data_18624 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18624 _Entry.Title ; Structure of N-terminal domain of a plant Grx ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-28 _Entry.Accession_date 2012-07-28 _Entry.Last_release_date 2013-05-20 _Entry.Original_release_date 2013-05-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yingang Feng . . . 18624 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18624 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Nuclease . 18624 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18624 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 18624 '15N chemical shifts' 111 18624 '1H chemical shifts' 772 18624 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-05-20 2012-07-28 original author . 18624 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LWF 'BMRB Entry Tracking System' 18624 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18624 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of N-terminal domain of a plant glutaredoxin' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xi Liu . . . 18624 1 2 Shi-an Liu . . . 18624 1 3 Yingang Feng . . . 18624 1 4 Jian-zhong Liu . . . 18624 1 5 Cheryl Avery . . . 18624 1 6 Haiteng Deng . . . 18624 1 7 Kendal Hirschi . D. . 18624 1 8 Xinquan Wang . . . 18624 1 9 Ninghui Cheng . . . 18624 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18624 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of a plant Grx' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'N-terminal domain of a plant Grx' 1 $Nterm_Grx A . yes native no no . . . 18624 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nterm_Grx _Entity.Sf_category entity _Entity.Sf_framecode Nterm_Grx _Entity.Entry_ID 18624 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal domain of a plant Grx' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASAVKSLTETELLPITEAD SIPSASGVYAVYDKSDELQF VGISRNIAASVSAHLKSVPE LCGSVKVGIVEEPDKAVLTQ AWKLWIEEHIKVTGKVPPGN KSGNNTFVKVTLEHHHHHH ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12907.769 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LWF . "Structure Of N-terminal Domain Of A Plant Grx" . . . . . 100.00 119 100.00 100.00 4.85e-79 . . . . 18624 1 2 no DBJ BAC42106 . "unknown protein [Arabidopsis thaliana]" . . . . . 93.28 293 98.20 99.10 1.15e-68 . . . . 18624 1 3 no GB AAC27175 . "expressed protein [Arabidopsis thaliana]" . . . . . 93.28 293 98.20 99.10 1.15e-68 . . . . 18624 1 4 no GB AAM64346 . "unknown [Arabidopsis thaliana]" . . . . . 93.28 293 98.20 99.10 1.02e-68 . . . . 18624 1 5 no GB AAN60257 . "unknown [Arabidopsis thaliana]" . . . . . 93.28 293 98.20 99.10 1.31e-68 . . . . 18624 1 6 no GB AAO19648 . "CAXIP1-like protein [Arabidopsis thaliana]" . . . . . 93.28 293 98.20 99.10 1.15e-68 . . . . 18624 1 7 no GB AAO50507 . "unknown protein [Arabidopsis thaliana]" . . . . . 93.28 293 98.20 99.10 1.15e-68 . . . . 18624 1 8 no REF NP_565885 . "CAX-interacting protein 2/monothiol glutaredoxin [Arabidopsis thaliana]" . . . . . 93.28 293 98.20 99.10 1.15e-68 . . . . 18624 1 9 no SP Q8H7F6 . "RecName: Full=Bifunctional monothiol glutaredoxin-S16, chloroplastic; Short=AtGrxS16; AltName: Full=Atypical GIY-YIG endonuclea" . . . . . 93.28 293 98.20 99.10 1.15e-68 . . . . 18624 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 62 MET . 18624 1 2 63 ALA . 18624 1 3 64 SER . 18624 1 4 65 ALA . 18624 1 5 66 VAL . 18624 1 6 67 LYS . 18624 1 7 68 SER . 18624 1 8 69 LEU . 18624 1 9 70 THR . 18624 1 10 71 GLU . 18624 1 11 72 THR . 18624 1 12 73 GLU . 18624 1 13 74 LEU . 18624 1 14 75 LEU . 18624 1 15 76 PRO . 18624 1 16 77 ILE . 18624 1 17 78 THR . 18624 1 18 79 GLU . 18624 1 19 80 ALA . 18624 1 20 81 ASP . 18624 1 21 82 SER . 18624 1 22 83 ILE . 18624 1 23 84 PRO . 18624 1 24 85 SER . 18624 1 25 86 ALA . 18624 1 26 87 SER . 18624 1 27 88 GLY . 18624 1 28 89 VAL . 18624 1 29 90 TYR . 18624 1 30 91 ALA . 18624 1 31 92 VAL . 18624 1 32 93 TYR . 18624 1 33 94 ASP . 18624 1 34 95 LYS . 18624 1 35 96 SER . 18624 1 36 97 ASP . 18624 1 37 98 GLU . 18624 1 38 99 LEU . 18624 1 39 100 GLN . 18624 1 40 101 PHE . 18624 1 41 102 VAL . 18624 1 42 103 GLY . 18624 1 43 104 ILE . 18624 1 44 105 SER . 18624 1 45 106 ARG . 18624 1 46 107 ASN . 18624 1 47 108 ILE . 18624 1 48 109 ALA . 18624 1 49 110 ALA . 18624 1 50 111 SER . 18624 1 51 112 VAL . 18624 1 52 113 SER . 18624 1 53 114 ALA . 18624 1 54 115 HIS . 18624 1 55 116 LEU . 18624 1 56 117 LYS . 18624 1 57 118 SER . 18624 1 58 119 VAL . 18624 1 59 120 PRO . 18624 1 60 121 GLU . 18624 1 61 122 LEU . 18624 1 62 123 CYS . 18624 1 63 124 GLY . 18624 1 64 125 SER . 18624 1 65 126 VAL . 18624 1 66 127 LYS . 18624 1 67 128 VAL . 18624 1 68 129 GLY . 18624 1 69 130 ILE . 18624 1 70 131 VAL . 18624 1 71 132 GLU . 18624 1 72 133 GLU . 18624 1 73 134 PRO . 18624 1 74 135 ASP . 18624 1 75 136 LYS . 18624 1 76 137 ALA . 18624 1 77 138 VAL . 18624 1 78 139 LEU . 18624 1 79 140 THR . 18624 1 80 141 GLN . 18624 1 81 142 ALA . 18624 1 82 143 TRP . 18624 1 83 144 LYS . 18624 1 84 145 LEU . 18624 1 85 146 TRP . 18624 1 86 147 ILE . 18624 1 87 148 GLU . 18624 1 88 149 GLU . 18624 1 89 150 HIS . 18624 1 90 151 ILE . 18624 1 91 152 LYS . 18624 1 92 153 VAL . 18624 1 93 154 THR . 18624 1 94 155 GLY . 18624 1 95 156 LYS . 18624 1 96 157 VAL . 18624 1 97 158 PRO . 18624 1 98 159 PRO . 18624 1 99 160 GLY . 18624 1 100 161 ASN . 18624 1 101 162 LYS . 18624 1 102 163 SER . 18624 1 103 164 GLY . 18624 1 104 165 ASN . 18624 1 105 166 ASN . 18624 1 106 167 THR . 18624 1 107 168 PHE . 18624 1 108 169 VAL . 18624 1 109 170 LYS . 18624 1 110 171 VAL . 18624 1 111 172 THR . 18624 1 112 173 LEU . 18624 1 113 174 GLU . 18624 1 114 175 HIS . 18624 1 115 176 HIS . 18624 1 116 177 HIS . 18624 1 117 178 HIS . 18624 1 118 179 HIS . 18624 1 119 180 HIS . 18624 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 18624 1 . ALA 2 2 18624 1 . SER 3 3 18624 1 . ALA 4 4 18624 1 . VAL 5 5 18624 1 . LYS 6 6 18624 1 . SER 7 7 18624 1 . LEU 8 8 18624 1 . THR 9 9 18624 1 . GLU 10 10 18624 1 . THR 11 11 18624 1 . GLU 12 12 18624 1 . LEU 13 13 18624 1 . LEU 14 14 18624 1 . PRO 15 15 18624 1 . ILE 16 16 18624 1 . THR 17 17 18624 1 . GLU 18 18 18624 1 . ALA 19 19 18624 1 . ASP 20 20 18624 1 . SER 21 21 18624 1 . ILE 22 22 18624 1 . PRO 23 23 18624 1 . SER 24 24 18624 1 . ALA 25 25 18624 1 . SER 26 26 18624 1 . GLY 27 27 18624 1 . VAL 28 28 18624 1 . TYR 29 29 18624 1 . ALA 30 30 18624 1 . VAL 31 31 18624 1 . TYR 32 32 18624 1 . ASP 33 33 18624 1 . LYS 34 34 18624 1 . SER 35 35 18624 1 . ASP 36 36 18624 1 . GLU 37 37 18624 1 . LEU 38 38 18624 1 . GLN 39 39 18624 1 . PHE 40 40 18624 1 . VAL 41 41 18624 1 . GLY 42 42 18624 1 . ILE 43 43 18624 1 . SER 44 44 18624 1 . ARG 45 45 18624 1 . ASN 46 46 18624 1 . ILE 47 47 18624 1 . ALA 48 48 18624 1 . ALA 49 49 18624 1 . SER 50 50 18624 1 . VAL 51 51 18624 1 . SER 52 52 18624 1 . ALA 53 53 18624 1 . HIS 54 54 18624 1 . LEU 55 55 18624 1 . LYS 56 56 18624 1 . SER 57 57 18624 1 . VAL 58 58 18624 1 . PRO 59 59 18624 1 . GLU 60 60 18624 1 . LEU 61 61 18624 1 . CYS 62 62 18624 1 . GLY 63 63 18624 1 . SER 64 64 18624 1 . VAL 65 65 18624 1 . LYS 66 66 18624 1 . VAL 67 67 18624 1 . GLY 68 68 18624 1 . ILE 69 69 18624 1 . VAL 70 70 18624 1 . GLU 71 71 18624 1 . GLU 72 72 18624 1 . PRO 73 73 18624 1 . ASP 74 74 18624 1 . LYS 75 75 18624 1 . ALA 76 76 18624 1 . VAL 77 77 18624 1 . LEU 78 78 18624 1 . THR 79 79 18624 1 . GLN 80 80 18624 1 . ALA 81 81 18624 1 . TRP 82 82 18624 1 . LYS 83 83 18624 1 . LEU 84 84 18624 1 . TRP 85 85 18624 1 . ILE 86 86 18624 1 . GLU 87 87 18624 1 . GLU 88 88 18624 1 . HIS 89 89 18624 1 . ILE 90 90 18624 1 . LYS 91 91 18624 1 . VAL 92 92 18624 1 . THR 93 93 18624 1 . GLY 94 94 18624 1 . LYS 95 95 18624 1 . VAL 96 96 18624 1 . PRO 97 97 18624 1 . PRO 98 98 18624 1 . GLY 99 99 18624 1 . ASN 100 100 18624 1 . LYS 101 101 18624 1 . SER 102 102 18624 1 . GLY 103 103 18624 1 . ASN 104 104 18624 1 . ASN 105 105 18624 1 . THR 106 106 18624 1 . PHE 107 107 18624 1 . VAL 108 108 18624 1 . LYS 109 109 18624 1 . VAL 110 110 18624 1 . THR 111 111 18624 1 . LEU 112 112 18624 1 . GLU 113 113 18624 1 . HIS 114 114 18624 1 . HIS 115 115 18624 1 . HIS 116 116 18624 1 . HIS 117 117 18624 1 . HIS 118 118 18624 1 . HIS 119 119 18624 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 18624 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Nterm_Grx . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 18624 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 18624 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Nterm_Grx . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b . . . . . . 18624 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18624 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 Nterm_Grx '[U-13C; U-15N]' . . 1 $Nterm_Grx . . 0.5-1.0 . . mM . . . . 18624 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18624 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18624 1 4 DSS 'natural abundance' . . . . . . 0.02 . . % . . . . 18624 1 5 D2O [U-2H] . . . . . . 0.1 . . v/v . . . . 18624 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18624 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 18624 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 18624 1 pH 7 . pH 18624 1 pressure 1 . atm 18624 1 temperature 298 . K 18624 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18624 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18624 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18624 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18624 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18624 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18624 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18624 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18624 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18624 3 'data analysis' 18624 3 'peak picking' 18624 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18624 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18624 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18624 4 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 18624 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18624 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 18624 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 18624 _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 . . . . . . . . . . . . . . . . 18624 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18624 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 18624 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18624 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18624 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18624 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 18624 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 18624 1 2 '2D 1H-13C HSQC' . . . 18624 1 3 '3D CBCA(CO)NH' . . . 18624 1 4 '3D HNCA' . . . 18624 1 5 '3D HNCACB' . . . 18624 1 6 '3D HNCO' . . . 18624 1 7 '3D HBHA(CO)NH' . . . 18624 1 8 '3D HCCH-TOCSY' . . . 18624 1 9 '3D HCCH-COSY' . . . 18624 1 10 '3D CCH-TOCSY' . . . 18624 1 11 '3D 1H-15N TOCSY' . . . 18624 1 12 '3D 1H-15N NOESY' . . . 18624 1 13 '3D 1H-13C NOESY aliphatic' . . . 18624 1 14 '3D 1H-13C NOESY aromatic' . . . 18624 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER HA H 1 4.5200 0.02 . 1 . . . A 64 SER HA . 18624 1 2 . 1 1 3 3 SER HB2 H 1 3.8840 0.02 . 2 . . . A 64 SER HB2 . 18624 1 3 . 1 1 3 3 SER HB3 H 1 3.8840 0.02 . 2 . . . A 64 SER HB3 . 18624 1 4 . 1 1 3 3 SER C C 13 174.0600 0.3 . 1 . . . A 64 SER C . 18624 1 5 . 1 1 3 3 SER CA C 13 58.2690 0.3 . 1 . . . A 64 SER CA . 18624 1 6 . 1 1 3 3 SER CB C 13 64.1290 0.3 . 1 . . . A 64 SER CB . 18624 1 7 . 1 1 4 4 ALA H H 1 8.6000 0.02 . 1 . . . A 65 ALA H . 18624 1 8 . 1 1 4 4 ALA HA H 1 4.4100 0.02 . 1 . . . A 65 ALA HA . 18624 1 9 . 1 1 4 4 ALA HB1 H 1 1.4000 0.02 . 1 . . . A 65 ALA HB1 . 18624 1 10 . 1 1 4 4 ALA HB2 H 1 1.4000 0.02 . 1 . . . A 65 ALA HB2 . 18624 1 11 . 1 1 4 4 ALA HB3 H 1 1.4000 0.02 . 1 . . . A 65 ALA HB3 . 18624 1 12 . 1 1 4 4 ALA C C 13 177.3480 0.3 . 1 . . . A 65 ALA C . 18624 1 13 . 1 1 4 4 ALA CA C 13 52.5850 0.3 . 1 . . . A 65 ALA CA . 18624 1 14 . 1 1 4 4 ALA CB C 13 19.7270 0.3 . 1 . . . A 65 ALA CB . 18624 1 15 . 1 1 4 4 ALA N N 15 126.6120 0.2 . 1 . . . A 65 ALA N . 18624 1 16 . 1 1 5 5 VAL H H 1 7.9350 0.02 . 1 . . . A 66 VAL H . 18624 1 17 . 1 1 5 5 VAL HA H 1 4.1710 0.02 . 1 . . . A 66 VAL HA . 18624 1 18 . 1 1 5 5 VAL HB H 1 1.9640 0.02 . 1 . . . A 66 VAL HB . 18624 1 19 . 1 1 5 5 VAL HG11 H 1 0.7670 0.02 . 2 . . . A 66 VAL HG11 . 18624 1 20 . 1 1 5 5 VAL HG12 H 1 0.7670 0.02 . 2 . . . A 66 VAL HG12 . 18624 1 21 . 1 1 5 5 VAL HG13 H 1 0.7670 0.02 . 2 . . . A 66 VAL HG13 . 18624 1 22 . 1 1 5 5 VAL HG21 H 1 0.7670 0.02 . 2 . . . A 66 VAL HG21 . 18624 1 23 . 1 1 5 5 VAL HG22 H 1 0.7670 0.02 . 2 . . . A 66 VAL HG22 . 18624 1 24 . 1 1 5 5 VAL HG23 H 1 0.7670 0.02 . 2 . . . A 66 VAL HG23 . 18624 1 25 . 1 1 5 5 VAL C C 13 175.8400 0.3 . 1 . . . A 66 VAL C . 18624 1 26 . 1 1 5 5 VAL CA C 13 61.5300 0.3 . 1 . . . A 66 VAL CA . 18624 1 27 . 1 1 5 5 VAL CB C 13 33.2620 0.3 . 1 . . . A 66 VAL CB . 18624 1 28 . 1 1 5 5 VAL CG1 C 13 21.0790 0.3 . 2 . . . A 66 VAL CG1 . 18624 1 29 . 1 1 5 5 VAL CG2 C 13 21.0790 0.3 . 2 . . . A 66 VAL CG2 . 18624 1 30 . 1 1 5 5 VAL N N 15 118.4250 0.2 . 1 . . . A 66 VAL N . 18624 1 31 . 1 1 6 6 LYS H H 1 8.6480 0.02 . 1 . . . A 67 LYS H . 18624 1 32 . 1 1 6 6 LYS HA H 1 4.3550 0.02 . 1 . . . A 67 LYS HA . 18624 1 33 . 1 1 6 6 LYS HB2 H 1 1.8640 0.02 . 2 . . . A 67 LYS HB2 . 18624 1 34 . 1 1 6 6 LYS HB3 H 1 1.8640 0.02 . 2 . . . A 67 LYS HB3 . 18624 1 35 . 1 1 6 6 LYS HG2 H 1 1.6650 0.02 . 2 . . . A 67 LYS HG2 . 18624 1 36 . 1 1 6 6 LYS HG3 H 1 1.6650 0.02 . 2 . . . A 67 LYS HG3 . 18624 1 37 . 1 1 6 6 LYS HD2 H 1 1.7510 0.02 . 2 . . . A 67 LYS HD2 . 18624 1 38 . 1 1 6 6 LYS HD3 H 1 1.7510 0.02 . 2 . . . A 67 LYS HD3 . 18624 1 39 . 1 1 6 6 LYS HE2 H 1 2.9630 0.02 . 2 . . . A 67 LYS HE2 . 