data_19622 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19622 _Entry.Title ; Solution structure of oxidized [2Fe-2S] ferredoxin PetF from Chlamydomonas reinhardtii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-19 _Entry.Accession_date 2013-11-19 _Entry.Last_release_date 2014-11-17 _Entry.Original_release_date 2014-11-17 _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 Sigrun Rumpel . . . 19622 2 Judith Siebel . F. . 19622 3 Christophe Fares . . . 19622 4 Edward Reijerse . J. . 19622 5 Wolfgang Lubitz . . . 19622 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' . 19622 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 19622 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19622 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 19622 '15N chemical shifts' 88 19622 '1H chemical shifts' 575 19622 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 . . 2014-11-17 2013-11-19 original author . 19622 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mh7 'BMRB Entry Tracking System' 19622 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19622 _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 'Redirecting Elctrons from Photosystem I to Hydrogenase: Towards Increased Hydrogen Production in Algae' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Biochemistry _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 Sigrun Rumpel . . . 19622 1 2 Judith Siebel . F. . 19622 1 3 Christophe Fares . . . 19622 1 4 Thomas Happe . . . 19622 1 5 Wolfgang Lubitz . . . 19622 1 6 Edward Reijerse . J. . 19622 1 7 Martin Winkler . . . 19622 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19622 _Assembly.ID 1 _Assembly.Name 'PetF monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 yes _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 'PetF monomer' 1 $entity_1 A . yes native no no . . . 19622 1 2 'FE2/S2 (INORGANIC) CLUSTER' 2 $entity_FES B . no native no no . . . 19622 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19622 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MYKVTLKTPSGDKTIECPAD TYILDAAEEAGLDLPYSCRA GACSSCAGKVAAGTVDQSDQ SFLDDAQMGNGFVLTCVAYP TSDCTIQTHQEEALYENLYF Q ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10840.030 _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 2MH7 . "Solution Structure Of Oxidized [2fe-2s] Ferredoxin Petf From Chlamydomonas Reinhardtii" . . . . . 100.00 101 100.00 100.00 9.68e-67 . . . . 19622 1 2 no PDB 2N0S . "Haddock Model Of Ferredoxin And [fefe] Hydrogenase Complex" . . . . . 92.08 94 100.00 100.00 1.21e-59 . . . . 19622 1 3 no GB AAA33085 . "ferredoxin [Chlamydomonas reinhardtii]" . . . . . 93.07 126 100.00 100.00 3.54e-61 . . . . 19622 1 4 no GB AAC49171 . "ferredoxin precursor [Chlamydomonas reinhardtii]" . . . . . 93.07 126 100.00 100.00 3.54e-61 . . . . 19622 1 5 no GB ABA01123 . "chloroplast ferredoxin [Chlamydomonas incerta]" . . . . . 93.07 126 100.00 100.00 3.54e-61 . . . . 19622 1 6 no GB EDP03827 . "apoferredoxin [Chlamydomonas reinhardtii]" . . . . . 93.07 126 100.00 100.00 3.54e-61 . . . . 19622 1 7 no REF XP_001692808 . "apoferredoxin [Chlamydomonas reinhardtii]" . . . . . 93.07 126 100.00 100.00 3.54e-61 . . . . 19622 1 8 no SP P07839 . "RecName: Full=Ferredoxin, chloroplastic; Flags: Precursor" . . . . . 93.07 126 100.00 100.00 3.54e-61 . . . . 19622 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 0 MET . 19622 1 2 1 TYR . 19622 1 3 2 LYS . 19622 1 4 3 VAL . 19622 1 5 4 THR . 19622 1 6 5 LEU . 19622 1 7 6 LYS . 19622 1 8 7 THR . 19622 1 9 8 PRO . 19622 1 10 9 SER . 19622 1 11 10 GLY . 19622 1 12 11 ASP . 19622 1 13 12 LYS . 19622 1 14 13 THR . 19622 1 15 14 ILE . 19622 1 16 15 GLU . 19622 1 17 16 CYS . 19622 1 18 17 PRO . 19622 1 19 18 ALA . 19622 1 20 19 ASP . 19622 1 21 20 THR . 19622 1 22 21 TYR . 19622 1 23 22 ILE . 19622 1 24 23 LEU . 19622 1 25 24 ASP . 19622 1 26 25 ALA . 19622 1 27 26 ALA . 19622 1 28 27 GLU . 19622 1 29 28 GLU . 19622 1 30 29 ALA . 19622 1 31 30 GLY . 19622 1 32 31 LEU . 19622 1 33 32 ASP . 19622 1 34 33 LEU . 19622 1 35 34 PRO . 19622 1 36 35 TYR . 19622 1 37 36 SER . 19622 1 38 37 CYS . 19622 1 39 38 ARG . 19622 1 40 39 ALA . 19622 1 41 40 GLY . 19622 1 42 41 ALA . 19622 1 43 42 CYS . 19622 1 44 43 SER . 19622 1 45 44 SER . 19622 1 46 45 CYS . 19622 1 47 46 ALA . 19622 1 48 47 GLY . 19622 1 49 48 LYS . 19622 1 50 49 VAL . 19622 1 51 50 ALA . 19622 1 52 51 ALA . 19622 1 53 52 GLY . 19622 1 54 53 THR . 19622 1 55 54 VAL . 19622 1 56 55 ASP . 19622 1 57 56 GLN . 19622 1 58 57 SER . 19622 1 59 58 ASP . 19622 1 60 59 GLN . 19622 1 61 60 SER . 19622 1 62 61 PHE . 19622 1 63 62 LEU . 19622 1 64 63 ASP . 19622 1 65 64 ASP . 19622 1 66 65 ALA . 19622 1 67 66 GLN . 19622 1 68 67 MET . 19622 1 69 68 GLY . 19622 1 70 69 ASN . 19622 1 71 70 GLY . 19622 1 72 71 PHE . 19622 1 73 72 VAL . 19622 1 74 73 LEU . 19622 1 75 74 THR . 19622 1 76 75 CYS . 19622 1 77 76 VAL . 19622 1 78 77 ALA . 19622 1 79 78 TYR . 19622 1 80 79 PRO . 19622 1 81 80 THR . 19622 1 82 81 SER . 19622 1 83 82 ASP . 19622 1 84 83 CYS . 19622 1 85 84 THR . 19622 1 86 85 ILE . 19622 1 87 86 GLN . 19622 1 88 87 THR . 19622 1 89 88 HIS . 19622 1 90 89 GLN . 19622 1 91 90 GLU . 19622 1 92 91 GLU . 19622 1 93 92 ALA . 19622 1 94 93 LEU . 19622 1 95 94 TYR . 19622 1 96 95 GLU . 19622 1 97 96 ASN . 19622 1 98 97 LEU . 19622 1 99 98 TYR . 19622 1 100 99 PHE . 19622 1 101 100 GLN . 19622 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 19622 1 . TYR 2 2 19622 1 . LYS 3 3 19622 1 . VAL 4 4 19622 1 . THR 5 5 19622 1 . LEU 6 6 19622 1 . LYS 7 7 19622 1 . THR 8 8 19622 1 . PRO 9 9 19622 1 . SER 10 10 19622 1 . GLY 11 11 19622 1 . ASP 12 12 19622 1 . LYS 13 13 19622 1 . THR 14 14 19622 1 . ILE 15 15 19622 1 . GLU 16 16 19622 1 . CYS 17 17 19622 1 . PRO 18 18 19622 1 . ALA 19 19 19622 1 . ASP 20 20 19622 1 . THR 21 21 19622 1 . TYR 22 22 19622 1 . ILE 23 23 19622 1 . LEU 24 24 19622 1 . ASP 25 25 19622 1 . ALA 26 26 19622 1 . ALA 27 27 19622 1 . GLU 28 28 19622 1 . GLU 29 29 19622 1 . ALA 30 30 19622 1 . GLY 31 31 19622 1 . LEU 32 32 19622 1 . ASP 33 33 19622 1 . LEU 34 34 19622 1 . PRO 35 35 19622 1 . TYR 36 36 19622 1 . SER 37 37 19622 1 . CYS 38 38 19622 1 . ARG 39 39 19622 1 . ALA 40 40 19622 1 . GLY 41 41 19622 1 . ALA 42 42 19622 1 . CYS 43 43 19622 1 . SER 44 44 19622 1 . SER 45 45 19622 1 . CYS 46 46 19622 1 . ALA 47 47 19622 1 . GLY 48 48 19622 1 . LYS 49 49 19622 1 . VAL 50 50 19622 1 . ALA 51 51 19622 1 . ALA 52 52 19622 1 . GLY 53 53 19622 1 . THR 54 54 19622 1 . VAL 55 55 19622 1 . ASP 56 56 19622 1 . GLN 57 57 19622 1 . SER 58 58 19622 1 . ASP 59 59 19622 1 . GLN 60 60 19622 1 . SER 61 61 19622 1 . PHE 62 62 19622 1 . LEU 63 63 19622 1 . ASP 64 64 19622 1 . ASP 65 65 19622 1 . ALA 66 66 19622 1 . GLN 67 67 19622 1 . MET 68 68 19622 1 . GLY 69 69 19622 1 . ASN 70 70 19622 1 . GLY 71 71 19622 1 . PHE 72 72 19622 1 . VAL 73 73 19622 1 . LEU 74 74 19622 1 . THR 75 75 19622 1 . CYS 76 76 19622 1 . VAL 77 77 19622 1 . ALA 78 78 19622 1 . TYR 79 79 19622 1 . PRO 80 80 19622 1 . THR 81 81 19622 1 . SER 82 82 19622 1 . ASP 83 83 19622 1 . CYS 84 84 19622 1 . THR 85 85 19622 1 . ILE 86 86 19622 1 . GLN 87 87 19622 1 . THR 88 88 19622 1 . HIS 89 89 19622 1 . GLN 90 90 19622 1 . GLU 91 91 19622 1 . GLU 92 92 19622 1 . ALA 93 93 19622 1 . LEU 94 94 19622 1 . TYR 95 95 19622 1 . GLU 96 96 19622 1 . ASN 97 97 19622 1 . LEU 98 98 19622 1 . TYR 99 99 19622 1 . PHE 100 100 19622 1 . GLN 101 101 19622 1 stop_ save_ save_entity_FES _Entity.Sf_category entity _Entity.Sf_framecode entity_FES _Entity.Entry_ID 19622 _Entity.ID 2 _Entity.BMRB_code FES _Entity.Name 'FE2/S2 (INORGANIC) CLUSTER' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FES _Entity.Nonpolymer_comp_label $chem_comp_FES _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 175.820 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FE2/S2 (INORGANIC) CLUSTER' BMRB 19622 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FE2/S2 (INORGANIC) CLUSTER' BMRB 19622 2 FES 'Three letter code' 19622 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 FES $chem_comp_FES 19622 2 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 19622 _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 $entity_1 . 3055 organism . 'Chlamydomonas reinhardtii' 'Green Algae' . . Eukaryota Viridiplantae Chlamydomonas reinhardtii . . . . . . . . . . . . . . . . . . . . . 19622 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 19622 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21b . . . . . . 19622 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FES _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FES _Chem_comp.Entry_ID 19622 _Chem_comp.ID FES _Chem_comp.Provenance PDB _Chem_comp.Name 'FE2/S2 (INORGANIC) CLUSTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FES _Chem_comp.PDB_code FES _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FES _Chem_comp.Number_atoms_all 4 _Chem_comp.Number_atoms_nh 4 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/2Fe.2S _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'Fe2 S2' _Chem_comp.Formula_weight 175.820 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CZP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Fe]1S[Fe]S1 SMILES ACDLabs 10.04 19622 FES InChI=1S/2Fe.2S InChI InChI 1.03 19622 FES NIXDOXVAJZFRNF-UHFFFAOYSA-N InChIKey InChI 1.03 19622 FES S1[Fe]S[Fe]1 SMILES CACTVS 3.341 19622 FES S1[Fe]S[Fe]1 SMILES 'OpenEye OEToolkits' 1.5.0 19622 FES S1[Fe]S[Fe]1 SMILES_CANONICAL CACTVS 3.341 19622 FES S1[Fe]S[Fe]1 SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19622 FES stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19622 FES di-mu-sulfidediiron 'SYSTEMATIC NAME' ACDLabs 10.04 19622 FES stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID FE1 FE1 FE1 FE1 . FE . . N 0 . . . 0 no no . . . . 16.237 . 5.409 . 27.398 . 0.000 -0.213 -1.531 1 . 19622 FES FE2 FE2 FE2 FE2 . FE . . N 0 . . . 0 no no . . . . 16.361 . 2.666 . 27.488 . 0.000 -0.213 1.531 2 . 19622 FES S1 S1 S1 S1 . S . . N 0 . . . 1 no no . . . . 17.422 . 4.079 . 28.829 . 1.461 0.372 0.000 3 . 19622 FES S2 S2 S2 S2 . S . . N 0 . . . 1 no no . . . . 15.380 . 3.919 . 25.972 . -1.461 0.372 0.000 4 . 19622 FES stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING FE1 S1 no N 1 . 19622 FES 2 . SING FE1 S2 no N 2 . 19622 FES 3 . SING FE2 S1 no N 3 . 19622 FES 4 . SING FE2 S2 no N 4 . 19622 FES stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19622 _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 'PetF monomer' 'natural abundance' . . 1 $entity_1 . . . . . mM . . . . 19622 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19622 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19622 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19622 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19622 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19622 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 19622 _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' 0.1 . M 19622 1 pH 6.8 . pH 19622 1 pressure 1 . atm 19622 1 temperature 298 . K 19622 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19622 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19622 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19622 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19622 _Software.ID 2 _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' . . 