data_17147 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17147 _Entry.Title ; Chemical Shifts of the Pitx2 Homeodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-24 _Entry.Accession_date 2010-08-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '1H, 13C and 15N Chemical Shifts of the Pitx2 Homeodomain' _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 Thomas Doerdelmann . . . 17147 2 Douglas Kojetin . J. . 17147 3 Jamie Baird-Titus . M. . 17147 4 Mark Rance . . . 17147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 17147 '15N chemical shifts' 79 17147 '1H chemical shifts' 455 17147 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2010-08-24 update BMRB 'update entry citation' 17147 1 . . 2010-11-09 2010-08-24 original author 'original release' 17147 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17145 'Pitx2 homeodomain R24H mutant' 17147 PDB 2L7F 'BMRB Entry Tracking System' 17147 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17147 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21052876 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N chemical shift assignments for the human Pitx2 homeodomain and a R24H homeodomain mutant.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 105 _Citation.Page_last 107 _Citation.Year 2011 _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 Thomas Doerdelmann . . . 17147 1 2 Douglas Kojetin . J. . 17147 1 3 Jamie Baird-Titus . M. . 17147 1 4 Mark Rance . . . 17147 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17147 _Assembly.ID 1 _Assembly.Name 'Pitx2 homeodomain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Pitx2 homeodomain' 1 $Pitx2_homeodomain A . yes native no no . . . 17147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pitx2_homeodomain _Entity.Sf_category entity _Entity.Sf_framecode Pitx2_homeodomain _Entity.Entry_ID 17147 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pitx2_homeodomain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSQRRQRTHFTSQQLQELEA TFQRNRYPDMSTREEIAVWT NLTEARVRVWFKNRRAKWRK REEFIVTD ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 17145 . Pitx2_homeodomain_R24H . . . . . 100.00 68 98.53 98.53 3.26e-39 . . . . 17147 1 2 no BMRB 17452 . Pitx2_HD . . . . . 100.00 68 100.00 100.00 6.59e-40 . . . . 17147 1 3 no BMRB 18015 . PITX2 . . . . . 100.00 68 100.00 100.00 6.59e-40 . . . . 17147 1 4 no PDB 2L7F . "Solution Structure Of The Pitx2 Homeodomain" . . . . . 100.00 68 100.00 100.00 6.59e-40 . . . . 17147 1 5 no PDB 2L7M . "Solution Structure Of The Pitx2 Homeodomain R24h Mutant" . . . . . 100.00 68 98.53 98.53 3.26e-39 . . . . 17147 1 6 no PDB 2LKX . "Nmr Structure Of The Homeodomain Of Pitx2 In Complex With A Taatcc Dna Binding Site" . . . . . 100.00 68 100.00 100.00 6.59e-40 . . . . 17147 1 7 no DBJ BAA75247 . "Brx1a homeoprotein [Mus musculus]" . . . . . 88.24 324 100.00 100.00 1.46e-32 . . . . 17147 1 8 no DBJ BAA75248 . "Brx1b homeoprotein [Mus musculus]" . . . . . 88.24 317 100.00 100.00 3.01e-31 . . . . 17147 1 9 no DBJ BAB69053 . "pitx2 [Paralichthys olivaceus]" . . . . . 88.24 312 100.00 100.00 1.27e-33 . . . . 17147 1 10 no DBJ BAD12775 . "Pitx homologue [Lethenteron camtschaticum]" . . . . . 88.24 199 100.00 100.00 2.33e-34 . . . . 