 1 162 162 THR H H 1 9.071 0.100 . 1 . . . . . 162 THR H . 27579 1 1783 . 1 1 162 162 THR HA H 1 4.377 0.100 . 1 . . . . . 162 THR HA . 27579 1 1784 . 1 1 162 162 THR HB H 1 4.166 0.100 . 1 . . . . . 162 THR HB . 27579 1 1785 . 1 1 162 162 THR HG21 H 1 1.005 0.100 . 1 . . . . . 162 THR QG2 . 27579 1 1786 . 1 1 162 162 THR HG22 H 1 1.005 0.100 . 1 . . . . . 162 THR QG2 . 27579 1 1787 . 1 1 162 162 THR HG23 H 1 1.005 0.100 . 1 . . . . . 162 THR QG2 . 27579 1 1788 . 1 1 162 162 THR CA C 13 62.140 1.500 . 1 . . . . . 162 THR CA . 27579 1 1789 . 1 1 162 162 THR CB C 13 69.478 1.500 . 1 . . . . . 162 THR CB . 27579 1 1790 . 1 1 162 162 THR CG2 C 13 21.857 1.500 . 1 . . . . . 162 THR CG2 . 27579 1 1791 . 1 1 162 162 THR N N 15 120.963 1.500 . 1 . . . . . 162 THR N . 27579 1 1792 . 1 1 163 163 GLU H H 1 7.964 0.100 . 1 . . . . . 163 GLU H . 27579 1 1793 . 1 1 163 163 GLU HA H 1 4.083 0.100 . 1 . . . . . 163 GLU HA . 27579 1 1794 . 1 1 163 163 GLU HB2 H 1 1.730 0.100 . 2 . . . . . 163 GLU HB2 . 27579 1 1795 . 1 1 163 163 GLU HB3 H 1 1.934 0.100 . 2 . . . . . 163 GLU HB3 . 27579 1 1796 . 1 1 163 163 GLU HG2 H 1 2.138 0.100 . 2 . . . . . 163 GLU HG2 . 27579 1 1797 . 1 1 163 163 GLU HG3 H 1 2.342 0.100 . 2 . . . . . 163 GLU HG3 . 27579 1 1798 . 1 1 163 163 GLU CA C 13 58.312 1.500 . 1 . . . . . 163 GLU CA . 27579 1 1799 . 1 1 163 163 GLU CB C 13 33.528 1.500 . 1 . . . . . 163 GLU CB . 27579 1 1800 . 1 1 163 163 GLU CG C 13 36.800 1.500 . 1 . . . . . 163 GLU CG . 27579 1 1801 . 1 1 163 163 GLU N N 15 126.204 1.500 . 1 . . . . . 163 GLU N . 27579 1 stop_ save_