19622 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19622 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19622 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19622 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19622 3 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19622 _Software.ID 4 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19622 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19622 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19622 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19622 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19622 5 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 19622 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19622 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19622 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 19622 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 7 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 8 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 10 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 11 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19622 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19622 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19622 _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 external indirect 0.251449530 . . . . . . . . . 19622 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 19622 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 19622 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 19622 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19622 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 19622 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.648 0.000 . . . . . A 0 MET HA . 19622 1 2 . 1 1 1 1 MET HB2 H 1 1.900 0.000 . . . . . A 0 MET HB2 . 19622 1 3 . 1 1 1 1 MET HB3 H 1 1.782 0.000 . . . . . A 0 MET HB3 . 19622 1 4 . 1 1 1 1 MET HG2 H 1 2.368 0.000 . . . . . A 0 MET HG2 . 19622 1 5 . 1 1 1 1 MET HG3 H 1 2.368 0.000 . . . . . A 0 MET HG3 . 19622 1 6 . 1 1 1 1 MET C C 13 173.879 0.000 . . . . . A 0 MET C . 19622 1 7 . 1 1 1 1 MET CA C 13 55.357 0.000 . . . . . A 0 MET CA . 19622 1 8 . 1 1 1 1 MET CB C 13 34.017 0.000 . . . . . A 0 MET CB . 19622 1 9 . 1 1 1 1 MET CG C 13 31.701 0.000 . . . . . A 0 MET CG . 19622 1 10 . 1 1 2 2 TYR H H 1 8.204 0.000 . . . . . A 1 TYR H . 19622 1 11 . 1 1 2 2 TYR HA H 1 4.900 0.000 . . . . . A 1 TYR HA . 19622 1 12 . 1 1 2 2 TYR HB2 H 1 3.005 0.000 . . . . . A 1 TYR HB2 . 19622 1 13 . 1 1 2 2 TYR HB3 H 1 2.534 0.000 . . . . . A 1 TYR HB3 . 19622 1 14 . 1 1 2 2 TYR HD1 H 1 7.000 0.000 . . . . . A 1 TYR HD1 . 19622 1 15 . 1 1 2 2 TYR HD2 H 1 7.000 0.000 . . . . . A 1 TYR HD2 . 19622 1 16 . 1 1 2 2 TYR HE1 H 1 6.670 0.000 . . . . . A 1 TYR HE1 . 19622 1 17 . 1 1 2 2 TYR HE2 H 1 6.670 0.000 . . . . . A 1 TYR HE2 . 19622 1 18 . 1 1 2 2 TYR C C 13 174.477 0.000 . . . . . A 1 TYR C . 19622 1 19 . 1 1 2 2 TYR CA C 13 57.340 0.000 . . . . . A 1 TYR CA . 19622 1 20 . 1 1 2 2 TYR CB C 13 40.147 0.000 . . . . . A 1 TYR CB . 19622 1 21 . 1 1 2 2 TYR CD1 C 13 133.109 0.000 . . . . . A 1 TYR CD1 . 19622 1 22 . 1 1 2 2 TYR CD2 C 13 133.109 0.000 . . . . . A 1 TYR CD2 . 19622 1 23 . 1 1 2 2 TYR CE1 C 13 117.800 0.000 . . . . . A 1 TYR CE1 . 19622 1 24 . 1 1 2 2 TYR CE2 C 13 117.800 0.000 . . . . . A 1 TYR CE2 . 19622 1 25 . 1 1 2 2 TYR N N 15 121.776 0.000 . . . . . A 1 TYR N . 19622 1 26 . 1 1 3 3 LYS H H 1 9.291 0.000 . . . . . A 2 LYS H . 19622 1 27 . 1 1 3 3 LYS HA H 1 4.719 0.000 . . . . . A 2 LYS HA . 19622 1 28 . 1 1 3 3 LYS HB2 H 1 1.485 0.000 . . . . . A 2 LYS HB2 . 19622 1 29 . 1 1 3 3 LYS HB3 H 1 1.706 0.000 . . . . . A 2 LYS HB3 . 19622 1 30 . 1 1 3 3 LYS HG2 H 1 1.483 0.000 . . . . . A 2 LYS HG2 . 19622 1 31 . 1 1 3 3 LYS HG3 H 1 1.304 0.000 . . . . . A 2 LYS HG3 . 19622 1 32 . 1 1 3 3 LYS HD2 H 1 1.577 0.000 . . . . . A 2 LYS HD2 . 19622 1 33 . 1 1 3 3 LYS HD3 H 1 1.577 0.000 . . . . . A 2 LYS HD3 . 19622 1 34 . 1 1 3 3 LYS HE2 H 1 2.953 0.000 . . . . . A 2 LYS HE2 . 19622 1 35 . 1 1 3 3 LYS HE3 H 1 2.953 0.000 . . . . . A 2 LYS HE3 . 19622 1 36 . 1 1 3 3 LYS C C 13 176.369 0.000 . . . . . A 2 LYS C . 19622 1 37 . 1 1 3 3 LYS CA C 13 55.408 0.000 . . . . . A 2 LYS CA . 19622 1 38 . 1 1 3 3 LYS CB C 13 32.636 0.000 . . . . . A 2 LYS CB . 19622 1 39 . 1 1 3 3 LYS CG C 13 24.957 0.000 . . . . . A 2 LYS CG . 19622 1 40 . 1 1 3 3 LYS CD C 13 28.789 0.000 . . . . . A 2 LYS CD . 19622 1 41 . 1 1 3 3 LYS CE C 13 42.073 0.000 . . . . . A 2 LYS CE . 19622 1 42 . 1 1 3 3 LYS N N 15 122.911 0.000 . . . . . A 2 LYS N . 19622 1 43 . 1 1 4 4 VAL H H 1 9.268 0.000 . . . . . A 3 VAL H . 19622 1 44 . 1 1 4 4 VAL HA H 1 4.974 0.000 . . . . . A 3 VAL HA . 19622 1 45 . 1 1 4 4 VAL HB H 1 2.023 0.000 . . . . . A 3 VAL HB . 19622 1 46 . 1 1 4 4 VAL HG11 H 1 0.921 0.000 . . . . . A 3 VAL HG11 . 19622 1 47 . 1 1 4 4 VAL HG12 H 1 0.921 0.000 . . . . . A 3 VAL HG12 . 19622 1 48 . 1 1 4 4 VAL HG13 H 1 0.921 0.000 . . . . . A 3 VAL HG13 . 19622 1 49 . 1 1 4 4 VAL HG21 H 1 0.829 0.000 . . . . . A 3 VAL HG21 . 19622 1 50 . 1 1 4 4 VAL HG22 H 1 0.829 0.000 . . . . . A 3 VAL HG22 . 19622 1 51 . 1 1 4 4 VAL HG23 H 1 0.829 0.000 . . . . . A 3 VAL HG23 . 19622 1 52 . 1 1 4 4 VAL C C 13 175.283 0.000 . . . . . A 3 VAL C . 19622 1 53 . 1 1 4 4 VAL CA C 13 60.401 0.000 . . . . . A 3 VAL CA . 19622 1 54 . 1 1 4 4 VAL CB C 13 33.332 0.000 . . . . . A 3 VAL CB . 19622 1 55 . 1 1 4 4 VAL CG1 C 13 20.743 0.000 . . . . . A 3 VAL CG1 . 19622 1 56 . 1 1 4 4 VAL CG2 C 13 20.723 0.000 . . . . . A 3 VAL CG2 . 19622 1 57 . 1 1 4 4 VAL N N 15 128.453 0.000 . . . . . A 3 VAL N . 19622 1 58 . 1 1 5 5 THR H H 1 9.623 0.000 . . . . . A 4 THR H . 19622 1 59 . 1 1 5 5 THR HA H 1 4.316 0.000 . . . . . A 4 THR HA . 19622 1 60 . 1 1 5 5 THR HB H 1 4.320 0.000 . . . . . A 4 THR HB . 19622 1 61 . 1 1 5 5 THR HG21 H 1 1.018 0.000 . . . . . A 4 THR HG21 . 19622 1 62 . 1 1 5 5 THR HG22 H 1 1.018 0.000 . . . . . A 4 THR HG22 . 19622 1 63 . 1 1 5 5 THR HG23 H 1 1.018 0.000 . . . . . A 4 THR HG23 . 19622 1 64 . 1 1 5 5 THR C C 13 172.907 0.000 . . . . . A 4 THR C . 19622 1 65 . 1 1 5 5 THR CA C 13 63.342 0.000 . . . . . A 4 THR CA . 19622 1 66 . 1 1 5 5 THR CB C 13 69.170 0.000 . . . . . A 4 THR CB . 19622 1 67 . 1 1 5 5 THR CG2 C 13 20.463 0.000 . . . . . A 4 THR CG2 . 19622 1 68 . 1 1 5 5 THR N N 15 126.298 0.000 . . . . . A 4 THR N . 19622 1 69 . 1 1 6 6 LEU H H 1 9.554 0.000 . . . . . A 5 LEU H . 19622 1 70 . 1 1 6 6 LEU HA H 1 5.173 0.000 . . . . . A 5 LEU HA . 19622 1 71 . 1 1 6 6 LEU HB2 H 1 1.164 0.000 . . . . . A 5 LEU HB2 . 19622 1 72 . 1 1 6 6 LEU HB3 H 1 1.164 0.000 . . . . . A 5 LEU HB3 . 19622 1 73 . 1 1 6 6 LEU HG H 1 0.693 0.000 . . . . . A 5 LEU HG . 19622 1 74 . 1 1 6 6 LEU HD11 H 1 1.652 0.000 . . . . . A 5 LEU HD11 . 19622 1 75 . 1 1 6 6 LEU HD12 H 1 1.652 0.000 . . . . . A 5 LEU HD12 . 19622 1 76 . 1 1 6 6 LEU HD13 H 1 1.652 0.000 . . . . . A 5 LEU HD13 . 19622 1 77 . 1 1 6 6 LEU HD21 H 1 0.814 0.000 . . . . . A 5 LEU HD21 . 19622 1 78 . 1 1 6 6 LEU HD22 H 1 0.814 0.000 . . . . . A 5 LEU HD22 . 19622 1 79 . 1 1 6 6 LEU HD23 H 1 0.814 0.000 . . . . . A 5 LEU HD23 . 19622 1 80 . 1 1 6 6 LEU C C 13 174.969 0.000 . . . . . A 5 LEU C . 19622 1 81 . 1 1 6 6 LEU CA C 13 52.721 0.000 . . . . . A 5 LEU CA . 19622 1 82 . 1 1 6 6 LEU CB C 13 41.530 0.000 . . . . . A 5 LEU CB . 19622 1 83 . 1 1 6 6 LEU CG C 13 23.905 0.000 . . . . . A 5 LEU CG . 19622 1 84 . 1 1 6 6 LEU CD1 C 13 26.870 0.000 . . . . . A 5 LEU CD1 . 19622 1 85 . 1 1 6 6 LEU CD2 C 13 26.870 0.000 . . . . . A 5 LEU CD2 . 19622 1 86 . 1 1 6 6 LEU N N 15 130.058 0.000 . . . . . A 5 LEU N . 19622 1 87 . 1 1 7 7 LYS H H 1 9.072 0.000 . . . . . A 6 LYS H . 19622 1 88 . 1 1 7 7 LYS HA H 1 4.884 0.000 . . . . . A 6 LYS HA . 19622 1 89 . 1 1 7 7 LYS HB2 H 1 1.776 0.000 . . . . . A 6 LYS HB2 . 19622 1 90 . 1 1 7 7 LYS HB3 H 1 1.591 0.000 . . . . . A 6 LYS HB3 . 19622 1 91 . 1 1 7 7 LYS HG2 H 1 1.268 0.000 . . . . . A 6 LYS HG2 . 19622 1 92 . 1 1 7 7 LYS HG3 H 1 1.268 0.000 . . . . . A 6 LYS HG3 . 19622 1 93 . 1 1 7 7 LYS HD2 H 1 1.427 0.000 . . . . . A 6 LYS HD2 . 19622 1 94 . 1 1 7 7 LYS HD3 H 1 1.584 0.000 . . . . . A 6 LYS HD3 . 19622 1 95 . 1 1 7 7 LYS HE2 H 1 2.982 0.000 . . . . . A 6 LYS HE2 . 19622 1 96 . 1 1 7 7 LYS HE3 H 1 2.834 0.000 . . . . . A 6 LYS HE3 . 19622 1 97 . 1 1 7 7 LYS C C 13 175.730 0.000 . . . . . A 6 LYS C . 19622 1 98 . 1 1 7 7 LYS CA C 13 55.335 0.000 . . . . . A 6 LYS CA . 19622 1 99 . 1 1 7 7 LYS CB C 13 31.006 0.000 . . . . . A 6 LYS CB . 19622 1 100 . 1 1 7 7 LYS CG C 13 23.274 0.000 . . . . . A 6 LYS CG . 19622 1 101 . 1 1 7 7 LYS CD C 13 28.655 0.000 . . . . . A 6 LYS CD . 19622 1 102 . 1 1 7 7 LYS CE C 13 40.978 0.000 . . . . . A 6 LYS CE . 19622 1 103 . 1 1 7 7 LYS N N 15 124.882 0.000 . . . . . A 6 LYS N . 19622 1 104 . 1 1 8 8 THR H H 1 7.750 0.000 . . . . . A 7 THR H . 19622 1 105 . 1 1 8 8 THR HA H 1 5.708 0.000 . . . . . A 7 THR HA . 19622 1 106 . 1 1 8 8 THR HB H 1 4.496 0.000 . . . . . A 7 THR HB . 19622 1 107 . 1 1 8 8 THR HG21 H 1 1.343 0.000 . . . . . A 7 THR HG21 . 19622 1 108 . 1 1 8 8 THR HG22 H 1 1.343 0.000 . . . . . A 7 THR HG22 . 19622 1 109 . 1 1 8 8 THR HG23 H 1 1.343 0.000 . . . . . A 7 THR HG23 . 19622 1 110 . 1 1 8 8 THR CA C 13 59.875 0.000 . . . . . A 7 THR CA . 19622 1 111 . 1 1 8 8 THR CB C 13 69.582 0.000 . . . . . A 7 THR CB . 19622 1 112 . 1 1 8 8 THR CG2 C 13 20.376 0.000 . . . . . A 7 THR CG2 . 19622 1 113 . 1 1 8 8 THR N N 15 117.987 0.000 . . . . . A 7 THR N . 19622 1 114 . 1 1 9 9 PRO HA H 1 4.334 0.000 . . . . . A 8 PRO HA . 19622 1 115 . 1 1 9 9 PRO HB2 H 1 2.322 0.000 . . . . . A 8 PRO HB2 . 19622 1 116 . 1 1 9 9 PRO HB3 H 1 1.682 0.000 . . . . . A 8 PRO HB3 . 19622 1 117 . 1 1 9 9 PRO HG2 H 1 1.693 0.000 . . . . . A 8 PRO HG2 . 19622 1 118 . 1 1 9 9 PRO HG3 H 1 1.306 0.000 . . . . . A 8 PRO HG3 . 19622 1 119 . 1 1 9 9 PRO HD2 H 1 3.591 0.000 . . . . . A 8 PRO HD2 . 19622 1 120 . 1 1 9 9 PRO HD3 H 1 3.141 0.000 . . . . . A 8 PRO HD3 . 19622 1 121 . 1 1 9 9 PRO C C 13 177.136 0.000 . . . . . A 8 PRO C . 19622 1 122 . 1 1 9 9 PRO CA C 13 64.777 0.000 . . . . . A 8 PRO CA . 19622 1 123 . 1 1 9 9 PRO CB C 13 31.734 0.000 . . . . . A 8 PRO CB . 19622 1 124 . 1 1 9 9 PRO CG C 13 27.543 0.000 . . . . . A 8 PRO CG . 19622 1 125 . 1 1 9 9 PRO CD C 13 51.436 0.000 . . . . . A 8 PRO CD . 19622 1 126 . 1 1 10 10 SER H H 1 7.739 0.000 . . . . . A 9 SER H . 19622 1 127 . 1 1 10 10 SER HA H 1 4.629 0.000 . . . . . A 9 SER HA . 19622 1 128 . 1 1 10 10 SER HB2 H 1 3.875 0.000 . . . . . A 9 SER HB2 . 19622 1 129 . 1 1 10 10 SER HB3 H 1 3.838 0.000 . . . . . A 9 SER HB3 . 19622 1 130 . 