18624 1 40 . 1 1 6 6 LYS HE3 H 1 2.9630 0.02 . 2 . . . A 67 LYS HE3 . 18624 1 41 . 1 1 6 6 LYS C C 13 175.5700 0.3 . 1 . . . A 67 LYS C . 18624 1 42 . 1 1 6 6 LYS CA C 13 56.3100 0.3 . 1 . . . A 67 LYS CA . 18624 1 43 . 1 1 6 6 LYS CB C 13 33.7410 0.3 . 1 . . . A 67 LYS CB . 18624 1 44 . 1 1 6 6 LYS CG C 13 24.9920 0.3 . 1 . . . A 67 LYS CG . 18624 1 45 . 1 1 6 6 LYS CD C 13 29.2470 0.3 . 1 . . . A 67 LYS CD . 18624 1 46 . 1 1 6 6 LYS CE C 13 42.2660 0.3 . 1 . . . A 67 LYS CE . 18624 1 47 . 1 1 6 6 LYS N N 15 126.7130 0.2 . 1 . . . A 67 LYS N . 18624 1 48 . 1 1 7 7 SER H H 1 8.4910 0.02 . 1 . . . A 68 SER H . 18624 1 49 . 1 1 7 7 SER HA H 1 4.4140 0.02 . 1 . . . A 68 SER HA . 18624 1 50 . 1 1 7 7 SER HB2 H 1 4.5410 0.02 . 2 . . . A 68 SER HB2 . 18624 1 51 . 1 1 7 7 SER HB3 H 1 3.9250 0.02 . 2 . . . A 68 SER HB3 . 18624 1 52 . 1 1 7 7 SER C C 13 175.6080 0.3 . 1 . . . A 68 SER C . 18624 1 53 . 1 1 7 7 SER CA C 13 58.4000 0.3 . 1 . . . A 68 SER CA . 18624 1 54 . 1 1 7 7 SER CB C 13 64.1720 0.3 . 1 . . . A 68 SER CB . 18624 1 55 . 1 1 7 7 SER N N 15 115.3070 0.2 . 1 . . . A 68 SER N . 18624 1 56 . 1 1 8 8 LEU H H 1 9.3790 0.02 . 1 . . . A 69 LEU H . 18624 1 57 . 1 1 8 8 LEU HA H 1 2.6270 0.02 . 1 . . . A 69 LEU HA . 18624 1 58 . 1 1 8 8 LEU HB2 H 1 0.5060 0.02 . 2 . . . A 69 LEU HB2 . 18624 1 59 . 1 1 8 8 LEU HB3 H 1 1.1720 0.02 . 2 . . . A 69 LEU HB3 . 18624 1 60 . 1 1 8 8 LEU HG H 1 0.7720 0.02 . 1 . . . A 69 LEU HG . 18624 1 61 . 1 1 8 8 LEU HD11 H 1 0.4240 0.02 . 2 . . . A 69 LEU HD11 . 18624 1 62 . 1 1 8 8 LEU HD12 H 1 0.4240 0.02 . 2 . . . A 69 LEU HD12 . 18624 1 63 . 1 1 8 8 LEU HD13 H 1 0.4240 0.02 . 2 . . . A 69 LEU HD13 . 18624 1 64 . 1 1 8 8 LEU HD21 H 1 -0.0060 . . 2 . . . A 69 LEU HD21 . 18624 1 65 . 1 1 8 8 LEU HD22 H 1 -0.0060 . . 2 . . . A 69 LEU HD22 . 18624 1 66 . 1 1 8 8 LEU HD23 H 1 -0.0060 . . 2 . . . A 69 LEU HD23 . 18624 1 67 . 1 1 8 8 LEU C C 13 180.2700 0.3 . 1 . . . A 69 LEU C . 18624 1 68 . 1 1 8 8 LEU CA C 13 58.5140 0.3 . 1 . . . A 69 LEU CA . 18624 1 69 . 1 1 8 8 LEU CB C 13 41.6310 0.3 . 1 . . . A 69 LEU CB . 18624 1 70 . 1 1 8 8 LEU CG C 13 25.3990 0.3 . 1 . . . A 69 LEU CG . 18624 1 71 . 1 1 8 8 LEU CD1 C 13 25.5640 0.3 . 2 . . . A 69 LEU CD1 . 18624 1 72 . 1 1 8 8 LEU CD2 C 13 23.3490 0.3 . 2 . . . A 69 LEU CD2 . 18624 1 73 . 1 1 8 8 LEU N N 15 129.2300 0.2 . 1 . . . A 69 LEU N . 18624 1 74 . 1 1 9 9 THR H H 1 8.2980 0.02 . 1 . . . A 70 THR H . 18624 1 75 . 1 1 9 9 THR HA H 1 3.7050 0.02 . 1 . . . A 70 THR HA . 18624 1 76 . 1 1 9 9 THR HB H 1 4.0390 0.02 . 1 . . . A 70 THR HB . 18624 1 77 . 1 1 9 9 THR HG21 H 1 1.1460 0.02 . 1 . . . A 70 THR HG21 . 18624 1 78 . 1 1 9 9 THR HG22 H 1 1.1460 0.02 . 1 . . . A 70 THR HG22 . 18624 1 79 . 1 1 9 9 THR HG23 H 1 1.1460 0.02 . 1 . . . A 70 THR HG23 . 18624 1 80 . 1 1 9 9 THR C C 13 175.8100 0.3 . 1 . . . A 70 THR C . 18624 1 81 . 1 1 9 9 THR CA C 13 65.5960 0.3 . 1 . . . A 70 THR CA . 18624 1 82 . 1 1 9 9 THR CB C 13 68.7910 0.3 . 1 . . . A 70 THR CB . 18624 1 83 . 1 1 9 9 THR CG2 C 13 21.4890 0.3 . 1 . . . A 70 THR CG2 . 18624 1 84 . 1 1 9 9 THR N N 15 112.0350 0.2 . 1 . . . A 70 THR N . 18624 1 85 . 1 1 10 10 GLU H H 1 7.3670 0.02 . 1 . . . A 71 GLU H . 18624 1 86 . 1 1 10 10 GLU HA H 1 4.2140 0.02 . 1 . . . A 71 GLU HA . 18624 1 87 . 1 1 10 10 GLU HB2 H 1 2.1050 0.02 . 2 . . . A 71 GLU HB2 . 18624 1 88 . 1 1 10 10 GLU HB3 H 1 1.9720 0.02 . 2 . . . A 71 GLU HB3 . 18624 1 89 . 1 1 10 10 GLU HG2 H 1 2.2520 0.02 . 2 . . . A 71 GLU HG2 . 18624 1 90 . 1 1 10 10 GLU HG3 H 1 2.2520 0.02 . 2 . . . A 71 GLU HG3 . 18624 1 91 . 1 1 10 10 GLU C C 13 176.2000 0.3 . 1 . . . A 71 GLU C . 18624 1 92 . 1 1 10 10 GLU CA C 13 56.4580 0.3 . 1 . . . A 71 GLU CA . 18624 1 93 . 1 1 10 10 GLU CB C 13 30.8190 0.3 . 1 . . . A 71 GLU CB . 18624 1 94 . 1 1 10 10 GLU CG C 13 36.4190 0.3 . 1 . . . A 71 GLU CG . 18624 1 95 . 1 1 10 10 GLU N N 15 118.5520 0.2 . 1 . . . A 71 GLU N . 18624 1 96 . 1 1 11 11 THR H H 1 7.2410 0.02 . 1 . . . A 72 THR H . 18624 1 97 . 1 1 11 11 THR HA H 1 4.0780 0.02 . 1 . . . A 72 THR HA . 18624 1 98 . 1 1 11 11 THR HB H 1 3.9260 0.02 . 1 . . . A 72 THR HB . 18624 1 99 . 1 1 11 11 THR HG21 H 1 1.6270 0.02 . 1 . . . A 72 THR HG21 . 18624 1 100 . 1 1 11 11 THR HG22 H 1 1.6270 0.02 . 1 . . . A 72 THR HG22 . 18624 1 101 . 1 1 11 11 THR HG23 H 1 1.6270 0.02 . 1 . . . A 72 THR HG23 . 18624 1 102 . 1 1 11 11 THR C C 13 173.4600 0.3 . 1 . . . A 72 THR C . 18624 1 103 . 1 1 11 11 THR CA C 13 64.8780 0.3 . 1 . . . A 72 THR CA . 18624 1 104 . 1 1 11 11 THR CB C 13 69.3540 0.3 . 1 . . . A 72 THR CB . 18624 1 105 . 1 1 11 11 THR CG2 C 13 23.1080 0.3 . 1 . . . A 72 THR CG2 . 18624 1 106 . 1 1 11 11 THR N N 15 119.5570 0.2 . 1 . . . A 72 THR N . 18624 1 107 . 1 1 12 12 GLU H H 1 8.9320 0.02 . 1 . . . A 73 GLU H . 18624 1 108 . 1 1 12 12 GLU HA H 1 4.0730 0.02 . 1 . . . A 73 GLU HA . 18624 1 109 . 1 1 12 12 GLU HB2 H 1 2.0140 0.02 . 2 . . . A 73 GLU HB2 . 18624 1 110 . 1 1 12 12 GLU HB3 H 1 2.0140 0.02 . 2 . . . A 73 GLU HB3 . 18624 1 111 . 1 1 12 12 GLU HG2 H 1 2.3220 0.02 . 2 . . . A 73 GLU HG2 . 18624 1 112 . 1 1 12 12 GLU HG3 H 1 2.3220 0.02 . 2 . . . A 73 GLU HG3 . 18624 1 113 . 1 1 12 12 GLU C C 13 175.1200 0.3 . 1 . . . A 73 GLU C . 18624 1 114 . 1 1 12 12 GLU CA C 13 56.8770 0.3 . 1 . . . A 73 GLU CA . 18624 1 115 . 1 1 12 12 GLU CB C 13 30.4300 0.3 . 1 . . . A 73 GLU CB . 18624 1 116 . 1 1 12 12 GLU CG C 13 36.2120 0.3 . 1 . . . A 73 GLU CG . 18624 1 117 . 1 1 12 12 GLU N N 15 128.1550 0.2 . 1 . . . A 73 GLU N . 18624 1 118 . 1 1 13 13 LEU H H 1 8.4050 0.02 . 1 . . . A 74 LEU H . 18624 1 119 . 1 1 13 13 LEU HA H 1 4.1850 0.02 . 1 . . . A 74 LEU HA . 18624 1 120 . 1 1 13 13 LEU HB2 H 1 1.2640 0.02 . 2 . . . A 74 LEU HB2 . 18624 1 121 . 1 1 13 13 LEU HB3 H 1 1.4760 0.02 . 2 . . . A 74 LEU HB3 . 18624 1 122 . 1 1 13 13 LEU HG H 1 1.1570 0.02 . 1 . . . A 74 LEU HG . 18624 1 123 . 1 1 13 13 LEU HD11 H 1 0.3960 0.02 . 2 . . . A 74 LEU HD11 . 18624 1 124 . 1 1 13 13 LEU HD12 H 1 0.3960 0.02 . 2 . . . A 74 LEU HD12 . 18624 1 125 . 1 1 13 13 LEU HD13 H 1 0.3960 0.02 . 2 . . . A 74 LEU HD13 . 18624 1 126 . 1 1 13 13 LEU HD21 H 1 0.3400 0.02 . 2 . . . A 74 LEU HD21 . 18624 1 127 . 1 1 13 13 LEU HD22 H 1 0.3400 0.02 . 2 . . . A 74 LEU HD22 . 18624 1 128 . 1 1 13 13 LEU HD23 H 1 0.3400 0.02 . 2 . . . A 74 LEU HD23 . 18624 1 129 . 1 1 13 13 LEU C C 13 176.4000 0.3 . 1 . . . A 74 LEU C . 18624 1 130 . 1 1 13 13 LEU CA C 13 54.7110 0.3 . 1 . . . A 74 LEU CA . 18624 1 131 . 1 1 13 13 LEU CB C 13 43.5530 0.3 . 1 . . . A 74 LEU CB . 18624 1 132 . 1 1 13 13 LEU CG C 13 26.6290 0.3 . 1 . . . A 74 LEU CG . 18624 1 133 . 1 1 13 13 LEU CD1 C 13 24.7000 0.3 . 2 . . . A 74 LEU CD1 . 18624 1 134 . 1 1 13 13 LEU CD2 C 13 24.7000 0.3 . 2 . . . A 74 LEU CD2 . 18624 1 135 . 1 1 13 13 LEU N N 15 123.4240 0.2 . 1 . . . A 74 LEU N . 18624 1 136 . 1 1 14 14 LEU H H 1 9.3190 0.02 . 1 . . . A 75 LEU H . 18624 1 137 . 1 1 14 14 LEU HA H 1 4.9910 0.02 . 1 . . . A 75 LEU HA . 18624 1 138 . 1 1 14 14 LEU HB2 H 1 1.5520 0.02 . 2 . . . A 75 LEU HB2 . 18624 1 139 . 1 1 14 14 LEU HB3 H 1 1.7730 0.02 . 2 . . . A 75 LEU HB3 . 18624 1 140 . 1 1 14 14 LEU HG H 1 1.7860 0.02 . 1 . . . A 75 LEU HG . 18624 1 141 . 1 1 14 14 LEU HD11 H 1 0.9450 0.02 . 2 . . . A 75 LEU HD11 . 18624 1 142 . 1 1 14 14 LEU HD12 H 1 0.9450 0.02 . 2 . . . A 75 LEU HD12 . 18624 1 143 . 1 1 14 14 LEU HD13 H 1 0.9450 0.02 . 2 . . . A 75 LEU HD13 . 18624 1 144 . 1 1 14 14 LEU HD21 H 1 0.8310 0.02 . 2 . . . A 75 LEU HD21 . 18624 1 145 . 1 1 14 14 LEU HD22 H 1 0.8310 0.02 . 2 . . . A 75 LEU HD22 . 18624 1 146 . 1 1 14 14 LEU HD23 H 1 0.8310 0.02 . 2 . . . A 75 LEU HD23 . 18624 1 147 . 1 1 14 14 LEU CA C 13 51.6050 0.3 . 1 . . . A 75 LEU CA . 18624 1 148 . 1 1 14 14 LEU CB C 13 43.2400 0.3 . 1 . . . A 75 LEU CB . 18624 1 149 . 1 1 14 14 LEU CG C 13 25.9760 0.3 . 1 . . . A 75 LEU CG . 18624 1 150 . 1 1 14 14 LEU CD1 C 13 25.6390 0.3 . 2 . . . A 75 LEU CD1 . 18624 1 151 . 1 1 14 14 LEU CD2 C 13 24.0670 0.3 . 2 . . . A 75 LEU CD2 . 18624 1 152 . 1 1 14 14 LEU N N 15 128.9190 0.2 . 1 . . . A 75 LEU N . 18624 1 153 . 1 1 15 15 PRO HA H 1 4.6190 0.02 . 1 . . . A 76 PRO HA . 18624 1 154 . 1 1 15 15 PRO HB2 H 1 2.4470 0.02 . 2 . . . A 76 PRO HB2 . 18624 1 155 . 1 1 15 15 PRO HB3 H 1 1.9700 0.02 . 2 . . . A 76 PRO HB3 . 18624 1 156 . 1 1 15 15 PRO HG2 H 1 2.0420 0.02 . 2 . . . A 76 PRO HG2 . 18624 1 157 . 1 1 15 15 PRO HG3 H 1 2.1320 0.02 . 2 . . . A 76 PRO HG3 . 18624 1 158 . 1 1 15 15 PRO HD2 H 1 3.6750 0.02 . 2 . . . A 76 PRO HD2 . 18624 1 159 . 1 1 15 15 PRO HD3 H 1 3.9240 0.02 . 2 . . . A 76 PRO HD3 . 18624 1 160 . 1 1 15 15 PRO C C 13 178.5600 0.3 . 1 . . . A 76 PRO C . 18624 1 161 . 1 1 15 15 PRO CA C 13 62.9180 0.3 . 1 . . . A 76 PRO CA . 18624 1 162 . 1 1 15 15 PRO CB C 13 32.3370 0.3 . 1 . . . A 76 PRO CB . 18624 1 163 . 1 1 15 15 PRO CG C 13 27.8370 0.3 . 1 . . . A 76 PRO CG . 18624 1 164 . 1 1 15 15 PRO CD C 13 50.7430 0.3 . 1 . . . A 76 PRO CD . 18624 1 165 . 1 1 16 16 ILE H H 1 8.0300 0.02 . 1 . . . A 77 ILE H . 18624 1 166 . 1 1 16 16 ILE HA H 1 3.9820 0.02 . 1 . . . A 77 ILE HA . 18624 1 167 . 1 1 16 16 ILE HB H 1 1.5860 0.02 . 1 . . . A 77 ILE HB . 18624 1 168 . 1 1 16 16 ILE HG12 H 1 1.2610 0.02 . 2 . . . A 77 ILE HG12 . 18624 1 169 . 1 1 16 16 ILE HG13 H 1 1.5350 0.02 . 2 . . . A 77 ILE HG13 . 18624 1 170 . 1 1 16 16 ILE HG21 H 1 0.9320 0.02 . 1 . . . A 77 ILE HG21 . 18624 1 171 . 1 1 16 16 ILE HG22 H 1 0.9320 0.02 . 1 . . . A 77 ILE HG22 . 18624 1 172 . 1 1 16 16 ILE HG23 H 1 0.9320 0.02 . 1 . . . A 77 ILE HG23 . 18624 1 173 . 1 1 16 16 ILE HD11 H 1 0.8220 0.02 . 1 . . . A 77 ILE HD11 . 18624 1 174 . 1 1 16 16 ILE HD12 H 1 0.8220 0.02 . 1 . . . A 77 ILE HD12 . 18624 1 175 . 1 1 16 16 ILE HD13 H 1 0.8220 0.02 . 1 . . . A 77 ILE HD13 . 18624 1 176 . 1 1 16 16 ILE C C 13 175.7200 0.3 . 1 . . . A 77 ILE C . 18624 1 177 . 1 1 16 16 ILE CA C 13 62.3420 0.3 . 1 . . . A 77 ILE CA . 18624 1 178 . 1 1 16 16 ILE CB C 13 38.8230 0.3 . 1 . . . A 77 ILE CB . 18624 1 179 . 1 1 16 16 ILE CG1 C 13 29.5890 0.3 . 1 . . . A 77 ILE CG1 . 18624 1 180 . 1 1 16 16 ILE CG2 C 13 18.7340 0.3 . 1 . . . A 77 ILE CG2 . 18624 1 181 . 1 1 16 16 ILE CD1 C 13 14.4970 0.3 . 1 . . . A 77 ILE CD1 . 18624 1 182 . 1 1 16 16 ILE N N 15 121.8880 0.2 . 1 . . . A 77 ILE N . 18624 1 183 . 1 1 17 17 THR H H 1 7.5690 0.02 . 1 . . . A 78 THR H . 18624 1 184 . 1 1 17 17 THR HA H 1 4.2070 0.02 . 1 . . . A 78 THR HA . 18624 1 185 . 1 1 17 17 THR HB H 1 4.4500 0.02 . 1 . . . A 78 THR HB . 18624 1 186 . 1 1 17 17 THR HG21 H 1 1.2940 0.02 . 1 . . . A 78 THR HG21 . 18624 1 187 . 1 1 17 17 THR HG22 H 1 1.2940 0.02 . 1 . . . A 78 THR HG22 . 18624 1 188 . 1 1 17 17 THR HG23 H 1 1.2940 0.02 . 1 . . . A 78 THR HG23 . 18624 1 189 . 1 1 17 17 THR C C 13 175.7400 0.3 . 1 . . . A 78 THR C . 18624 1 190 . 1 1 17 17 THR CA C 13 62.3160 0.3 . 1 . . . A 78 THR CA . 18624 1 191 . 1 1 17 17 THR CB C 13 68.7360 0.3 . 1 . . . A 78 THR CB . 18624 1 192 . 1 1 17 17 THR CG2 C 13 22.4240 0.3 . 1 . . . A 78 THR CG2 . 18624 1 193 . 1 1 17 17 THR N N 15 110.7250 0.2 . 1 . . . A 78 THR N . 18624 1 194 . 1 1 18 18 GLU H H 1 7.9030 0.02 . 1 . . . A 79 GLU H . 18624 1 195 . 1 1 18 18 GLU HA H 1 4.6080 0.02 . 1 . . . A 79 GLU HA . 18624 1 196 . 1 1 18 18 GLU HB2 H 1 1.9030 0.02 . 2 . . . A 79 GLU HB2 . 18624 1 197 . 1 1 18 18 GLU HB3 H 1 2.3220 0.02 . 2 . . . A 79 GLU HB3 . 18624 1 198 . 1 1 18 18 GLU HG2 H 1 2.2880 0.02 . 2 . . . A 79 GLU HG2 . 18624 1 199 . 1 1 18 18 GLU HG3 H 1 2.2030 0.02 . 2 . . . A 79 GLU HG3 . 18624 1 200 . 1 1 18 18 GLU C C 13 176.9200 0.3 . 1 . . . A 79 GLU C . 18624 1 201 . 1 1 18 18 GLU CA C 13 54.8470 0.3 . 1 . . . A 79 GLU CA . 18624 1 202 . 1 1 18 18 GLU CB C 13 28.5810 0.3 . 1 . . . A 79 GLU CB . 18624 1 203 . 1 1 18 18 GLU CG C 13 36.2510 0.3 . 1 . . . A 79 GLU CG . 18624 1 204 . 1 1 18 18 GLU N N 15 121.9270 0.2 . 1 . . . A 79 GLU N . 18624 1 205 . 1 1 19 19 ALA H H 1 7.7470 0.02 . 1 . . . A 80 ALA H . 18624 1 206 . 1 1 19 19 ALA HA H 1 3.9610 0.02 . 1 . . . A 80 ALA HA . 18624 1 207 . 1 1 19 19 ALA HB1 H 1 1.4340 0.02 . 1 . . . A 80 ALA HB1 . 18624 1 208 . 1 1 19 19 ALA HB2 H 1 1.4340 0.02 . 1 . . . A 80 ALA HB2 . 18624 1 209 . 1 1 19 19 ALA HB3 H 1 1.4340 0.02 . 1 . . . A 80 ALA HB3 . 18624 1 210 . 1 1 19 19 ALA C C 13 179.0300 0.3 . 1 . . . A 80 ALA C . 18624 1 211 . 1 1 19 19 ALA CA C 13 54.8010 0.3 . 1 . . . A 80 ALA CA . 18624 1 212 . 1 1 19 19 ALA CB C 13 18.6400 0.3 . 1 . . . A 80 ALA CB . 18624 1 213 . 1 1 19 19 ALA N N 15 123.7490 0.2 . 1 . . . A 80 ALA N . 18624 1 214 . 1 1 20 20 ASP H H 1 8.6220 0.02 . 1 . . . A 81 ASP H . 18624 1 215 . 1 1 20 20 ASP HA H 1 4.4770 0.02 . 1 . . . A 81 ASP HA . 18624 1 216 . 1 1 20 20 ASP HB2 H 1 2.6570 0.02 . 2 . . . A 81 ASP HB2 . 18624 1 217 . 1 1 20 20 ASP HB3 H 1 2.7010 0.02 . 2 . . . A 81 ASP HB3 . 18624 1 218 . 1 1 20 20 ASP C C 13 177.1300 0.3 . 1 . . . A 81 ASP C . 18624 1 219 . 1 1 20 20 ASP CA C 13 56.3220 0.3 . 1 . . . A 81 ASP CA . 18624 1 220 . 1 1 20 20 ASP CB C 13 39.9960 0.3 . 1 . . . A 81 ASP CB . 18624 1 221 . 1 1 20 20 ASP N N 15 116.4350 0.2 . 1 . . . A 81 ASP N . 18624 1 222 . 1 1 21 21 SER H H 1 8.0300 0.02 . 1 . . . A 82 SER H . 18624 1 223 . 1 1 21 21 SER HA H 1 4.4860 0.02 . 1 . . . A 82 SER HA . 18624 1 224 . 1 1 21 21 SER HB2 H 1 4.0180 0.02 . 2 . . . A 82 SER HB2 . 18624 1 225 . 1 1 21 21 SER HB3 H 1 4.0180 0.02 . 2 . . . A 82 SER HB3 . 18624 1 226 . 1 1 21 21 SER C C 13 173.8700 0.3 . 1 . . . A 82 SER C . 18624 1 227 . 1 1 21 21 SER CA C 13 58.6540 0.3 . 1 . . . A 82 SER CA . 18624 1 228 . 1 1 21 21 SER CB C 13 64.1950 0.3 . 1 . . . A 82 SER CB . 18624 1 229 . 1 1 21 21 SER N N 15 113.8240 0.2 . 1 . . . A 82 SER N . 18624 1 230 . 1 1 22 22 ILE H H 1 7.5580 0.02 . 1 . . . A 83 ILE H . 18624 1 231 . 1 1 22 22 ILE HA H 1 4.2190 0.02 . 1 . . . A 83 ILE HA . 18624 1 232 . 1 1 22 22 ILE HB H 1 1.8780 0.02 . 1 . . . A 83 ILE HB . 18624 1 233 . 1 1 22 22 ILE HG12 H 1 0.9440 0.02 . 2 . . . A 83 ILE HG12 . 18624 1 234 . 1 1 22 22 ILE HG13 H 1 1.7280 0.02 . 2 . . . A 83 ILE HG13 . 