17147 1 11 no DBJ BAF84280 . "unnamed protein product [Homo sapiens]" . . . . . 88.24 271 98.33 98.33 3.34e-33 . . . . 17147 1 12 no EMBL CAA06696 . "XPtx2a [Xenopus laevis]" . . . . . 88.24 326 100.00 100.00 1.88e-31 . . . . 17147 1 13 no EMBL CAA06697 . "XPtx2b [Xenopus laevis]" . . . . . 88.24 316 100.00 100.00 5.03e-31 . . . . 17147 1 14 no EMBL CAA09455 . "Ptx3 protein [Rattus norvegicus]" . . . . . 88.24 302 100.00 100.00 5.88e-37 . . . . 17147 1 15 no EMBL CAB52283 . "homeodomain protein Ptx2A [Rattus norvegicus]" . . . . . 88.24 324 100.00 100.00 1.62e-32 . . . . 17147 1 16 no EMBL CAB52284 . "homeodomain protein Ptx2B [Rattus norvegicus]" . . . . . 88.24 271 100.00 100.00 1.66e-31 . . . . 17147 1 17 no GB AAB38505 . "orthodenticle-like homeobox 2 [Mus musculus]" . . . . . 88.24 271 100.00 100.00 1.66e-31 . . . . 17147 1 18 no GB AAB38864 . "solurshin, partial [Mus musculus]" . . . . . 88.24 255 100.00 100.00 1.51e-31 . . . . 17147 1 19 no GB AAB87380 . "homeobox protein Pitx3 [Mus musculus]" . . . . . 88.24 302 100.00 100.00 4.61e-37 . . . . 17147 1 20 no GB AAC16257 . "solurshin [Homo sapiens]" . . . . . 88.24 271 98.33 100.00 8.34e-31 . . . . 17147 1 21 no GB AAC24502 . "homeodomain protein [Homo sapiens]" . . . . . 88.24 302 100.00 100.00 1.51e-36 . . . . 17147 1 22 no REF NP_000316 . "pituitary homeobox 2 isoform c [Homo sapiens]" . . . . . 88.24 324 100.00 100.00 2.08e-32 . . . . 17147 1 23 no REF NP_001007500 . "pituitary homeobox 1 [Xenopus (Silurana) tropicalis]" . . . . . 88.24 305 98.33 98.33 4.02e-30 . . . . 17147 1 24 no REF NP_001017227 . "pituitary homeobox 2 [Xenopus (Silurana) tropicalis]" . . . . . 88.24 345 100.00 100.00 1.74e-30 . . . . 17147 1 25 no REF NP_001035436 . "pituitary homeobox 1 [Danio rerio]" . . . . . 88.24 285 100.00 100.00 7.23e-34 . . . . 17147 1 26 no REF NP_001035967 . "pituitary homeobox 2 isoform c [Mus musculus]" . . . . . 88.24 324 100.00 100.00 1.15e-32 . . . . 17147 1 27 no SP O35160 . "RecName: Full=Pituitary homeobox 3; AltName: Full=Homeobox protein PITX3; AltName: Full=Paired-like homeodomain transcription f" . . . . . 88.24 302 100.00 100.00 4.61e-37 . . . . 17147 1 28 no SP O75364 . "RecName: Full=Pituitary homeobox 3; AltName: Full=Homeobox protein PITX3; AltName: Full=Paired-like homeodomain transcription f" . . . . . 88.24 302 100.00 100.00 1.51e-36 . . . . 17147 1 29 no SP O93385 . "RecName: Full=Pituitary homeobox 2; AltName: Full=Homeobox protein PITX2; Short=cPITX2; AltName: Full=Paired-like homeodomain t" . . . . . 88.24 333 100.00 100.00 3.22e-32 . . . . 17147 1 30 no SP P81062 . "RecName: Full=Pituitary homeobox 3; AltName: Full=Homeobox protein PITX3; AltName: Full=Paired-like homeodomain transcription f" . . . . . 88.24 302 100.00 100.00 5.88e-37 . . . . 17147 1 31 no SP P97474 . "RecName: Full=Pituitary homeobox 2; AltName: Full=ALL1-responsive protein ARP1; AltName: Full=BRX1 homeoprotein; AltName: Full=" . . . . . 88.24 317 100.00 100.00 2.42e-31 . . . . 17147 1 32 no TPG DAA14908 . "TPA: paired-like homeodomain 3-like [Bos taurus]" . . . . . 88.24 302 100.00 100.00 6.53e-37 . . . . 17147 1 33 no TPG DAA28868 . "TPA: paired-like homeodomain 2 [Bos taurus]" . . . . . 88.24 325 100.00 100.00 1.83e-32 . . . . 17147 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 -1 GLY . 