1 1 10 10 SER C C 13 173.571 0.000 . . . . . A 9 SER C . 19622 1 131 . 1 1 10 10 SER CA C 13 57.371 0.000 . . . . . A 9 SER CA . 19622 1 132 . 1 1 10 10 SER CB C 13 63.513 0.000 . . . . . A 9 SER CB . 19622 1 133 . 1 1 10 10 SER N N 15 109.200 0.000 . . . . . A 9 SER N . 19622 1 134 . 1 1 11 11 GLY H H 1 7.526 0.000 . . . . . A 10 GLY H . 19622 1 135 . 1 1 11 11 GLY HA2 H 1 3.797 0.000 . . . . . A 10 GLY HA2 . 19622 1 136 . 1 1 11 11 GLY HA3 H 1 4.665 0.000 . . . . . A 10 GLY HA3 . 19622 1 137 . 1 1 11 11 GLY C C 13 174.096 0.000 . . . . . A 10 GLY C . 19622 1 138 . 1 1 11 11 GLY CA C 13 43.987 0.000 . . . . . A 10 GLY CA . 19622 1 139 . 1 1 11 11 GLY N N 15 110.027 0.000 . . . . . A 10 GLY N . 19622 1 140 . 1 1 12 12 ASP H H 1 8.808 0.000 . . . . . A 11 ASP H . 19622 1 141 . 1 1 12 12 ASP HA H 1 5.670 0.000 . . . . . A 11 ASP HA . 19622 1 142 . 1 1 12 12 ASP HB2 H 1 2.590 0.000 . . . . . A 11 ASP HB2 . 19622 1 143 . 1 1 12 12 ASP HB3 H 1 2.360 0.000 . . . . . A 11 ASP HB3 . 19622 1 144 . 1 1 12 12 ASP C C 13 176.750 0.000 . . . . . A 11 ASP C . 19622 1 145 . 1 1 12 12 ASP CA C 13 53.710 0.000 . . . . . A 11 ASP CA . 19622 1 146 . 1 1 12 12 ASP CB C 13 41.085 0.000 . . . . . A 11 ASP CB . 19622 1 147 . 1 1 12 12 ASP N N 15 123.154 0.000 . . . . . A 11 ASP N . 19622 1 148 . 1 1 13 13 LYS H H 1 9.108 0.000 . . . . . A 12 LYS H . 19622 1 149 . 1 1 13 13 LYS HA H 1 4.678 0.000 . . . . . A 12 LYS HA . 19622 1 150 . 1 1 13 13 LYS HB2 H 1 1.794 0.000 . . . . . A 12 LYS HB2 . 19622 1 151 . 1 1 13 13 LYS HB3 H 1 1.794 0.000 . . . . . A 12 LYS HB3 . 19622 1 152 . 1 1 13 13 LYS HG2 H 1 1.433 0.000 . . . . . A 12 LYS HG2 . 19622 1 153 . 1 1 13 13 LYS HG3 H 1 1.371 0.000 . . . . . A 12 LYS HG3 . 19622 1 154 . 1 1 13 13 LYS HD2 H 1 1.697 0.000 . . . . . A 12 LYS HD2 . 19622 1 155 . 1 1 13 13 LYS HD3 H 1 1.697 0.000 . . . . . A 12 LYS HD3 . 19622 1 156 . 1 1 13 13 LYS HE2 H 1 2.903 0.000 . . . . . A 12 LYS HE2 . 19622 1 157 . 1 1 13 13 LYS HE3 H 1 2.884 0.000 . . . . . A 12 LYS HE3 . 19622 1 158 . 1 1 13 13 LYS C C 13 174.777 0.000 . . . . . A 12 LYS C . 19622 1 159 . 1 1 13 13 LYS CA C 13 55.024 0.000 . . . . . A 12 LYS CA . 19622 1 160 . 1 1 13 13 LYS CB C 13 36.206 0.000 . . . . . A 12 LYS CB . 19622 1 161 . 1 1 13 13 LYS CG C 13 24.680 0.000 . . . . . A 12 LYS CG . 19622 1 162 . 1 1 13 13 LYS CD C 13 28.925 0.000 . . . . . A 12 LYS CD . 19622 1 163 . 1 1 13 13 LYS CE C 13 42.351 0.000 . . . . . A 12 LYS CE . 19622 1 164 . 1 1 13 13 LYS N N 15 123.685 0.000 . . . . . A 12 LYS N . 19622 1 165 . 1 1 14 14 THR H H 1 8.935 0.000 . . . . . A 13 THR H . 19622 1 166 . 1 1 14 14 THR HA H 1 5.314 0.000 . . . . . A 13 THR HA . 19622 1 167 . 1 1 14 14 THR HB H 1 3.911 0.000 . . . . . A 13 THR HB . 19622 1 168 . 1 1 14 14 THR HG21 H 1 1.086 0.000 . . . . . A 13 THR HG21 . 19622 1 169 . 1 1 14 14 THR HG22 H 1 1.086 0.000 . . . . . A 13 THR HG22 . 19622 1 170 . 1 1 14 14 THR HG23 H 1 1.086 0.000 . . . . . A 13 THR HG23 . 19622 1 171 . 1 1 14 14 THR C C 13 174.082 0.000 . . . . . A 13 THR C . 19622 1 172 . 1 1 14 14 THR CA C 13 62.397 0.000 . . . . . A 13 THR CA . 19622 1 173 . 1 1 14 14 THR CB C 13 69.809 0.000 . . . . . A 13 THR CB . 19622 1 174 . 1 1 14 14 THR CG2 C 13 21.741 0.000 . . . . . A 13 THR CG2 . 19622 1 175 . 1 1 14 14 THR N N 15 122.136 0.000 . . . . . A 13 THR N . 19622 1 176 . 1 1 15 15 ILE H H 1 9.113 0.000 . . . . . A 14 ILE H . 19622 1 177 . 1 1 15 15 ILE HA H 1 4.828 0.000 . . . . . A 14 ILE HA . 19622 1 178 . 1 1 15 15 ILE HB H 1 1.990 0.000 . . . . . A 14 ILE HB . 19622 1 179 . 1 1 15 15 ILE HG12 H 1 1.285 0.000 . . . . . A 14 ILE HG12 . 19622 1 180 . 1 1 15 15 ILE HG13 H 1 1.179 0.000 . . . . . A 14 ILE HG13 . 19622 1 181 . 1 1 15 15 ILE HG21 H 1 0.791 0.000 . . . . . A 14 ILE HG21 . 19622 1 182 . 1 1 15 15 ILE HG22 H 1 0.791 0.000 . . . . . A 14 ILE HG22 . 19622 1 183 . 1 1 15 15 ILE HG23 H 1 0.791 0.000 . . . . . A 14 ILE HG23 . 19622 1 184 . 1 1 15 15 ILE HD11 H 1 0.687 0.000 . . . . . A 14 ILE HD11 . 19622 1 185 . 1 1 15 15 ILE HD12 H 1 0.687 0.000 . . . . . A 14 ILE HD12 . 19622 1 186 . 1 1 15 15 ILE HD13 H 1 0.687 0.000 . . . . . A 14 ILE HD13 . 19622 1 187 . 1 1 15 15 ILE C C 13 174.083 0.000 . . . . . A 14 ILE C . 19622 1 188 . 1 1 15 15 ILE CA C 13 58.456 0.000 . . . . . A 14 ILE CA . 19622 1 189 . 1 1 15 15 ILE CB C 13 41.510 0.000 . . . . . A 14 ILE CB . 19622 1 190 . 1 1 15 15 ILE CG1 C 13 25.876 0.000 . . . . . A 14 ILE CG1 . 19622 1 191 . 1 1 15 15 ILE CG2 C 13 17.954 0.000 . . . . . A 14 ILE CG2 . 19622 1 192 . 1 1 15 15 ILE CD1 C 13 14.497 0.000 . . . . . A 14 ILE CD1 . 19622 1 193 . 1 1 15 15 ILE N N 15 122.466 0.000 . . . . . A 14 ILE N . 19622 1 194 . 1 1 16 16 GLU H H 1 8.510 0.000 . . . . . A 15 GLU H . 19622 1 195 . 1 1 16 16 GLU HA H 1 4.928 0.000 . . . . . A 15 GLU HA . 19622 1 196 . 1 1 16 16 GLU HB2 H 1 1.996 0.000 . . . . . A 15 GLU HB2 . 19622 1 197 . 1 1 16 16 GLU HB3 H 1 1.905 0.000 . . . . . A 15 GLU HB3 . 19622 1 198 . 1 1 16 16 GLU HG2 H 1 2.258 0.000 . . . . . A 15 GLU HG2 . 19622 1 199 . 1 1 16 16 GLU HG3 H 1 2.006 0.000 . . . . . A 15 GLU HG3 . 19622 1 200 . 1 1 16 16 GLU C C 13 175.553 0.000 . . . . . A 15 GLU C . 19622 1 201 . 1 1 16 16 GLU CA C 13 55.179 0.000 . . . . . A 15 GLU CA . 19622 1 202 . 1 1 16 16 GLU CB C 13 31.093 0.000 . . . . . A 15 GLU CB . 19622 1 203 . 1 1 16 16 GLU CG C 13 36.956 0.000 . . . . . A 15 GLU CG . 19622 1 204 . 1 1 16 16 GLU N N 15 121.208 0.000 . . . . . A 15 GLU N . 19622 1 205 . 1 1 17 17 CYS H H 1 9.306 0.000 . . . . . A 16 CYS H . 19622 1 206 . 1 1 17 17 CYS HA H 1 5.086 0.000 . . . . . A 16 CYS HA . 19622 1 207 . 1 1 17 17 CYS HB2 H 1 3.009 0.000 . . . . . A 16 CYS HB2 . 19622 1 208 . 1 1 17 17 CYS HB3 H 1 3.009 0.000 . . . . . A 16 CYS HB3 . 19622 1 209 . 1 1 17 17 CYS CA C 13 55.661 0.000 . . . . . A 16 CYS CA . 19622 1 210 . 1 1 17 17 CYS CB C 13 31.298 0.000 . . . . . A 16 CYS CB . 19622 1 211 . 1 1 17 17 CYS N N 15 125.232 0.000 . . . . . A 16 CYS N . 19622 1 212 . 1 1 18 18 PRO HA H 1 4.535 0.000 . . . . . A 17 PRO HA . 19622 1 213 . 1 1 18 18 PRO HB2 H 1 2.465 0.000 . . . . . A 17 PRO HB2 . 19622 1 214 . 1 1 18 18 PRO HB3 H 1 2.127 0.000 . . . . . A 17 PRO HB3 . 19622 1 215 . 1 1 18 18 PRO HG2 H 1 2.188 0.000 . . . . . A 17 PRO HG2 . 19622 1 216 . 1 1 18 18 PRO HG3 H 1 1.989 0.000 . . . . . A 17 PRO HG3 . 19622 1 217 . 1 1 18 18 PRO HD2 H 1 3.998 0.000 . . . . . A 17 PRO HD2 . 19622 1 218 . 1 1 18 18 PRO HD3 H 1 3.779 0.000 . . . . . A 17 PRO HD3 . 19622 1 219 . 1 1 18 18 PRO C C 13 175.733 0.000 . . . . . A 17 PRO C . 19622 1 220 . 1 1 18 18 PRO CA C 13 62.890 0.000 . . . . . A 17 PRO CA . 19622 1 221 . 1 1 18 18 PRO CB C 13 33.142 0.000 . . . . . A 17 PRO CB . 19622 1 222 . 1 1 18 18 PRO CG C 13 27.833 0.000 . . . . . A 17 PRO CG . 19622 1 223 . 1 1 18 18 PRO CD C 13 51.969 0.000 . . . . . A 17 PRO CD . 19622 1 224 . 1 1 19 19 ALA H H 1 8.622 0.000 . . . . . A 18 ALA H . 19622 1 225 . 1 1 19 19 ALA HA H 1 4.252 0.000 . . . . . A 18 ALA HA . 19622 1 226 . 1 1 19 19 ALA HB1 H 1 1.472 0.000 . . . . . A 18 ALA HB1 . 19622 1 227 . 1 1 19 19 ALA HB2 H 1 1.472 0.000 . . . . . A 18 ALA HB2 . 19622 1 228 . 1 1 19 19 ALA HB3 H 1 1.472 0.000 . . . . . A 18 ALA HB3 . 19622 1 229 . 1 1 19 19 ALA C C 13 177.177 0.000 . . . . . A 18 ALA C . 19622 1 230 . 1 1 19 19 ALA CA C 13 53.953 0.000 . . . . . A 18 ALA CA . 19622 1 231 . 1 1 19 19 ALA CB C 13 19.449 0.000 . . . . . A 18 ALA CB . 19622 1 232 . 1 1 19 19 ALA N N 15 120.277 0.000 . . . . . A 18 ALA N . 19622 1 233 . 1 1 20 20 ASP H H 1 7.950 0.000 . . . . . A 19 ASP H . 19622 1 234 . 1 1 20 20 ASP HA H 1 4.123 0.000 . . . . . A 19 ASP HA . 19622 1 235 . 1 1 20 20 ASP HB2 H 1 2.853 0.000 . . . . . A 19 ASP HB2 . 19622 1 236 . 1 1 20 20 ASP HB3 H 1 2.317 0.000 . . . . . A 19 ASP HB3 . 19622 1 237 . 1 1 20 20 ASP C C 13 175.263 0.000 . . . . . A 19 ASP C . 19622 1 238 . 1 1 20 20 ASP CA C 13 52.705 0.000 . . . . . A 19 ASP CA . 19622 1 239 . 1 1 20 20 ASP CB C 13 39.747 0.000 . . . . . A 19 ASP CB . 19622 1 240 . 1 1 20 20 ASP N N 15 112.081 0.000 . . . . . A 19 ASP N . 19622 1 241 . 1 1 21 21 THR H H 1 7.550 0.000 . . . . . A 20 THR H . 19622 1 242 . 1 1 21 21 THR HA H 1 4.555 0.000 . . . . . A 20 THR HA . 19622 1 243 . 1 1 21 21 THR HB H 1 3.944 0.000 . . . . . A 20 THR HB . 19622 1 244 . 1 1 21 21 THR HG21 H 1 1.467 0.000 . . . . . A 20 THR HG21 . 19622 1 245 . 1 1 21 21 THR HG22 H 1 1.467 0.000 . . . . . A 20 THR HG22 . 19622 1 246 . 1 1 21 21 THR HG23 H 1 1.467 0.000 . . . . . A 20 THR HG23 . 19622 1 247 . 1 1 21 21 THR C C 13 171.521 0.000 . . . . . A 20 THR C . 19622 1 248 . 1 1 21 21 THR CA C 13 61.849 0.000 . . . . . A 20 THR CA . 19622 1 249 . 1 1 21 21 THR CB C 13 72.498 0.000 . . . . . A 20 THR CB . 19622 1 250 . 1 1 21 21 THR CG2 C 13 21.427 0.000 . . . . . A 20 THR CG2 . 19622 1 251 . 1 1 21 21 THR N N 15 117.760 0.000 . . . . . A 20 THR N . 19622 1 252 . 1 1 22 22 TYR H H 1 8.594 0.000 . . . . . A 21 TYR H . 19622 1 253 . 1 1 22 22 TYR HA H 1 4.690 0.000 . . . . . A 21 TYR HA . 19622 1 254 . 1 1 22 22 TYR HB2 H 1 2.780 0.000 . . . . . A 21 TYR HB2 . 19622 1 255 . 1 1 22 22 TYR HB3 H 1 2.780 0.000 . . . . . A 21 TYR HB3 . 19622 1 256 . 1 1 22 22 TYR HD1 H 1 6.944 0.000 . . . . . A 21 TYR HD1 . 19622 1 257 . 1 1 22 22 TYR HD2 H 1 6.308 0.000 . . . . . A 21 TYR HD2 . 19622 1 258 . 1 1 22 22 TYR HE1 H 1 6.730 0.000 . . . . . A 21 TYR HE1 . 19622 1 259 . 1 1 22 22 TYR HE2 H 1 6.730 0.000 . . . . . A 21 TYR HE2 . 19622 1 260 . 1 1 22 22 TYR C C 13 171.626 0.000 . . . . . A 21 TYR C . 19622 1 261 . 1 1 22 22 TYR CA C 13 55.120 0.000 . . . . . A 21 TYR CA . 19622 1 262 . 1 1 22 22 TYR CB C 13 38.570 0.000 . . . . . A 21 TYR CB . 19622 1 263 . 1 1 22 22 TYR CD1 C 13 132.992 0.000 . . . . . A 21 TYR CD1 . 19622 1 264 . 1 1 22 22 TYR CD2 C 13 131.991 0.000 . . . . . A 21 TYR CD2 . 19622 1 265 . 1 1 22 22 TYR CE1 C 13 118.100 0.000 . . . . . A 21 TYR CE1 . 19622 1 266 . 1 1 22 22 TYR CE2 C 13 118.100 0.000 . . . . . A 21 TYR CE2 . 19622 1 267 . 1 1 22 22 TYR N N 15 124.181 0.000 . . . . . A 21 TYR N . 19622 1 268 . 1 1 23 23 ILE H H 1 9.140 0.000 . . . . . A 22 ILE H . 19622 1 269 . 1 1 23 23 ILE HA H 1 3.715 0.000 . . . . . A 22 ILE HA . 19622 1 270 . 1 1 23 23 ILE HB H 1 1.843 0.000 . . . . . A 22 ILE HB . 19622 1 271 . 1 1 23 23 ILE HG12 H 1 2.007 0.000 . . . . . A 22 ILE HG12 . 19622 1 272 . 1 1 23 23 ILE HG13 H 1 1.157 0.000 . . . . . A 22 ILE HG13 . 19622 1 273 . 1 1 23 23 ILE HG21 H 1 0.741 0.000 . . . . . A 22 ILE HG21 . 19622 1 274 . 1 1 23 23 ILE HG22 H 1 0.741 0.000 . . . . . A 22 ILE HG22 . 19622 1 275 . 1 1 23 23 ILE HG23 H 1 0.741 0.000 . . . . . A 22 ILE HG23 . 19622 1 276 . 1 1 23 23 ILE HD11 H 1 0.702 0.000 . . . . . A 22 ILE HD11 . 19622 1 277 . 1 1 23 23 ILE HD12 H 1 0.702 0.000 . . . . . A 22 ILE HD12 . 19622 1 278 . 1 1 23 23 ILE HD13 H 1 0.702 0.000 . . . . . A 22 ILE HD13 . 19622 1 279 . 1 1 23 23 ILE C C 13 177.421 0.000 . . . . . A 22 ILE C . 19622 1 280 . 1 1 23 23 ILE CA C 13 65.441 0.000 . . . . . A 22 ILE CA . 19622 1 281 . 