18624 1 235 . 1 1 22 22 ILE HG21 H 1 0.8950 0.02 . 1 . . . A 83 ILE HG21 . 18624 1 236 . 1 1 22 22 ILE HG22 H 1 0.8950 0.02 . 1 . . . A 83 ILE HG22 . 18624 1 237 . 1 1 22 22 ILE HG23 H 1 0.8950 0.02 . 1 . . . A 83 ILE HG23 . 18624 1 238 . 1 1 22 22 ILE HD11 H 1 0.8430 0.02 . 1 . . . A 83 ILE HD11 . 18624 1 239 . 1 1 22 22 ILE HD12 H 1 0.8430 0.02 . 1 . . . A 83 ILE HD12 . 18624 1 240 . 1 1 22 22 ILE HD13 H 1 0.8430 0.02 . 1 . . . A 83 ILE HD13 . 18624 1 241 . 1 1 22 22 ILE CA C 13 59.1170 0.3 . 1 . . . A 83 ILE CA . 18624 1 242 . 1 1 22 22 ILE CB C 13 38.3500 0.3 . 1 . . . A 83 ILE CB . 18624 1 243 . 1 1 22 22 ILE CG1 C 13 28.3700 0.3 . 1 . . . A 83 ILE CG1 . 18624 1 244 . 1 1 22 22 ILE CG2 C 13 17.2380 0.3 . 1 . . . A 83 ILE CG2 . 18624 1 245 . 1 1 22 22 ILE CD1 C 13 13.7270 0.3 . 1 . . . A 83 ILE CD1 . 18624 1 246 . 1 1 22 22 ILE N N 15 124.6840 0.2 . 1 . . . A 83 ILE N . 18624 1 247 . 1 1 23 23 PRO HA H 1 4.4690 0.02 . 1 . . . A 84 PRO HA . 18624 1 248 . 1 1 23 23 PRO HB2 H 1 1.7660 0.02 . 2 . . . A 84 PRO HB2 . 18624 1 249 . 1 1 23 23 PRO HB3 H 1 2.4150 0.02 . 2 . . . A 84 PRO HB3 . 18624 1 250 . 1 1 23 23 PRO HG2 H 1 2.1000 0.02 . 2 . . . A 84 PRO HG2 . 18624 1 251 . 1 1 23 23 PRO HG3 H 1 1.9760 0.02 . 2 . . . A 84 PRO HG3 . 18624 1 252 . 1 1 23 23 PRO HD2 H 1 4.0780 0.02 . 2 . . . A 84 PRO HD2 . 18624 1 253 . 1 1 23 23 PRO HD3 H 1 3.4840 0.02 . 2 . . . A 84 PRO HD3 . 18624 1 254 . 1 1 23 23 PRO C C 13 177.2000 0.3 . 1 . . . A 84 PRO C . 18624 1 255 . 1 1 23 23 PRO CA C 13 63.2510 0.3 . 1 . . . A 84 PRO CA . 18624 1 256 . 1 1 23 23 PRO CB C 13 32.8910 0.3 . 1 . . . A 84 PRO CB . 18624 1 257 . 1 1 23 23 PRO CG C 13 27.4000 0.3 . 1 . . . A 84 PRO CG . 18624 1 258 . 1 1 23 23 PRO CD C 13 51.3370 0.3 . 1 . . . A 84 PRO CD . 18624 1 259 . 1 1 24 24 SER H H 1 8.6320 0.02 . 1 . . . A 85 SER H . 18624 1 260 . 1 1 24 24 SER HA H 1 4.7670 0.02 . 1 . . . A 85 SER HA . 18624 1 261 . 1 1 24 24 SER HB2 H 1 3.8540 0.02 . 2 . . . A 85 SER HB2 . 18624 1 262 . 1 1 24 24 SER HB3 H 1 3.9670 0.02 . 2 . . . A 85 SER HB3 . 18624 1 263 . 1 1 24 24 SER C C 13 174.0600 0.3 . 1 . . . A 85 SER C . 18624 1 264 . 1 1 24 24 SER CA C 13 56.2990 0.3 . 1 . . . A 85 SER CA . 18624 1 265 . 1 1 24 24 SER CB C 13 62.2220 0.3 . 1 . . . A 85 SER CB . 18624 1 266 . 1 1 24 24 SER N N 15 118.9780 0.2 . 1 . . . A 85 SER N . 18624 1 267 . 1 1 25 25 ALA H H 1 6.9390 0.02 . 1 . . . A 86 ALA H . 18624 1 268 . 1 1 25 25 ALA HA H 1 4.6820 0.02 . 1 . . . A 86 ALA HA . 18624 1 269 . 1 1 25 25 ALA HB1 H 1 1.4270 0.02 . 1 . . . A 86 ALA HB1 . 18624 1 270 . 1 1 25 25 ALA HB2 H 1 1.4270 0.02 . 1 . . . A 86 ALA HB2 . 18624 1 271 . 1 1 25 25 ALA HB3 H 1 1.4270 0.02 . 1 . . . A 86 ALA HB3 . 18624 1 272 . 1 1 25 25 ALA C C 13 175.5400 0.3 . 1 . . . A 86 ALA C . 18624 1 273 . 1 1 25 25 ALA CA C 13 50.3820 0.3 . 1 . . . A 86 ALA CA . 18624 1 274 . 1 1 25 25 ALA CB C 13 22.7580 0.3 . 1 . . . A 86 ALA CB . 18624 1 275 . 1 1 25 25 ALA N N 15 122.5850 0.2 . 1 . . . A 86 ALA N . 18624 1 276 . 1 1 26 26 SER H H 1 8.3000 0.02 . 1 . . . A 87 SER H . 18624 1 277 . 1 1 26 26 SER HA H 1 4.8650 0.02 . 1 . . . A 87 SER HA . 18624 1 278 . 1 1 26 26 SER HB2 H 1 3.8700 0.02 . 2 . . . A 87 SER HB2 . 18624 1 279 . 1 1 26 26 SER HB3 H 1 3.9450 0.02 . 2 . . . A 87 SER HB3 . 18624 1 280 . 1 1 26 26 SER C C 13 174.1700 0.3 . 1 . . . A 87 SER C . 18624 1 281 . 1 1 26 26 SER CA C 13 57.0430 0.3 . 1 . . . A 87 SER CA . 18624 1 282 . 1 1 26 26 SER CB C 13 65.1760 0.3 . 1 . . . A 87 SER CB . 18624 1 283 . 1 1 26 26 SER N N 15 113.2230 0.2 . 1 . . . A 87 SER N . 18624 1 284 . 1 1 27 27 GLY H H 1 8.7440 0.02 . 1 . . . A 88 GLY H . 18624 1 285 . 1 1 27 27 GLY HA2 H 1 3.5500 0.02 . 2 . . . A 88 GLY HA2 . 18624 1 286 . 1 1 27 27 GLY HA3 H 1 5.0450 0.02 . 2 . . . A 88 GLY HA3 . 18624 1 287 . 1 1 27 27 GLY C C 13 170.9000 0.3 . 1 . . . A 88 GLY C . 18624 1 288 . 1 1 27 27 GLY CA C 13 46.3240 0.3 . 1 . . . A 88 GLY CA . 18624 1 289 . 1 1 27 27 GLY N N 15 106.4610 0.2 . 1 . . . A 88 GLY N . 18624 1 290 . 1 1 28 28 VAL H H 1 8.6150 0.02 . 1 . . . A 89 VAL H . 18624 1 291 . 1 1 28 28 VAL HA H 1 5.2740 0.02 . 1 . . . A 89 VAL HA . 18624 1 292 . 1 1 28 28 VAL HB H 1 1.4540 0.02 . 1 . . . A 89 VAL HB . 18624 1 293 . 1 1 28 28 VAL HG11 H 1 0.1300 0.02 . 2 . . . A 89 VAL HG11 . 18624 1 294 . 1 1 28 28 VAL HG12 H 1 0.1300 0.02 . 2 . . . A 89 VAL HG12 . 18624 1 295 . 1 1 28 28 VAL HG13 H 1 0.1300 0.02 . 2 . . . A 89 VAL HG13 . 18624 1 296 . 1 1 28 28 VAL HG21 H 1 0.1300 0.02 . 2 . . . A 89 VAL HG21 . 18624 1 297 . 1 1 28 28 VAL HG22 H 1 0.1300 0.02 . 2 . . . A 89 VAL HG22 . 18624 1 298 . 1 1 28 28 VAL HG23 H 1 0.1300 0.02 . 2 . . . A 89 VAL HG23 . 18624 1 299 . 1 1 28 28 VAL C C 13 172.9400 0.3 . 1 . . . A 89 VAL C . 18624 1 300 . 1 1 28 28 VAL CA C 13 57.6450 0.3 . 1 . . . A 89 VAL CA . 18624 1 301 . 1 1 28 28 VAL CB C 13 34.9500 0.3 . 1 . . . A 89 VAL CB . 18624 1 302 . 1 1 28 28 VAL CG1 C 13 19.6360 0.3 . 2 . . . A 89 VAL CG1 . 18624 1 303 . 1 1 28 28 VAL CG2 C 13 19.6360 0.3 . 2 . . . A 89 VAL CG2 . 18624 1 304 . 1 1 28 28 VAL N N 15 117.1020 0.2 . 1 . . . A 89 VAL N . 18624 1 305 . 1 1 29 29 TYR H H 1 8.6370 0.02 . 1 . . . A 90 TYR H . 18624 1 306 . 1 1 29 29 TYR HA H 1 5.9480 0.02 . 1 . . . A 90 TYR HA . 18624 1 307 . 1 1 29 29 TYR HB2 H 1 2.8720 0.02 . 2 . . . A 90 TYR HB2 . 18624 1 308 . 1 1 29 29 TYR HB3 H 1 3.0210 0.02 . 2 . . . A 90 TYR HB3 . 18624 1 309 . 1 1 29 29 TYR HD1 H 1 6.7900 0.02 . 3 . . . A 90 TYR HD1 . 18624 1 310 . 1 1 29 29 TYR HD2 H 1 6.7900 0.02 . 3 . . . A 90 TYR HD2 . 18624 1 311 . 1 1 29 29 TYR HE1 H 1 6.7740 0.02 . 3 . . . A 90 TYR HE1 . 18624 1 312 . 1 1 29 29 TYR HE2 H 1 6.7740 0.02 . 3 . . . A 90 TYR HE2 . 18624 1 313 . 1 1 29 29 TYR C C 13 171.9500 0.3 . 1 . . . A 90 TYR C . 18624 1 314 . 1 1 29 29 TYR CA C 13 56.2930 0.3 . 1 . . . A 90 TYR CA . 18624 1 315 . 1 1 29 29 TYR CB C 13 41.4290 0.3 . 1 . . . A 90 TYR CB . 18624 1 316 . 1 1 29 29 TYR CD1 C 13 133.3500 0.3 . 3 . . . A 90 TYR CD1 . 18624 1 317 . 1 1 29 29 TYR CD2 C 13 133.3500 0.3 . 3 . . . A 90 TYR CD2 . 18624 1 318 . 1 1 29 29 TYR CE1 C 13 116.9800 0.3 . 3 . . . A 90 TYR CE1 . 18624 1 319 . 1 1 29 29 TYR CE2 C 13 116.9800 0.3 . 3 . . . A 90 TYR CE2 . 18624 1 320 . 1 1 29 29 TYR N N 15 118.7180 0.2 . 1 . . . A 90 TYR N . 18624 1 321 . 1 1 30 30 ALA H H 1 9.4650 0.02 . 1 . . . A 91 ALA H . 18624 1 322 . 1 1 30 30 ALA HA H 1 5.5800 0.02 . 1 . . . A 91 ALA HA . 18624 1 323 . 1 1 30 30 ALA HB1 H 1 1.3450 0.02 . 1 . . . A 91 ALA HB1 . 18624 1 324 . 1 1 30 30 ALA HB2 H 1 1.3450 0.02 . 1 . . . A 91 ALA HB2 . 18624 1 325 . 1 1 30 30 ALA HB3 H 1 1.3450 0.02 . 1 . . . A 91 ALA HB3 . 18624 1 326 . 1 1 30 30 ALA C C 13 176.1600 0.3 . 1 . . . A 91 ALA C . 18624 1 327 . 1 1 30 30 ALA CA C 13 49.7930 0.3 . 1 . . . A 91 ALA CA . 18624 1 328 . 1 1 30 30 ALA CB C 13 23.3170 0.3 . 1 . . . A 91 ALA CB . 18624 1 329 . 1 1 30 30 ALA N N 15 123.4950 0.2 . 1 . . . A 91 ALA N . 18624 1 330 . 1 1 31 31 VAL H H 1 8.9630 0.02 . 1 . . . A 92 VAL H . 18624 1 331 . 1 1 31 31 VAL HA H 1 4.7720 0.02 . 1 . . . A 92 VAL HA . 18624 1 332 . 1 1 31 31 VAL HB H 1 1.7630 0.02 . 1 . . . A 92 VAL HB . 18624 1 333 . 1 1 31 31 VAL HG11 H 1 1.2530 0.02 . 2 . . . A 92 VAL HG11 . 18624 1 334 . 1 1 31 31 VAL HG12 H 1 1.2530 0.02 . 2 . . . A 92 VAL HG12 . 18624 1 335 . 1 1 31 31 VAL HG13 H 1 1.2530 0.02 . 2 . . . A 92 VAL HG13 . 18624 1 336 . 1 1 31 31 VAL HG21 H 1 1.2530 0.02 . 2 . . . A 92 VAL HG21 . 18624 1 337 . 1 1 31 31 VAL HG22 H 1 1.2530 0.02 . 2 . . . A 92 VAL HG22 . 18624 1 338 . 1 1 31 31 VAL HG23 H 1 1.2530 0.02 . 2 . . . A 92 VAL HG23 . 18624 1 339 . 1 1 31 31 VAL C C 13 174.3500 0.3 . 1 . . . A 92 VAL C . 18624 1 340 . 1 1 31 31 VAL CA C 13 61.9360 0.3 . 1 . . . A 92 VAL CA . 18624 1 341 . 1 1 31 31 VAL CB C 13 33.9440 0.3 . 1 . . . A 92 VAL CB . 18624 1 342 . 1 1 31 31 VAL CG1 C 13 21.4890 0.3 . 2 . . . A 92 VAL CG1 . 18624 1 343 . 1 1 31 31 VAL CG2 C 13 21.4890 0.3 . 2 . . . A 92 VAL CG2 . 18624 1 344 . 1 1 31 31 VAL N N 15 121.2050 0.2 . 1 . . . A 92 VAL N . 18624 1 345 . 1 1 32 32 TYR H H 1 9.5230 0.02 . 1 . . . A 93 TYR H . 18624 1 346 . 1 1 32 32 TYR HA H 1 5.0660 0.02 . 1 . . . A 93 TYR HA . 18624 1 347 . 1 1 32 32 TYR HB2 H 1 2.5660 0.02 . 2 . . . A 93 TYR HB2 . 18624 1 348 . 1 1 32 32 TYR HB3 H 1 3.0660 0.02 . 2 . . . A 93 TYR HB3 . 18624 1 349 . 1 1 32 32 TYR HD1 H 1 6.7020 0.02 . 3 . . . A 93 TYR HD1 . 18624 1 350 . 1 1 32 32 TYR HD2 H 1 6.7020 0.02 . 3 . . . A 93 TYR HD2 . 18624 1 351 . 1 1 32 32 TYR HE1 H 1 6.4300 0.02 . 3 . . . A 93 TYR HE1 . 18624 1 352 . 1 1 32 32 TYR HE2 H 1 6.4300 0.02 . 3 . . . A 93 TYR HE2 . 18624 1 353 . 1 1 32 32 TYR C C 13 176.5000 0.3 . 1 . . . A 93 TYR C . 18624 1 354 . 1 1 32 32 TYR CA C 13 56.4290 0.3 . 1 . . . A 93 TYR CA . 18624 1 355 . 1 1 32 32 TYR CB C 13 41.3740 0.3 . 1 . . . A 93 TYR CB . 18624 1 356 . 1 1 32 32 TYR CD1 C 13 133.0900 0.3 . 3 . . . A 93 TYR CD1 . 18624 1 357 . 1 1 32 32 TYR CD2 C 13 133.0900 0.3 . 3 . . . A 93 TYR CD2 . 18624 1 358 . 1 1 32 32 TYR CE1 C 13 117.7400 0.3 . 3 . . . A 93 TYR CE1 . 18624 1 359 . 1 1 32 32 TYR CE2 C 13 117.7400 0.3 . 3 . . . A 93 TYR CE2 . 18624 1 360 . 1 1 32 32 TYR N N 15 128.4050 0.2 . 1 . . . A 93 TYR N . 18624 1 361 . 1 1 33 33 ASP H H 1 8.9550 0.02 . 1 . . . A 94 ASP H . 18624 1 362 . 1 1 33 33 ASP HA H 1 4.8040 0.02 . 1 . . . A 94 ASP HA . 18624 1 363 . 1 1 33 33 ASP HB2 H 1 2.8300 0.02 . 2 . . . A 94 ASP HB2 . 18624 1 364 . 1 1 33 33 ASP HB3 H 1 3.7010 0.02 . 2 . . . A 94 ASP HB3 . 18624 1 365 . 1 1 33 33 ASP C C 13 178.8400 0.3 . 1 . . . A 94 ASP C . 18624 1 366 . 1 1 33 33 ASP CA C 13 53.1020 0.3 . 1 . . . A 94 ASP CA . 18624 1 367 . 1 1 33 33 ASP CB C 13 41.6400 0.3 . 1 . . . A 94 ASP CB . 18624 1 368 . 1 1 33 33 ASP N N 15 121.9850 0.2 . 1 . . . A 94 ASP N . 18624 1 369 . 1 1 34 34 LYS H H 1 8.8570 0.02 . 1 . . . A 95 LYS H . 18624 1 370 . 1 1 34 34 LYS HA H 1 4.2410 0.02 . 1 . . . A 95 LYS HA . 18624 1 371 . 1 1 34 34 LYS HB2 H 1 2.0550 0.02 . 2 . . . A 95 LYS HB2 . 18624 1 372 . 1 1 34 34 LYS HB3 H 1 1.9790 0.02 . 2 . . . A 95 LYS HB3 . 18624 1 373 . 1 1 34 34 LYS HG2 H 1 1.5010 0.02 . 2 . . . A 95 LYS HG2 . 18624 1 374 . 1 1 34 34 LYS HG3 H 1 1.4050 0.02 . 2 . . . A 95 LYS HG3 . 18624 1 375 . 1 1 34 34 LYS HD2 H 1 1.7610 0.02 . 2 . . . A 95 LYS HD2 . 18624 1 376 . 1 1 34 34 LYS HD3 H 1 1.7610 0.02 . 2 . . . A 95 LYS HD3 . 18624 1 377 . 1 1 34 34 LYS HE2 H 1 3.0420 0.02 . 2 . . . A 95 LYS HE2 . 18624 1 378 . 1 1 34 34 LYS HE3 H 1 3.0420 0.02 . 2 . . . A 95 LYS HE3 . 18624 1 379 . 1 1 34 34 LYS C C 13 177.0900 0.3 . 1 . . . A 95 LYS C . 18624 1 380 . 1 1 34 34 LYS CA C 13 58.7290 0.3 . 1 . . . A 95 LYS CA . 18624 1 381 . 1 1 34 34 LYS CB C 13 31.4270 0.3 . 1 . . . A 95 LYS CB . 18624 1 382 . 1 1 34 34 LYS CG C 13 26.0700 0.3 . 1 . . . A 95 LYS CG . 18624 1 383 . 1 1 34 34 LYS CD C 13 29.3860 0.3 . 1 . . . A 95 LYS CD . 18624 1 384 . 1 1 34 34 LYS CE C 13 42.2300 0.3 . 1 . . . A 95 LYS CE . 18624 1 385 . 1 1 34 34 LYS N N 15 117.1580 0.2 . 1 . . . A 95 LYS N . 18624 1 386 . 1 1 35 35 SER H H 1 8.6270 0.02 . 1 . . . A 96 SER H . 18624 1 387 . 1 1 35 35 SER HA H 1 4.6680 0.02 . 1 . . . A 96 SER HA . 18624 1 388 . 1 1 35 35 SER HB2 H 1 4.0390 0.02 . 2 . . . A 96 SER HB2 . 18624 1 389 . 1 1 35 35 SER HB3 H 1 4.0390 0.02 . 2 . . . A 96 SER HB3 . 18624 1 390 . 1 1 35 35 SER C C 13 173.1000 0.3 . 1 . . . A 96 SER C . 18624 1 391 . 1 1 35 35 SER CA C 13 57.7840 0.3 . 1 . . . A 96 SER CA . 18624 1 392 . 1 1 35 35 SER CB C 13 63.6270 0.3 . 1 . . . A 96 SER CB . 18624 1 393 . 1 1 35 35 SER N N 15 117.3420 0.2 . 1 . . . A 96 SER N . 18624 1 394 . 1 1 36 36 ASP H H 1 8.1230 0.02 . 1 . . . A 97 ASP H . 18624 1 395 . 1 1 36 36 ASP HA H 1 4.1810 0.02 . 1 . . . A 97 ASP HA . 18624 1 396 . 1 1 36 36 ASP HB2 H 1 2.8600 0.02 . 2 . . . A 97 ASP HB2 . 18624 1 397 . 1 1 36 36 ASP HB3 H 1 3.0470 0.02 . 2 . . . A 97 ASP HB3 . 18624 1 398 . 1 1 36 36 ASP C C 13 174.4500 0.3 . 1 . . . A 97 ASP C . 18624 1 399 . 1 1 36 36 ASP CA C 13 56.3180 0.3 . 1 . . . A 97 ASP CA . 18624 1 400 . 1 1 36 36 ASP CB C 13 38.2430 0.3 . 1 . . . A 97 ASP CB . 18624 1 401 . 1 1 36 36 ASP N N 15 114.6640 0.2 . 1 . . . A 97 ASP N . 18624 1 402 . 1 1 37 37 GLU H H 1 8.5130 0.02 . 1 . . . A 98 GLU H . 18624 1 403 . 1 1 37 37 GLU HA H 1 4.7020 0.02 . 1 . . . A 98 GLU HA . 18624 1 404 . 1 1 37 37 GLU HB2 H 1 2.0500 0.02 . 2 . . . A 98 GLU HB2 . 18624 1 405 . 1 1 37 37 GLU HB3 H 1 2.0500 0.02 . 2 . . . A 98 GLU HB3 . 18624 1 406 . 1 1 37 37 GLU HG2 H 1 2.1290 0.02 . 2 . . . A 98 GLU HG2 . 18624 1 407 . 1 1 37 37 GLU HG3 H 1 2.1290 0.02 . 2 . . . A 98 GLU HG3 . 18624 1 408 . 1 1 37 37 GLU C C 13 177.4200 0.3 . 1 . . . A 98 GLU C . 18624 1 409 . 1 1 37 37 GLU CA C 13 55.3610 0.3 . 1 . . . A 98 GLU CA . 18624 1 410 . 1 1 37 37 GLU CB C 13 30.2910 0.3 . 1 . . . A 98 GLU CB . 18624 1 411 . 1 1 37 37 GLU CG C 13 36.2680 0.3 . 1 . . . A 98 GLU CG . 18624 1 412 . 1 1 37 37 GLU N N 15 120.0520 0.2 . 1 . . . A 98 GLU N . 18624 1 413 . 1 1 38 38 LEU H H 1 8.8550 0.02 . 1 . . . A 99 LEU H . 18624 1 414 . 1 1 38 38 LEU HA H 1 3.1940 0.02 . 1 . . . A 99 LEU HA . 18624 1 415 . 1 1 38 38 LEU HB2 H 1 0.7790 0.02 . 2 . . . A 99 LEU HB2 . 18624 1 416 . 1 1 38 38 LEU HB3 H 1 1.1550 0.02 . 2 . . . A 99 LEU HB3 . 18624 1 417 . 1 1 38 38 LEU HG H 1 0.4560 0.02 . 1 . . . A 99 LEU HG . 18624 1 418 . 1 1 38 38 LEU HD11 H 1 -0.2130 . . 2 . . . A 99 LEU HD11 . 18624 1 419 . 1 1 38 38 LEU HD12 H 1 -0.2130 . . 2 . . . A 99 LEU HD12 . 18624 1 420 . 1 1 38 38 LEU HD13 H 1 -0.2130 . . 2 . . . A 99 LEU HD13 . 18624 1 421 . 1 1 38 38 LEU HD21 H 1 -0.0270 . . 2 . . . A 99 LEU HD21 . 18624 1 422 . 1 1 38 38 LEU HD22 H 1 -0.0270 . . 2 . . . A 99 LEU HD22 . 18624 1 423 . 1 1 38 38 LEU HD23 H 1 -0.0270 . . 2 . . . A 99 LEU HD23 . 18624 1 424 . 1 1 38 38 LEU C C 13 176.0800 0.3 . 1 . . . A 99 LEU C . 18624 1 425 . 1 1 38 38 LEU CA C 13 56.4740 0.3 . 1 . . . A 99 LEU CA . 18624 1 426 . 1 1 38 38 LEU CB C 13 40.6720 0.3 . 1 . . . A 99 LEU CB . 18624 1 427 . 1 1 38 38 LEU CG C 13 25.5680 0.3 . 1 . . . A 99 LEU CG . 18624 1 428 . 