17147 1 2 0 SER . 17147 1 3 1 GLN . 17147 1 4 2 ARG . 17147 1 5 3 ARG . 17147 1 6 4 GLN . 17147 1 7 5 ARG . 17147 1 8 6 THR . 17147 1 9 7 HIS . 17147 1 10 8 PHE . 17147 1 11 9 THR . 17147 1 12 10 SER . 17147 1 13 11 GLN . 17147 1 14 12 GLN . 17147 1 15 13 LEU . 17147 1 16 14 GLN . 17147 1 17 15 GLU . 17147 1 18 16 LEU . 17147 1 19 17 GLU . 17147 1 20 18 ALA . 17147 1 21 19 THR . 17147 1 22 20 PHE . 17147 1 23 21 GLN . 17147 1 24 22 ARG . 17147 1 25 23 ASN . 17147 1 26 24 ARG . 17147 1 27 25 TYR . 17147 1 28 26 PRO . 17147 1 29 27 ASP . 17147 1 30 28 MET . 17147 1 31 29 SER . 17147 1 32 30 THR . 17147 1 33 31 ARG . 17147 1 34 32 GLU . 17147 1 35 33 GLU . 17147 1 36 34 ILE . 17147 1 37 35 ALA . 17147 1 38 36 VAL . 17147 1 39 37 TRP . 17147 1 40 38 THR . 17147 1 41 39 ASN . 17147 1 42 40 LEU . 17147 1 43 41 THR . 17147 1 44 42 GLU . 17147 1 45 43 ALA . 17147 1 46 44 ARG . 17147 1 47 45 VAL . 17147 1 48 46 ARG . 17147 1 49 47 VAL . 17147 1 50 48 TRP . 17147 1 51 49 PHE . 17147 1 52 50 LYS . 17147 1 53 51 ASN . 17147 1 54 52 ARG . 17147 1 55 53 ARG . 17147 1 56 54 ALA . 17147 1 57 55 LYS . 17147 1 58 56 TRP . 17147 1 59 57 ARG . 17147 1 60 58 LYS . 17147 1 61 59 ARG . 17147 1 62 60 GLU . 17147 1 63 61 GLU . 17147 1 64 62 PHE . 17147 1 65 63 ILE . 17147 1 66 64 VAL . 17147 1 67 65 THR . 17147 1 68 66 ASP . 17147 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 . GLY 1 1 17147 1 . SER 2 2 17147 1 . GLN 3 3 17147 1 . ARG 4 4 17147 1 . ARG 5 5 17147 1 . GLN 6 6 17147 1 . ARG 7 7 17147 1 . THR 8 8 17147 1 . HIS 9 9 17147 1 . PHE 10 10 17147 1 . THR 11 11 17147 1 . SER 12 12 17147 1 . GLN 13 13 17147 1 . GLN 14 14 17147 1 . LEU 15 15 17147 1 . GLN 16 16 17147 1 . GLU 17 17 17147 1 . LEU 18 18 17147 1 . GLU 19 19 17147 1 . ALA 20 20 17147 1 . THR 21 21 17147 1 . PHE 22 22 17147 1 . GLN 23 23 17147 1 . ARG 24 24 17147 1 . ASN 25 25 17147 1 . ARG 26 26 17147 1 . TYR 27 27 17147 1 . PRO 28 28 17147 1 . ASP 29 29 17147 1 . MET 30 30 17147 1 . SER 31 31 17147 1 . THR 32 32 17147 1 . ARG 33 33 17147 1 . GLU 34 34 17147 1 . GLU 35 35 17147 1 . ILE 36 36 17147 1 . ALA 37 37 17147 1 . VAL 38 38 17147 1 . TRP 39 39 17147 1 . THR 40 40 17147 1 . ASN 41 41 17147 1 . LEU 42 42 17147 1 . THR 43 43 17147 1 . GLU 44 44 17147 1 . ALA 45 45 17147 1 . ARG 46 46 17147 1 . VAL 47 47 17147 1 . ARG 48 48 17147 1 . VAL 49 49 17147 1 . TRP 50 50 17147 1 . PHE 51 51 17147 1 . LYS 52 52 17147 1 . ASN 53 53 17147 1 . ARG 54 54 17147 1 . ARG 55 55 17147 1 . ALA 56 56 17147 1 . LYS 57 57 17147 1 . TRP 58 58 17147 1 . ARG 59 59 17147 1 . LYS 60 60 17147 1 . ARG 61 61 17147 1 . GLU 62 62 17147 1 . GLU 63 63 17147 1 . PHE 64 64 17147 1 . ILE 65 65 17147 1 . VAL 66 66 17147 1 . THR 67 67 17147 1 . ASP 68 68 17147 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17147 _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 $Pitx2_homeodomain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17147 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 17147 _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 $Pitx2_homeodomain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . pet28 . . . . . . 17147 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17147 _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 'Pitx2 homeodomain' '[U-98% 13C; U-98% 15N]' . . 