1 1 23 23 ILE CB C 13 38.297 0.000 . . . . . A 22 ILE CB . 19622 1 282 . 1 1 23 23 ILE CG1 C 13 30.415 0.000 . . . . . A 22 ILE CG1 . 19622 1 283 . 1 1 23 23 ILE CG2 C 13 16.570 0.000 . . . . . A 22 ILE CG2 . 19622 1 284 . 1 1 23 23 ILE CD1 C 13 13.209 0.000 . . . . . A 22 ILE CD1 . 19622 1 285 . 1 1 23 23 ILE N N 15 120.076 0.000 . . . . . A 22 ILE N . 19622 1 286 . 1 1 24 24 LEU H H 1 7.382 0.000 . . . . . A 23 LEU H . 19622 1 287 . 1 1 24 24 LEU HA H 1 3.869 0.000 . . . . . A 23 LEU HA . 19622 1 288 . 1 1 24 24 LEU HB2 H 1 1.322 0.000 . . . . . A 23 LEU HB2 . 19622 1 289 . 1 1 24 24 LEU HB3 H 1 1.322 0.000 . . . . . A 23 LEU HB3 . 19622 1 290 . 1 1 24 24 LEU HG H 1 1.472 0.000 . . . . . A 23 LEU HG . 19622 1 291 . 1 1 24 24 LEU HD11 H 1 0.885 0.000 . . . . . A 23 LEU HD11 . 19622 1 292 . 1 1 24 24 LEU HD12 H 1 0.885 0.000 . . . . . A 23 LEU HD12 . 19622 1 293 . 1 1 24 24 LEU HD13 H 1 0.885 0.000 . . . . . A 23 LEU HD13 . 19622 1 294 . 1 1 24 24 LEU HD21 H 1 0.885 0.000 . . . . . A 23 LEU HD21 . 19622 1 295 . 1 1 24 24 LEU HD22 H 1 0.885 0.000 . . . . . A 23 LEU HD22 . 19622 1 296 . 1 1 24 24 LEU HD23 H 1 0.885 0.000 . . . . . A 23 LEU HD23 . 19622 1 297 . 1 1 24 24 LEU C C 13 176.741 0.000 . . . . . A 23 LEU C . 19622 1 298 . 1 1 24 24 LEU CA C 13 57.892 0.000 . . . . . A 23 LEU CA . 19622 1 299 . 1 1 24 24 LEU CB C 13 42.629 0.000 . . . . . A 23 LEU CB . 19622 1 300 . 1 1 24 24 LEU CG C 13 26.980 0.000 . . . . . A 23 LEU CG . 19622 1 301 . 1 1 24 24 LEU CD1 C 13 25.040 0.000 . . . . . A 23 LEU CD1 . 19622 1 302 . 1 1 24 24 LEU CD2 C 13 25.040 0.000 . . . . . A 23 LEU CD2 . 19622 1 303 . 1 1 24 24 LEU N N 15 115.378 0.000 . . . . . A 23 LEU N . 19622 1 304 . 1 1 25 25 ASP H H 1 6.747 0.000 . . . . . A 24 ASP H . 19622 1 305 . 1 1 25 25 ASP HA H 1 4.314 0.000 . . . . . A 24 ASP HA . 19622 1 306 . 1 1 25 25 ASP HB2 H 1 2.854 0.000 . . . . . A 24 ASP HB2 . 19622 1 307 . 1 1 25 25 ASP HB3 H 1 2.749 0.000 . . . . . A 24 ASP HB3 . 19622 1 308 . 1 1 25 25 ASP C C 13 178.902 0.000 . . . . . A 24 ASP C . 19622 1 309 . 1 1 25 25 ASP CA C 13 57.792 0.000 . . . . . A 24 ASP CA . 19622 1 310 . 1 1 25 25 ASP CB C 13 39.971 0.000 . . . . . A 24 ASP CB . 19622 1 311 . 1 1 25 25 ASP N N 15 116.687 0.000 . . . . . A 24 ASP N . 19622 1 312 . 1 1 26 26 ALA H H 1 8.045 0.000 . . . . . A 25 ALA H . 19622 1 313 . 1 1 26 26 ALA HA H 1 4.231 0.000 . . . . . A 25 ALA HA . 19622 1 314 . 1 1 26 26 ALA HB1 H 1 1.659 0.000 . . . . . A 25 ALA HB1 . 19622 1 315 . 1 1 26 26 ALA HB2 H 1 1.659 0.000 . . . . . A 25 ALA HB2 . 19622 1 316 . 1 1 26 26 ALA HB3 H 1 1.659 0.000 . . . . . A 25 ALA HB3 . 19622 1 317 . 1 1 26 26 ALA C C 13 180.559 0.000 . . . . . A 25 ALA C . 19622 1 318 . 1 1 26 26 ALA CA C 13 54.890 0.000 . . . . . A 25 ALA CA . 19622 1 319 . 1 1 26 26 ALA CB C 13 19.192 0.000 . . . . . A 25 ALA CB . 19622 1 320 . 1 1 26 26 ALA N N 15 122.742 0.000 . . . . . A 25 ALA N . 19622 1 321 . 1 1 27 27 ALA H H 1 8.701 0.000 . . . . . A 26 ALA H . 19622 1 322 . 1 1 27 27 ALA HA H 1 3.944 0.000 . . . . . A 26 ALA HA . 19622 1 323 . 1 1 27 27 ALA HB1 H 1 1.489 0.000 . . . . . A 26 ALA HB1 . 19622 1 324 . 1 1 27 27 ALA HB2 H 1 1.489 0.000 . . . . . A 26 ALA HB2 . 19622 1 325 . 1 1 27 27 ALA HB3 H 1 1.489 0.000 . . . . . A 26 ALA HB3 . 19622 1 326 . 1 1 27 27 ALA C C 13 179.219 0.000 . . . . . A 26 ALA C . 19622 1 327 . 1 1 27 27 ALA CA C 13 55.425 0.000 . . . . . A 26 ALA CA . 19622 1 328 . 1 1 27 27 ALA CB C 13 18.695 0.000 . . . . . A 26 ALA CB . 19622 1 329 . 1 1 27 27 ALA N N 15 122.264 0.000 . . . . . A 26 ALA N . 19622 1 330 . 1 1 28 28 GLU H H 1 8.567 0.000 . . . . . A 27 GLU H . 19622 1 331 . 1 1 28 28 GLU HA H 1 4.303 0.000 . . . . . A 27 GLU HA . 19622 1 332 . 1 1 28 28 GLU HB2 H 1 2.308 0.000 . . . . . A 27 GLU HB2 . 19622 1 333 . 1 1 28 28 GLU HB3 H 1 2.063 0.000 . . . . . A 27 GLU HB3 . 19622 1 334 . 1 1 28 28 GLU HG2 H 1 2.602 0.000 . . . . . A 27 GLU HG2 . 19622 1 335 . 1 1 28 28 GLU HG3 H 1 2.358 0.000 . . . . . A 27 GLU HG3 . 19622 1 336 . 1 1 28 28 GLU C C 13 169.931 0.000 . . . . . A 27 GLU C . 19622 1 337 . 1 1 28 28 GLU CA C 13 59.543 0.000 . . . . . A 27 GLU CA . 19622 1 338 . 1 1 28 28 GLU CB C 13 29.458 0.000 . . . . . A 27 GLU CB . 19622 1 339 . 1 1 28 28 GLU CG C 13 36.835 0.000 . . . . . A 27 GLU CG . 19622 1 340 . 1 1 28 28 GLU N N 15 119.508 0.000 . . . . . A 27 GLU N . 19622 1 341 . 1 1 29 29 GLU H H 1 8.164 0.000 . . . . . A 28 GLU H . 19622 1 342 . 1 1 29 29 GLU HA H 1 4.105 0.000 . . . . . A 28 GLU HA . 19622 1 343 . 1 1 29 29 GLU HB2 H 1 2.201 0.000 . . . . . A 28 GLU HB2 . 19622 1 344 . 1 1 29 29 GLU HB3 H 1 2.054 0.000 . . . . . A 28 GLU HB3 . 19622 1 345 . 1 1 29 29 GLU HG2 H 1 2.265 0.000 . . . . . A 28 GLU HG2 . 19622 1 346 . 1 1 29 29 GLU HG3 H 1 2.265 0.000 . . . . . A 28 GLU HG3 . 19622 1 347 . 1 1 29 29 GLU C C 13 177.634 0.000 . . . . . A 28 GLU C . 19622 1 348 . 1 1 29 29 GLU CA C 13 59.264 0.000 . . . . . A 28 GLU CA . 19622 1 349 . 1 1 29 29 GLU CB C 13 29.055 0.000 . . . . . A 28 GLU CB . 19622 1 350 . 1 1 29 29 GLU CG C 13 36.605 0.000 . . . . . A 28 GLU CG . 19622 1 351 . 1 1 29 29 GLU N N 15 122.658 0.000 . . . . . A 28 GLU N . 19622 1 352 . 1 1 30 30 ALA H H 1 7.433 0.000 . . . . . A 29 ALA H . 19622 1 353 . 1 1 30 30 ALA HA H 1 4.476 0.000 . . . . . A 29 ALA HA . 19622 1 354 . 1 1 30 30 ALA HB1 H 1 1.608 0.000 . . . . . A 29 ALA HB1 . 19622 1 355 . 1 1 30 30 ALA HB2 H 1 1.608 0.000 . . . . . A 29 ALA HB2 . 19622 1 356 . 1 1 30 30 ALA HB3 H 1 1.608 0.000 . . . . . A 29 ALA HB3 . 19622 1 357 . 1 1 30 30 ALA C C 13 177.282 0.000 . . . . . A 29 ALA C . 19622 1 358 . 1 1 30 30 ALA CA C 13 52.052 0.000 . . . . . A 29 ALA CA . 19622 1 359 . 1 1 30 30 ALA CB C 13 19.115 0.000 . . . . . A 29 ALA CB . 19622 1 360 . 1 1 30 30 ALA N N 15 119.216 0.000 . . . . . A 29 ALA N . 19622 1 361 . 1 1 31 31 GLY H H 1 7.932 0.000 . . . . . A 30 GLY H . 19622 1 362 . 1 1 31 31 GLY HA2 H 1 4.218 0.000 . . . . . A 30 GLY HA2 . 19622 1 363 . 1 1 31 31 GLY HA3 H 1 3.843 0.000 . . . . . A 30 GLY HA3 . 19622 1 364 . 1 1 31 31 GLY C C 13 174.629 0.000 . . . . . A 30 GLY C . 19622 1 365 . 1 1 31 31 GLY CA C 13 45.391 0.000 . . . . . A 30 GLY CA . 19622 1 366 . 1 1 31 31 GLY N N 15 106.654 0.000 . . . . . A 30 GLY N . 19622 1 367 . 1 1 32 32 LEU H H 1 8.078 0.000 . . . . . A 31 LEU H . 19622 1 368 . 1 1 32 32 LEU HA H 1 4.456 0.000 . . . . . A 31 LEU HA . 19622 1 369 . 1 1 32 32 LEU HB2 H 1 1.556 0.000 . . . . . A 31 LEU HB2 . 19622 1 370 . 1 1 32 32 LEU HB3 H 1 1.556 0.000 . . . . . A 31 LEU HB3 . 19622 1 371 . 1 1 32 32 LEU HG H 1 1.632 0.000 . . . . . A 31 LEU HG . 19622 1 372 . 1 1 32 32 LEU HD11 H 1 0.868 0.000 . . . . . A 31 LEU HD11 . 19622 1 373 . 1 1 32 32 LEU HD12 H 1 0.868 0.000 . . . . . A 31 LEU HD12 . 19622 1 374 . 1 1 32 32 LEU HD13 H 1 0.868 0.000 . . . . . A 31 LEU HD13 . 19622 1 375 . 1 1 32 32 LEU HD21 H 1 0.852 0.000 . . . . . A 31 LEU HD21 . 19622 1 376 . 1 1 32 32 LEU HD22 H 1 0.852 0.000 . . . . . A 31 LEU HD22 . 19622 1 377 . 1 1 32 32 LEU HD23 H 1 0.852 0.000 . . . . . A 31 LEU HD23 . 19622 1 378 . 1 1 32 32 LEU C C 13 175.406 0.000 . . . . . A 31 LEU C . 19622 1 379 . 1 1 32 32 LEU CA C 13 54.656 0.000 . . . . . A 31 LEU CA . 19622 1 380 . 1 1 32 32 LEU CB C 13 42.629 0.000 . . . . . A 31 LEU CB . 19622 1 381 . 1 1 32 32 LEU CG C 13 27.811 0.000 . . . . . A 31 LEU CG . 19622 1 382 . 1 1 32 32 LEU CD1 C 13 25.984 0.000 . . . . . A 31 LEU CD1 . 19622 1 383 . 1 1 32 32 LEU CD2 C 13 24.030 0.000 . . . . . A 31 LEU CD2 . 19622 1 384 . 1 1 32 32 LEU N N 15 121.203 0.000 . . . . . A 31 LEU N . 19622 1 385 . 1 1 33 33 ASP H H 1 8.418 0.000 . . . . . A 32 ASP H . 19622 1 386 . 1 1 33 33 ASP HA H 1 4.909 0.000 . . . . . A 32 ASP HA . 19622 1 387 . 1 1 33 33 ASP HB2 H 1 2.753 0.000 . . . . . A 32 ASP HB2 . 19622 1 388 . 1 1 33 33 ASP HB3 H 1 2.586 0.000 . . . . . A 32 ASP HB3 . 19622 1 389 . 1 1 33 33 ASP C C 13 174.882 0.000 . . . . . A 32 ASP C . 19622 1 390 . 1 1 33 33 ASP CA C 13 53.119 0.000 . . . . . A 32 ASP CA . 19622 1 391 . 1 1 33 33 ASP CB C 13 41.068 0.000 . . . . . A 32 ASP CB . 19622 1 392 . 1 1 33 33 ASP N N 15 121.884 0.000 . . . . . A 32 ASP N . 19622 1 393 . 1 1 34 34 LEU H H 1 8.088 0.000 . . . . . A 33 LEU H . 19622 1 394 . 1 1 34 34 LEU HA H 1 4.665 0.000 . . . . . A 33 LEU HA . 19622 1 395 . 1 1 34 34 LEU HB2 H 1 1.433 0.000 . . . . . A 33 LEU HB2 . 19622 1 396 . 1 1 34 34 LEU HB3 H 1 1.237 0.000 . . . . . A 33 LEU HB3 . 19622 1 397 . 1 1 34 34 LEU HG H 1 1.015 0.000 . . . . . A 33 LEU HG . 19622 1 398 . 1 1 34 34 LEU HD11 H 1 0.829 0.000 . . . . . A 33 LEU HD11 . 19622 1 399 . 1 1 34 34 LEU HD12 H 1 0.829 0.000 . . . . . A 33 LEU HD12 . 19622 1 400 . 1 1 34 34 LEU HD13 H 1 0.829 0.000 . . . . . A 33 LEU HD13 . 19622 1 401 . 1 1 34 34 LEU HD21 H 1 1.016 0.000 . . . . . A 33 LEU HD21 . 19622 1 402 . 1 1 34 34 LEU HD22 H 1 1.016 0.000 . . . . . A 33 LEU HD22 . 19622 1 403 . 1 1 34 34 LEU HD23 H 1 1.016 0.000 . . . . . A 33 LEU HD23 . 19622 1 404 . 1 1 34 34 LEU CA C 13 51.940 0.000 . . . . . A 33 LEU CA . 19622 1 405 . 1 1 34 34 LEU CB C 13 42.403 0.000 . . . . . A 33 LEU CB . 19622 1 406 . 1 1 34 34 LEU CG C 13 27.771 0.000 . . . . . A 33 LEU CG . 19622 1 407 . 1 1 34 34 LEU CD1 C 13 25.574 0.000 . . . . . A 33 LEU CD1 . 19622 1 408 . 1 1 34 34 LEU CD2 C 13 23.360 0.000 . . . . . A 33 LEU CD2 . 19622 1 409 . 1 1 34 34 LEU N N 15 124.734 0.000 . . . . . A 33 LEU N . 19622 1 410 . 1 1 35 35 PRO HA H 1 4.372 0.000 . . . . . A 34 PRO HA . 19622 1 411 . 1 1 35 35 PRO HB2 H 1 2.016 0.000 . . . . . A 34 PRO HB2 . 19622 1 412 . 1 1 35 35 PRO HB3 H 1 1.839 0.000 . . . . . A 34 PRO HB3 . 19622 1 413 . 1 1 35 35 PRO HG2 H 1 1.852 0.000 . . . . . A 34 PRO HG2 . 19622 1 414 . 1 1 35 35 PRO HG3 H 1 1.586 0.000 . . . . . A 34 PRO HG3 . 19622 1 415 . 1 1 35 35 PRO HD2 H 1 3.068 0.000 . . . . . A 34 PRO HD2 . 19622 1 416 . 1 1 35 35 PRO HD3 H 1 2.778 0.000 . . . . . A 34 PRO HD3 . 19622 1 417 . 1 1 35 35 PRO CA C 13 62.760 0.000 . . . . . A 34 PRO CA . 19622 1 418 . 1 1 35 35 PRO CB C 13 32.298 0.000 . . . . . A 34 PRO CB . 19622 1 419 . 1 1 35 35 PRO CG C 13 28.162 0.000 . . . . . A 34 PRO CG . 19622 1 420 . 1 1 35 35 PRO CD C 13 49.222 0.000 . . . . . A 34 PRO CD . 19622 1 421 . 1 1 47 47 ALA HA H 1 4.729 0.000 . . . . . A 46 ALA HA . 19622 1 422 . 1 1 47 47 ALA HB1 H 1 1.628 0.000 . . . . . A 46 ALA HB1 . 19622 1 423 . 1 1 47 47 ALA HB2 H 1 1.628 0.000 . . . . . A 46 ALA HB2 . 19622 1 424 . 1 1 47 47 ALA HB3 H 1 1.628 0.000 . . . . . A 46 ALA HB3 . 19622 1 425 . 1 1 47 47 ALA C C 13 178.058 0.000 . . . . . A 46 ALA C . 19622 1 426 . 1 1 47 47 ALA CA C 13 53.204 0.000 . . . . . A 46 ALA CA . 19622 1 427 . 1 1 47 47 ALA CB C 13 18.088 0.000 . . . . . A 46 ALA CB . 19622 1 428 . 1 1 48 48 GLY H H 1 9.815 0.000 . . . . . A 47 GLY H . 19622 1 429 . 1 1 48 48 GLY HA2 H 1 4.831 0.000 . . . . . A 47 GLY HA2 . 19622 1 430 . 1 1 48 48 GLY HA3 H 1 3.299 0.000 . . . . . A 47 GLY HA3 . 19622 1 431 . 1 1 48 48 GLY C C 13 178.913 0.000 . . . . . A 47 GLY C . 19622 1 432 . 1 1 48 48 GLY CA C 13 44.047 0.000 . . . . . A 47 GLY CA . 