1 1 38 38 LEU CD1 C 13 25.1790 0.3 . 2 . . . A 99 LEU CD1 . 18624 1 429 . 1 1 38 38 LEU CD2 C 13 23.2300 0.3 . 2 . . . A 99 LEU CD2 . 18624 1 430 . 1 1 38 38 LEU N N 15 129.0250 0.2 . 1 . . . A 99 LEU N . 18624 1 431 . 1 1 39 39 GLN H H 1 9.2070 0.02 . 1 . . . A 100 GLN H . 18624 1 432 . 1 1 39 39 GLN HA H 1 4.1540 0.02 . 1 . . . A 100 GLN HA . 18624 1 433 . 1 1 39 39 GLN HB2 H 1 1.4350 0.02 . 2 . . . A 100 GLN HB2 . 18624 1 434 . 1 1 39 39 GLN HB3 H 1 1.4350 0.02 . 2 . . . A 100 GLN HB3 . 18624 1 435 . 1 1 39 39 GLN HG2 H 1 2.2450 0.02 . 2 . . . A 100 GLN HG2 . 18624 1 436 . 1 1 39 39 GLN HG3 H 1 2.2450 0.02 . 2 . . . A 100 GLN HG3 . 18624 1 437 . 1 1 39 39 GLN HE21 H 1 6.8350 0.02 . 2 . . . A 100 GLN HE21 . 18624 1 438 . 1 1 39 39 GLN HE22 H 1 7.3490 0.02 . 2 . . . A 100 GLN HE22 . 18624 1 439 . 1 1 39 39 GLN C C 13 176.0800 0.3 . 1 . . . A 100 GLN C . 18624 1 440 . 1 1 39 39 GLN CA C 13 56.2980 0.3 . 1 . . . A 100 GLN CA . 18624 1 441 . 1 1 39 39 GLN CB C 13 31.0320 0.3 . 1 . . . A 100 GLN CB . 18624 1 442 . 1 1 39 39 GLN CG C 13 33.9260 0.3 . 1 . . . A 100 GLN CG . 18624 1 443 . 1 1 39 39 GLN N N 15 124.6370 0.2 . 1 . . . A 100 GLN N . 18624 1 444 . 1 1 39 39 GLN NE2 N 15 112.4500 0.2 . 1 . . . A 100 GLN NE2 . 18624 1 445 . 1 1 40 40 PHE H H 1 6.8540 0.02 . 1 . . . A 101 PHE H . 18624 1 446 . 1 1 40 40 PHE HA H 1 4.4070 0.02 . 1 . . . A 101 PHE HA . 18624 1 447 . 1 1 40 40 PHE HB2 H 1 1.6940 0.02 . 2 . . . A 101 PHE HB2 . 18624 1 448 . 1 1 40 40 PHE HB3 H 1 1.1710 0.02 . 2 . . . A 101 PHE HB3 . 18624 1 449 . 1 1 40 40 PHE HD1 H 1 6.3830 0.02 . 3 . . . A 101 PHE HD1 . 18624 1 450 . 1 1 40 40 PHE HD2 H 1 6.3830 0.02 . 3 . . . A 101 PHE HD2 . 18624 1 451 . 1 1 40 40 PHE HE1 H 1 7.3300 0.02 . 3 . . . A 101 PHE HE1 . 18624 1 452 . 1 1 40 40 PHE HE2 H 1 7.3300 0.02 . 3 . . . A 101 PHE HE2 . 18624 1 453 . 1 1 40 40 PHE HZ H 1 7.2660 0.02 . 1 . . . A 101 PHE HZ . 18624 1 454 . 1 1 40 40 PHE C C 13 172.2800 0.3 . 1 . . . A 101 PHE C . 18624 1 455 . 1 1 40 40 PHE CA C 13 56.7070 0.3 . 1 . . . A 101 PHE CA . 18624 1 456 . 1 1 40 40 PHE CB C 13 42.2800 0.3 . 1 . . . A 101 PHE CB . 18624 1 457 . 1 1 40 40 PHE CD1 C 13 131.4400 0.3 . 3 . . . A 101 PHE CD1 . 18624 1 458 . 1 1 40 40 PHE CD2 C 13 131.4400 0.3 . 3 . . . A 101 PHE CD2 . 18624 1 459 . 1 1 40 40 PHE CE1 C 13 131.4800 0.3 . 3 . . . A 101 PHE CE1 . 18624 1 460 . 1 1 40 40 PHE CE2 C 13 131.4800 0.3 . 3 . . . A 101 PHE CE2 . 18624 1 461 . 1 1 40 40 PHE CZ C 13 129.7700 0.3 . 1 . . . A 101 PHE CZ . 18624 1 462 . 1 1 40 40 PHE N N 15 116.5510 0.2 . 1 . . . A 101 PHE N . 18624 1 463 . 1 1 41 41 VAL H H 1 8.6760 0.02 . 1 . . . A 102 VAL H . 18624 1 464 . 1 1 41 41 VAL HA H 1 4.5300 0.02 . 1 . . . A 102 VAL HA . 18624 1 465 . 1 1 41 41 VAL HB H 1 1.4260 0.02 . 1 . . . A 102 VAL HB . 18624 1 466 . 1 1 41 41 VAL HG11 H 1 0.5960 0.02 . 2 . . . A 102 VAL HG11 . 18624 1 467 . 1 1 41 41 VAL HG12 H 1 0.5960 0.02 . 2 . . . A 102 VAL HG12 . 18624 1 468 . 1 1 41 41 VAL HG13 H 1 0.5960 0.02 . 2 . . . A 102 VAL HG13 . 18624 1 469 . 1 1 41 41 VAL HG21 H 1 0.8810 0.02 . 2 . . . A 102 VAL HG21 . 18624 1 470 . 1 1 41 41 VAL HG22 H 1 0.8810 0.02 . 2 . . . A 102 VAL HG22 . 18624 1 471 . 1 1 41 41 VAL HG23 H 1 0.8810 0.02 . 2 . . . A 102 VAL HG23 . 18624 1 472 . 1 1 41 41 VAL C C 13 174.8800 0.3 . 1 . . . A 102 VAL C . 18624 1 473 . 1 1 41 41 VAL CA C 13 60.4990 0.3 . 1 . . . A 102 VAL CA . 18624 1 474 . 1 1 41 41 VAL CB C 13 32.6320 0.3 . 1 . . . A 102 VAL CB . 18624 1 475 . 1 1 41 41 VAL CG1 C 13 22.1240 0.3 . 2 . . . A 102 VAL CG1 . 18624 1 476 . 1 1 41 41 VAL CG2 C 13 22.1240 0.3 . 2 . . . A 102 VAL CG2 . 18624 1 477 . 1 1 41 41 VAL N N 15 127.9360 0.2 . 1 . . . A 102 VAL N . 18624 1 478 . 1 1 42 42 GLY H H 1 8.5450 0.02 . 1 . . . A 103 GLY H . 18624 1 479 . 1 1 42 42 GLY HA2 H 1 3.0220 0.02 . 2 . . . A 103 GLY HA2 . 18624 1 480 . 1 1 42 42 GLY HA3 H 1 4.4630 0.02 . 2 . . . A 103 GLY HA3 . 18624 1 481 . 1 1 42 42 GLY C C 13 171.2400 0.3 . 1 . . . A 103 GLY C . 18624 1 482 . 1 1 42 42 GLY CA C 13 44.5340 0.3 . 1 . . . A 103 GLY CA . 18624 1 483 . 1 1 42 42 GLY N N 15 114.4200 0.2 . 1 . . . A 103 GLY N . 18624 1 484 . 1 1 43 43 ILE H H 1 8.1520 0.02 . 1 . . . A 104 ILE H . 18624 1 485 . 1 1 43 43 ILE HA H 1 5.0290 0.02 . 1 . . . A 104 ILE HA . 18624 1 486 . 1 1 43 43 ILE HB H 1 1.5060 0.02 . 1 . . . A 104 ILE HB . 18624 1 487 . 1 1 43 43 ILE HG12 H 1 0.7430 0.02 . 2 . . . A 104 ILE HG12 . 18624 1 488 . 1 1 43 43 ILE HG13 H 1 1.3370 0.02 . 2 . . . A 104 ILE HG13 . 18624 1 489 . 1 1 43 43 ILE HG21 H 1 0.8550 0.02 . 1 . . . A 104 ILE HG21 . 18624 1 490 . 1 1 43 43 ILE HG22 H 1 0.8550 0.02 . 1 . . . A 104 ILE HG22 . 18624 1 491 . 1 1 43 43 ILE HG23 H 1 0.8550 0.02 . 1 . . . A 104 ILE HG23 . 18624 1 492 . 1 1 43 43 ILE HD11 H 1 0.4630 0.02 . 1 . . . A 104 ILE HD11 . 18624 1 493 . 1 1 43 43 ILE HD12 H 1 0.4630 0.02 . 1 . . . A 104 ILE HD12 . 18624 1 494 . 1 1 43 43 ILE HD13 H 1 0.4630 0.02 . 1 . . . A 104 ILE HD13 . 18624 1 495 . 1 1 43 43 ILE C C 13 176.4000 0.3 . 1 . . . A 104 ILE C . 18624 1 496 . 1 1 43 43 ILE CA C 13 59.7350 0.3 . 1 . . . A 104 ILE CA . 18624 1 497 . 1 1 43 43 ILE CB C 13 41.9000 0.3 . 1 . . . A 104 ILE CB . 18624 1 498 . 1 1 43 43 ILE CG1 C 13 26.7920 0.3 . 1 . . . A 104 ILE CG1 . 18624 1 499 . 1 1 43 43 ILE CG2 C 13 19.6570 0.3 . 1 . . . A 104 ILE CG2 . 18624 1 500 . 1 1 43 43 ILE CD1 C 13 13.7020 0.3 . 1 . . . A 104 ILE CD1 . 18624 1 501 . 1 1 43 43 ILE N N 15 113.0360 0.2 . 1 . . . A 104 ILE N . 18624 1 502 . 1 1 44 44 SER H H 1 8.7940 0.02 . 1 . . . A 105 SER H . 18624 1 503 . 1 1 44 44 SER HA H 1 4.7570 0.02 . 1 . . . A 105 SER HA . 18624 1 504 . 1 1 44 44 SER HB2 H 1 4.0960 0.02 . 2 . . . A 105 SER HB2 . 18624 1 505 . 1 1 44 44 SER HB3 H 1 3.2420 0.02 . 2 . . . A 105 SER HB3 . 18624 1 506 . 1 1 44 44 SER C C 13 173.8600 0.3 . 1 . . . A 105 SER C . 18624 1 507 . 1 1 44 44 SER CA C 13 56.5300 0.3 . 1 . . . A 105 SER CA . 18624 1 508 . 1 1 44 44 SER CB C 13 64.8540 0.3 . 1 . . . A 105 SER CB . 18624 1 509 . 1 1 44 44 SER N N 15 115.3350 0.2 . 1 . . . A 105 SER N . 18624 1 510 . 1 1 45 45 ARG H H 1 8.8200 0.02 . 1 . . . A 106 ARG H . 18624 1 511 . 1 1 45 45 ARG HA H 1 4.5210 0.02 . 1 . . . A 106 ARG HA . 18624 1 512 . 1 1 45 45 ARG HB2 H 1 1.9540 0.02 . 2 . . . A 106 ARG HB2 . 18624 1 513 . 1 1 45 45 ARG HB3 H 1 1.7210 0.02 . 2 . . . A 106 ARG HB3 . 18624 1 514 . 1 1 45 45 ARG HG2 H 1 1.6190 0.02 . 2 . . . A 106 ARG HG2 . 18624 1 515 . 1 1 45 45 ARG HG3 H 1 1.6870 0.02 . 2 . . . A 106 ARG HG3 . 18624 1 516 . 1 1 45 45 ARG HD2 H 1 3.1730 0.02 . 2 . . . A 106 ARG HD2 . 18624 1 517 . 1 1 45 45 ARG HD3 H 1 3.1730 0.02 . 2 . . . A 106 ARG HD3 . 18624 1 518 . 1 1 45 45 ARG C C 13 175.8300 0.3 . 1 . . . A 106 ARG C . 18624 1 519 . 1 1 45 45 ARG CA C 13 55.9560 0.3 . 1 . . . A 106 ARG CA . 18624 1 520 . 1 1 45 45 ARG CB C 13 29.7530 0.3 . 1 . . . A 106 ARG CB . 18624 1 521 . 1 1 45 45 ARG CG C 13 27.3060 0.3 . 1 . . . A 106 ARG CG . 18624 1 522 . 1 1 45 45 ARG CD C 13 42.2320 0.3 . 1 . . . A 106 ARG CD . 18624 1 523 . 1 1 45 45 ARG N N 15 123.2890 0.2 . 1 . . . A 106 ARG N . 18624 1 524 . 1 1 46 46 ASN H H 1 8.8420 0.02 . 1 . . . A 107 ASN H . 18624 1 525 . 1 1 46 46 ASN HA H 1 4.2490 0.02 . 1 . . . A 107 ASN HA . 18624 1 526 . 1 1 46 46 ASN HB2 H 1 2.6490 0.02 . 2 . . . A 107 ASN HB2 . 18624 1 527 . 1 1 46 46 ASN HB3 H 1 2.7450 0.02 . 2 . . . A 107 ASN HB3 . 18624 1 528 . 1 1 46 46 ASN HD21 H 1 6.8140 0.02 . 2 . . . A 107 ASN HD21 . 18624 1 529 . 1 1 46 46 ASN HD22 H 1 7.4000 0.02 . 2 . . . A 107 ASN HD22 . 18624 1 530 . 1 1 46 46 ASN C C 13 175.1600 0.3 . 1 . . . A 107 ASN C . 18624 1 531 . 1 1 46 46 ASN CA C 13 52.7850 0.3 . 1 . . . A 107 ASN CA . 18624 1 532 . 1 1 46 46 ASN CB C 13 37.4320 0.3 . 1 . . . A 107 ASN CB . 18624 1 533 . 1 1 46 46 ASN N N 15 117.9620 0.2 . 1 . . . A 107 ASN N . 18624 1 534 . 1 1 46 46 ASN ND2 N 15 110.0670 0.2 . 1 . . . A 107 ASN ND2 . 18624 1 535 . 1 1 47 47 ILE H H 1 8.9840 0.02 . 1 . . . A 108 ILE H . 18624 1 536 . 1 1 47 47 ILE HA H 1 3.1390 0.02 . 1 . . . A 108 ILE HA . 18624 1 537 . 1 1 47 47 ILE HB H 1 1.7300 0.02 . 1 . . . A 108 ILE HB . 18624 1 538 . 1 1 47 47 ILE HG12 H 1 0.6720 0.02 . 2 . . . A 108 ILE HG12 . 18624 1 539 . 1 1 47 47 ILE HG13 H 1 1.9120 0.02 . 2 . . . A 108 ILE HG13 . 18624 1 540 . 1 1 47 47 ILE HG21 H 1 0.6510 0.02 . 1 . . . A 108 ILE HG21 . 18624 1 541 . 1 1 47 47 ILE HG22 H 1 0.6510 0.02 . 1 . . . A 108 ILE HG22 . 18624 1 542 . 1 1 47 47 ILE HG23 H 1 0.6510 0.02 . 1 . . . A 108 ILE HG23 . 18624 1 543 . 1 1 47 47 ILE HD11 H 1 0.6510 0.02 . 1 . . . A 108 ILE HD11 . 18624 1 544 . 1 1 47 47 ILE HD12 H 1 0.6510 0.02 . 1 . . . A 108 ILE HD12 . 18624 1 545 . 1 1 47 47 ILE HD13 H 1 0.6510 0.02 . 1 . . . A 108 ILE HD13 . 18624 1 546 . 1 1 47 47 ILE C C 13 176.7900 0.3 . 1 . . . A 108 ILE C . 18624 1 547 . 1 1 47 47 ILE CA C 13 66.6810 0.3 . 1 . . . A 108 ILE CA . 18624 1 548 . 1 1 47 47 ILE CB C 13 38.3740 0.3 . 1 . . . A 108 ILE CB . 18624 1 549 . 1 1 47 47 ILE CG1 C 13 29.9270 0.3 . 1 . . . A 108 ILE CG1 . 18624 1 550 . 1 1 47 47 ILE CG2 C 13 17.7380 0.3 . 1 . . . A 108 ILE CG2 . 18624 1 551 . 1 1 47 47 ILE CD1 C 13 14.6510 0.3 . 1 . . . A 108 ILE CD1 . 18624 1 552 . 1 1 47 47 ILE N N 15 125.9090 0.2 . 1 . . . A 108 ILE N . 18624 1 553 . 1 1 48 48 ALA H H 1 7.7430 0.02 . 1 . . . A 109 ALA H . 18624 1 554 . 1 1 48 48 ALA HA H 1 3.6650 0.02 . 1 . . . A 109 ALA HA . 18624 1 555 . 1 1 48 48 ALA HB1 H 1 1.2890 0.02 . 1 . . . A 109 ALA HB1 . 18624 1 556 . 1 1 48 48 ALA HB2 H 1 1.2890 0.02 . 1 . . . A 109 ALA HB2 . 18624 1 557 . 1 1 48 48 ALA HB3 H 1 1.2890 0.02 . 1 . . . A 109 ALA HB3 . 18624 1 558 . 1 1 48 48 ALA C C 13 180.1500 0.3 . 1 . . . A 109 ALA C . 18624 1 559 . 1 1 48 48 ALA CA C 13 56.0040 0.3 . 1 . . . A 109 ALA CA . 18624 1 560 . 1 1 48 48 ALA CB C 13 17.8200 0.3 . 1 . . . A 109 ALA CB . 18624 1 561 . 1 1 48 48 ALA N N 15 120.7060 0.2 . 1 . . . A 109 ALA N . 18624 1 562 . 1 1 49 49 ALA H H 1 7.4330 0.02 . 1 . . . A 110 ALA H . 18624 1 563 . 1 1 49 49 ALA HA H 1 4.0290 0.02 . 1 . . . A 110 ALA HA . 18624 1 564 . 1 1 49 49 ALA HB1 H 1 1.3090 0.02 . 1 . . . A 110 ALA HB1 . 18624 1 565 . 1 1 49 49 ALA HB2 H 1 1.3090 0.02 . 1 . . . A 110 ALA HB2 . 18624 1 566 . 1 1 49 49 ALA HB3 H 1 1.3090 0.02 . 1 . . . A 110 ALA HB3 . 18624 1 567 . 1 1 49 49 ALA C C 13 181.5000 0.3 . 1 . . . A 110 ALA C . 18624 1 568 . 1 1 49 49 ALA CA C 13 54.4570 0.3 . 1 . . . A 110 ALA CA . 18624 1 569 . 1 1 49 49 ALA CB C 13 17.7320 0.3 . 1 . . . A 110 ALA CB . 18624 1 570 . 1 1 49 49 ALA N N 15 120.7720 0.2 . 1 . . . A 110 ALA N . 18624 1 571 . 1 1 50 50 SER H H 1 8.1520 0.02 . 1 . . . A 111 SER H . 18624 1 572 . 1 1 50 50 SER HA H 1 3.9670 0.02 . 1 . . . A 111 SER HA . 18624 1 573 . 1 1 50 50 SER HB2 H 1 3.5720 0.02 . 2 . . . A 111 SER HB2 . 18624 1 574 . 1 1 50 50 SER HB3 H 1 3.5720 0.02 . 2 . . . A 111 SER HB3 . 18624 1 575 . 1 1 50 50 SER C C 13 174.8300 0.3 . 1 . . . A 111 SER C . 18624 1 576 . 1 1 50 50 SER CA C 13 62.6670 0.3 . 1 . . . A 111 SER CA . 18624 1 577 . 1 1 50 50 SER CB C 13 61.7940 0.3 . 1 . . . A 111 SER CB . 18624 1 578 . 1 1 50 50 SER N N 15 118.2970 0.2 . 1 . . . A 111 SER N . 18624 1 579 . 1 1 51 51 VAL H H 1 8.6060 0.02 . 1 . . . A 112 VAL H . 18624 1 580 . 1 1 51 51 VAL HA H 1 3.4710 0.02 . 1 . . . A 112 VAL HA . 18624 1 581 . 1 1 51 51 VAL HB H 1 2.0030 0.02 . 1 . . . A 112 VAL HB . 18624 1 582 . 1 1 51 51 VAL HG11 H 1 0.9140 0.02 . 2 . . . A 112 VAL HG11 . 18624 1 583 . 1 1 51 51 VAL HG12 H 1 0.9140 0.02 . 2 . . . A 112 VAL HG12 . 18624 1 584 . 1 1 51 51 VAL HG13 H 1 0.9140 0.02 . 2 . . . A 112 VAL HG13 . 18624 1 585 . 1 1 51 51 VAL HG21 H 1 0.7500 0.02 . 2 . . . A 112 VAL HG21 . 18624 1 586 . 1 1 51 51 VAL HG22 H 1 0.7500 0.02 . 2 . . . A 112 VAL HG22 . 18624 1 587 . 1 1 51 51 VAL HG23 H 1 0.7500 0.02 . 2 . . . A 112 VAL HG23 . 18624 1 588 . 1 1 51 51 VAL C C 13 177.6400 0.3 . 1 . . . A 112 VAL C . 18624 1 589 . 1 1 51 51 VAL CA C 13 67.4130 0.3 . 1 . . . A 112 VAL CA . 18624 1 590 . 1 1 51 51 VAL CB C 13 30.8880 0.3 . 1 . . . A 112 VAL CB . 18624 1 591 . 1 1 51 51 VAL CG1 C 13 21.8310 0.3 . 2 . . . A 112 VAL CG1 . 18624 1 592 . 1 1 51 51 VAL CG2 C 13 24.2130 0.3 . 2 . . . A 112 VAL CG2 . 18624 1 593 . 1 1 51 51 VAL N N 15 120.7530 0.2 . 1 . . . A 112 VAL N . 18624 1 594 . 1 1 52 52 SER H H 1 8.1090 0.02 . 1 . . . A 113 SER H . 18624 1 595 . 1 1 52 52 SER HA H 1 3.9220 0.02 . 1 . . . A 113 SER HA . 18624 1 596 . 1 1 52 52 SER HB2 H 1 4.0420 0.02 . 2 . . . A 113 SER HB2 . 18624 1 597 . 1 1 52 52 SER HB3 H 1 4.0420 0.02 . 2 . . . A 113 SER HB3 . 18624 1 598 . 1 1 52 52 SER C C 13 176.7000 0.3 . 1 . . . A 113 SER C . 18624 1 599 . 1 1 52 52 SER CA C 13 62.5950 0.3 . 1 . . . A 113 SER CA . 18624 1 600 . 1 1 52 52 SER CB C 13 62.5950 0.3 . 1 . . . A 113 SER CB . 18624 1 601 . 1 1 52 52 SER N N 15 114.2140 0.2 . 1 . . . A 113 SER N . 18624 1 602 . 1 1 53 53 ALA H H 1 7.4800 0.02 . 1 . . . A 114 ALA H . 18624 1 603 . 1 1 53 53 ALA HA H 1 4.1300 0.02 . 1 . . . A 114 ALA HA . 18624 1 604 . 1 1 53 53 ALA HB1 H 1 1.3810 0.02 . 1 . . . A 114 ALA HB1 . 18624 1 605 . 1 1 53 53 ALA HB2 H 1 1.3810 0.02 . 1 . . . A 114 ALA HB2 . 18624 1 606 . 1 1 53 53 ALA HB3 H 1 1.3810 0.02 . 1 . . . A 114 ALA HB3 . 18624 1 607 . 1 1 53 53 ALA C C 13 181.8600 0.3 . 1 . . . A 114 ALA C . 18624 1 608 . 1 1 53 53 ALA CA C 13 54.7940 0.3 . 1 . . . A 114 ALA CA . 18624 1 609 . 1 1 53 53 ALA CB C 13 17.7040 0.3 . 1 . . . A 114 ALA CB . 18624 1 610 . 1 1 53 53 ALA N N 15 122.4320 0.2 . 1 . . . A 114 ALA N . 18624 1 611 . 1 1 54 54 HIS H H 1 7.9480 0.02 . 1 . . . A 115 HIS H . 18624 1 612 . 1 1 54 54 HIS HA H 1 4.5980 0.02 . 1 . . . A 115 HIS HA . 18624 1 613 . 1 1 54 54 HIS HB2 H 1 3.0100 0.02 . 2 . . . A 115 HIS HB2 . 18624 1 614 . 1 1 54 54 HIS HB3 H 1 3.4370 0.02 . 2 . . . A 115 HIS HB3 . 18624 1 615 . 1 1 54 54 HIS HD2 H 1 6.7690 0.02 . 1 . . . A 115 HIS HD2 . 18624 1 616 . 1 1 54 54 HIS HE1 H 1 8.0900 0.02 . 1 . . . A 115 HIS HE1 . 18624 1 617 . 1 1 54 54 HIS C C 13 177.1200 0.3 . 1 . . . A 115 HIS C . 18624 1 618 . 