19622 1 433 . 1 1 48 48 GLY N N 15 112.650 0.000 . . . . . A 47 GLY N . 19622 1 434 . 1 1 49 49 LYS H H 1 9.129 0.000 . . . . . A 48 LYS H . 19622 1 435 . 1 1 49 49 LYS HA H 1 4.936 0.000 . . . . . A 48 LYS HA . 19622 1 436 . 1 1 49 49 LYS HB2 H 1 1.292 0.000 . . . . . A 48 LYS HB2 . 19622 1 437 . 1 1 49 49 LYS HB3 H 1 1.525 0.000 . . . . . A 48 LYS HB3 . 19622 1 438 . 1 1 49 49 LYS HG2 H 1 0.652 0.000 . . . . . A 48 LYS HG2 . 19622 1 439 . 1 1 49 49 LYS HG3 H 1 0.652 0.000 . . . . . A 48 LYS HG3 . 19622 1 440 . 1 1 49 49 LYS HD2 H 1 1.157 0.000 . . . . . A 48 LYS HD2 . 19622 1 441 . 1 1 49 49 LYS HD3 H 1 1.157 0.000 . . . . . A 48 LYS HD3 . 19622 1 442 . 1 1 49 49 LYS HE2 H 1 2.409 0.000 . . . . . A 48 LYS HE2 . 19622 1 443 . 1 1 49 49 LYS HE3 H 1 2.327 0.000 . . . . . A 48 LYS HE3 . 19622 1 444 . 1 1 49 49 LYS C C 13 175.432 0.000 . . . . . A 48 LYS C . 19622 1 445 . 1 1 49 49 LYS CA C 13 54.866 0.000 . . . . . A 48 LYS CA . 19622 1 446 . 1 1 49 49 LYS CB C 13 36.588 0.000 . . . . . A 48 LYS CB . 19622 1 447 . 1 1 49 49 LYS CG C 13 25.314 0.000 . . . . . A 48 LYS CG . 19622 1 448 . 1 1 49 49 LYS CD C 13 28.999 0.000 . . . . . A 48 LYS CD . 19622 1 449 . 1 1 49 49 LYS CE C 13 41.720 0.000 . . . . . A 48 LYS CE . 19622 1 450 . 1 1 49 49 LYS N N 15 120.076 0.000 . . . . . A 48 LYS N . 19622 1 451 . 1 1 50 50 VAL H H 1 9.523 0.000 . . . . . A 49 VAL H . 19622 1 452 . 1 1 50 50 VAL HA H 1 3.940 0.000 . . . . . A 49 VAL HA . 19622 1 453 . 1 1 50 50 VAL HB H 1 2.005 0.000 . . . . . A 49 VAL HB . 19622 1 454 . 1 1 50 50 VAL HG11 H 1 0.743 0.000 . . . . . A 49 VAL HG11 . 19622 1 455 . 1 1 50 50 VAL HG12 H 1 0.743 0.000 . . . . . A 49 VAL HG12 . 19622 1 456 . 1 1 50 50 VAL HG13 H 1 0.743 0.000 . . . . . A 49 VAL HG13 . 19622 1 457 . 1 1 50 50 VAL HG21 H 1 0.687 0.000 . . . . . A 49 VAL HG21 . 19622 1 458 . 1 1 50 50 VAL HG22 H 1 0.687 0.000 . . . . . A 49 VAL HG22 . 19622 1 459 . 1 1 50 50 VAL HG23 H 1 0.687 0.000 . . . . . A 49 VAL HG23 . 19622 1 460 . 1 1 50 50 VAL C C 13 175.133 0.000 . . . . . A 49 VAL C . 19622 1 461 . 1 1 50 50 VAL CA C 13 63.365 0.000 . . . . . A 49 VAL CA . 19622 1 462 . 1 1 50 50 VAL CB C 13 31.981 0.000 . . . . . A 49 VAL CB . 19622 1 463 . 1 1 50 50 VAL CG1 C 13 21.700 0.000 . . . . . A 49 VAL CG1 . 19622 1 464 . 1 1 50 50 VAL CG2 C 13 21.692 0.000 . . . . . A 49 VAL CG2 . 19622 1 465 . 1 1 50 50 VAL N N 15 127.642 0.000 . . . . . A 49 VAL N . 19622 1 466 . 1 1 51 51 ALA H H 1 8.792 0.000 . . . . . A 50 ALA H . 19622 1 467 . 1 1 51 51 ALA HA H 1 4.433 0.000 . . . . . A 50 ALA HA . 19622 1 468 . 1 1 51 51 ALA HB1 H 1 1.248 0.000 . . . . . A 50 ALA HB1 . 19622 1 469 . 1 1 51 51 ALA HB2 H 1 1.248 0.000 . . . . . A 50 ALA HB2 . 19622 1 470 . 1 1 51 51 ALA HB3 H 1 1.248 0.000 . . . . . A 50 ALA HB3 . 19622 1 471 . 1 1 51 51 ALA C C 13 177.108 0.000 . . . . . A 50 ALA C . 19622 1 472 . 1 1 51 51 ALA CA C 13 52.234 0.000 . . . . . A 50 ALA CA . 19622 1 473 . 1 1 51 51 ALA CB C 13 19.925 0.000 . . . . . A 50 ALA CB . 19622 1 474 . 1 1 51 51 ALA N N 15 102.132 0.000 . . . . . A 50 ALA N . 19622 1 475 . 1 1 52 52 ALA H H 1 7.745 0.000 . . . . . A 51 ALA H . 19622 1 476 . 1 1 52 52 ALA HA H 1 4.500 0.000 . . . . . A 51 ALA HA . 19622 1 477 . 1 1 52 52 ALA HB1 H 1 1.375 0.000 . . . . . A 51 ALA HB1 . 19622 1 478 . 1 1 52 52 ALA HB2 H 1 1.375 0.000 . . . . . A 51 ALA HB2 . 19622 1 479 . 1 1 52 52 ALA HB3 H 1 1.375 0.000 . . . . . A 51 ALA HB3 . 19622 1 480 . 1 1 52 52 ALA C C 13 176.563 0.000 . . . . . A 51 ALA C . 19622 1 481 . 1 1 52 52 ALA CA C 13 52.396 0.000 . . . . . A 51 ALA CA . 19622 1 482 . 1 1 52 52 ALA CB C 13 21.708 0.000 . . . . . A 51 ALA CB . 19622 1 483 . 1 1 52 52 ALA N N 15 119.480 0.000 . . . . . A 51 ALA N . 19622 1 484 . 1 1 53 53 GLY H H 1 8.516 0.000 . . . . . A 52 GLY H . 19622 1 485 . 1 1 53 53 GLY HA2 H 1 4.412 0.000 . . . . . A 52 GLY HA2 . 19622 1 486 . 1 1 53 53 GLY HA3 H 1 3.766 0.000 . . . . . A 52 GLY HA3 . 19622 1 487 . 1 1 53 53 GLY C C 13 172.018 0.000 . . . . . A 52 GLY C . 19622 1 488 . 1 1 53 53 GLY CA C 13 44.029 0.000 . . . . . A 52 GLY CA . 19622 1 489 . 1 1 53 53 GLY N N 15 108.710 0.000 . . . . . A 52 GLY N . 19622 1 490 . 1 1 54 54 THR H H 1 7.932 0.000 . . . . . A 53 THR H . 19622 1 491 . 1 1 54 54 THR HA H 1 4.707 0.000 . . . . . A 53 THR HA . 19622 1 492 . 1 1 54 54 THR HB H 1 4.024 0.000 . . . . . A 53 THR HB . 19622 1 493 . 1 1 54 54 THR HG21 H 1 0.995 0.000 . . . . . A 53 THR HG21 . 19622 1 494 . 1 1 54 54 THR HG22 H 1 0.995 0.000 . . . . . A 53 THR HG22 . 19622 1 495 . 1 1 54 54 THR HG23 H 1 0.995 0.000 . . . . . A 53 THR HG23 . 19622 1 496 . 1 1 54 54 THR C C 13 173.198 0.000 . . . . . A 53 THR C . 19622 1 497 . 1 1 54 54 THR CA C 13 59.740 0.000 . . . . . A 53 THR CA . 19622 1 498 . 1 1 54 54 THR CB C 13 72.296 0.000 . . . . . A 53 THR CB . 19622 1 499 . 1 1 54 54 THR CG2 C 13 21.286 0.000 . . . . . A 53 THR CG2 . 19622 1 500 . 1 1 54 54 THR N N 15 106.654 0.000 . . . . . A 53 THR N . 19622 1 501 . 1 1 55 55 VAL H H 1 8.211 0.000 . . . . . A 54 VAL H . 19622 1 502 . 1 1 55 55 VAL HA H 1 5.030 0.000 . . . . . A 54 VAL HA . 19622 1 503 . 1 1 55 55 VAL HB H 1 1.928 0.000 . . . . . A 54 VAL HB . 19622 1 504 . 1 1 55 55 VAL HG11 H 1 0.733 0.000 . . . . . A 54 VAL HG11 . 19622 1 505 . 1 1 55 55 VAL HG12 H 1 0.733 0.000 . . . . . A 54 VAL HG12 . 19622 1 506 . 1 1 55 55 VAL HG13 H 1 0.733 0.000 . . . . . A 54 VAL HG13 . 19622 1 507 . 1 1 55 55 VAL HG21 H 1 0.642 0.000 . . . . . A 54 VAL HG21 . 19622 1 508 . 1 1 55 55 VAL HG22 H 1 0.642 0.000 . . . . . A 54 VAL HG22 . 19622 1 509 . 1 1 55 55 VAL HG23 H 1 0.642 0.000 . . . . . A 54 VAL HG23 . 19622 1 510 . 1 1 55 55 VAL C C 13 174.681 0.000 . . . . . A 54 VAL C . 19622 1 511 . 1 1 55 55 VAL CA C 13 58.343 0.000 . . . . . A 54 VAL CA . 19622 1 512 . 1 1 55 55 VAL CB C 13 36.031 0.000 . . . . . A 54 VAL CB . 19622 1 513 . 1 1 55 55 VAL CG1 C 13 22.038 0.000 . . . . . A 54 VAL CG1 . 19622 1 514 . 1 1 55 55 VAL CG2 C 13 18.157 0.000 . . . . . A 54 VAL CG2 . 19622 1 515 . 1 1 55 55 VAL N N 15 110.217 0.000 . . . . . A 54 VAL N . 19622 1 516 . 1 1 56 56 ASP H H 1 9.535 0.000 . . . . . A 55 ASP H . 19622 1 517 . 1 1 56 56 ASP HA H 1 5.019 0.000 . . . . . A 55 ASP HA . 19622 1 518 . 1 1 56 56 ASP HB2 H 1 2.982 0.000 . . . . . A 55 ASP HB2 . 19622 1 519 . 1 1 56 56 ASP HB3 H 1 2.673 0.000 . . . . . A 55 ASP HB3 . 19622 1 520 . 1 1 56 56 ASP C C 13 175.900 0.000 . . . . . A 55 ASP C . 19622 1 521 . 1 1 56 56 ASP CA C 13 53.179 0.000 . . . . . A 55 ASP CA . 19622 1 522 . 1 1 56 56 ASP CB C 13 43.430 0.000 . . . . . A 55 ASP CB . 19622 1 523 . 1 1 56 56 ASP N N 15 121.085 0.000 . . . . . A 55 ASP N . 19622 1 524 . 1 1 57 57 GLN H H 1 9.270 0.000 . . . . . A 56 GLN H . 19622 1 525 . 1 1 57 57 GLN HA H 1 5.532 0.000 . . . . . A 56 GLN HA . 19622 1 526 . 1 1 57 57 GLN HB2 H 1 2.410 0.000 . . . . . A 56 GLN HB2 . 19622 1 527 . 1 1 57 57 GLN HB3 H 1 1.430 0.000 . . . . . A 56 GLN HB3 . 19622 1 528 . 1 1 57 57 GLN HG2 H 1 2.465 0.000 . . . . . A 56 GLN HG2 . 19622 1 529 . 1 1 57 57 GLN HG3 H 1 2.194 0.000 . . . . . A 56 GLN HG3 . 19622 1 530 . 1 1 57 57 GLN HE21 H 1 7.299 0.000 . . . . . A 56 GLN HE21 . 19622 1 531 . 1 1 57 57 GLN HE22 H 1 7.024 0.000 . . . . . A 56 GLN HE22 . 19622 1 532 . 1 1 57 57 GLN C C 13 176.233 0.000 . . . . . A 56 GLN C . 19622 1 533 . 1 1 57 57 GLN CA C 13 53.067 0.000 . . . . . A 56 GLN CA . 19622 1 534 . 1 1 57 57 GLN CB C 13 28.423 0.000 . . . . . A 56 GLN CB . 19622 1 535 . 1 1 57 57 GLN CG C 13 32.106 0.000 . . . . . A 56 GLN CG . 19622 1 536 . 1 1 57 57 GLN CD C 13 178.137 0.000 . . . . . A 56 GLN CD . 19622 1 537 . 1 1 57 57 GLN N N 15 124.248 0.000 . . . . . A 56 GLN N . 19622 1 538 . 1 1 57 57 GLN NE2 N 15 108.671 0.000 . . . . . A 56 GLN NE2 . 19622 1 539 . 1 1 58 58 SER H H 1 8.491 0.000 . . . . . A 57 SER H . 19622 1 540 . 1 1 58 58 SER HA H 1 4.234 0.000 . . . . . A 57 SER HA . 19622 1 541 . 1 1 58 58 SER HB2 H 1 4.104 0.000 . . . . . A 57 SER HB2 . 19622 1 542 . 1 1 58 58 SER HB3 H 1 4.040 0.000 . . . . . A 57 SER HB3 . 19622 1 543 . 1 1 58 58 SER C C 13 175.154 0.000 . . . . . A 57 SER C . 19622 1 544 . 1 1 58 58 SER CA C 13 62.676 0.000 . . . . . A 57 SER CA . 19622 1 545 . 1 1 58 58 SER CB C 13 63.213 0.000 . . . . . A 57 SER CB . 19622 1 546 . 1 1 58 58 SER N N 15 118.299 0.000 . . . . . A 57 SER N . 19622 1 547 . 1 1 59 59 ASP H H 1 8.885 0.000 . . . . . A 58 ASP H . 19622 1 548 . 1 1 59 59 ASP HA H 1 4.719 0.000 . . . . . A 58 ASP HA . 19622 1 549 . 1 1 59 59 ASP HB2 H 1 2.608 0.000 . . . . . A 58 ASP HB2 . 19622 1 550 . 1 1 59 59 ASP HB3 H 1 2.855 0.000 . . . . . A 58 ASP HB3 . 19622 1 551 . 1 1 59 59 ASP C C 13 176.196 0.000 . . . . . A 58 ASP C . 19622 1 552 . 1 1 59 59 ASP CA C 13 55.408 0.000 . . . . . A 58 ASP CA . 19622 1 553 . 1 1 59 59 ASP CB C 13 40.293 0.000 . . . . . A 58 ASP CB . 19622 1 554 . 1 1 59 59 ASP N N 15 119.055 0.000 . . . . . A 58 ASP N . 19622 1 555 . 1 1 60 60 GLN H H 1 8.394 0.000 . . . . . A 59 GLN H . 19622 1 556 . 1 1 60 60 GLN HA H 1 4.215 0.000 . . . . . A 59 GLN HA . 19622 1 557 . 1 1 60 60 GLN HB2 H 1 1.866 0.000 . . . . . A 59 GLN HB2 . 19622 1 558 . 1 1 60 60 GLN HB3 H 1 1.866 0.000 . . . . . A 59 GLN HB3 . 19622 1 559 . 1 1 60 60 GLN HG2 H 1 2.811 0.000 . . . . . A 59 GLN HG2 . 19622 1 560 . 1 1 60 60 GLN HG3 H 1 2.811 0.000 . . . . . A 59 GLN HG3 . 19622 1 561 . 1 1 60 60 GLN HE21 H 1 7.201 0.000 . . . . . A 59 GLN HE21 . 19622 1 562 . 1 1 60 60 GLN HE22 H 1 7.045 0.000 . . . . . A 59 GLN HE22 . 19622 1 563 . 1 1 60 60 GLN C C 13 174.169 0.000 . . . . . A 59 GLN C . 19622 1 564 . 1 1 60 60 GLN CA C 13 55.943 0.000 . . . . . A 59 GLN CA . 19622 1 565 . 1 1 60 60 GLN CB C 13 29.290 0.000 . . . . . A 59 GLN CB . 19622 1 566 . 1 1 60 60 GLN CG C 13 32.970 0.000 . . . . . A 59 GLN CG . 19622 1 567 . 1 1 60 60 GLN CD C 13 179.591 0.000 . . . . . A 59 GLN CD . 19622 1 568 . 1 1 60 60 GLN N N 15 122.287 0.000 . . . . . A 59 GLN N . 19622 1 569 . 1 1 60 60 GLN NE2 N 15 112.342 0.000 . . . . . A 59 GLN NE2 . 19622 1 570 . 1 1 61 61 SER H H 1 8.871 0.000 . . . . . A 60 SER H . 19622 1 571 . 1 1 61 61 SER HA H 1 4.729 0.000 . . . . . A 60 SER HA . 19622 1 572 . 1 1 61 61 SER HB2 H 1 3.957 0.000 . . . . . A 60 SER HB2 . 19622 1 573 . 1 1 61 61 SER HB3 H 1 3.709 0.000 . . . . . A 60 SER HB3 . 19622 1 574 . 1 1 61 61 SER C C 13 173.467 0.000 . . . . . A 60 SER C . 19622 1 575 . 1 1 61 61 SER CA C 13 58.201 0.000 . . . . . A 60 SER CA . 19622 1 576 . 1 1 61 61 SER CB C 13 65.221 0.000 . . . . . A 60 SER CB . 19622 1 577 . 1 1 61 61 SER N N 15 113.844 0.000 . . . . . A 60 SER N . 19622 1 578 . 1 1 62 62 PHE H H 1 7.691 0.000 . . . . . A 61 PHE H . 19622 1 579 . 1 1 62 62 PHE HA H 1 4.397 0.000 . . . . . A 61 PHE HA . 19622 1 580 . 1 1 62 62 PHE HB2 H 1 3.140 0.000 . . . . . A 61 PHE HB2 . 19622 1 581 . 1 1 62 62 PHE HB3 H 1 3.140 0.000 . . . . . A 61 PHE HB3 . 19622 1 582 . 1 1 62 62 PHE HD1 H 1 6.895 0.000 . . . . . A 61 PHE HD1 . 19622 1 583 . 1 1 62 62 PHE HD2 H 1 6.895 0.000 . . . . . A 61 PHE HD2 . 19622 1 584 . 