1 1 54 54 HIS CA C 13 58.1980 0.3 . 1 . . . A 115 HIS CA . 18624 1 619 . 1 1 54 54 HIS CB C 13 28.6090 0.3 . 1 . . . A 115 HIS CB . 18624 1 620 . 1 1 54 54 HIS CD2 C 13 117.0200 0.3 . 1 . . . A 115 HIS CD2 . 18624 1 621 . 1 1 54 54 HIS CE1 C 13 139.5700 0.3 . 1 . . . A 115 HIS CE1 . 18624 1 622 . 1 1 54 54 HIS N N 15 118.9190 0.2 . 1 . . . A 115 HIS N . 18624 1 623 . 1 1 55 55 LEU H H 1 8.5440 0.02 . 1 . . . A 116 LEU H . 18624 1 624 . 1 1 55 55 LEU HA H 1 4.0190 0.02 . 1 . . . A 116 LEU HA . 18624 1 625 . 1 1 55 55 LEU HB2 H 1 1.7510 0.02 . 2 . . . A 116 LEU HB2 . 18624 1 626 . 1 1 55 55 LEU HB3 H 1 1.7510 0.02 . 2 . . . A 116 LEU HB3 . 18624 1 627 . 1 1 55 55 LEU HG H 1 1.7440 0.02 . 1 . . . A 116 LEU HG . 18624 1 628 . 1 1 55 55 LEU HD21 H 1 0.9370 0.02 . 2 . . . A 116 LEU HD21 . 18624 1 629 . 1 1 55 55 LEU HD22 H 1 0.9370 0.02 . 2 . . . A 116 LEU HD22 . 18624 1 630 . 1 1 55 55 LEU HD23 H 1 0.9370 0.02 . 2 . . . A 116 LEU HD23 . 18624 1 631 . 1 1 55 55 LEU C C 13 178.4700 0.3 . 1 . . . A 116 LEU C . 18624 1 632 . 1 1 55 55 LEU CA C 13 58.2030 0.3 . 1 . . . A 116 LEU CA . 18624 1 633 . 1 1 55 55 LEU CB C 13 41.9880 0.3 . 1 . . . A 116 LEU CB . 18624 1 634 . 1 1 55 55 LEU CG C 13 27.0260 0.3 . 1 . . . A 116 LEU CG . 18624 1 635 . 1 1 55 55 LEU CD1 C 13 24.6500 0.3 . 2 . . . A 116 LEU CD1 . 18624 1 636 . 1 1 55 55 LEU CD2 C 13 24.6500 0.3 . 2 . . . A 116 LEU CD2 . 18624 1 637 . 1 1 55 55 LEU N N 15 119.8180 0.2 . 1 . . . A 116 LEU N . 18624 1 638 . 1 1 56 56 LYS H H 1 7.4620 0.02 . 1 . . . A 117 LYS H . 18624 1 639 . 1 1 56 56 LYS HA H 1 4.1630 0.02 . 1 . . . A 117 LYS HA . 18624 1 640 . 1 1 56 56 LYS HB2 H 1 1.8670 0.02 . 2 . . . A 117 LYS HB2 . 18624 1 641 . 1 1 56 56 LYS HB3 H 1 1.9280 0.02 . 2 . . . A 117 LYS HB3 . 18624 1 642 . 1 1 56 56 LYS HG2 H 1 1.4640 0.02 . 2 . . . A 117 LYS HG2 . 18624 1 643 . 1 1 56 56 LYS HG3 H 1 1.5810 0.02 . 2 . . . A 117 LYS HG3 . 18624 1 644 . 1 1 56 56 LYS HD2 H 1 1.6670 0.02 . 2 . . . A 117 LYS HD2 . 18624 1 645 . 1 1 56 56 LYS HD3 H 1 1.6670 0.02 . 2 . . . A 117 LYS HD3 . 18624 1 646 . 1 1 56 56 LYS HE2 H 1 2.9490 0.02 . 2 . . . A 117 LYS HE2 . 18624 1 647 . 1 1 56 56 LYS HE3 H 1 2.9490 0.02 . 2 . . . A 117 LYS HE3 . 18624 1 648 . 1 1 56 56 LYS C C 13 177.9000 0.3 . 1 . . . A 117 LYS C . 18624 1 649 . 1 1 56 56 LYS CA C 13 57.8260 0.3 . 1 . . . A 117 LYS CA . 18624 1 650 . 1 1 56 56 LYS CB C 13 32.9510 0.3 . 1 . . . A 117 LYS CB . 18624 1 651 . 1 1 56 56 LYS CG C 13 25.0920 0.3 . 1 . . . A 117 LYS CG . 18624 1 652 . 1 1 56 56 LYS CD C 13 29.3440 0.3 . 1 . . . A 117 LYS CD . 18624 1 653 . 1 1 56 56 LYS CE C 13 42.2790 0.3 . 1 . . . A 117 LYS CE . 18624 1 654 . 1 1 56 56 LYS N N 15 115.1920 0.2 . 1 . . . A 117 LYS N . 18624 1 655 . 1 1 57 57 SER H H 1 7.6060 0.02 . 1 . . . A 118 SER H . 18624 1 656 . 1 1 57 57 SER HA H 1 4.5020 0.02 . 1 . . . A 118 SER HA . 18624 1 657 . 1 1 57 57 SER HB2 H 1 3.9280 0.02 . 2 . . . A 118 SER HB2 . 18624 1 658 . 1 1 57 57 SER HB3 H 1 3.9280 0.02 . 2 . . . A 118 SER HB3 . 18624 1 659 . 1 1 57 57 SER C C 13 175.0700 0.3 . 1 . . . A 118 SER C . 18624 1 660 . 1 1 57 57 SER CA C 13 60.5320 0.3 . 1 . . . A 118 SER CA . 18624 1 661 . 1 1 57 57 SER CB C 13 64.7840 0.3 . 1 . . . A 118 SER CB . 18624 1 662 . 1 1 57 57 SER N N 15 112.9940 0.2 . 1 . . . A 118 SER N . 18624 1 663 . 1 1 58 58 VAL H H 1 8.8160 0.02 . 1 . . . A 119 VAL H . 18624 1 664 . 1 1 58 58 VAL HA H 1 4.8100 0.02 . 1 . . . A 119 VAL HA . 18624 1 665 . 1 1 58 58 VAL HB H 1 1.9750 0.02 . 1 . . . A 119 VAL HB . 18624 1 666 . 1 1 58 58 VAL HG11 H 1 0.4540 0.02 . 2 . . . A 119 VAL HG11 . 18624 1 667 . 1 1 58 58 VAL HG12 H 1 0.4540 0.02 . 2 . . . A 119 VAL HG12 . 18624 1 668 . 1 1 58 58 VAL HG13 H 1 0.4540 0.02 . 2 . . . A 119 VAL HG13 . 18624 1 669 . 1 1 58 58 VAL HG21 H 1 0.6490 0.02 . 2 . . . A 119 VAL HG21 . 18624 1 670 . 1 1 58 58 VAL HG22 H 1 0.6490 0.02 . 2 . . . A 119 VAL HG22 . 18624 1 671 . 1 1 58 58 VAL HG23 H 1 0.6490 0.02 . 2 . . . A 119 VAL HG23 . 18624 1 672 . 1 1 58 58 VAL CA C 13 58.2700 0.3 . 1 . . . A 119 VAL CA . 18624 1 673 . 1 1 58 58 VAL CB C 13 32.2630 0.3 . 1 . . . A 119 VAL CB . 18624 1 674 . 1 1 58 58 VAL CG1 C 13 18.9750 0.3 . 2 . . . A 119 VAL CG1 . 18624 1 675 . 1 1 58 58 VAL CG2 C 13 21.9270 0.3 . 2 . . . A 119 VAL CG2 . 18624 1 676 . 1 1 58 58 VAL N N 15 115.7290 0.2 . 1 . . . A 119 VAL N . 18624 1 677 . 1 1 59 59 PRO HA H 1 4.2530 0.02 . 1 . . . A 120 PRO HA . 18624 1 678 . 1 1 59 59 PRO HB2 H 1 2.7000 0.02 . 2 . . . A 120 PRO HB2 . 18624 1 679 . 1 1 59 59 PRO HB3 H 1 1.9670 0.02 . 2 . . . A 120 PRO HB3 . 18624 1 680 . 1 1 59 59 PRO HG2 H 1 2.0210 0.02 . 2 . . . A 120 PRO HG2 . 18624 1 681 . 1 1 59 59 PRO HG3 H 1 2.0210 0.02 . 2 . . . A 120 PRO HG3 . 18624 1 682 . 1 1 59 59 PRO HD2 H 1 3.5960 0.02 . 2 . . . A 120 PRO HD2 . 18624 1 683 . 1 1 59 59 PRO HD3 H 1 3.2640 0.02 . 2 . . . A 120 PRO HD3 . 18624 1 684 . 1 1 59 59 PRO C C 13 179.7200 0.3 . 1 . . . A 120 PRO C . 18624 1 685 . 1 1 59 59 PRO CA C 13 66.0810 0.3 . 1 . . . A 120 PRO CA . 18624 1 686 . 1 1 59 59 PRO CB C 13 30.4640 0.3 . 1 . . . A 120 PRO CB . 18624 1 687 . 1 1 59 59 PRO CG C 13 27.6000 0.3 . 1 . . . A 120 PRO CG . 18624 1 688 . 1 1 59 59 PRO CD C 13 50.2530 0.3 . 1 . . . A 120 PRO CD . 18624 1 689 . 1 1 60 60 GLU H H 1 9.7790 0.02 . 1 . . . A 121 GLU H . 18624 1 690 . 1 1 60 60 GLU HA H 1 4.1910 0.02 . 1 . . . A 121 GLU HA . 18624 1 691 . 1 1 60 60 GLU HB2 H 1 1.9780 0.02 . 2 . . . A 121 GLU HB2 . 18624 1 692 . 1 1 60 60 GLU HB3 H 1 2.1220 0.02 . 2 . . . A 121 GLU HB3 . 18624 1 693 . 1 1 60 60 GLU HG2 H 1 2.4220 0.02 . 2 . . . A 121 GLU HG2 . 18624 1 694 . 1 1 60 60 GLU HG3 H 1 2.4220 0.02 . 2 . . . A 121 GLU HG3 . 18624 1 695 . 1 1 60 60 GLU C C 13 177.5200 0.3 . 1 . . . A 121 GLU C . 18624 1 696 . 1 1 60 60 GLU CA C 13 58.5590 0.3 . 1 . . . A 121 GLU CA . 18624 1 697 . 1 1 60 60 GLU CB C 13 28.1560 0.3 . 1 . . . A 121 GLU CB . 18624 1 698 . 1 1 60 60 GLU CG C 13 35.7800 0.3 . 1 . . . A 121 GLU CG . 18624 1 699 . 1 1 60 60 GLU N N 15 117.2930 0.2 . 1 . . . A 121 GLU N . 18624 1 700 . 1 1 61 61 LEU H H 1 7.8070 0.02 . 1 . . . A 122 LEU H . 18624 1 701 . 1 1 61 61 LEU HA H 1 4.6350 0.02 . 1 . . . A 122 LEU HA . 18624 1 702 . 1 1 61 61 LEU HB2 H 1 1.8560 0.02 . 2 . . . A 122 LEU HB2 . 18624 1 703 . 1 1 61 61 LEU HB3 H 1 1.8560 0.02 . 2 . . . A 122 LEU HB3 . 18624 1 704 . 1 1 61 61 LEU HG H 1 1.5730 0.02 . 1 . . . A 122 LEU HG . 18624 1 705 . 1 1 61 61 LEU HD11 H 1 0.9250 0.02 . 2 . . . A 122 LEU HD11 . 18624 1 706 . 1 1 61 61 LEU HD12 H 1 0.9250 0.02 . 2 . . . A 122 LEU HD12 . 18624 1 707 . 1 1 61 61 LEU HD13 H 1 0.9250 0.02 . 2 . . . A 122 LEU HD13 . 18624 1 708 . 1 1 61 61 LEU C C 13 174.6600 0.3 . 1 . . . A 122 LEU C . 18624 1 709 . 1 1 61 61 LEU CA C 13 54.3770 0.3 . 1 . . . A 122 LEU CA . 18624 1 710 . 1 1 61 61 LEU CB C 13 43.3680 0.3 . 1 . . . A 122 LEU CB . 18624 1 711 . 1 1 61 61 LEU CG C 13 26.2000 0.3 . 1 . . . A 122 LEU CG . 18624 1 712 . 1 1 61 61 LEU CD1 C 13 22.2180 0.3 . 2 . . . A 122 LEU CD1 . 18624 1 713 . 1 1 61 61 LEU N N 15 118.9650 0.2 . 1 . . . A 122 LEU N . 18624 1 714 . 1 1 62 62 CYS H H 1 7.0790 0.02 . 1 . . . A 123 CYS H . 18624 1 715 . 1 1 62 62 CYS HA H 1 4.5350 0.02 . 1 . . . A 123 CYS HA . 18624 1 716 . 1 1 62 62 CYS HB2 H 1 2.3520 0.02 . 2 . . . A 123 CYS HB2 . 18624 1 717 . 1 1 62 62 CYS HB3 H 1 3.1270 0.02 . 2 . . . A 123 CYS HB3 . 18624 1 718 . 1 1 62 62 CYS C C 13 173.8000 0.3 . 1 . . . A 123 CYS C . 18624 1 719 . 1 1 62 62 CYS CA C 13 58.1590 0.3 . 1 . . . A 123 CYS CA . 18624 1 720 . 1 1 62 62 CYS CB C 13 28.8730 0.3 . 1 . . . A 123 CYS CB . 18624 1 721 . 1 1 62 62 CYS N N 15 113.9560 0.2 . 1 . . . A 123 CYS N . 18624 1 722 . 1 1 63 63 GLY H H 1 9.5340 0.02 . 1 . . . A 124 GLY H . 18624 1 723 . 1 1 63 63 GLY HA2 H 1 3.4280 0.02 . 2 . . . A 124 GLY HA2 . 18624 1 724 . 1 1 63 63 GLY HA3 H 1 4.4040 0.02 . 2 . . . A 124 GLY HA3 . 18624 1 725 . 1 1 63 63 GLY C C 13 173.8600 0.3 . 1 . . . A 124 GLY C . 18624 1 726 . 1 1 63 63 GLY CA C 13 46.3560 0.3 . 1 . . . A 124 GLY CA . 18624 1 727 . 1 1 63 63 GLY N N 15 112.1890 0.2 . 1 . . . A 124 GLY N . 18624 1 728 . 1 1 64 64 SER H H 1 8.7470 0.02 . 1 . . . A 125 SER H . 18624 1 729 . 1 1 64 64 SER HA H 1 5.1340 0.02 . 1 . . . A 125 SER HA . 18624 1 730 . 1 1 64 64 SER HB2 H 1 3.4850 0.02 . 2 . . . A 125 SER HB2 . 18624 1 731 . 1 1 64 64 SER HB3 H 1 3.8780 0.02 . 2 . . . A 125 SER HB3 . 18624 1 732 . 1 1 64 64 SER C C 13 172.0300 0.3 . 1 . . . A 125 SER C . 18624 1 733 . 1 1 64 64 SER CA C 13 58.7600 0.3 . 1 . . . A 125 SER CA . 18624 1 734 . 1 1 64 64 SER CB C 13 66.4300 0.3 . 1 . . . A 125 SER CB . 18624 1 735 . 1 1 64 64 SER N N 15 116.6060 0.2 . 1 . . . A 125 SER N . 18624 1 736 . 1 1 65 65 VAL H H 1 9.5640 0.02 . 1 . . . A 126 VAL H . 18624 1 737 . 1 1 65 65 VAL HA H 1 6.1240 0.02 . 1 . . . A 126 VAL HA . 18624 1 738 . 1 1 65 65 VAL HB H 1 2.1710 0.02 . 1 . . . A 126 VAL HB . 18624 1 739 . 1 1 65 65 VAL HG11 H 1 1.0750 0.02 . 2 . . . A 126 VAL HG11 . 18624 1 740 . 1 1 65 65 VAL HG12 H 1 1.0750 0.02 . 2 . . . A 126 VAL HG12 . 18624 1 741 . 1 1 65 65 VAL HG13 H 1 1.0750 0.02 . 2 . . . A 126 VAL HG13 . 18624 1 742 . 1 1 65 65 VAL HG21 H 1 1.0750 0.02 . 2 . . . A 126 VAL HG21 . 18624 1 743 . 1 1 65 65 VAL HG22 H 1 1.0750 0.02 . 2 . . . A 126 VAL HG22 . 18624 1 744 . 1 1 65 65 VAL HG23 H 1 1.0750 0.02 . 2 . . . A 126 VAL HG23 . 18624 1 745 . 1 1 65 65 VAL C C 13 174.2000 0.3 . 1 . . . A 126 VAL C . 18624 1 746 . 1 1 65 65 VAL CA C 13 58.7900 0.3 . 1 . . . A 126 VAL CA . 18624 1 747 . 1 1 65 65 VAL CB C 13 37.1090 0.3 . 1 . . . A 126 VAL CB . 18624 1 748 . 1 1 65 65 VAL CG1 C 13 21.5590 0.3 . 2 . . . A 126 VAL CG1 . 18624 1 749 . 1 1 65 65 VAL CG2 C 13 21.5590 0.3 . 2 . . . A 126 VAL CG2 . 18624 1 750 . 1 1 65 65 VAL N N 15 117.7850 0.2 . 1 . . . A 126 VAL N . 18624 1 751 . 1 1 66 66 LYS H H 1 9.0760 0.02 . 1 . . . A 127 LYS H . 18624 1 752 . 1 1 66 66 LYS HA H 1 5.1610 0.02 . 1 . . . A 127 LYS HA . 18624 1 753 . 1 1 66 66 LYS HB3 H 1 1.7390 0.02 . 2 . . . A 127 LYS HB3 . 18624 1 754 . 1 1 66 66 LYS C C 13 176.5000 0.3 . 1 . . . A 127 LYS C . 18624 1 755 . 1 1 66 66 LYS CA C 13 56.2470 0.3 . 1 . . . A 127 LYS CA . 18624 1 756 . 1 1 66 66 LYS CB C 13 37.4020 0.3 . 1 . . . A 127 LYS CB . 18624 1 757 . 1 1 66 66 LYS N N 15 122.0340 0.2 . 1 . . . A 127 LYS N . 18624 1 758 . 1 1 67 67 VAL H H 1 9.2930 0.02 . 1 . . . A 128 VAL H . 18624 1 759 . 1 1 67 67 VAL HA H 1 5.1220 0.02 . 1 . . . A 128 VAL HA . 18624 1 760 . 1 1 67 67 VAL HB H 1 2.1950 0.02 . 1 . . . A 128 VAL HB . 18624 1 761 . 1 1 67 67 VAL HG11 H 1 1.0180 0.02 . 2 . . . A 128 VAL HG11 . 18624 1 762 . 1 1 67 67 VAL HG12 H 1 1.0180 0.02 . 2 . . . A 128 VAL HG12 . 18624 1 763 . 1 1 67 67 VAL HG13 H 1 1.0180 0.02 . 2 . . . A 128 VAL HG13 . 18624 1 764 . 1 1 67 67 VAL HG21 H 1 1.0470 0.02 . 2 . . . A 128 VAL HG21 . 18624 1 765 . 1 1 67 67 VAL HG22 H 1 1.0470 0.02 . 2 . . . A 128 VAL HG22 . 18624 1 766 . 1 1 67 67 VAL HG23 H 1 1.0470 0.02 . 2 . . . A 128 VAL HG23 . 18624 1 767 . 1 1 67 67 VAL C C 13 175.0200 0.3 . 1 . . . A 128 VAL C . 18624 1 768 . 1 1 67 67 VAL CA C 13 61.1150 0.3 . 1 . . . A 128 VAL CA . 18624 1 769 . 1 1 67 67 VAL CB C 13 35.2160 0.3 . 1 . . . A 128 VAL CB . 18624 1 770 . 1 1 67 67 VAL CG1 C 13 20.5270 0.3 . 2 . . . A 128 VAL CG1 . 18624 1 771 . 1 1 67 67 VAL CG2 C 13 22.6360 0.3 . 2 . . . A 128 VAL CG2 . 18624 1 772 . 1 1 67 67 VAL N N 15 117.7880 0.2 . 1 . . . A 128 VAL N . 18624 1 773 . 1 1 68 68 GLY H H 1 9.1820 0.02 . 1 . . . A 129 GLY H . 18624 1 774 . 1 1 68 68 GLY HA2 H 1 2.9840 0.02 . 2 . . . A 129 GLY HA2 . 18624 1 775 . 1 1 68 68 GLY HA3 H 1 4.6010 0.02 . 2 . . . A 129 GLY HA3 . 18624 1 776 . 1 1 68 68 GLY C C 13 171.9300 0.3 . 1 . . . A 129 GLY C . 18624 1 777 . 1 1 68 68 GLY CA C 13 45.6570 0.3 . 1 . . . A 129 GLY CA . 18624 1 778 . 1 1 68 68 GLY N N 15 116.1860 0.2 . 1 . . . A 129 GLY N . 18624 1 779 . 1 1 69 69 ILE H H 1 8.5810 0.02 . 1 . . . A 130 ILE H . 18624 1 780 . 1 1 69 69 ILE HA H 1 4.1070 0.02 . 1 . . . A 130 ILE HA . 18624 1 781 . 1 1 69 69 ILE HB H 1 1.8440 0.02 . 1 . . . A 130 ILE HB . 18624 1 782 . 1 1 69 69 ILE HG12 H 1 1.1000 0.02 . 2 . . . A 130 ILE HG12 . 18624 1 783 . 1 1 69 69 ILE HG13 H 1 1.5580 0.02 . 2 . . . A 130 ILE HG13 . 18624 1 784 . 1 1 69 69 ILE HG21 H 1 0.8980 0.02 . 1 . . . A 130 ILE HG21 . 18624 1 785 . 1 1 69 69 ILE HG22 H 1 0.8980 0.02 . 1 . . . A 130 ILE HG22 . 18624 1 786 . 1 1 69 69 ILE HG23 H 1 0.8980 0.02 . 1 . . . A 130 ILE HG23 . 18624 1 787 . 1 1 69 69 ILE HD11 H 1 0.7890 0.02 . 1 . . . A 130 ILE HD11 . 18624 1 788 . 1 1 69 69 ILE HD12 H 1 0.7890 0.02 . 1 . . . A 130 ILE HD12 . 18624 1 789 . 1 1 69 69 ILE HD13 H 1 0.7890 0.02 . 1 . . . A 130 ILE HD13 . 18624 1 790 . 1 1 69 69 ILE C C 13 176.4900 0.3 . 1 . . . A 130 ILE C . 18624 1 791 . 1 1 69 69 ILE CA C 13 61.7940 0.3 . 1 . . . A 130 ILE CA . 18624 1 792 . 1 1 69 69 ILE CB C 13 37.8300 0.3 . 1 . . . A 130 ILE CB . 18624 1 793 . 1 1 69 69 ILE CG1 C 13 28.0000 0.3 . 1 . . . A 130 ILE CG1 . 18624 1 794 . 1 1 69 69 ILE CG2 C 13 17.7600 0.3 . 1 . . . A 130 ILE CG2 . 18624 1 795 . 1 1 69 69 ILE CD1 C 13 12.5500 0.3 . 1 . . . A 130 ILE CD1 . 18624 1 796 . 1 1 69 69 ILE N N 15 125.2490 0.2 . 1 . . . A 130 ILE N . 18624 1 797 . 1 1 70 70 VAL H H 1 8.5350 0.02 . 1 . . . A 131 VAL H . 18624 1 798 . 1 1 70 70 VAL HA H 1 4.2440 0.02 . 1 . . . A 131 VAL HA . 18624 1 799 . 1 1 70 70 VAL HB H 1 1.7580 0.02 . 1 . . . A 131 VAL HB . 18624 1 800 . 1 1 70 70 VAL HG11 H 1 0.7540 0.02 . 2 . . . A 131 VAL HG11 . 18624 1 801 . 1 1 70 70 VAL HG12 H 1 0.7540 0.02 . 2 . . . A 131 VAL HG12 . 18624 1 802 . 1 1 70 70 VAL HG13 H 1 0.7540 0.02 . 2 . . . A 131 VAL HG13 . 18624 1 803 . 1 1 70 70 VAL HG21 H 1 0.8210 0.02 . 2 . . . A 131 VAL HG21 . 18624 1 804 . 1 1 70 70 VAL HG22 H 1 0.8210 0.02 . 2 . . . A 131 VAL HG22 . 18624 1 805 . 1 1 70 70 VAL HG23 H 1 0.8210 0.02 . 2 . . . A 131 VAL HG23 . 18624 1 806 . 1 1 70 70 VAL C C 13 175.3900 0.3 . 1 . . . A 131 VAL C . 18624 1 807 . 1 1 70 70 VAL CA C 13 60.7940 0.3 . 1 . . . A 131 VAL CA . 18624 1 808 . 1 1 70 70 VAL CB C 13 33.7200 0.3 . 1 . . . A 131 VAL CB . 18624 1 809 . 1 1 70 70 VAL CG1 C 13 21.4200 0.3 . 2 . . . A 131 VAL CG1 . 18624 1 810 . 1 1 70 70 VAL CG2 C 13 21.4200 0.3 . 2 . . . A 131 VAL CG2 . 18624 1 811 . 1 1 70 70 VAL N N 15 127.2930 0.2 . 1 . . . A 131 VAL N . 18624 1 812 . 1 1 71 71 GLU H H 1 8.7470 0.02 . 1 . . . A 132 GLU H . 18624 1 813 . 1 1 71 71 GLU HA H 1 4.1190 0.02 . 1 . . . A 132 GLU HA . 18624 1 814 . 1 1 71 71 GLU HB2 H 1 2.0910 0.02 . 2 . . . A 132 GLU HB2 . 18624 1 815 . 1 1 71 71 GLU HB3 H 1 1.9570 0.02 . 2 . . . A 132 GLU HB3 . 18624 1 816 . 1 1 71 71 GLU HG2 H 1 2.3150 0.02 . 2 . . . A 132 GLU HG2 . 18624 1 817 . 1 1 71 71 GLU HG3 H 1 2.2500 0.02 . 2 . . . A 132 GLU HG3 . 18624 1 818 . 1 1 71 71 GLU C C 13 176.3900 0.3 . 1 . . . A 132 GLU C . 18624 1 819 . 1 1 71 71 GLU CA C 13 57.9960 0.3 . 1 . . . A 132 GLU CA . 18624 1 820 . 1 1 71 71 GLU CB C 13 30.3870 0.3 . 1 . . . A 132 GLU CB . 18624 1 821 . 1 1 71 71 GLU CG C 13 37.0300 0.3 . 1 . . . A 132 GLU CG . 18624 1 822 . 1 1 71 71 GLU N N 15 126.3870 0.2 . 1 . . . A 132 GLU N . 18624 1 823 . 1 1 72 72 GLU H H 1 8.1700 0.02 . 1 . . . A 133 GLU H . 18624 1 824 . 1 1 72 72 GLU HA H 1 4.5560 0.02 . 1 . . . A 133 GLU HA . 18624 1 825 . 1 1 72 72 GLU HB2 H 1 2.0440 0.02 . 2 . . . A 133 GLU HB2 . 18624 1 826 . 1 1 72 72 GLU HB3 H 1 1.9360 0.02 . 2 . . . A 133 GLU HB3 . 18624 1 827 . 1 1 72 72 GLU HG2 H 1 2.2510 0.02 . 2 . . . A 133 GLU HG2 . 18624 1 828 . 1 1 72 72 GLU HG3 H 1 2.2510 0.02 . 2 . . . A 133 GLU HG3 . 18624 1 829 . 1 1 72 72 GLU CA C 13 54.4830 0.3 . 1 . . . A 133 GLU CA . 18624 1 830 . 1 1 72 72 GLU CB C 13 29.8490 0.3 . 1 . . . A 133 GLU CB . 18624 1 831 . 1 1 72 72 GLU CG C 13 36.4000 0.3 . 1 . . . A 133 GLU CG . 18624 1 832 . 1 1 72 72 GLU N N 15 118.7700 0.2 . 1 . . . A 133 GLU N . 18624 1 833 . 1 1 73 73 PRO HA H 1 4.2590 0.02 . 1 . . . A 134 PRO HA . 18624 1 834 . 1 1 73 73 PRO HB2 H 1 2.0550 0.02 . 2 . . . A 134 PRO HB2 . 18624 1 835 . 1 1 73 73 PRO HB3 H 1 1.9880 0.02 . 2 . . . A 134 PRO HB3 . 18624 1 836 . 1 1 73 73 PRO HG2 H 1 2.0770 0.02 . 2 . . . A 134 PRO HG2 . 18624 1 837 . 1 1 73 73 PRO HG3 H 1 2.0010 0.02 . 2 . . . A 134 PRO HG3 . 18624 1 838 . 1 1 73 73 PRO HD2 H 1 3.7540 0.02 . 2 . . . A 134 PRO HD2 . 18624 1 839 . 1 1 73 73 PRO HD3 H 1 3.7540 0.02 . 2 . . . A 134 PRO HD3 . 18624 1 840 . 1 1 73 73 PRO C C 13 176.1700 0.3 . 1 . . . A 134 PRO C . 18624 1 841 . 1 1 73 73 PRO CA C 13 63.3360 0.3 . 1 . . . A 134 PRO CA . 18624 1 842 . 1 1 73 73 PRO CB C 13 30.9570 0.3 . 1 . . . A 134 PRO CB . 18624 1 843 . 1 1 73 73 PRO CG C 13 27.2910 0.3 . 1 . . . A 134 PRO CG . 18624 1 844 . 1 1 73 73 PRO CD C 13 50.6240 0.3 . 1 . . . A 134 PRO CD . 18624 1 845 . 1 1 74 74 ASP H H 1 7.5850 0.02 . 1 . . . A 135 ASP H . 18624 1 846 . 1 1 74 74 ASP HA H 1 4.5530 0.02 . 1 . . . A 135 ASP HA . 18624 1 847 . 1 1 74 74 ASP HB3 H 1 2.7630 0.02 . 2 . . . A 135 ASP HB3 . 18624 1 848 . 1 1 74 74 ASP CA C 13 53.9040 0.3 . 1 . . . A 135 ASP CA . 18624 1 849 . 1 1 74 74 ASP CB C 13 42.3210 0.3 . 1 . . . A 135 ASP CB . 18624 1 850 . 1 1 74 74 ASP N N 15 119.8590 0.2 . 1 . . . A 135 ASP N . 18624 1 851 . 1 1 75 75 LYS HA H 1 3.9220 0.02 . 1 . . . A 136 LYS HA . 18624 1 852 . 1 1 75 75 LYS HB2 H 1 1.8750 0.02 . 2 . . . A 136 LYS HB2 . 18624 1 853 . 1 1 75 75 LYS HB3 H 1 1.8750 0.02 . 2 . . . A 136 LYS HB3 . 18624 1 854 . 1 1 75 75 LYS HG2 H 1 1.5200 0.02 . 2 . . . A 136 LYS HG2 . 18624 1 855 . 1 1 75 75 LYS HG3 H 1 1.5200 0.02 . 2 . . . A 136 LYS HG3 . 18624 1 856 . 1 1 75 75 LYS HD2 H 1 1.6650 0.02 . 2 . . . A 136 LYS HD2 . 18624 1 857 . 1 1 75 75 LYS HD3 H 1 1.6650 0.02 . 2 . . . A 136 LYS HD3 . 18624 1 858 . 1 1 75 75 LYS HE2 H 1 2.9500 0.02 . 2 . . . A 136 LYS HE2 . 18624 1 859 . 1 1 75 75 LYS HE3 H 1 2.9500 0.02 . 2 . . . A 136 LYS HE3 . 18624 1 860 . 1 1 75 75 LYS C C 13 178.3900 0.3 . 1 . . . A 136 LYS C . 18624 1 861 . 1 1 75 75 LYS CA C 13 59.9860 0.3 . 1 . . . A 136 LYS CA . 18624 1 862 . 1 1 75 75 LYS CB C 13 32.3800 0.3 . 1 . . . A 136 LYS CB . 18624 1 863 . 1 1 75 75 LYS CG C 13 24.9310 0.3 . 1 . . . A 136 LYS CG . 18624 1 864 . 1 1 75 75 LYS CD C 13 29.4120 0.3 . 1 . . . A 136 LYS CD . 18624 1 865 . 1 1 75 75 LYS CE C 13 42.3180 0.3 . 1 . . . A 136 LYS CE . 18624 1 866 . 1 1 76 76 ALA H H 1 8.5380 0.02 . 1 . . . A 137 ALA H . 18624 1 867 . 1 1 76 76 ALA HA H 1 4.1740 0.02 . 1 . . . A 137 ALA HA . 18624 1 868 . 1 1 76 76 ALA HB1 H 1 1.4880 0.02 . 1 . . . A 137 ALA HB1 . 18624 1 869 . 1 1 76 76 ALA HB2 H 1 1.4880 0.02 . 1 . . . A 137 ALA HB2 . 18624 1 870 . 1 1 76 76 ALA HB3 H 1 1.4880 0.02 . 1 . . . A 137 ALA HB3 . 18624 1 871 . 1 1 76 76 ALA C C 13 180.6800 0.3 . 1 . . . A 137 ALA C . 18624 1 872 . 1 1 76 76 ALA CA C 13 55.2930 0.3 . 1 . . . A 137 ALA CA . 18624 1 873 . 1 1 76 76 ALA CB C 13 18.1810 0.3 . 1 . . . A 137 ALA CB . 18624 1 874 . 1 1 76 76 ALA N N 15 122.6910 0.2 . 1 . . . A 137 ALA N . 18624 1 875 . 1 1 77 77 VAL H H 1 7.9640 0.02 . 1 . . . A 138 VAL H . 18624 1 876 . 1 1 77 77 VAL HA H 1 3.8000 0.02 . 1 . . . A 138 VAL HA . 18624 1 877 . 1 1 77 77 VAL HB H 1 2.1160 0.02 . 1 . . . A 138 VAL HB . 18624 1 878 . 1 1 77 77 VAL HG11 H 1 1.0210 0.02 . 2 . . . A 138 VAL HG11 . 18624 1 879 . 1 1 77 77 VAL HG12 H 1 1.0210 0.02 . 2 . . . A 138 VAL HG12 . 18624 1 880 . 1 1 77 77 VAL HG13 H 1 1.0210 0.02 . 2 . . . A 138 VAL HG13 . 18624 1 881 . 1 1 77 77 VAL HG21 H 1 1.0730 0.02 . 2 . . . A 138 VAL HG21 . 18624 1 882 . 1 1 77 77 VAL HG22 H 1 1.0730 0.02 . 2 . . . A 138 VAL HG22 . 18624 1 883 . 1 1 77 77 VAL HG23 H 1 1.0730 0.02 . 2 . . . A 138 VAL HG23 . 18624 1 884 . 1 1 77 77 VAL C C 13 179.1800 0.3 . 1 . . . A 138 VAL C . 18624 1 885 . 1 1 77 77 VAL CA C 13 65.7940 0.3 . 1 . . . A 138 VAL CA . 18624 1 886 . 1 1 77 77 VAL CB C 13 31.8100 0.3 . 1 . . . A 138 VAL CB . 18624 1 887 . 1 1 77 77 VAL CG1 C 13 21.9700 0.3 . 2 . . . A 138 VAL CG1 . 18624 1 888 . 1 1 77 77 VAL CG2 C 13 21.9700 0.3 . 2 . . . A 138 VAL CG2 . 18624 1 889 . 1 1 77 77 VAL N N 15 119.3040 0.2 . 1 . . . A 138 VAL N . 18624 1 890 . 1 1 78 78 LEU H H 1 7.9200 0.02 . 1 . . . A 139 LEU H . 18624 1 891 . 1 1 78 78 LEU HA H 1 3.9560 0.02 . 1 . . . A 139 LEU HA . 18624 1 892 . 1 1 78 78 LEU HB2 H 1 1.4330 0.02 . 2 . . . A 139 LEU HB2 . 18624 1 893 . 1 1 78 78 LEU HB3 H 1 1.8810 0.02 . 2 . . . A 139 LEU HB3 . 18624 1 894 . 1 1 78 78 LEU HG H 1 1.8710 0.02 . 1 . . . A 139 LEU HG . 18624 1 895 . 1 1 78 78 LEU HD11 H 1 0.7770 0.02 . 2 . . . A 139 LEU HD11 . 18624 1 896 . 1 1 78 78 LEU HD12 H 1 0.7770 0.02 . 2 . . . A 139 LEU HD12 . 18624 1 897 . 1 1 78 78 LEU HD13 H 1 0.7770 0.02 . 2 . . . A 139 LEU HD13 . 18624 1 898 . 1 1 78 78 LEU HD21 H 1 0.7770 0.02 . 2 . . . A 139 LEU HD21 . 18624 1 899 . 1 1 78 78 LEU HD22 H 1 0.7770 0.02 . 2 . . . A 139 LEU HD22 . 18624 1 900 . 1 1 78 78 LEU HD23 H 1 0.7770 0.02 . 2 . . . A 139 LEU HD23 . 18624 1 901 . 1 1 78 78 LEU C C 13 178.3400 0.3 . 1 . . . A 139 LEU C . 18624 1 902 . 1 1 78 78 LEU CA C 13 58.3870 0.3 . 1 . . . A 139 LEU CA . 18624 1 903 . 1 1 78 78 LEU CB C 13 41.6940 0.3 . 1 . . . A 139 LEU CB . 18624 1 904 . 1 1 78 78 LEU CG C 13 27.0300 0.3 . 1 . . . A 139 LEU CG . 18624 1 905 . 1 1 78 78 LEU CD1 C 13 24.8000 0.3 . 2 . . . A 139 LEU CD1 . 18624 1 906 . 1 1 78 78 LEU CD2 C 13 24.8000 0.3 . 2 . . . A 139 LEU CD2 . 18624 1 907 . 1 1 78 78 LEU N N 15 120.7180 0.2 . 1 . . . A 139 LEU N . 18624 1 908 . 1 1 79 79 THR H H 1 8.1170 0.02 . 1 . . . A 140 THR H . 18624 1 909 . 1 1 79 79 THR HA H 1 3.9030 0.02 . 1 . . . A 140 THR HA . 18624 1 910 . 1 1 79 79 THR HB H 1 4.2740 0.02 . 1 . . . A 140 THR HB . 18624 1 911 . 1 1 79 79 THR HG21 H 1 1.2690 0.02 . 1 . . . A 140 THR HG21 . 18624 1 912 . 1 1 79 79 THR HG22 H 1 1.2690 0.02 . 1 . . . A 140 THR HG22 . 18624 1 913 . 1 1 79 79 THR HG23 H 1 1.2690 0.02 . 1 . . . A 140 THR HG23 . 18624 1 914 . 1 1 79 79 THR C C 13 176.2800 0.3 . 1 . . . A 140 THR C . 18624 1 915 . 1 1 79 79 THR CA C 13 67.3740 0.3 . 1 . . . A 140 THR CA . 18624 1 916 . 1 1 79 79 THR CB C 13 68.6110 0.3 . 1 . . . A 140 THR CB . 18624 1 917 . 1 1 79 79 THR CG2 C 13 21.8910 0.3 . 1 . . . A 140 THR CG2 . 18624 1 918 . 1 1 79 79 THR N N 15 113.9120 0.2 . 1 . . . A 140 THR N . 18624 1 919 . 1 1 80 80 GLN H H 1 7.9050 0.02 . 1 . . . A 141 GLN H . 18624 1 920 . 1 1 80 80 GLN HA H 1 4.1190 0.02 . 1 . . . A 141 GLN HA . 18624 1 921 . 1 1 80 80 GLN HB2 H 1 2.1930 0.02 . 2 . . . A 141 GLN HB2 . 18624 1 922 . 1 1 80 80 GLN HB3 H 1 2.2360 0.02 . 2 . . . A 141 GLN HB3 . 18624 1 923 . 1 1 80 80 GLN HG2 H 1 2.4680 0.02 . 2 . . . A 141 GLN HG2 . 18624 1 924 . 1 1 80 80 GLN HG3 H 1 2.5110 0.02 . 2 . . . A 141 GLN HG3 . 18624 1 925 . 1 1 80 80 GLN HE21 H 1 6.9430 0.02 . 2 . . . A 141 GLN HE21 . 18624 1 926 . 1 1 80 80 GLN HE22 H 1 7.4000 0.02 . 2 . . . A 141 GLN HE22 . 18624 1 927 . 1 1 80 80 GLN C C 13 178.0500 0.3 . 1 . . . A 141 GLN C . 18624 1 928 . 1 1 80 80 GLN CA C 13 59.0500 0.3 . 1 . . . A 141 GLN CA . 18624 1 929 . 1 1 80 80 GLN CB C 13 28.3110 0.3 . 1 . . . A 141 GLN CB . 18624 1 930 . 1 1 80 80 GLN CG C 13 33.8400 0.3 . 1 . . . A 141 GLN CG . 18624 1 931 . 1 1 80 80 GLN N N 15 121.0080 0.2 . 1 . . . A 141 GLN N . 18624 1 932 . 1 1 80 80 GLN NE2 N 15 111.4000 0.2 . 1 . . . A 141 GLN NE2 . 18624 1 933 . 1 1 81 81 ALA H H 1 7.8330 0.02 . 1 . . . A 142 ALA H . 18624 1 934 . 1 1 81 81 ALA HA H 1 3.9810 0.02 . 1 . . . A 142 ALA HA . 18624 1 935 . 1 1 81 81 ALA HB1 H 1 1.2380 0.02 . 1 . . . A 142 ALA HB1 . 18624 1 936 . 1 1 81 81 ALA HB2 H 1 1.2380 0.02 . 1 . . . A 142 ALA HB2 . 18624 1 937 . 1 1 81 81 ALA HB3 H 1 1.2380 0.02 . 1 . . . A 142 ALA HB3 . 18624 1 938 . 1 1 81 81 ALA C C 13 177.7400 0.3 . 1 . . . A 142 ALA C . 18624 1 939 . 1 1 81 81 ALA CA C 13 55.0140 0.3 . 1 . . . A 142 ALA CA . 18624 1 940 . 1 1 81 81 ALA CB C 13 17.8460 0.3 . 1 . . . A 142 ALA CB . 18624 1 941 . 1 1 81 81 ALA N N 15 122.8730 0.2 . 1 . . . A 142 ALA N . 18624 1 942 . 1 1 82 82 TRP H H 1 7.9770 0.02 . 1 . . . A 143 TRP H . 18624 1 943 . 1 1 82 82 TRP HA H 1 3.6230 0.02 . 1 . . . A 143 TRP HA . 18624 1 944 . 1 1 82 82 TRP HB2 H 1 3.5800 0.02 . 2 . . . A 143 TRP HB2 . 18624 1 945 . 1 1 82 82 TRP HB3 H 1 2.9860 0.02 . 2 . . . A 143 TRP HB3 . 18624 1 946 . 1 1 82 82 TRP HD1 H 1 6.5220 0.02 . 1 . . . A 143 TRP HD1 . 18624 1 947 . 1 1 82 82 TRP HE1 H 1 9.1650 0.02 . 1 . . . A 143 TRP HE1 . 18624 1 948 . 1 1 82 82 TRP HE3 H 1 7.5880 0.02 . 1 . . . A 143 TRP HE3 . 18624 1 949 . 1 1 82 82 TRP HZ2 H 1 7.3550 0.02 . 1 . . . A 143 TRP HZ2 . 18624 1 950 . 1 1 82 82 TRP HZ3 H 1 7.0840 0.02 . 1 . . . A 143 TRP HZ3 . 18624 1 951 . 1 1 82 82 TRP HH2 H 1 7.1830 0.02 . 1 . . . A 143 TRP HH2 . 18624 1 952 . 1 1 82 82 TRP C C 13 176.8300 0.3 . 1 . . . A 143 TRP C . 18624 1 953 . 1 1 82 82 TRP CA C 13 62.2100 0.3 . 1 . . . A 143 TRP CA . 18624 1 954 . 1 1 82 82 TRP CB C 13 28.7450 0.3 . 1 . . . A 143 TRP CB . 18624 1 955 . 1 1 82 82 TRP CD1 C 13 125.8000 0.3 . 1 . . . A 143 TRP CD1 . 18624 1 956 . 1 1 82 82 TRP CE3 C 13 120.5000 0.3 . 1 . . . A 143 TRP CE3 . 18624 1 957 . 1 1 82 82 TRP CZ2 C 13 114.5700 0.3 . 1 . . . A 143 TRP CZ2 . 18624 1 958 . 1 1 82 82 TRP CZ3 C 13 122.1000 0.3 . 1 . . . A 143 TRP CZ3 . 18624 1 959 . 1 1 82 82 TRP CH2 C 13 124.6000 0.3 . 1 . . . A 143 TRP CH2 . 18624 1 960 . 1 1 82 82 TRP N N 15 118.2790 0.2 . 1 . . . A 143 TRP N . 18624 1 961 . 1 1 82 82 TRP NE1 N 15 128.0800 0.2 . 1 . . . A 143 TRP NE1 . 18624 1 962 . 1 1 83 83 LYS H H 1 8.4710 0.02 . 1 . . . A 144 LYS H . 18624 1 963 . 1 1 83 83 LYS HA H 1 3.4860 0.02 . 1 . . . A 144 LYS HA . 18624 1 964 . 1 1 83 83 LYS HB2 H 1 2.0160 0.02 . 2 . . . A 144 LYS HB2 . 18624 1 965 . 1 1 83 83 LYS HB3 H 1 1.9490 0.02 . 2 . . . A 144 LYS HB3 . 18624 1 966 . 1 1 83 83 LYS HG2 H 1 1.4740 0.02 . 2 . . . A 144 LYS HG2 . 18624 1 967 . 1 1 83 83 LYS HG3 H 1 1.7720 0.02 . 2 . . . A 144 LYS HG3 . 18624 1 968 . 1 1 83 83 LYS HD2 H 1 1.7560 0.02 . 2 . . . A 144 LYS HD2 . 18624 1 969 . 1 1 83 83 LYS HD3 H 1 1.7560 0.02 . 2 . . . A 144 LYS HD3 . 18624 1 970 . 1 1 83 83 LYS HE2 H 1 3.0380 0.02 . 2 . . . A 144 LYS HE2 . 18624 1 971 . 1 1 83 83 LYS HE3 H 1 3.0380 0.02 . 2 . . . A 144 LYS HE3 . 18624 1 972 . 1 1 83 83 LYS C C 13 178.3400 0.3 . 1 . . . A 144 LYS C . 18624 1 973 . 1 1 83 83 LYS CA C 13 59.3460 0.3 . 1 . . . A 144 LYS CA . 18624 1 974 . 1 1 83 83 LYS CB C 13 32.9220 0.3 . 1 . . . A 144 LYS CB . 18624 1 975 . 1 1 83 83 LYS CG C 13 25.6450 0.3 . 1 . . . A 144 LYS CG . 18624 1 976 . 1 1 83 83 LYS CD C 13 29.9090 0.3 . 1 . . . A 144 LYS CD . 18624 1 977 . 1 1 83 83 LYS CE C 13 42.1400 0.3 . 1 . . . A 144 LYS CE . 18624 1 978 . 1 1 83 83 LYS N N 15 117.4540 0.2 . 1 . . . A 144 LYS N . 18624 1 979 . 1 1 84 84 LEU H H 1 7.9900 0.02 . 1 . . . A 145 LEU H . 18624 1 980 . 1 1 84 84 LEU HA H 1 4.0960 0.02 . 1 . . . A 145 LEU HA . 18624 1 981 . 1 1 84 84 LEU HB2 H 1 1.8980 0.02 . 2 . . . A 145 LEU HB2 . 18624 1 982 . 1 1 84 84 LEU HB3 H 1 1.8980 0.02 . 2 . . . A 145 LEU HB3 . 18624 1 983 . 1 1 84 84 LEU HG H 1 1.8670 0.02 . 1 . . . A 145 LEU HG . 18624 1 984 . 1 1 84 84 LEU HD11 H 1 0.9900 0.02 . 2 . . . A 145 LEU HD11 . 18624 1 985 . 1 1 84 84 LEU HD12 H 1 0.9900 0.02 . 2 . . . A 145 LEU HD12 . 18624 1 986 . 1 1 84 84 LEU HD13 H 1 0.9900 0.02 . 2 . . . A 145 LEU HD13 . 18624 1 987 . 1 1 84 84 LEU HD21 H 1 0.9900 0.02 . 2 . . . A 145 LEU HD21 . 18624 1 988 . 1 1 84 84 LEU HD22 H 1 0.9900 0.02 . 2 . . . A 145 LEU HD22 . 18624 1 989 . 1 1 84 84 LEU HD23 H 1 0.9900 0.02 . 2 . . . A 145 LEU HD23 . 18624 1 990 . 1 1 84 84 LEU C C 13 181.2000 0.3 . 1 . . . A 145 LEU C . 18624 1 991 . 1 1 84 84 LEU CA C 13 58.1900 0.3 . 1 . . . A 145 LEU CA . 18624 1 992 . 1 1 84 84 LEU CB C 13 41.7600 0.3 . 1 . . . A 145 LEU CB . 18624 1 993 . 1 1 84 84 LEU CG C 13 26.9520 0.3 . 1 . . . A 145 LEU CG . 18624 1 994 . 1 1 84 84 LEU CD1 C 13 24.7170 0.3 . 2 . . . A 145 LEU CD1 . 18624 1 995 . 1 1 84 84 LEU CD2 C 13 24.7170 0.3 . 2 . . . A 145 LEU CD2 . 18624 1 996 . 1 1 84 84 LEU N N 15 117.9940 0.2 . 1 . . . A 145 LEU N . 18624 1 997 . 1 1 85 85 TRP H H 1 7.9340 0.02 . 1 . . . A 146 TRP H . 18624 1 998 . 1 1 85 85 TRP HA H 1 4.6770 0.02 . 