1 1 62 62 PHE HE1 H 1 7.139 0.000 . . . . . A 61 PHE HE1 . 19622 1 585 . 1 1 62 62 PHE HE2 H 1 7.139 0.000 . . . . . A 61 PHE HE2 . 19622 1 586 . 1 1 62 62 PHE C C 13 176.268 0.000 . . . . . A 61 PHE C . 19622 1 587 . 1 1 62 62 PHE CA C 13 60.986 0.000 . . . . . A 61 PHE CA . 19622 1 588 . 1 1 62 62 PHE CB C 13 43.362 0.000 . . . . . A 61 PHE CB . 19622 1 589 . 1 1 62 62 PHE CD1 C 13 131.183 0.000 . . . . . A 61 PHE CD1 . 19622 1 590 . 1 1 62 62 PHE CD2 C 13 131.183 0.000 . . . . . A 61 PHE CD2 . 19622 1 591 . 1 1 62 62 PHE CE1 C 13 130.795 0.000 . . . . . A 61 PHE CE1 . 19622 1 592 . 1 1 62 62 PHE CE2 C 13 130.795 0.000 . . . . . A 61 PHE CE2 . 19622 1 593 . 1 1 62 62 PHE N N 15 123.610 0.000 . . . . . A 61 PHE N . 19622 1 594 . 1 1 63 63 LEU H H 1 10.705 0.000 . . . . . A 62 LEU H . 19622 1 595 . 1 1 63 63 LEU HA H 1 4.346 0.000 . . . . . A 62 LEU HA . 19622 1 596 . 1 1 63 63 LEU HB2 H 1 1.789 0.000 . . . . . A 62 LEU HB2 . 19622 1 597 . 1 1 63 63 LEU HB3 H 1 1.789 0.000 . . . . . A 62 LEU HB3 . 19622 1 598 . 1 1 63 63 LEU HG H 1 1.810 0.000 . . . . . A 62 LEU HG . 19622 1 599 . 1 1 63 63 LEU HD11 H 1 0.694 0.000 . . . . . A 62 LEU HD11 . 19622 1 600 . 1 1 63 63 LEU HD12 H 1 0.694 0.000 . . . . . A 62 LEU HD12 . 19622 1 601 . 1 1 63 63 LEU HD13 H 1 0.694 0.000 . . . . . A 62 LEU HD13 . 19622 1 602 . 1 1 63 63 LEU HD21 H 1 1.092 0.000 . . . . . A 62 LEU HD21 . 19622 1 603 . 1 1 63 63 LEU HD22 H 1 1.092 0.000 . . . . . A 62 LEU HD22 . 19622 1 604 . 1 1 63 63 LEU HD23 H 1 1.092 0.000 . . . . . A 62 LEU HD23 . 19622 1 605 . 1 1 63 63 LEU C C 13 177.920 0.000 . . . . . A 62 LEU C . 19622 1 606 . 1 1 63 63 LEU CA C 13 54.152 0.000 . . . . . A 62 LEU CA . 19622 1 607 . 1 1 63 63 LEU CB C 13 42.638 0.000 . . . . . A 62 LEU CB . 19622 1 608 . 1 1 63 63 LEU CG C 13 26.907 0.000 . . . . . A 62 LEU CG . 19622 1 609 . 1 1 63 63 LEU CD1 C 13 27.097 0.000 . . . . . A 62 LEU CD1 . 19622 1 610 . 1 1 63 63 LEU CD2 C 13 23.314 0.000 . . . . . A 62 LEU CD2 . 19622 1 611 . 1 1 63 63 LEU N N 15 121.203 0.000 . . . . . A 62 LEU N . 19622 1 612 . 1 1 64 64 ASP H H 1 8.672 0.000 . . . . . A 63 ASP H . 19622 1 613 . 1 1 64 64 ASP HA H 1 4.680 0.000 . . . . . A 63 ASP HA . 19622 1 614 . 1 1 64 64 ASP HB2 H 1 2.589 0.000 . . . . . A 63 ASP HB2 . 19622 1 615 . 1 1 64 64 ASP HB3 H 1 3.114 0.000 . . . . . A 63 ASP HB3 . 19622 1 616 . 1 1 64 64 ASP C C 13 176.479 0.000 . . . . . A 63 ASP C . 19622 1 617 . 1 1 64 64 ASP CA C 13 51.738 0.000 . . . . . A 63 ASP CA . 19622 1 618 . 1 1 64 64 ASP CB C 13 41.706 0.000 . . . . . A 63 ASP CB . 19622 1 619 . 1 1 64 64 ASP N N 15 121.418 0.000 . . . . . A 63 ASP N . 19622 1 620 . 1 1 65 65 ASP H H 1 8.282 0.000 . . . . . A 64 ASP H . 19622 1 621 . 1 1 65 65 ASP HA H 1 4.283 0.000 . . . . . A 64 ASP HA . 19622 1 622 . 1 1 65 65 ASP HB2 H 1 2.600 0.000 . . . . . A 64 ASP HB2 . 19622 1 623 . 1 1 65 65 ASP HB3 H 1 2.576 0.000 . . . . . A 64 ASP HB3 . 19622 1 624 . 1 1 65 65 ASP C C 13 179.309 0.000 . . . . . A 64 ASP C . 19622 1 625 . 1 1 65 65 ASP CA C 13 57.917 0.000 . . . . . A 64 ASP CA . 19622 1 626 . 1 1 65 65 ASP CB C 13 40.862 0.000 . . . . . A 64 ASP CB . 19622 1 627 . 1 1 65 65 ASP N N 15 117.220 0.000 . . . . . A 64 ASP N . 19622 1 628 . 1 1 66 66 ALA H H 1 8.215 0.000 . . . . . A 65 ALA H . 19622 1 629 . 1 1 66 66 ALA HA H 1 4.137 0.000 . . . . . A 65 ALA HA . 19622 1 630 . 1 1 66 66 ALA HB1 H 1 1.442 0.000 . . . . . A 65 ALA HB1 . 19622 1 631 . 1 1 66 66 ALA HB2 H 1 1.442 0.000 . . . . . A 65 ALA HB2 . 19622 1 632 . 1 1 66 66 ALA HB3 H 1 1.442 0.000 . . . . . A 65 ALA HB3 . 19622 1 633 . 1 1 66 66 ALA C C 13 180.917 0.000 . . . . . A 65 ALA C . 19622 1 634 . 1 1 66 66 ALA CA C 13 54.858 0.000 . . . . . A 65 ALA CA . 19622 1 635 . 1 1 66 66 ALA CB C 13 17.749 0.000 . . . . . A 65 ALA CB . 19622 1 636 . 1 1 66 66 ALA N N 15 125.398 0.000 . . . . . A 65 ALA N . 19622 1 637 . 1 1 67 67 GLN H H 1 8.821 0.000 . . . . . A 66 GLN H . 19622 1 638 . 1 1 67 67 GLN HA H 1 4.315 0.000 . . . . . A 66 GLN HA . 19622 1 639 . 1 1 67 67 GLN HB2 H 1 2.406 0.000 . . . . . A 66 GLN HB2 . 19622 1 640 . 1 1 67 67 GLN HB3 H 1 1.673 0.000 . . . . . A 66 GLN HB3 . 19622 1 641 . 1 1 67 67 GLN HG2 H 1 2.710 0.000 . . . . . A 66 GLN HG2 . 19622 1 642 . 1 1 67 67 GLN HG3 H 1 2.245 0.000 . . . . . A 66 GLN HG3 . 19622 1 643 . 1 1 67 67 GLN HE21 H 1 7.395 0.000 . . . . . A 66 GLN HE21 . 19622 1 644 . 1 1 67 67 GLN HE22 H 1 6.253 0.000 . . . . . A 66 GLN HE22 . 19622 1 645 . 1 1 67 67 GLN C C 13 180.587 0.000 . . . . . A 66 GLN C . 19622 1 646 . 1 1 67 67 GLN CA C 13 59.051 0.000 . . . . . A 66 GLN CA . 19622 1 647 . 1 1 67 67 GLN CB C 13 28.727 0.000 . . . . . A 66 GLN CB . 19622 1 648 . 1 1 67 67 GLN CG C 13 34.168 0.000 . . . . . A 66 GLN CG . 19622 1 649 . 1 1 67 67 GLN CD C 13 178.781 0.000 . . . . . A 66 GLN CD . 19622 1 650 . 1 1 67 67 GLN N N 15 119.386 0.000 . . . . . A 66 GLN N . 19622 1 651 . 1 1 67 67 GLN NE2 N 15 110.246 0.000 . . . . . A 66 GLN NE2 . 19622 1 652 . 1 1 68 68 MET H H 1 8.504 0.000 . . . . . A 67 MET H . 19622 1 653 . 1 1 68 68 MET HA H 1 4.432 0.000 . . . . . A 67 MET HA . 19622 1 654 . 1 1 68 68 MET HB2 H 1 2.239 0.000 . . . . . A 67 MET HB2 . 19622 1 655 . 1 1 68 68 MET HB3 H 1 2.239 0.000 . . . . . A 67 MET HB3 . 19622 1 656 . 1 1 68 68 MET HG2 H 1 2.627 0.000 . . . . . A 67 MET HG2 . 19622 1 657 . 1 1 68 68 MET HG3 H 1 2.627 0.000 . . . . . A 67 MET HG3 . 19622 1 658 . 1 1 68 68 MET C C 13 181.267 0.000 . . . . . A 67 MET C . 19622 1 659 . 1 1 68 68 MET CA C 13 59.988 0.000 . . . . . A 67 MET CA . 19622 1 660 . 1 1 68 68 MET CB C 13 33.535 0.000 . . . . . A 67 MET CB . 19622 1 661 . 1 1 68 68 MET CG C 13 33.849 0.000 . . . . . A 67 MET CG . 19622 1 662 . 1 1 68 68 MET N N 15 118.975 0.000 . . . . . A 67 MET N . 19622 1 663 . 1 1 69 69 GLY H H 1 8.697 0.000 . . . . . A 68 GLY H . 19622 1 664 . 1 1 69 69 GLY HA2 H 1 3.968 0.000 . . . . . A 68 GLY HA2 . 19622 1 665 . 1 1 69 69 GLY HA3 H 1 3.968 0.000 . . . . . A 68 GLY HA3 . 19622 1 666 . 1 1 69 69 GLY C C 13 174.778 0.000 . . . . . A 68 GLY C . 19622 1 667 . 1 1 69 69 GLY CA C 13 46.687 0.000 . . . . . A 68 GLY CA . 19622 1 668 . 1 1 69 69 GLY N N 15 110.904 0.000 . . . . . A 68 GLY N . 19622 1 669 . 1 1 70 70 ASN H H 1 7.536 0.000 . . . . . A 69 ASN H . 19622 1 670 . 1 1 70 70 ASN HA H 1 4.892 0.000 . . . . . A 69 ASN HA . 19622 1 671 . 1 1 70 70 ASN HB2 H 1 3.091 0.000 . . . . . A 69 ASN HB2 . 19622 1 672 . 1 1 70 70 ASN HB3 H 1 2.939 0.000 . . . . . A 69 ASN HB3 . 19622 1 673 . 1 1 70 70 ASN HD21 H 1 7.637 0.000 . . . . . A 69 ASN HD21 . 19622 1 674 . 1 1 70 70 ASN HD22 H 1 6.958 0.000 . . . . . A 69 ASN HD22 . 19622 1 675 . 1 1 70 70 ASN C C 13 174.610 0.000 . . . . . A 69 ASN C . 19622 1 676 . 1 1 70 70 ASN CA C 13 53.121 0.000 . . . . . A 69 ASN CA . 19622 1 677 . 1 1 70 70 ASN CB C 13 39.395 0.000 . . . . . A 69 ASN CB . 19622 1 678 . 1 1 70 70 ASN CG C 13 176.953 0.000 . . . . . A 69 ASN CG . 19622 1 679 . 1 1 70 70 ASN N N 15 118.203 0.000 . . . . . A 69 ASN N . 19622 1 680 . 1 1 70 70 ASN ND2 N 15 112.777 0.000 . . . . . A 69 ASN ND2 . 19622 1 681 . 1 1 71 71 GLY H H 1 7.725 0.000 . . . . . A 70 GLY H . 19622 1 682 . 1 1 71 71 GLY HA2 H 1 4.201 0.000 . . . . . A 70 GLY HA2 . 19622 1 683 . 1 1 71 71 GLY HA3 H 1 3.708 0.000 . . . . . A 70 GLY HA3 . 19622 1 684 . 1 1 71 71 GLY C C 13 174.423 0.000 . . . . . A 70 GLY C . 19622 1 685 . 1 1 71 71 GLY CA C 13 45.178 0.000 . . . . . A 70 GLY CA . 19622 1 686 . 1 1 71 71 GLY N N 15 104.994 0.000 . . . . . A 70 GLY N . 19622 1 687 . 1 1 72 72 PHE H H 1 7.750 0.000 . . . . . A 71 PHE H . 19622 1 688 . 1 1 72 72 PHE HA H 1 5.041 0.000 . . . . . A 71 PHE HA . 19622 1 689 . 1 1 72 72 PHE HB2 H 1 2.590 0.000 . . . . . A 71 PHE HB2 . 19622 1 690 . 1 1 72 72 PHE HB3 H 1 2.780 0.000 . . . . . A 71 PHE HB3 . 19622 1 691 . 1 1 72 72 PHE HD1 H 1 7.372 0.000 . . . . . A 71 PHE HD1 . 19622 1 692 . 1 1 72 72 PHE HD2 H 1 7.372 0.000 . . . . . A 71 PHE HD2 . 19622 1 693 . 1 1 72 72 PHE HE1 H 1 7.063 0.000 . . . . . A 71 PHE HE1 . 19622 1 694 . 1 1 72 72 PHE HE2 H 1 7.063 0.000 . . . . . A 71 PHE HE2 . 19622 1 695 . 1 1 72 72 PHE C C 13 175.618 0.000 . . . . . A 71 PHE C . 19622 1 696 . 1 1 72 72 PHE CA C 13 60.490 0.000 . . . . . A 71 PHE CA . 19622 1 697 . 1 1 72 72 PHE CB C 13 39.860 0.000 . . . . . A 71 PHE CB . 19622 1 698 . 1 1 72 72 PHE CD1 C 13 131.316 0.000 . . . . . A 71 PHE CD1 . 19622 1 699 . 1 1 72 72 PHE CD2 C 13 131.316 0.000 . . . . . A 71 PHE CD2 . 19622 1 700 . 1 1 72 72 PHE CE1 C 13 129.606 0.000 . . . . . A 71 PHE CE1 . 19622 1 701 . 1 1 72 72 PHE CE2 C 13 129.606 0.000 . . . . . A 71 PHE CE2 . 19622 1 702 . 1 1 72 72 PHE N N 15 117.987 0.000 . . . . . A 71 PHE N . 19622 1 703 . 1 1 73 73 VAL H H 1 8.578 0.000 . . . . . A 72 VAL H . 19622 1 704 . 1 1 73 73 VAL HA H 1 5.073 0.000 . . . . . A 72 VAL HA . 19622 1 705 . 1 1 73 73 VAL HB H 1 1.723 0.000 . . . . . A 72 VAL HB . 19622 1 706 . 1 1 73 73 VAL HG11 H 1 0.489 0.000 . . . . . A 72 VAL HG11 . 19622 1 707 . 1 1 73 73 VAL HG12 H 1 0.489 0.000 . . . . . A 72 VAL HG12 . 19622 1 708 . 1 1 73 73 VAL HG13 H 1 0.489 0.000 . . . . . A 72 VAL HG13 . 19622 1 709 . 1 1 73 73 VAL HG21 H 1 0.618 0.000 . . . . . A 72 VAL HG21 . 19622 1 710 . 1 1 73 73 VAL HG22 H 1 0.618 0.000 . . . . . A 72 VAL HG22 . 19622 1 711 . 1 1 73 73 VAL HG23 H 1 0.618 0.000 . . . . . A 72 VAL HG23 . 19622 1 712 . 1 1 73 73 VAL CA C 13 57.273 0.000 . . . . . A 72 VAL CA . 19622 1 713 . 1 1 73 73 VAL CB C 13 34.219 0.000 . . . . . A 72 VAL CB . 19622 1 714 . 1 1 73 73 VAL CG1 C 13 22.726 0.000 . . . . . A 72 VAL CG1 . 19622 1 715 . 1 1 73 73 VAL CG2 C 13 19.816 0.000 . . . . . A 72 VAL CG2 . 19622 1 716 . 1 1 73 73 VAL N N 15 117.069 0.000 . . . . . A 72 VAL N . 19622 1 717 . 1 1 77 77 VAL HA H 1 2.939 0.000 . . . . . A 76 VAL HA . 19622 1 718 . 1 1 77 77 VAL HG11 H 1 1.166 0.000 . . . . . A 76 VAL HG11 . 19622 1 719 . 1 1 77 77 VAL HG12 H 1 1.166 0.000 . . . . . A 76 VAL HG12 . 19622 1 720 . 1 1 77 77 VAL HG13 H 1 1.166 0.000 . . . . . A 76 VAL HG13 . 19622 1 721 . 1 1 77 77 VAL HG21 H 1 1.166 0.000 . . . . . A 76 VAL HG21 . 19622 1 722 . 1 1 77 77 VAL HG22 H 1 1.166 0.000 . . . . . A 76 VAL HG22 . 19622 1 723 . 1 1 77 77 VAL HG23 H 1 1.166 0.000 . . . . . A 76 VAL HG23 . 19622 1 724 . 1 1 77 77 VAL C C 13 172.825 0.000 . . . . . A 76 VAL C . 19622 1 725 . 1 1 77 77 VAL CA C 13 59.273 0.000 . . . . . A 76 VAL CA . 19622 1 726 . 1 1 77 77 VAL CB C 13 31.330 0.000 . . . . . A 76 VAL CB . 19622 1 727 . 1 1 77 77 VAL CG1 C 13 21.700 0.000 . . . . . A 76 VAL CG1 . 19622 1 728 . 1 1 78 78 ALA H H 1 6.318 0.000 . . . . . A 77 ALA H . 19622 1 729 . 1 1 78 78 ALA HA H 1 5.141 0.000 . . . . . A 77 ALA HA . 19622 1 730 . 1 1 78 78 ALA HB1 H 1 1.000 0.000 . . . . . A 77 ALA HB1 . 19622 1 731 . 1 1 78 78 ALA HB2 H 1 1.000 0.000 . . . . . A 77 ALA HB2 . 19622 1 732 . 1 1 78 78 ALA HB3 H 1 1.000 0.000 . . . . . A 77 ALA HB3 . 19622 1 733 . 1 1 78 78 ALA C C 13 175.744 0.000 . . . . . A 77 ALA C . 19622 1 734 . 1 1 78 78 ALA CA C 13 49.687 0.000 . . . . . A 77 ALA CA . 19622 1 735 . 1 1 78 78 ALA CB C 13 22.339 0.000 . . . . . A 77 ALA CB . 19622 1 736 . 1 1 78 78 ALA N N 15 120.939 0.000 . . . . . A 77 ALA N . 19622 1 737 . 1 1 79 79 TYR H H 1 9.113 0.000 . . . . . A 78 TYR H . 19622 1 738 . 1 1 79 79 TYR HA H 1 5.380 0.000 . . . . . A 78 TYR HA . 19622 1 739 . 1 1 79 79 TYR HB2 H 1 3.270 0.000 . . . . . A 78 TYR HB2 . 19622 1 740 . 1 1 79 79 TYR HB3 H 1 2.737 0.000 . . . . . A 78 TYR HB3 . 19622 1 741 . 1 1 79 79 TYR HD1 H 1 7.068 0.000 . . . . . A 78 TYR HD1 . 19622 1 742 . 1 1 79 79 TYR HD2 H 1 7.020 0.000 . . . . . A 78 TYR HD2 . 19622 1 743 . 1 1 79 79 TYR HE1 H 1 6.370 0.000 . . . . . A 78 TYR HE1 . 19622 1 744 . 1 1 79 79 TYR HE2 H 1 6.370 0.000 . . . . . A 78 TYR HE2 . 19622 1 745 . 1 1 79 79 TYR CA C 13 54.396 0.000 . . . . . A 78 TYR CA . 19622 1 746 . 1 1 79 79 TYR CB C 13 39.660 0.000 . . . . . A 78 TYR CB . 19622 1 747 . 1 1 79 79 TYR CD1 C 13 133.151 0.000 . . . . . A 78 TYR CD1 . 19622 1 748 . 1 1 79 79 TYR CD2 C 13 133.151 0.000 . . . . . A 78 TYR CD2 . 19622 1 749 . 1 1 79 79 TYR CE1 C 13 118.140 0.000 . . . . . A 78 TYR CE1 . 19622 1 750 . 1 1 79 79 TYR CE2 C 13 118.140 0.000 . . . . . A 78 TYR CE2 . 19622 1 751 . 1 1 79 79 TYR N N 15 122.466 0.000 . . . . . A 78 TYR N . 19622 1 752 . 1 1 80 80 PRO HA H 1 4.744 0.000 . . . . . A 79 PRO HA . 19622 1 753 . 1 1 80 80 PRO HB2 H 1 1.920 0.000 . . . . . A 79 PRO HB2 . 19622 1 754 . 1 1 80 80 PRO HB3 H 1 1.920 0.000 . . . . . A 79 PRO HB3 . 19622 1 755 . 1 1 80 80 PRO HG2 H 1 2.444 0.000 . . . . . A 79 PRO HG2 . 19622 1 756 . 1 1 80 80 PRO HG3 H 1 2.166 0.000 . . . . . A 79 PRO HG3 . 19622 1 757 . 1 1 80 80 PRO HD2 H 1 4.137 0.000 . . . . . A 79 PRO HD2 . 19622 1 758 . 1 1 80 80 PRO HD3 H 1 4.266 0.000 . . . . . A 79 PRO HD3 . 19622 1 759 . 1 1 80 80 PRO C C 13 176.434 0.000 . . . . . A 79 PRO C . 19622 1 760 . 1 1 80 80 PRO CA C 13 63.345 0.000 . . . . . A 79 PRO CA . 19622 1 761 . 1 1 80 80 PRO CB C 13 31.141 0.000 . . . . . A 79 PRO CB . 19622 1 762 . 1 1 80 80 PRO CG C 13 28.246 0.000 . . . . . A 79 PRO CG . 19622 1 763 . 1 1 80 80 PRO CD C 13 50.477 0.000 . . . . . A 79 PRO CD . 19622 1 764 . 1 1 81 81 THR H H 1 8.470 0.000 . . . . . A 80 THR H . 19622 1 765 . 1 1 81 81 THR HA H 1 4.204 0.000 . . . . . A 80 THR HA . 19622 1 766 . 1 1 81 81 THR HB H 1 4.470 0.000 . . . . . A 80 THR HB . 19622 1 767 . 1 1 81 81 THR HG21 H 1 1.118 0.000 . . . . . A 80 THR HG21 . 19622 1 768 . 1 1 81 81 THR HG22 H 1 1.118 0.000 . . . . . A 80 THR HG22 . 19622 1 769 . 1 1 81 81 THR HG23 H 1 1.118 0.000 . . . . . A 80 THR HG23 . 19622 1 770 . 1 1 81 81 THR C C 13 171.733 0.000 . . . . . A 80 THR C . 19622 1 771 . 1 1 81 81 THR CA C 13 60.121 0.000 . . . . . A 80 THR CA . 19622 1 772 . 1 1 81 81 THR CB C 13 68.267 0.000 . . . . . A 80 THR CB . 19622 1 773 . 1 1 81 81 THR CG2 C 13 23.429 0.000 . . . . . A 80 THR CG2 . 19622 1 774 . 1 1 81 81 THR N N 15 110.712 0.000 . . . . . A 80 THR N . 19622 1 775 . 1 1 82 82 SER H H 1 7.604 0.000 . . . . . A 81 SER H . 19622 1 776 . 1 1 82 82 SER HA H 1 3.869 0.000 . . . . . A 81 SER HA . 19622 1 777 . 1 1 82 82 SER HB2 H 1 4.100 0.000 . . . . . A 81 SER HB2 . 19622 1 778 . 1 1 82 82 SER HB3 H 1 3.848 0.000 . . . . . A 81 SER HB3 . 19622 1 779 . 1 1 82 82 SER C C 13 172.754 0.000 . . . . . A 81 SER C . 19622 1 780 . 1 1 82 82 SER CA C 13 57.892 0.000 . . . . . A 81 SER CA . 19622 1 781 . 1 1 82 82 SER CB C 13 66.405 0.000 . . . . . A 81 SER CB . 19622 1 782 . 1 1 82 82 SER N N 15 114.994 0.000 . . . . . A 81 SER N . 19622 1 783 . 1 1 83 83 ASP H H 1 8.690 0.000 . . . . . A 82 ASP H . 19622 1 784 . 1 1 83 83 ASP HA H 1 5.164 0.000 . . . . . A 82 ASP HA . 19622 1 785 . 1 1 83 83 ASP HB2 H 1 2.785 0.000 . . . . . A 82 ASP HB2 . 19622 1 786 . 1 1 83 83 ASP HB3 H 1 2.644 0.000 . . . . . A 82 ASP HB3 . 19622 1 787 . 1 1 83 83 ASP C C 13 178.987 0.000 . . . . . A 82 ASP C . 19622 1 788 . 1 1 83 83 ASP CA C 13 56.313 0.000 . . . . . A 82 ASP CA . 19622 1 789 . 1 1 83 83 ASP CB C 13 39.386 0.000 . . . . . A 82 ASP CB . 19622 1 790 . 1 1 83 83 ASP N N 15 120.462 0.000 . . . . . A 82 ASP N . 19622 1 791 . 1 1 84 84 CYS H H 1 8.922 0.000 . . . . . A 83 CYS H . 19622 1 792 . 1 1 84 84 CYS HA H 1 5.139 0.000 . . . . . A 83 CYS HA . 19622 1 793 . 1 1 84 84 CYS HB2 H 1 3.015 0.000 . . . . . A 83 CYS HB2 . 19622 1 794 . 1 1 84 84 CYS HB3 H 1 2.910 0.000 . . . . . A 83 CYS HB3 . 19622 1 795 . 1 1 84 84 CYS HG H 1 2.084 0.000 . . . . . A 83 CYS HG . 19622 1 796 . 1 1 84 84 CYS C C 13 172.614 0.000 . . . . . A 83 CYS C . 19622 1 797 . 1 1 84 84 CYS CA C 13 56.370 0.000 . . . . . A 83 CYS CA . 19622 1 798 . 1 1 84 84 CYS CB C 13 31.550 0.000 . . . . . A 83 CYS CB . 19622 1 799 . 1 1 84 84 CYS N N 15 120.974 0.000 . . . . . A 83 CYS N . 19622 1 800 . 1 1 85 85 THR H H 1 8.637 0.000 . . . . . A 84 THR H . 19622 1 801 . 1 1 85 85 THR HA H 1 5.464 0.000 . . . . . A 84 THR HA . 19622 1 802 . 1 1 85 85 THR HB H 1 3.866 0.000 . . . . . A 84 THR HB . 19622 1 803 . 1 1 85 85 THR HG21 H 1 1.057 0.000 . . . . . A 84 THR HG21 . 19622 1 804 . 1 1 85 85 THR HG22 H 1 1.057 0.000 . . . . . A 84 THR HG22 . 19622 1 805 . 1 1 85 85 THR HG23 H 1 1.057 0.000 . . . . . A 84 THR HG23 . 19622 1 806 . 1 1 85 85 THR C C 13 173.477 0.000 . . . . . A 84 THR C . 19622 1 807 . 1 1 85 85 THR CA C 13 61.171 0.000 . . . . . A 84 THR CA . 19622 1 808 . 1 1 85 85 THR CB C 13 70.791 0.000 . . . . . A 84 THR CB . 19622 1 809 . 1 1 85 85 THR CG2 C 13 21.407 0.000 . . . . . A 84 THR CG2 . 19622 1 810 . 1 1 85 85 THR N N 15 116.819 0.000 . . . . . A 84 THR N . 19622 1 811 . 1 1 86 86 ILE H H 1 9.433 0.000 . . . . . A 85 ILE H . 19622 1 812 . 1 1 86 86 ILE HA H 1 4.831 0.000 . . . . . A 85 ILE HA . 19622 1 813 . 1 1 86 86 ILE HB H 1 1.733 0.000 . . . . . A 85 ILE HB . 19622 1 814 . 1 1 86 86 ILE HG12 H 1 1.098 0.000 . . . . . A 85 ILE HG12 . 19622 1 815 . 1 1 86 86 ILE HG13 H 1 1.306 0.000 . . . . . A 85 ILE HG13 . 19622 1 816 . 1 1 86 86 ILE HG21 H 1 0.484 0.000 . . . . . A 85 ILE HG21 . 19622 1 817 . 1 1 86 86 ILE HG22 H 1 0.484 0.000 . . . . . A 85 ILE HG22 . 19622 1 818 . 1 1 86 86 ILE HG23 H 1 0.484 0.000 . . . . . A 85 ILE HG23 . 19622 1 819 . 1 1 86 86 ILE HD11 H 1 0.677 0.000 . . . . . A 85 ILE HD11 . 19622 1 820 . 1 1 86 86 ILE HD12 H 1 0.677 0.000 . . . . . A 85 ILE HD12 . 19622 1 821 . 1 1 86 86 ILE HD13 H 1 0.677 0.000 . . . . . A 85 ILE HD13 . 19622 1 822 . 1 1 86 86 ILE C C 13 174.828 0.000 . . . . . A 85 ILE C . 19622 1 823 . 1 1 86 86 ILE CA C 13 57.901 0.000 . . . . . A 85 ILE CA . 19622 1 824 . 1 1 86 86 ILE CB C 13 41.567 0.000 . . . . . A 85 ILE CB . 19622 1 825 . 1 1 86 86 ILE CG1 C 13 27.765 0.000 . . . . . A 85 ILE CG1 . 19622 1 826 . 1 1 86 86 ILE CG2 C 13 16.182 0.000 . . . . . A 85 ILE CG2 . 19622 1 827 . 1 1 86 86 ILE CD1 C 13 13.018 0.000 . . . . . A 85 ILE CD1 . 19622 1 828 . 1 1 86 86 ILE N N 15 127.705 0.000 . . . . . A 85 ILE N . 19622 1 829 . 1 1 87 87 GLN H H 1 9.533 0.000 . . . . . A 86 GLN H . 19622 1 830 . 1 1 87 87 GLN HA H 1 5.081 0.000 . . . . . A 86 GLN HA . 19622 1 831 . 1 1 87 87 GLN HB2 H 1 1.939 0.000 . . . . . A 86 GLN HB2 . 19622 1 832 . 1 1 87 87 GLN HB3 H 1 2.174 0.000 . . . . . A 86 GLN HB3 . 19622 1 833 . 1 1 87 87 GLN HG2 H 1 2.333 0.000 . . . . . A 86 GLN HG2 . 19622 1 834 . 1 1 87 87 GLN HG3 H 1 2.418 0.000 . . . . . A 86 GLN HG3 . 19622 1 835 . 1 1 87 87 GLN HE21 H 1 7.276 0.000 . . . . . A 86 GLN HE21 . 19622 1 836 . 1 1 87 87 GLN HE22 H 1 6.779 0.000 . . . . . A 86 GLN HE22 . 19622 1 837 . 1 1 87 87 GLN C C 13 176.145 0.000 . . . . . A 86 GLN C . 19622 1 838 . 1 1 87 87 GLN CA C 13 54.821 0.000 . . . . . A 86 GLN CA . 19622 1 839 . 1 1 87 87 GLN CB C 13 29.689 0.000 . . . . . A 86 GLN CB . 19622 1 840 . 1 1 87 87 GLN CG C 13 33.889 0.000 . . . . . A 86 GLN CG . 19622 1 841 . 1 1 87 87 GLN CD C 13 178.712 0.000 . . . . . A 86 GLN CD . 19622 1 842 . 1 1 87 87 GLN N N 15 128.424 0.000 . . . . . A 86 GLN N . 19622 1 843 . 1 1 87 87 GLN NE2 N 15 110.210 0.000 . . . . . A 86 GLN NE2 . 19622 1 844 . 1 1 88 88 THR H H 1 8.292 0.000 . . . . . A 87 THR H . 19622 1 845 . 1 1 88 88 THR HA H 1 4.600 0.000 . . . . . A 87 THR HA . 19622 1 846 . 1 1 88 88 THR HB H 1 4.718 0.000 . . . . . A 87 THR HB . 19622 1 847 . 1 1 88 88 THR HG21 H 1 1.092 0.000 . . . . . A 87 THR HG21 . 19622 1 848 . 1 1 88 88 THR HG22 H 1 1.092 0.000 . . . . . A 87 THR HG22 . 19622 1 849 . 1 1 88 88 THR HG23 H 1 1.092 0.000 . . . . . A 87 THR HG23 . 19622 1 850 . 1 1 88 88 THR C C 13 175.822 0.000 . . . . . A 87 THR C . 19622 1 851 . 1 1 88 88 THR CA C 13 62.643 0.000 . . . . . A 87 THR CA . 19622 1 852 . 1 1 88 88 THR CB C 13 68.604 0.000 . . . . . A 87 THR CB . 19622 1 853 . 1 1 88 88 THR CG2 C 13 23.095 0.000 . . . . . A 87 THR CG2 . 19622 1 854 . 1 1 88 88 THR N N 15 117.634 0.000 . . . . . A 87 THR N . 19622 1 855 . 1 1 89 89 HIS H H 1 9.658 0.000 . . . . . A 88 HIS H . 19622 1 856 . 1 1 89 89 HIS HA H 1 4.580 0.000 . . . . . A 88 HIS HA . 19622 1 857 . 1 1 89 89 HIS HB2 H 1 3.320 0.000 . . . . . A 88 HIS HB2 . 19622 1 858 . 1 1 89 89 HIS HB3 H 1 3.320 0.000 . . . . . A 88 HIS HB3 . 19622 1 859 . 1 1 89 89 HIS HD1 H 1 8.971 0.000 . . . . . A 88 HIS HD1 . 19622 1 860 . 1 1 89 89 HIS HD2 H 1 7.203 0.000 . . . . . A 88 HIS HD2 . 19622 1 861 . 1 1 89 89 HIS HE1 H 1 7.762 0.000 . . . . . A 88 HIS HE1 . 19622 1 862 . 1 1 89 89 HIS C C 13 177.884 0.000 . . . . . A 88 HIS C . 19622 1 863 . 1 1 89 89 HIS CA C 13 58.580 0.000 . . . . . A 88 HIS CA . 19622 1 864 . 1 1 89 89 HIS CB C 13 26.340 0.000 . . . . . A 88 HIS CB . 19622 1 865 . 1 1 89 89 HIS CD2 C 13 117.932 0.000 . . . . . A 88 HIS CD2 . 19622 1 866 . 1 1 89 89 HIS CE1 C 13 137.876 0.000 . . . . . A 88 HIS CE1 . 19622 1 867 . 1 1 89 89 HIS N N 15 117.083 0.000 . . . . . A 88 HIS N . 19622 1 868 . 1 1 90 90 GLN H H 1 7.591 0.000 . . . . . A 89 GLN H . 19622 1 869 . 1 1 90 90 GLN HA H 1 4.735 0.000 . . . . . A 89 GLN HA . 19622 1 870 . 1 1 90 90 GLN HB2 H 1 2.830 0.000 . . . . . A 89 GLN HB2 . 19622 1 871 . 1 1 90 90 GLN HB3 H 1 1.155 0.000 . . . . . A 89 GLN HB3 . 19622 1 872 . 1 1 90 90 GLN HG2 H 1 2.130 0.000 . . . . . A 89 GLN HG2 . 19622 1 873 . 1 1 90 90 GLN HG3 H 1 1.910 0.000 . . . . . A 89 GLN HG3 . 19622 1 874 . 1 1 90 90 GLN HE21 H 1 6.930 0.000 . . . . . A 89 GLN HE21 . 19622 1 875 . 1 1 90 90 GLN HE22 H 1 6.883 0.000 . . . . . A 89 GLN HE22 . 19622 1 876 . 1 1 90 90 GLN C C 13 175.239 0.000 . . . . . A 89 GLN C . 19622 1 877 . 1 1 90 90 GLN CA C 13 53.949 0.000 . . . . . A 89 GLN CA . 19622 1 878 . 1 1 90 90 GLN CB C 13 29.312 0.000 . . . . . A 89 GLN CB . 19622 1 879 . 1 1 90 90 GLN CG C 13 33.704 0.000 . . . . . A 89 GLN CG . 19622 1 880 . 1 1 90 90 GLN CD C 13 178.000 0.000 . . . . . A 89 GLN CD . 19622 1 881 . 1 1 90 90 GLN N N 15 112.869 0.000 . . . . . A 89 GLN N . 19622 1 882 . 1 1 90 90 GLN NE2 N 15 114.400 0.000 . . . . . A 89 GLN NE2 . 19622 1 883 . 1 1 91 91 GLU H H 1 8.327 0.000 . . . . . A 90 GLU H . 19622 1 884 . 1 1 91 91 GLU HA H 1 3.588 0.000 . . . . . A 90 GLU HA . 19622 1 885 . 1 1 91 91 GLU HB2 H 1 2.248 0.000 . . . . . A 90 GLU HB2 . 