1 . . . A 146 TRP HA . 18624 1 999 . 1 1 85 85 TRP HB2 H 1 2.8200 0.02 . 2 . . . A 146 TRP HB2 . 18624 1 1000 . 1 1 85 85 TRP HB3 H 1 3.1350 0.02 . 2 . . . A 146 TRP HB3 . 18624 1 1001 . 1 1 85 85 TRP HD1 H 1 6.9790 0.02 . 1 . . . A 146 TRP HD1 . 18624 1 1002 . 1 1 85 85 TRP HE1 H 1 10.6390 0.02 . 1 . . . A 146 TRP HE1 . 18624 1 1003 . 1 1 85 85 TRP HE3 H 1 6.8380 0.02 . 1 . . . A 146 TRP HE3 . 18624 1 1004 . 1 1 85 85 TRP HZ2 H 1 7.2880 0.02 . 1 . . . A 146 TRP HZ2 . 18624 1 1005 . 1 1 85 85 TRP HH2 H 1 6.5780 0.02 . 1 . . . A 146 TRP HH2 . 18624 1 1006 . 1 1 85 85 TRP C C 13 177.6900 0.3 . 1 . . . A 146 TRP C . 18624 1 1007 . 1 1 85 85 TRP CA C 13 60.7860 0.3 . 1 . . . A 146 TRP CA . 18624 1 1008 . 1 1 85 85 TRP CB C 13 29.8860 0.3 . 1 . . . A 146 TRP CB . 18624 1 1009 . 1 1 85 85 TRP CD1 C 13 123.3000 0.3 . 1 . . . A 146 TRP CD1 . 18624 1 1010 . 1 1 85 85 TRP CE3 C 13 119.3000 0.3 . 1 . . . A 146 TRP CE3 . 18624 1 1011 . 1 1 85 85 TRP CZ2 C 13 114.0360 0.3 . 1 . . . A 146 TRP CZ2 . 18624 1 1012 . 1 1 85 85 TRP CH2 C 13 123.4000 0.3 . 1 . . . A 146 TRP CH2 . 18624 1 1013 . 1 1 85 85 TRP N N 15 121.0050 0.2 . 1 . . . A 146 TRP N . 18624 1 1014 . 1 1 85 85 TRP NE1 N 15 129.2200 0.2 . 1 . . . A 146 TRP NE1 . 18624 1 1015 . 1 1 86 86 ILE H H 1 8.2930 0.02 . 1 . . . A 147 ILE H . 18624 1 1016 . 1 1 86 86 ILE HA H 1 3.5210 0.02 . 1 . . . A 147 ILE HA . 18624 1 1017 . 1 1 86 86 ILE HB H 1 0.9970 0.02 . 1 . . . A 147 ILE HB . 18624 1 1018 . 1 1 86 86 ILE HG12 H 1 0.5610 0.02 . 2 . . . A 147 ILE HG12 . 18624 1 1019 . 1 1 86 86 ILE HG13 H 1 0.6670 0.02 . 2 . . . A 147 ILE HG13 . 18624 1 1020 . 1 1 86 86 ILE HG21 H 1 0.2620 0.02 . 1 . . . A 147 ILE HG21 . 18624 1 1021 . 1 1 86 86 ILE HG22 H 1 0.2620 0.02 . 1 . . . A 147 ILE HG22 . 18624 1 1022 . 1 1 86 86 ILE HG23 H 1 0.2620 0.02 . 1 . . . A 147 ILE HG23 . 18624 1 1023 . 1 1 86 86 ILE HD11 H 1 0.2790 0.02 . 1 . . . A 147 ILE HD11 . 18624 1 1024 . 1 1 86 86 ILE HD12 H 1 0.2790 0.02 . 1 . . . A 147 ILE HD12 . 18624 1 1025 . 1 1 86 86 ILE HD13 H 1 0.2790 0.02 . 1 . . . A 147 ILE HD13 . 18624 1 1026 . 1 1 86 86 ILE C C 13 177.6400 0.3 . 1 . . . A 147 ILE C . 18624 1 1027 . 1 1 86 86 ILE CA C 13 65.1470 0.3 . 1 . . . A 147 ILE CA . 18624 1 1028 . 1 1 86 86 ILE CB C 13 36.8840 0.3 . 1 . . . A 147 ILE CB . 18624 1 1029 . 1 1 86 86 ILE CG1 C 13 28.9820 0.3 . 1 . . . A 147 ILE CG1 . 18624 1 1030 . 1 1 86 86 ILE CG2 C 13 16.2290 0.3 . 1 . . . A 147 ILE CG2 . 18624 1 1031 . 1 1 86 86 ILE CD1 C 13 12.3420 0.3 . 1 . . . A 147 ILE CD1 . 18624 1 1032 . 1 1 86 86 ILE N N 15 118.6800 0.2 . 1 . . . A 147 ILE N . 18624 1 1033 . 1 1 87 87 GLU H H 1 8.5570 0.02 . 1 . . . A 148 GLU H . 18624 1 1034 . 1 1 87 87 GLU HA H 1 3.8460 0.02 . 1 . . . A 148 GLU HA . 18624 1 1035 . 1 1 87 87 GLU HB2 H 1 2.1740 0.02 . 2 . . . A 148 GLU HB2 . 18624 1 1036 . 1 1 87 87 GLU HB3 H 1 1.9460 0.02 . 2 . . . A 148 GLU HB3 . 18624 1 1037 . 1 1 87 87 GLU HG2 H 1 2.1940 0.02 . 2 . . . A 148 GLU HG2 . 18624 1 1038 . 1 1 87 87 GLU HG3 H 1 2.5150 0.02 . 2 . . . A 148 GLU HG3 . 18624 1 1039 . 1 1 87 87 GLU C C 13 179.6500 0.3 . 1 . . . A 148 GLU C . 18624 1 1040 . 1 1 87 87 GLU CA C 13 59.9660 0.3 . 1 . . . A 148 GLU CA . 18624 1 1041 . 1 1 87 87 GLU CB C 13 28.7560 0.3 . 1 . . . A 148 GLU CB . 18624 1 1042 . 1 1 87 87 GLU CG C 13 37.8300 0.3 . 1 . . . A 148 GLU CG . 18624 1 1043 . 1 1 87 87 GLU N N 15 118.6800 0.2 . 1 . . . A 148 GLU N . 18624 1 1044 . 1 1 88 88 GLU H H 1 7.8030 0.02 . 1 . . . A 149 GLU H . 18624 1 1045 . 1 1 88 88 GLU HA H 1 4.0670 0.02 . 1 . . . A 149 GLU HA . 18624 1 1046 . 1 1 88 88 GLU HB2 H 1 2.1920 0.02 . 2 . . . A 149 GLU HB2 . 18624 1 1047 . 1 1 88 88 GLU HB3 H 1 2.2730 0.02 . 2 . . . A 149 GLU HB3 . 18624 1 1048 . 1 1 88 88 GLU HG2 H 1 2.0720 0.02 . 2 . . . A 149 GLU HG2 . 18624 1 1049 . 1 1 88 88 GLU HG3 H 1 2.4350 0.02 . 2 . . . A 149 GLU HG3 . 18624 1 1050 . 1 1 88 88 GLU C C 13 178.1200 0.3 . 1 . . . A 149 GLU C . 18624 1 1051 . 1 1 88 88 GLU CA C 13 59.6600 0.3 . 1 . . . A 149 GLU CA . 18624 1 1052 . 1 1 88 88 GLU CB C 13 29.7460 0.3 . 1 . . . A 149 GLU CB . 18624 1 1053 . 1 1 88 88 GLU CG C 13 36.4200 0.3 . 1 . . . A 149 GLU CG . 18624 1 1054 . 1 1 88 88 GLU N N 15 121.9160 0.2 . 1 . . . A 149 GLU N . 18624 1 1055 . 1 1 89 89 HIS H H 1 7.7180 0.02 . 1 . . . A 150 HIS H . 18624 1 1056 . 1 1 89 89 HIS HA H 1 4.1300 0.02 . 1 . . . A 150 HIS HA . 18624 1 1057 . 1 1 89 89 HIS HB2 H 1 2.6910 0.02 . 2 . . . A 150 HIS HB2 . 18624 1 1058 . 1 1 89 89 HIS HB3 H 1 3.0240 0.02 . 2 . . . A 150 HIS HB3 . 18624 1 1059 . 1 1 89 89 HIS HD2 H 1 6.9260 0.02 . 1 . . . A 150 HIS HD2 . 18624 1 1060 . 1 1 89 89 HIS HE1 H 1 7.8400 0.02 . 1 . . . A 150 HIS HE1 . 18624 1 1061 . 1 1 89 89 HIS C C 13 179.5400 0.3 . 1 . . . A 150 HIS C . 18624 1 1062 . 1 1 89 89 HIS CA C 13 60.5340 0.3 . 1 . . . A 150 HIS CA . 18624 1 1063 . 1 1 89 89 HIS CB C 13 30.8350 0.3 . 1 . . . A 150 HIS CB . 18624 1 1064 . 1 1 89 89 HIS CD2 C 13 118.1200 0.3 . 1 . . . A 150 HIS CD2 . 18624 1 1065 . 1 1 89 89 HIS CE1 C 13 139.7200 0.3 . 1 . . . A 150 HIS CE1 . 18624 1 1066 . 1 1 89 89 HIS N N 15 118.4270 0.2 . 1 . . . A 150 HIS N . 18624 1 1067 . 1 1 90 90 ILE H H 1 8.4970 0.02 . 1 . . . A 151 ILE H . 18624 1 1068 . 1 1 90 90 ILE HA H 1 3.4760 0.02 . 1 . . . A 151 ILE HA . 18624 1 1069 . 1 1 90 90 ILE HB H 1 1.6630 0.02 . 1 . . . A 151 ILE HB . 18624 1 1070 . 1 1 90 90 ILE HG12 H 1 1.8250 0.02 . 2 . . . A 151 ILE HG12 . 18624 1 1071 . 1 1 90 90 ILE HG13 H 1 1.8250 0.02 . 2 . . . A 151 ILE HG13 . 18624 1 1072 . 1 1 90 90 ILE HG21 H 1 0.7000 0.02 . 1 . . . A 151 ILE HG21 . 18624 1 1073 . 1 1 90 90 ILE HG22 H 1 0.7000 0.02 . 1 . . . A 151 ILE HG22 . 18624 1 1074 . 1 1 90 90 ILE HG23 H 1 0.7000 0.02 . 1 . . . A 151 ILE HG23 . 18624 1 1075 . 1 1 90 90 ILE HD11 H 1 0.7030 0.02 . 1 . . . A 151 ILE HD11 . 18624 1 1076 . 1 1 90 90 ILE HD12 H 1 0.7030 0.02 . 1 . . . A 151 ILE HD12 . 18624 1 1077 . 1 1 90 90 ILE HD13 H 1 0.7030 0.02 . 1 . . . A 151 ILE HD13 . 18624 1 1078 . 1 1 90 90 ILE C C 13 179.4400 0.3 . 1 . . . A 151 ILE C . 18624 1 1079 . 1 1 90 90 ILE CA C 13 65.3060 0.3 . 1 . . . A 151 ILE CA . 18624 1 1080 . 1 1 90 90 ILE CB C 13 38.3770 0.3 . 1 . . . A 151 ILE CB . 18624 1 1081 . 1 1 90 90 ILE CG1 C 13 28.9800 0.3 . 1 . . . A 151 ILE CG1 . 18624 1 1082 . 1 1 90 90 ILE CG2 C 13 17.0070 0.3 . 1 . . . A 151 ILE CG2 . 18624 1 1083 . 1 1 90 90 ILE CD1 C 13 14.8800 0.3 . 1 . . . A 151 ILE CD1 . 18624 1 1084 . 1 1 90 90 ILE N N 15 121.2410 0.2 . 1 . . . A 151 ILE N . 18624 1 1085 . 1 1 91 91 LYS H H 1 8.2420 0.02 . 1 . . . A 152 LYS H . 18624 1 1086 . 1 1 91 91 LYS HA H 1 3.9370 0.02 . 1 . . . A 152 LYS HA . 18624 1 1087 . 1 1 91 91 LYS HB2 H 1 1.9960 0.02 . 2 . . . A 152 LYS HB2 . 18624 1 1088 . 1 1 91 91 LYS HB3 H 1 1.9960 0.02 . 2 . . . A 152 LYS HB3 . 18624 1 1089 . 1 1 91 91 LYS HG2 H 1 1.5250 0.02 . 2 . . . A 152 LYS HG2 . 18624 1 1090 . 1 1 91 91 LYS HG3 H 1 1.3740 0.02 . 2 . . . A 152 LYS HG3 . 18624 1 1091 . 1 1 91 91 LYS HD2 H 1 1.6750 0.02 . 2 . . . A 152 LYS HD2 . 18624 1 1092 . 1 1 91 91 LYS HD3 H 1 1.6750 0.02 . 2 . . . A 152 LYS HD3 . 18624 1 1093 . 1 1 91 91 LYS HE2 H 1 2.9500 0.02 . 2 . . . A 152 LYS HE2 . 18624 1 1094 . 1 1 91 91 LYS HE3 H 1 2.9500 0.02 . 2 . . . A 152 LYS HE3 . 18624 1 1095 . 1 1 91 91 LYS C C 13 178.5100 0.3 . 1 . . . A 152 LYS C . 18624 1 1096 . 1 1 91 91 LYS CA C 13 59.7710 0.3 . 1 . . . A 152 LYS CA . 18624 1 1097 . 1 1 91 91 LYS CB C 13 32.2740 0.3 . 1 . . . A 152 LYS CB . 18624 1 1098 . 1 1 91 91 LYS CG C 13 25.1500 0.3 . 1 . . . A 152 LYS CG . 18624 1 1099 . 1 1 91 91 LYS CD C 13 29.4100 0.3 . 1 . . . A 152 LYS CD . 18624 1 1100 . 1 1 91 91 LYS CE C 13 42.2800 0.3 . 1 . . . A 152 LYS CE . 18624 1 1101 . 1 1 91 91 LYS N N 15 122.0460 0.2 . 1 . . . A 152 LYS N . 18624 1 1102 . 1 1 92 92 VAL H H 1 7.8460 0.02 . 1 . . . A 153 VAL H . 18624 1 1103 . 1 1 92 92 VAL HA H 1 3.8460 0.02 . 1 . . . A 153 VAL HA . 18624 1 1104 . 1 1 92 92 VAL HB H 1 2.0540 0.02 . 1 . . . A 153 VAL HB . 18624 1 1105 . 1 1 92 92 VAL HG11 H 1 1.0550 0.02 . 2 . . . A 153 VAL HG11 . 18624 1 1106 . 1 1 92 92 VAL HG12 H 1 1.0550 0.02 . 2 . . . A 153 VAL HG12 . 18624 1 1107 . 1 1 92 92 VAL HG13 H 1 1.0550 0.02 . 2 . . . A 153 VAL HG13 . 18624 1 1108 . 1 1 92 92 VAL HG21 H 1 0.9100 0.02 . 2 . . . A 153 VAL HG21 . 18624 1 1109 . 1 1 92 92 VAL HG22 H 1 0.9100 0.02 . 2 . . . A 153 VAL HG22 . 18624 1 1110 . 1 1 92 92 VAL HG23 H 1 0.9100 0.02 . 2 . . . A 153 VAL HG23 . 18624 1 1111 . 1 1 92 92 VAL C C 13 178.2700 0.3 . 1 . . . A 153 VAL C . 18624 1 1112 . 1 1 92 92 VAL CA C 13 65.3310 0.3 . 1 . . . A 153 VAL CA . 18624 1 1113 . 1 1 92 92 VAL CB C 13 32.5690 0.3 . 1 . . . A 153 VAL CB . 18624 1 1114 . 1 1 92 92 VAL CG1 C 13 22.0740 0.3 . 2 . . . A 153 VAL CG1 . 18624 1 1115 . 1 1 92 92 VAL CG2 C 13 22.0740 0.3 . 2 . . . A 153 VAL CG2 . 18624 1 1116 . 1 1 92 92 VAL N N 15 115.7040 0.2 . 1 . . . A 153 VAL N . 18624 1 1117 . 1 1 93 93 THR H H 1 8.1220 0.02 . 1 . . . A 154 THR H . 18624 1 1118 . 1 1 93 93 THR HA H 1 4.3970 0.02 . 1 . . . A 154 THR HA . 18624 1 1119 . 1 1 93 93 THR HB H 1 4.0330 0.02 . 1 . . . A 154 THR HB . 18624 1 1120 . 1 1 93 93 THR HG21 H 1 0.9220 0.02 . 1 . . . A 154 THR HG21 . 18624 1 1121 . 1 1 93 93 THR HG22 H 1 0.9220 0.02 . 1 . . . A 154 THR HG22 . 18624 1 1122 . 1 1 93 93 THR HG23 H 1 0.9220 0.02 . 1 . . . A 154 THR HG23 . 18624 1 1123 . 1 1 93 93 THR C C 13 176.5800 0.3 . 1 . . . A 154 THR C . 18624 1 1124 . 1 1 93 93 THR CA C 13 62.7420 0.3 . 1 . . . A 154 THR CA . 18624 1 1125 . 1 1 93 93 THR CB C 13 71.6950 0.3 . 1 . . . A 154 THR CB . 18624 1 1126 . 1 1 93 93 THR CG2 C 13 21.4140 0.3 . 1 . . . A 154 THR CG2 . 18624 1 1127 . 1 1 93 93 THR N N 15 107.8000 0.2 . 1 . . . A 154 THR N . 18624 1 1128 . 1 1 94 94 GLY H H 1 8.5810 0.02 . 1 . . . A 155 GLY H . 18624 1 1129 . 1 1 94 94 GLY HA2 H 1 4.1750 0.02 . 2 . . . A 155 GLY HA2 . 18624 1 1130 . 1 1 94 94 GLY HA3 H 1 3.8200 0.02 . 2 . . . A 155 GLY HA3 . 18624 1 1131 . 1 1 94 94 GLY C C 13 173.8900 0.3 . 1 . . . A 155 GLY C . 18624 1 1132 . 1 1 94 94 GLY CA C 13 45.7250 0.3 . 1 . . . A 155 GLY CA . 18624 1 1133 . 1 1 94 94 GLY N N 15 112.5470 0.2 . 1 . . . A 155 GLY N . 18624 1 1134 . 1 1 95 95 LYS H H 1 8.0100 0.02 . 1 . . . A 156 LYS H . 18624 1 1135 . 1 1 95 95 LYS HA H 1 4.6110 0.02 . 1 . . . A 156 LYS HA . 18624 1 1136 . 1 1 95 95 LYS HB2 H 1 1.7520 0.02 . 2 . . . A 156 LYS HB2 . 18624 1 1137 . 1 1 95 95 LYS HB3 H 1 1.6000 0.02 . 2 . . . A 156 LYS HB3 . 18624 1 1138 . 1 1 95 95 LYS HG2 H 1 1.2860 0.02 . 2 . . . A 156 LYS HG2 . 18624 1 1139 . 1 1 95 95 LYS HG3 H 1 1.2860 0.02 . 2 . . . A 156 LYS HG3 . 18624 1 1140 . 1 1 95 95 LYS HD2 H 1 1.6940 0.02 . 2 . . . A 156 LYS HD2 . 18624 1 1141 . 1 1 95 95 LYS HD3 H 1 1.6940 0.02 . 2 . . . A 156 LYS HD3 . 18624 1 1142 . 1 1 95 95 LYS HE2 H 1 2.9800 0.02 . 2 . . . A 156 LYS HE2 . 18624 1 1143 . 1 1 95 95 LYS HE3 H 1 2.9800 0.02 . 2 . . . A 156 LYS HE3 . 18624 1 1144 . 1 1 95 95 LYS C C 13 173.8500 0.3 . 1 . . . A 156 LYS C . 18624 1 1145 . 1 1 95 95 LYS CA C 13 54.9930 0.3 . 1 . . . A 156 LYS CA . 18624 1 1146 . 1 1 95 95 LYS CB C 13 35.5690 0.3 . 1 . . . A 156 LYS CB . 18624 1 1147 . 1 1 95 95 LYS CG C 13 24.5000 0.3 . 1 . . . A 156 LYS CG . 18624 1 1148 . 1 1 95 95 LYS CD C 13 29.4070 0.3 . 1 . . . A 156 LYS CD . 18624 1 1149 . 1 1 95 95 LYS CE C 13 42.3660 0.3 . 1 . . . A 156 LYS CE . 18624 1 1150 . 1 1 95 95 LYS N N 15 120.5640 0.2 . 1 . . . A 156 LYS N . 18624 1 1151 . 1 1 96 96 VAL H H 1 7.9640 0.02 . 1 . . . A 157 VAL H . 18624 1 1152 . 1 1 96 96 VAL HA H 1 4.1190 0.02 . 1 . . . A 157 VAL HA . 18624 1 1153 . 1 1 96 96 VAL HB H 1 1.9080 0.02 . 1 . . . A 157 VAL HB . 18624 1 1154 . 1 1 96 96 VAL HG11 H 1 0.9390 0.02 . 2 . . . A 157 VAL HG11 . 18624 1 1155 . 1 1 96 96 VAL HG12 H 1 0.9390 0.02 . 2 . . . A 157 VAL HG12 . 18624 1 1156 . 1 1 96 96 VAL HG13 H 1 0.9390 0.02 . 2 . . . A 157 VAL HG13 . 18624 1 1157 . 1 1 96 96 VAL HG21 H 1 0.9390 0.02 . 2 . . . A 157 VAL HG21 . 18624 1 1158 . 1 1 96 96 VAL HG22 H 1 0.9390 0.02 . 2 . . . A 157 VAL HG22 . 18624 1 1159 . 1 1 96 96 VAL HG23 H 1 0.9390 0.02 . 2 . . . A 157 VAL HG23 . 18624 1 1160 . 1 1 96 96 VAL CA C 13 59.8000 0.3 . 1 . . . A 157 VAL CA . 18624 1 1161 . 1 1 96 96 VAL CB C 13 33.0090 0.3 . 1 . . . A 157 VAL CB . 18624 1 1162 . 1 1 96 96 VAL CG1 C 13 20.8520 0.3 . 2 . . . A 157 VAL CG1 . 18624 1 1163 . 1 1 96 96 VAL CG2 C 13 20.8520 0.3 . 2 . . . A 157 VAL CG2 . 18624 1 1164 . 1 1 96 96 VAL N N 15 118.5770 0.2 . 1 . . . A 157 VAL N . 18624 1 1165 . 1 1 98 98 PRO HA H 1 4.1670 0.02 . 1 . . . A 159 PRO HA . 18624 1 1166 . 1 1 98 98 PRO HB2 H 1 2.1720 0.02 . 2 . . . A 159 PRO HB2 . 18624 1 1167 . 1 1 98 98 PRO HB3 H 1 2.4680 0.02 . 2 . . . A 159 PRO HB3 . 18624 1 1168 . 1 1 98 98 PRO HG2 H 1 2.1800 0.02 . 2 . . . A 159 PRO HG2 . 18624 1 1169 . 1 1 98 98 PRO HG3 H 1 2.2500 0.02 . 2 . . . A 159 PRO HG3 . 18624 1 1170 . 1 1 98 98 PRO HD2 H 1 3.8470 0.02 . 2 . . . A 159 PRO HD2 . 18624 1 1171 . 1 1 98 98 PRO HD3 H 1 3.8470 0.02 . 2 . . . A 159 PRO HD3 . 18624 1 1172 . 1 1 98 98 PRO C C 13 179.5500 0.3 . 1 . . . A 159 PRO C . 18624 1 1173 . 1 1 98 98 PRO CA C 13 65.5730 0.3 . 1 . . . A 159 PRO CA . 18624 1 1174 . 1 1 98 98 PRO CB C 13 31.8110 0.3 . 1 . . . A 159 PRO CB . 18624 1 1175 . 1 1 98 98 PRO CG C 13 27.7030 0.3 . 1 . . . A 159 PRO CG . 18624 1 1176 . 1 1 98 98 PRO CD C 13 50.6950 0.3 . 1 . . . A 159 PRO CD . 18624 1 1177 . 1 1 99 99 GLY H H 1 9.1570 0.02 . 1 . . . A 160 GLY H . 18624 1 1178 . 1 1 99 99 GLY HA2 H 1 3.7680 0.02 . 2 . . . A 160 GLY HA2 . 18624 1 1179 . 1 1 99 99 GLY HA3 H 1 4.3200 0.02 . 2 . . . A 160 GLY HA3 . 18624 1 1180 . 1 1 99 99 GLY C C 13 174.5200 0.3 . 1 . . . A 160 GLY C . 18624 1 1181 . 1 1 99 99 GLY CA C 13 46.5260 0.3 . 1 . . . A 160 GLY CA . 18624 1 1182 . 1 1 99 99 GLY N N 15 103.4950 0.2 . 1 . . . A 160 GLY N . 18624 1 1183 . 1 1 100 100 ASN H H 1 8.4270 0.02 . 1 . . . A 161 ASN H . 18624 1 1184 . 1 1 100 100 ASN HA H 1 5.2310 0.02 . 1 . . . A 161 ASN HA . 18624 1 1185 . 1 1 100 100 ASN HB2 H 1 3.2510 0.02 . 