19622 1 886 . 1 1 91 91 GLU HB3 H 1 1.975 0.000 . . . . . A 90 GLU HB3 . 19622 1 887 . 1 1 91 91 GLU HG2 H 1 1.990 0.000 . . . . . A 90 GLU HG2 . 19622 1 888 . 1 1 91 91 GLU HG3 H 1 2.241 0.000 . . . . . A 90 GLU HG3 . 19622 1 889 . 1 1 91 91 GLU C C 13 177.210 0.000 . . . . . A 90 GLU C . 19622 1 890 . 1 1 91 91 GLU CA C 13 61.485 0.000 . . . . . A 90 GLU CA . 19622 1 891 . 1 1 91 91 GLU CB C 13 29.147 0.000 . . . . . A 90 GLU CB . 19622 1 892 . 1 1 91 91 GLU CG C 13 37.430 0.000 . . . . . A 90 GLU CG . 19622 1 893 . 1 1 91 91 GLU N N 15 122.583 0.000 . . . . . A 90 GLU N . 19622 1 894 . 1 1 92 92 GLU H H 1 8.666 0.000 . . . . . A 91 GLU H . 19622 1 895 . 1 1 92 92 GLU HA H 1 4.041 0.000 . . . . . A 91 GLU HA . 19622 1 896 . 1 1 92 92 GLU HB2 H 1 2.051 0.000 . . . . . A 91 GLU HB2 . 19622 1 897 . 1 1 92 92 GLU HB3 H 1 2.051 0.000 . . . . . A 91 GLU HB3 . 19622 1 898 . 1 1 92 92 GLU HG2 H 1 2.469 0.000 . . . . . A 91 GLU HG2 . 19622 1 899 . 1 1 92 92 GLU HG3 H 1 2.204 0.000 . . . . . A 91 GLU HG3 . 19622 1 900 . 1 1 92 92 GLU C C 13 179.055 0.000 . . . . . A 91 GLU C . 19622 1 901 . 1 1 92 92 GLU CA C 13 59.647 0.000 . . . . . A 91 GLU CA . 19622 1 902 . 1 1 92 92 GLU CB C 13 28.826 0.000 . . . . . A 91 GLU CB . 19622 1 903 . 1 1 92 92 GLU CG C 13 36.232 0.000 . . . . . A 91 GLU CG . 19622 1 904 . 1 1 92 92 GLU N N 15 115.209 0.000 . . . . . A 91 GLU N . 19622 1 905 . 1 1 93 93 ALA H H 1 7.628 0.000 . . . . . A 92 ALA H . 19622 1 906 . 1 1 93 93 ALA HA H 1 4.212 0.000 . . . . . A 92 ALA HA . 19622 1 907 . 1 1 93 93 ALA HB1 H 1 1.939 0.000 . . . . . A 92 ALA HB1 . 19622 1 908 . 1 1 93 93 ALA HB2 H 1 1.939 0.000 . . . . . A 92 ALA HB2 . 19622 1 909 . 1 1 93 93 ALA HB3 H 1 1.939 0.000 . . . . . A 92 ALA HB3 . 19622 1 910 . 1 1 93 93 ALA C C 13 179.762 0.000 . . . . . A 92 ALA C . 19622 1 911 . 1 1 93 93 ALA CA C 13 54.200 0.000 . . . . . A 92 ALA CA . 19622 1 912 . 1 1 93 93 ALA CB C 13 16.917 0.000 . . . . . A 92 ALA CB . 19622 1 913 . 1 1 93 93 ALA N N 15 121.790 0.000 . . . . . A 92 ALA N . 19622 1 914 . 1 1 94 94 LEU H H 1 7.694 0.000 . . . . . A 93 LEU H . 19622 1 915 . 1 1 94 94 LEU HA H 1 3.263 0.000 . . . . . A 93 LEU HA . 19622 1 916 . 1 1 94 94 LEU HB2 H 1 1.305 0.000 . . . . . A 93 LEU HB2 . 19622 1 917 . 1 1 94 94 LEU HB3 H 1 0.970 0.000 . . . . . A 93 LEU HB3 . 19622 1 918 . 1 1 94 94 LEU HG H 1 0.823 0.000 . . . . . A 93 LEU HG . 19622 1 919 . 1 1 94 94 LEU HD11 H 1 0.153 0.000 . . . . . A 93 LEU HD11 . 19622 1 920 . 1 1 94 94 LEU HD12 H 1 0.153 0.000 . . . . . A 93 LEU HD12 . 19622 1 921 . 1 1 94 94 LEU HD13 H 1 0.153 0.000 . . . . . A 93 LEU HD13 . 19622 1 922 . 1 1 94 94 LEU HD21 H 1 0.153 0.000 . . . . . A 93 LEU HD21 . 19622 1 923 . 1 1 94 94 LEU HD22 H 1 0.153 0.000 . . . . . A 93 LEU HD22 . 19622 1 924 . 1 1 94 94 LEU HD23 H 1 0.153 0.000 . . . . . A 93 LEU HD23 . 19622 1 925 . 1 1 94 94 LEU C C 13 177.803 0.000 . . . . . A 93 LEU C . 19622 1 926 . 1 1 94 94 LEU CA C 13 57.031 0.000 . . . . . A 93 LEU CA . 19622 1 927 . 1 1 94 94 LEU CB C 13 41.310 0.000 . . . . . A 93 LEU CB . 19622 1 928 . 1 1 94 94 LEU CG C 13 26.417 0.000 . . . . . A 93 LEU CG . 19622 1 929 . 1 1 94 94 LEU CD1 C 13 24.206 0.000 . . . . . A 93 LEU CD1 . 19622 1 930 . 1 1 94 94 LEU CD2 C 13 24.206 0.000 . . . . . A 93 LEU CD2 . 19622 1 931 . 1 1 94 94 LEU N N 15 119.699 0.000 . . . . . A 93 LEU N . 19622 1 932 . 1 1 95 95 TYR H H 1 7.343 0.000 . . . . . A 94 TYR H . 19622 1 933 . 1 1 95 95 TYR HA H 1 4.374 0.000 . . . . . A 94 TYR HA . 19622 1 934 . 1 1 95 95 TYR HB2 H 1 3.240 0.000 . . . . . A 94 TYR HB2 . 19622 1 935 . 1 1 95 95 TYR HB3 H 1 2.770 0.000 . . . . . A 94 TYR HB3 . 19622 1 936 . 1 1 95 95 TYR HD1 H 1 7.160 0.000 . . . . . A 94 TYR HD1 . 19622 1 937 . 1 1 95 95 TYR HD2 H 1 7.160 0.000 . . . . . A 94 TYR HD2 . 19622 1 938 . 1 1 95 95 TYR HE1 H 1 6.810 0.000 . . . . . A 94 TYR HE1 . 19622 1 939 . 1 1 95 95 TYR HE2 H 1 6.810 0.000 . . . . . A 94 TYR HE2 . 19622 1 940 . 1 1 95 95 TYR C C 13 176.548 0.000 . . . . . A 94 TYR C . 19622 1 941 . 1 1 95 95 TYR CA C 13 58.822 0.000 . . . . . A 94 TYR CA . 19622 1 942 . 1 1 95 95 TYR CB C 13 38.500 0.000 . . . . . A 94 TYR CB . 19622 1 943 . 1 1 95 95 TYR CD1 C 13 131.580 0.000 . . . . . A 94 TYR CD1 . 19622 1 944 . 1 1 95 95 TYR CD2 C 13 131.580 0.000 . . . . . A 94 TYR CD2 . 19622 1 945 . 1 1 95 95 TYR CE1 C 13 118.150 0.000 . . . . . A 94 TYR CE1 . 19622 1 946 . 1 1 95 95 TYR CE2 C 13 118.150 0.000 . . . . . A 94 TYR CE2 . 19622 1 947 . 1 1 95 95 TYR N N 15 116.307 0.000 . . . . . A 94 TYR N . 19622 1 948 . 1 1 96 96 GLU H H 1 7.707 0.000 . . . . . A 95 GLU H . 19622 1 949 . 1 1 96 96 GLU HA H 1 4.161 0.000 . . . . . A 95 GLU HA . 19622 1 950 . 1 1 96 96 GLU HB2 H 1 2.071 0.000 . . . . . A 95 GLU HB2 . 19622 1 951 . 1 1 96 96 GLU HB3 H 1 2.071 0.000 . . . . . A 95 GLU HB3 . 19622 1 952 . 1 1 96 96 GLU HG2 H 1 2.276 0.000 . . . . . A 95 GLU HG2 . 19622 1 953 . 1 1 96 96 GLU HG3 H 1 2.378 0.000 . . . . . A 95 GLU HG3 . 19622 1 954 . 1 1 96 96 GLU C C 13 176.704 0.000 . . . . . A 95 GLU C . 19622 1 955 . 1 1 96 96 GLU CA C 13 57.795 0.000 . . . . . A 95 GLU CA . 19622 1 956 . 1 1 96 96 GLU CB C 13 30.121 0.000 . . . . . A 95 GLU CB . 19622 1 957 . 1 1 96 96 GLU CG C 13 36.171 0.000 . . . . . A 95 GLU CG . 19622 1 958 . 1 1 96 96 GLU N N 15 120.194 0.000 . . . . . A 95 GLU N . 19622 1 959 . 1 1 97 97 ASN H H 1 8.195 0.000 . . . . . A 96 ASN H . 19622 1 960 . 1 1 97 97 ASN HA H 1 4.580 0.000 . . . . . A 96 ASN HA . 19622 1 961 . 1 1 97 97 ASN HB2 H 1 2.777 0.000 . . . . . A 96 ASN HB2 . 19622 1 962 . 1 1 97 97 ASN HB3 H 1 2.777 0.000 . . . . . A 96 ASN HB3 . 19622 1 963 . 1 1 97 97 ASN HD21 H 1 7.710 0.000 . . . . . A 96 ASN HD21 . 19622 1 964 . 1 1 97 97 ASN HD22 H 1 6.927 0.000 . . . . . A 96 ASN HD22 . 19622 1 965 . 1 1 97 97 ASN C C 13 176.061 0.000 . . . . . A 96 ASN C . 19622 1 966 . 1 1 97 97 ASN CA C 13 54.092 0.000 . . . . . A 96 ASN CA . 19622 1 967 . 1 1 97 97 ASN CB C 13 38.864 0.000 . . . . . A 96 ASN CB . 19622 1 968 . 1 1 97 97 ASN CG C 13 177.124 0.000 . . . . . A 96 ASN CG . 19622 1 969 . 1 1 97 97 ASN N N 15 118.074 0.000 . . . . . A 96 ASN N . 19622 1 970 . 1 1 97 97 ASN ND2 N 15 112.778 0.000 . . . . . A 96 ASN ND2 . 19622 1 971 . 1 1 98 98 LEU H H 1 7.912 0.000 . . . . . A 97 LEU H . 19622 1 972 . 1 1 98 98 LEU HA H 1 4.142 0.000 . . . . . A 97 LEU HA . 19622 1 973 . 1 1 98 98 LEU HB2 H 1 1.605 0.000 . . . . . A 97 LEU HB2 . 19622 1 974 . 1 1 98 98 LEU HB3 H 1 1.605 0.000 . . . . . A 97 LEU HB3 . 19622 1 975 . 1 1 98 98 LEU HG H 1 1.426 0.000 . . . . . A 97 LEU HG . 19622 1 976 . 1 1 98 98 LEU HD11 H 1 0.808 0.000 . . . . . A 97 LEU HD11 . 19622 1 977 . 1 1 98 98 LEU HD12 H 1 0.808 0.000 . . . . . A 97 LEU HD12 . 19622 1 978 . 1 1 98 98 LEU HD13 H 1 0.808 0.000 . . . . . A 97 LEU HD13 . 19622 1 979 . 1 1 98 98 LEU HD21 H 1 0.742 0.000 . . . . . A 97 LEU HD21 . 19622 1 980 . 1 1 98 98 LEU HD22 H 1 0.742 0.000 . . . . . A 97 LEU HD22 . 19622 1 981 . 1 1 98 98 LEU HD23 H 1 0.742 0.000 . . . . . A 97 LEU HD23 . 19622 1 982 . 1 1 98 98 LEU C C 13 177.094 0.000 . . . . . A 97 LEU C . 19622 1 983 . 1 1 98 98 LEU CA C 13 55.429 0.000 . . . . . A 97 LEU CA . 19622 1 984 . 1 1 98 98 LEU CB C 13 42.562 0.000 . . . . . A 97 LEU CB . 19622 1 985 . 1 1 98 98 LEU CG C 13 26.741 0.000 . . . . . A 97 LEU CG . 19622 1 986 . 1 1 98 98 LEU CD1 C 13 24.939 0.000 . . . . . A 97 LEU CD1 . 19622 1 987 . 1 1 98 98 LEU CD2 C 13 23.430 0.000 . . . . . A 97 LEU CD2 . 19622 1 988 . 1 1 98 98 LEU N N 15 120.760 0.000 . . . . . A 97 LEU N . 19622 1 989 . 1 1 99 99 TYR H H 1 7.898 0.000 . . . . . A 98 TYR H . 19622 1 990 . 1 1 99 99 TYR HA H 1 4.520 0.000 . . . . . A 98 TYR HA . 19622 1 991 . 1 1 99 99 TYR HB2 H 1 2.950 0.000 . . . . . A 98 TYR HB2 . 19622 1 992 . 1 1 99 99 TYR HB3 H 1 2.950 0.000 . . . . . A 98 TYR HB3 . 19622 1 993 . 1 1 99 99 TYR HD1 H 1 6.977 0.000 . . . . . A 98 TYR HD1 . 19622 1 994 . 1 1 99 99 TYR HD2 H 1 6.977 0.000 . . . . . A 98 TYR HD2 . 19622 1 995 . 1 1 99 99 TYR HE1 H 1 6.760 0.000 . . . . . A 98 TYR HE1 . 19622 1 996 . 1 1 99 99 TYR HE2 H 1 6.760 0.000 . . . . . A 98 TYR HE2 . 19622 1 997 . 1 1 99 99 TYR C C 13 175.296 0.000 . . . . . A 98 TYR C . 19622 1 998 . 1 1 99 99 TYR CA C 13 57.640 0.000 . . . . . A 98 TYR CA . 19622 1 999 . 1 1 99 99 TYR CB C 13 38.660 0.000 . . . . . A 98 TYR CB . 19622 1 1000 . 1 1 99 99 TYR CD1 C 13 133.188 0.000 . . . . . A 98 TYR CD1 . 19622 1 1001 . 1 1 99 99 TYR CD2 C 13 133.188 0.000 . . . . . A 98 TYR CD2 . 19622 1 1002 . 1 1 99 99 TYR CE1 C 13 118.100 0.000 . . . . . A 98 TYR CE1 . 19622 1 1003 . 1 1 99 99 TYR CE2 C 13 118.100 0.000 . . . . . A 98 TYR CE2 . 19622 1 1004 . 1 1 99 99 TYR N N 15 118.892 0.000 . . . . . A 98 TYR N . 19622 1 1005 . 1 1 100 100 PHE H H 1 7.931 0.000 . . . . . A 99 PHE H . 19622 1 1006 . 1 1 100 100 PHE HA H 1 4.478 0.000 . . . . . A 99 PHE HA . 19622 1 1007 . 1 1 100 100 PHE HB2 H 1 3.166 0.000 . . . . . A 99 PHE HB2 . 19622 1 1008 . 1 1 100 100 PHE HB3 H 1 2.987 0.000 . . . . . A 99 PHE HB3 . 19622 1 1009 . 1 1 100 100 PHE HD1 H 1 7.332 0.000 . . . . . A 99 PHE HD1 . 19622 1 1010 . 1 1 100 100 PHE HD2 H 1 7.287 0.000 . . . . . A 99 PHE HD2 . 19622 1 1011 . 1 1 100 100 PHE HE1 H 1 7.270 0.000 . . . . . A 99 PHE HE1 . 19622 1 1012 . 1 1 100 100 PHE HE2 H 1 7.270 0.000 . . . . . A 99 PHE HE2 . 19622 1 1013 . 1 1 100 100 PHE C C 13 174.558 0.000 . . . . . A 99 PHE C . 19622 1 1014 . 1 1 100 100 PHE CA C 13 58.151 0.000 . . . . . A 99 PHE CA . 19622 1 1015 . 1 1 100 100 PHE CB C 13 39.561 0.000 . . . . . A 99 PHE CB . 19622 1 1016 . 1 1 100 100 PHE CD1 C 13 131.720 0.000 . . . . . A 99 PHE CD1 . 19622 1 1017 . 1 1 100 100 PHE CD2 C 13 131.720 0.000 . . . . . A 99 PHE CD2 . 19622 1 1018 . 1 1 100 100 PHE CE1 C 13 129.800 0.000 . . . . . A 99 PHE CE1 . 19622 1 1019 . 1 1 100 100 PHE CE2 C 13 129.800 0.000 . . . . . A 99 PHE CE2 . 19622 1 1020 . 1 1 100 100 PHE N N 15 121.225 0.000 . . . . . A 99 PHE N . 19622 1 1021 . 1 1 101 101 GLN H H 1 7.728 0.000 . . . . . A 100 GLN H . 19622 1 1022 . 1 1 101 101 GLN HA H 1 4.105 0.000 . . . . . A 100 GLN HA . 19622 1 1023 . 1 1 101 101 GLN HB2 H 1 1.889 0.000 . . . . . A 100 GLN HB2 . 19622 1 1024 . 1 1 101 101 GLN HB3 H 1 1.889 0.000 . . . . . A 100 GLN HB3 . 19622 1 1025 . 1 1 101 101 GLN HG2 H 1 2.233 0.000 . . . . . A 100 GLN HG2 . 19622 1 1026 . 1 1 101 101 GLN HG3 H 1 2.233 0.000 . . . . . A 100 GLN HG3 . 19622 1 1027 . 1 1 101 101 GLN HE21 H 1 7.486 0.000 . . . . . A 100 GLN HE21 . 19622 1 1028 . 1 1 101 101 GLN HE22 H 1 6.798 0.000 . . . . . A 100 GLN HE22 . 19622 1 1029 . 1 1 101 101 GLN CA C 13 57.503 0.000 . . . . . A 100 GLN CA . 19622 1 1030 . 1 1 101 101 GLN CB C 13 30.747 0.000 . . . . . A 100 GLN CB . 19622 1 1031 . 1 1 101 101 GLN CG C 13 34.182 0.000 . . . . . A 100 GLN CG . 19622 1 1032 . 1 1 101 101 GLN CD C 13 181.212 0.000 . . . . . A 100 GLN CD . 19622 1 1033 . 1 1 101 101 GLN N N 15 126.264 0.000 . . . . . A 100 GLN N . 19622 1 1034 . 1 1 101 101 GLN NE2 N 15 112.390 0.000 . . . . . A 100 GLN NE2 . 19622 1 stop_ save_