2 . . . A 161 ASN HB2 . 18624 1 1186 . 1 1 100 100 ASN HB3 H 1 2.3350 0.02 . 2 . . . A 161 ASN HB3 . 18624 1 1187 . 1 1 100 100 ASN HD21 H 1 7.4120 0.02 . 2 . . . A 161 ASN HD21 . 18624 1 1188 . 1 1 100 100 ASN HD22 H 1 8.3210 0.02 . 2 . . . A 161 ASN HD22 . 18624 1 1189 . 1 1 100 100 ASN C C 13 174.1700 0.3 . 1 . . . A 161 ASN C . 18624 1 1190 . 1 1 100 100 ASN CA C 13 54.8040 0.3 . 1 . . . A 161 ASN CA . 18624 1 1191 . 1 1 100 100 ASN CB C 13 41.0530 0.3 . 1 . . . A 161 ASN CB . 18624 1 1192 . 1 1 100 100 ASN N N 15 117.1070 0.2 . 1 . . . A 161 ASN N . 18624 1 1193 . 1 1 100 100 ASN ND2 N 15 108.6500 0.2 . 1 . . . A 161 ASN ND2 . 18624 1 1194 . 1 1 101 101 LYS H H 1 7.4920 0.02 . 1 . . . A 162 LYS H . 18624 1 1195 . 1 1 101 101 LYS HA H 1 4.3310 0.02 . 1 . . . A 162 LYS HA . 18624 1 1196 . 1 1 101 101 LYS HB2 H 1 1.9460 0.02 . 2 . . . A 162 LYS HB2 . 18624 1 1197 . 1 1 101 101 LYS HB3 H 1 1.9460 0.02 . 2 . . . A 162 LYS HB3 . 18624 1 1198 . 1 1 101 101 LYS HG2 H 1 1.4640 0.02 . 2 . . . A 162 LYS HG2 . 18624 1 1199 . 1 1 101 101 LYS HG3 H 1 1.4640 0.02 . 2 . . . A 162 LYS HG3 . 18624 1 1200 . 1 1 101 101 LYS HD2 H 1 1.7570 0.02 . 2 . . . A 162 LYS HD2 . 18624 1 1201 . 1 1 101 101 LYS HD3 H 1 1.7570 0.02 . 2 . . . A 162 LYS HD3 . 18624 1 1202 . 1 1 101 101 LYS HE2 H 1 3.0710 0.02 . 2 . . . A 162 LYS HE2 . 18624 1 1203 . 1 1 101 101 LYS HE3 H 1 3.0710 0.02 . 2 . . . A 162 LYS HE3 . 18624 1 1204 . 1 1 101 101 LYS CA C 13 56.8260 0.3 . 1 . . . A 162 LYS CA . 18624 1 1205 . 1 1 101 101 LYS CB C 13 33.3730 0.3 . 1 . . . A 162 LYS CB . 18624 1 1206 . 1 1 101 101 LYS CG C 13 25.1500 0.3 . 1 . . . A 162 LYS CG . 18624 1 1207 . 1 1 101 101 LYS CD C 13 29.3000 0.3 . 1 . . . A 162 LYS CD . 18624 1 1208 . 1 1 101 101 LYS CE C 13 42.2000 0.3 . 1 . . . A 162 LYS CE . 18624 1 1209 . 1 1 101 101 LYS N N 15 121.2800 0.2 . 1 . . . A 162 LYS N . 18624 1 1210 . 1 1 103 103 GLY HA2 H 1 4.2630 0.02 . 2 . . . A 164 GLY HA2 . 18624 1 1211 . 1 1 103 103 GLY HA3 H 1 3.7530 0.02 . 2 . . . A 164 GLY HA3 . 18624 1 1212 . 1 1 103 103 GLY C C 13 173.4900 0.3 . 1 . . . A 164 GLY C . 18624 1 1213 . 1 1 103 103 GLY CA C 13 45.3120 0.3 . 1 . . . A 164 GLY CA . 18624 1 1214 . 1 1 104 104 ASN H H 1 7.8030 0.02 . 1 . . . A 165 ASN H . 18624 1 1215 . 1 1 104 104 ASN HA H 1 4.8360 0.02 . 1 . . . A 165 ASN HA . 18624 1 1216 . 1 1 104 104 ASN HB2 H 1 3.3220 0.02 . 2 . . . A 165 ASN HB2 . 18624 1 1217 . 1 1 104 104 ASN HB3 H 1 2.7470 0.02 . 2 . . . A 165 ASN HB3 . 18624 1 1218 . 1 1 104 104 ASN HD21 H 1 7.4500 0.02 . 2 . . . A 165 ASN HD21 . 18624 1 1219 . 1 1 104 104 ASN HD22 H 1 7.5100 0.02 . 2 . . . A 165 ASN HD22 . 18624 1 1220 . 1 1 104 104 ASN CA C 13 52.7060 0.3 . 1 . . . A 165 ASN CA . 18624 1 1221 . 1 1 104 104 ASN CB C 13 39.2620 0.3 . 1 . . . A 165 ASN CB . 18624 1 1222 . 1 1 104 104 ASN N N 15 118.4100 0.2 . 1 . . . A 165 ASN N . 18624 1 1223 . 1 1 104 104 ASN ND2 N 15 113.6200 0.2 . 1 . . . A 165 ASN ND2 . 18624 1 1224 . 1 1 105 105 ASN HA H 1 5.1720 0.02 . 1 . . . A 166 ASN HA . 18624 1 1225 . 1 1 105 105 ASN HB2 H 1 2.7680 0.02 . 2 . . . A 166 ASN HB2 . 18624 1 1226 . 1 1 105 105 ASN HB3 H 1 2.9210 0.02 . 2 . . . A 166 ASN HB3 . 18624 1 1227 . 1 1 105 105 ASN HD21 H 1 6.8960 0.02 . 2 . . . A 166 ASN HD21 . 18624 1 1228 . 1 1 105 105 ASN HD22 H 1 7.5320 0.02 . 2 . . . A 166 ASN HD22 . 18624 1 1229 . 1 1 105 105 ASN C C 13 175.9600 0.3 . 1 . . . A 166 ASN C . 18624 1 1230 . 1 1 105 105 ASN CA C 13 52.7980 0.3 . 1 . . . A 166 ASN CA . 18624 1 1231 . 1 1 105 105 ASN CB C 13 39.2320 0.3 . 1 . . . A 166 ASN CB . 18624 1 1232 . 1 1 105 105 ASN ND2 N 15 112.0900 0.2 . 1 . . . A 166 ASN ND2 . 18624 1 1233 . 1 1 106 106 THR H H 1 8.1910 0.02 . 1 . . . A 167 THR H . 18624 1 1234 . 1 1 106 106 THR HA H 1 3.6630 0.02 . 1 . . . A 167 THR HA . 18624 1 1235 . 1 1 106 106 THR HB H 1 3.8780 0.02 . 1 . . . A 167 THR HB . 18624 1 1236 . 1 1 106 106 THR HG21 H 1 0.8780 0.02 . 1 . . . A 167 THR HG21 . 18624 1 1237 . 1 1 106 106 THR HG22 H 1 0.8780 0.02 . 1 . . . A 167 THR HG22 . 18624 1 1238 . 1 1 106 106 THR HG23 H 1 0.8780 0.02 . 1 . . . A 167 THR HG23 . 18624 1 1239 . 1 1 106 106 THR C C 13 174.8100 0.3 . 1 . . . A 167 THR C . 18624 1 1240 . 1 1 106 106 THR CA C 13 66.1450 0.3 . 1 . . . A 167 THR CA . 18624 1 1241 . 1 1 106 106 THR CB C 13 69.2910 0.3 . 1 . . . A 167 THR CB . 18624 1 1242 . 1 1 106 106 THR CG2 C 13 22.5000 0.3 . 1 . . . A 167 THR CG2 . 18624 1 1243 . 1 1 106 106 THR N N 15 114.7550 0.2 . 1 . . . A 167 THR N . 18624 1 1244 . 1 1 107 107 PHE H H 1 8.8010 0.02 . 1 . . . A 168 PHE H . 18624 1 1245 . 1 1 107 107 PHE HA H 1 4.0410 0.02 . 1 . . . A 168 PHE HA . 18624 1 1246 . 1 1 107 107 PHE HB2 H 1 1.3150 0.02 . 2 . . . A 168 PHE HB2 . 18624 1 1247 . 1 1 107 107 PHE HB3 H 1 1.5980 0.02 . 2 . . . A 168 PHE HB3 . 18624 1 1248 . 1 1 107 107 PHE HD1 H 1 6.1180 0.02 . 3 . . . A 168 PHE HD1 . 18624 1 1249 . 1 1 107 107 PHE HD2 H 1 6.1180 0.02 . 3 . . . A 168 PHE HD2 . 18624 1 1250 . 1 1 107 107 PHE HE1 H 1 6.9640 0.02 . 3 . . . A 168 PHE HE1 . 18624 1 1251 . 1 1 107 107 PHE HE2 H 1 6.9640 0.02 . 3 . . . A 168 PHE HE2 . 18624 1 1252 . 1 1 107 107 PHE HZ H 1 6.9550 0.02 . 1 . . . A 168 PHE HZ . 18624 1 1253 . 1 1 107 107 PHE C C 13 175.8000 0.3 . 1 . . . A 168 PHE C . 18624 1 1254 . 1 1 107 107 PHE CA C 13 59.0430 0.3 . 1 . . . A 168 PHE CA . 18624 1 1255 . 1 1 107 107 PHE CB C 13 38.5290 0.3 . 1 . . . A 168 PHE CB . 18624 1 1256 . 1 1 107 107 PHE CD1 C 13 131.6000 0.3 . 3 . . . A 168 PHE CD1 . 18624 1 1257 . 1 1 107 107 PHE CD2 C 13 131.6000 0.3 . 3 . . . A 168 PHE CD2 . 18624 1 1258 . 1 1 107 107 PHE CE1 C 13 131.0560 0.3 . 3 . . . A 168 PHE CE1 . 18624 1 1259 . 1 1 107 107 PHE CE2 C 13 131.0560 0.3 . 3 . . . A 168 PHE CE2 . 18624 1 1260 . 1 1 107 107 PHE CZ C 13 129.3170 0.3 . 1 . . . A 168 PHE CZ . 18624 1 1261 . 1 1 107 107 PHE N N 15 117.7310 0.2 . 1 . . . A 168 PHE N . 18624 1 1262 . 1 1 108 108 VAL H H 1 7.7350 0.02 . 1 . . . A 169 VAL H . 18624 1 1263 . 1 1 108 108 VAL HA H 1 4.1220 0.02 . 1 . . . A 169 VAL HA . 18624 1 1264 . 1 1 108 108 VAL HB H 1 2.1680 0.02 . 1 . . . A 169 VAL HB . 18624 1 1265 . 1 1 108 108 VAL HG11 H 1 1.0720 0.02 . 2 . . . A 169 VAL HG11 . 18624 1 1266 . 1 1 108 108 VAL HG12 H 1 1.0720 0.02 . 2 . . . A 169 VAL HG12 . 18624 1 1267 . 1 1 108 108 VAL HG13 H 1 1.0720 0.02 . 2 . . . A 169 VAL HG13 . 18624 1 1268 . 1 1 108 108 VAL HG21 H 1 1.0720 0.02 . 2 . . . A 169 VAL HG21 . 18624 1 1269 . 1 1 108 108 VAL HG22 H 1 1.0720 0.02 . 2 . . . A 169 VAL HG22 . 18624 1 1270 . 1 1 108 108 VAL HG23 H 1 1.0720 0.02 . 2 . . . A 169 VAL HG23 . 18624 1 1271 . 1 1 108 108 VAL C C 13 175.6300 0.3 . 1 . . . A 169 VAL C . 18624 1 1272 . 1 1 108 108 VAL CA C 13 62.3190 0.3 . 1 . . . A 169 VAL CA . 18624 1 1273 . 1 1 108 108 VAL CB C 13 33.2670 0.3 . 1 . . . A 169 VAL CB . 18624 1 1274 . 1 1 108 108 VAL CG1 C 13 21.2640 0.3 . 2 . . . A 169 VAL CG1 . 18624 1 1275 . 1 1 108 108 VAL CG2 C 13 21.2640 0.3 . 2 . . . A 169 VAL CG2 . 18624 1 1276 . 1 1 108 108 VAL N N 15 116.8400 0.2 . 1 . . . A 169 VAL N . 18624 1 1277 . 1 1 109 109 LYS H H 1 8.0190 0.02 . 1 . . . A 170 LYS H . 18624 1 1278 . 1 1 109 109 LYS HA H 1 4.3690 0.02 . 1 . . . A 170 LYS HA . 18624 1 1279 . 1 1 109 109 LYS HB2 H 1 1.8260 0.02 . 2 . . . A 170 LYS HB2 . 18624 1 1280 . 1 1 109 109 LYS HB3 H 1 1.8260 0.02 . 2 . . . A 170 LYS HB3 . 18624 1 1281 . 1 1 109 109 LYS HG2 H 1 1.3850 0.02 . 2 . . . A 170 LYS HG2 . 18624 1 1282 . 1 1 109 109 LYS HG3 H 1 1.3850 0.02 . 2 . . . A 170 LYS HG3 . 18624 1 1283 . 1 1 109 109 LYS HD2 H 1 1.6640 0.02 . 2 . . . A 170 LYS HD2 . 18624 1 1284 . 1 1 109 109 LYS HD3 H 1 1.6640 0.02 . 2 . . . A 170 LYS HD3 . 18624 1 1285 . 1 1 109 109 LYS HE2 H 1 2.9500 0.02 . 2 . . . A 170 LYS HE2 . 18624 1 1286 . 1 1 109 109 LYS HE3 H 1 2.9500 0.02 . 2 . . . A 170 LYS HE3 . 18624 1 1287 . 1 1 109 109 LYS C C 13 176.8100 0.3 . 1 . . . A 170 LYS C . 18624 1 1288 . 1 1 109 109 LYS CA C 13 56.7100 0.3 . 1 . . . A 170 LYS CA . 18624 1 1289 . 1 1 109 109 LYS CB C 13 32.7370 0.3 . 1 . . . A 170 LYS CB . 18624 1 1290 . 1 1 109 109 LYS CG C 13 24.7000 0.3 . 1 . . . A 170 LYS CG . 18624 1 1291 . 1 1 109 109 LYS CD C 13 29.3000 0.3 . 1 . . . A 170 LYS CD . 18624 1 1292 . 1 1 109 109 LYS CE C 13 42.4000 0.3 . 1 . . . A 170 LYS CE . 18624 1 1293 . 1 1 109 109 LYS N N 15 122.1380 0.2 . 1 . . . A 170 LYS N . 18624 1 1294 . 1 1 110 110 VAL H H 1 7.8910 0.02 . 1 . . . A 171 VAL H . 18624 1 1295 . 1 1 110 110 VAL HA H 1 4.1820 0.02 . 1 . . . A 171 VAL HA . 18624 1 1296 . 1 1 110 110 VAL HB H 1 2.0890 0.02 . 1 . . . A 171 VAL HB . 18624 1 1297 . 1 1 110 110 VAL HG11 H 1 0.8670 0.02 . 2 . . . A 171 VAL HG11 . 18624 1 1298 . 1 1 110 110 VAL HG12 H 1 0.8670 0.02 . 2 . . . A 171 VAL HG12 . 18624 1 1299 . 1 1 110 110 VAL HG13 H 1 0.8670 0.02 . 2 . . . A 171 VAL HG13 . 18624 1 1300 . 1 1 110 110 VAL HG21 H 1 0.8670 0.02 . 2 . . . A 171 VAL HG21 . 18624 1 1301 . 1 1 110 110 VAL HG22 H 1 0.8670 0.02 . 2 . . . A 171 VAL HG22 . 18624 1 1302 . 1 1 110 110 VAL HG23 H 1 0.8670 0.02 . 2 . . . A 171 VAL HG23 . 18624 1 1303 . 1 1 110 110 VAL C C 13 176.2300 0.3 . 1 . . . A 171 VAL C . 18624 1 1304 . 1 1 110 110 VAL CA C 13 62.2380 0.3 . 1 . . . A 171 VAL CA . 18624 1 1305 . 1 1 110 110 VAL CB C 13 32.6380 0.3 . 1 . . . A 171 VAL CB . 18624 1 1306 . 1 1 110 110 VAL CG1 C 13 21.0700 0.3 . 2 . . . A 171 VAL CG1 . 18624 1 1307 . 1 1 110 110 VAL CG2 C 13 21.0700 0.3 . 2 . . . A 171 VAL CG2 . 18624 1 1308 . 1 1 110 110 VAL N N 15 119.8300 0.2 . 1 . . . A 171 VAL N . 18624 1 1309 . 1 1 111 111 THR H H 1 8.1670 0.02 . 1 . . . A 172 THR H . 18624 1 1310 . 1 1 111 111 THR HA H 1 4.3670 0.02 . 1 . . . A 172 THR HA . 18624 1 1311 . 1 1 111 111 THR HB H 1 4.2730 0.02 . 1 . . . A 172 THR HB . 18624 1 1312 . 1 1 111 111 THR HG21 H 1 1.2520 0.02 . 1 . . . A 172 THR HG21 . 18624 1 1313 . 1 1 111 111 THR HG22 H 1 1.2520 0.02 . 1 . . . A 172 THR HG22 . 18624 1 1314 . 1 1 111 111 THR HG23 H 1 1.2520 0.02 . 1 . . . A 172 THR HG23 . 18624 1 1315 . 1 1 111 111 THR C C 13 174.5300 0.3 . 1 . . . A 172 THR C . 18624 1 1316 . 1 1 111 111 THR CA C 13 61.8310 0.3 . 1 . . . A 172 THR CA . 18624 1 1317 . 1 1 111 111 THR CB C 13 69.8180 0.3 . 1 . . . A 172 THR CB . 18624 1 1318 . 1 1 111 111 THR CG2 C 13 21.8400 0.3 . 1 . . . A 172 THR CG2 . 18624 1 1319 . 1 1 111 111 THR N N 15 117.6530 0.2 . 1 . . . A 172 THR N . 18624 1 1320 . 1 1 112 112 LEU H H 1 8.2380 0.02 . 1 . . . A 173 LEU H . 18624 1 1321 . 1 1 112 112 LEU HA H 1 4.3010 0.02 . 1 . . . A 173 LEU HA . 18624 1 1322 . 1 1 112 112 LEU HB2 H 1 1.4780 0.02 . 2 . . . A 173 LEU HB2 . 18624 1 1323 . 1 1 112 112 LEU HB3 H 1 1.5770 0.02 . 2 . . . A 173 LEU HB3 . 18624 1 1324 . 1 1 112 112 LEU HG H 1 1.5820 0.02 . 1 . . . A 173 LEU HG . 18624 1 1325 . 1 1 112 112 LEU HD11 H 1 0.8480 0.02 . 2 . . . A 173 LEU HD11 . 18624 1 1326 . 1 1 112 112 LEU HD12 H 1 0.8480 0.02 . 2 . . . A 173 LEU HD12 . 18624 1 1327 . 1 1 112 112 LEU HD13 H 1 0.8480 0.02 . 2 . . . A 173 LEU HD13 . 18624 1 1328 . 1 1 112 112 LEU HD21 H 1 0.7850 0.02 . 2 . . . A 173 LEU HD21 . 18624 1 1329 . 1 1 112 112 LEU HD22 H 1 0.7850 0.02 . 2 . . . A 173 LEU HD22 . 18624 1 1330 . 1 1 112 112 LEU HD23 H 1 0.7850 0.02 . 2 . . . A 173 LEU HD23 . 18624 1 1331 . 1 1 112 112 LEU C C 13 177.2800 0.3 . 1 . . . A 173 LEU C . 18624 1 1332 . 1 1 112 112 LEU CA C 13 55.2560 0.3 . 1 . . . A 173 LEU CA . 18624 1 1333 . 1 1 112 112 LEU CB C 13 42.2560 0.3 . 1 . . . A 173 LEU CB . 18624 1 1334 . 1 1 112 112 LEU CG C 13 27.0900 0.3 . 1 . . . A 173 LEU CG . 18624 1 1335 . 1 1 112 112 LEU CD1 C 13 25.0400 0.3 . 2 . . . A 173 LEU CD1 . 18624 1 1336 . 1 1 112 112 LEU CD2 C 13 23.4700 0.3 . 2 . . . A 173 LEU CD2 . 18624 1 1337 . 1 1 112 112 LEU N N 15 124.1550 0.2 . 1 . . . A 173 LEU N . 18624 1 1338 . 1 1 113 113 GLU H H 1 8.2840 0.02 . 1 . . . A 174 GLU H . 18624 1 1339 . 1 1 113 113 GLU HA H 1 4.1740 0.02 . 1 . . . A 174 GLU HA . 18624 1 1340 . 1 1 113 113 GLU HB2 H 1 1.8650 0.02 . 2 . . . A 174 GLU HB2 . 18624 1 1341 . 1 1 113 113 GLU HB3 H 1 1.8650 0.02 . 2 . . . A 174 GLU HB3 . 18624 1 1342 . 1 1 113 113 GLU HG2 H 1 2.1370 0.02 . 2 . . . A 174 GLU HG2 . 18624 1 1343 . 1 1 113 113 GLU HG3 H 1 2.1370 0.02 . 2 . . . A 174 GLU HG3 . 18624 1 1344 . 1 1 113 113 GLU C C 13 176.2500 0.3 . 1 . . . A 174 GLU C . 18624 1 1345 . 1 1 113 113 GLU CA C 13 56.6610 0.3 . 1 . . . A 174 GLU CA . 18624 1 1346 . 1 1 113 113 GLU CB C 13 30.3470 0.3 . 1 . . . A 174 GLU CB . 18624 1 1347 . 1 1 113 113 GLU CG C 13 36.4380 0.3 . 1 . . . A 174 GLU CG . 18624 1 1348 . 1 1 113 113 GLU N N 15 120.7360 0.2 . 1 . . . A 174 GLU N . 18624 1 1349 . 1 1 114 114 HIS H H 1 8.2000 0.02 . 1 . . . A 175 HIS H . 18624 1 1350 . 1 1 114 114 HIS HA H 1 4.5210 0.02 . 1 . . . A 175 HIS HA . 18624 1 1351 . 1 1 114 114 HIS HB2 H 1 2.9360 0.02 . 2 . . . A 175 HIS HB2 . 18624 1 1352 . 1 1 114 114 HIS HB3 H 1 2.9360 0.02 . 2 . . . A 175 HIS HB3 . 18624 1 1353 . 1 1 114 114 HIS C C 13 175.0400 0.3 . 1 . . . A 175 HIS C . 18624 1 1354 . 1 1 114 114 HIS CA C 13 56.2940 0.3 . 1 . . . A 175 HIS CA . 18624 1 1355 . 1 1 114 114 HIS CB C 13 30.8720 0.3 . 1 . . . A 175 HIS CB . 18624 1 1356 . 1 1 114 114 HIS N N 15 119.7820 0.2 . 1 . . . A 175 HIS N . 18624 1 1357 . 1 1 115 115 HIS H H 1 8.2650 0.02 . 1 . . . A 176 HIS H . 18624 1 1358 . 1 1 115 115 HIS HA H 1 4.1670 0.02 . 1 . . . A 176 HIS HA . 18624 1 1359 . 1 1 115 115 HIS HB2 H 1 1.8520 0.02 . 2 . . . A 176 HIS HB2 . 18624 1 1360 . 1 1 115 115 HIS HB3 H 1 2.1430 0.02 . 2 . . . A 176 HIS HB3 . 18624 1 1361 . 1 1 115 115 HIS CA C 13 56.2110 0.3 . 1 . . . A 176 HIS CA . 18624 1 1362 . 1 1 115 115 HIS CB C 13 30.8290 0.3 . 1 . . . A 176 HIS CB . 18624 1 1363 . 1 1 115 115 HIS N N 15 120.7250 0.2 . 1 . . . A 176 HIS N . 18624 1 1364 . 1 1 119 119 HIS H H 1 7.9890 0.02 . 1 . . . A 180 HIS H . 18624 1 1365 . 1 1 119 119 HIS CA C 13 57.6980 0.3 . 1 . . . A 180 HIS CA . 18624 1 1366 . 1 1 119 119 HIS CB C 13 30.7600 0.3 . 1 . . . A 180 HIS CB . 18624 1 1367 . 1 1 119 119 HIS N N 15 125.7310 0.2 . 1 . . . A 180 HIS N . 18624 1 stop_ save_