1 $Pitx2_homeodomain . . 1.5 . . mM . . . . 17147 1 2 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 17147 1 3 'sodium sulfate' 'natural abundance' . . . . . . 150 . . mM . . . . 17147 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17147 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17147 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 17147 _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' 0.15 . M 17147 1 pH 7 . pH 17147 1 pressure 1 . atm 17147 1 temperature 295 . K 17147 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17147 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17147 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17147 1 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 17147 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17147 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17147 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17147 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 17147 1 2 spectrometer_2 Varian INOVA . 600 . . . 17147 1 3 spectrometer_3 Varian INOVA . 500 . . . 17147 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 17147 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17147 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17147 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17147 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17147 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17147 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 17147 _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' . . . 17147 1 2 '2D 1H-13C HSQC' . . . 17147 1 3 '3D HNCACB' . . . 17147 1 4 '3D HNCA' . . . 17147 1 5 '3D CBCA(CO)NH' . . . 17147 1 6 '3D HNCO' . . . 17147 1 7 '3D HBHA(CO)NH' . . . 17147 1 8 '3D H(CCO)NH' . . . 17147 1 9 '3D HCCH-TOCSY' . . . 17147 1 10 '3D 1H-15N NOESY' . . . 17147 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.4870 0.02 . 1 . . . . 0 SER HA . 17147 1 2 . 1 1 2 2 SER HB2 H 1 3.8790 0.02 . 2 . . . . 0 SER HB2 . 17147 1 3 . 1 1 2 2 SER C C 13 174.7360 0.2 . 1 . . . . 0 SER C . 17147 1 4 . 1 1 2 2 SER CA C 13 58.5000 0.2 . 1 . . . . 0 SER CA . 17147 1 5 . 1 1 2 2 SER CB C 13 63.9000 0.2 . 1 . . . . 0 SER CB . 17147 1 6 . 1 1 3 3 GLN H H 1 8.6700 0.02 . 1 . . . . 1 GLN HN . 17147 1 7 . 1 1 3 3 GLN HA H 1 4.3210 0.02 . 1 . . . . 1 GLN HA . 17147 1 8 . 1 1 3 3 GLN HB2 H 1 1.9910 0.02 . 2 . . . . 1 GLN HB1 . 17147 1 9 . 1 1 3 3 GLN HB3 H 1 2.0950 0.02 . 2 . . . . 1 GLN HB2 . 17147 1 10 . 1 1 3 3 GLN HG2 H 1 2.3710 0.02 . 2 . . . . 1 GLN HG2 . 17147 1 11 . 1 1 3 3 GLN C C 13 176.1100 0.2 . 1 . . . . 1 GLN C . 17147 1 12 . 1 1 3 3 GLN CA C 13 56.2000 0.2 . 1 . . . . 1 GLN CA . 17147 1 13 . 1 1 3 3 GLN CB C 13 29.4590 0.2 . 1 . . . . 1 GLN CB . 17147 1 14 . 1 1 3 3 GLN CG C 13 33.8000 0.2 . 1 . . . . 1 GLN CG . 17147 1 15 . 1 1 3 3 GLN N N 15 122.5410 0.2 . 1 . . . . 1 GLN N . 17147 1 16 . 1 1 4 4 ARG H H 1 8.4700 0.02 . 1 . . . . 2 ARG HN . 17147 1 17 . 1 1 4 4 ARG HA H 1 4.2880 0.02 . 1 . . . . 2 ARG HA . 17147 1 18 . 1 1 4 4 ARG HB2 H 1 1.8280 0.02 . 2 . . . . 2 ARG HB1 . 17147 1 19 . 1 1 4 4 ARG HB3 H 1 1.7770 0.02 . 2 . . . . 2 ARG HB2 . 17147 1 20 . 1 1 4 4 ARG HD2 H 1 3.1820 0.02 . 2 . . . . 2 ARG HD2 . 17147 1 21 . 1 1 4 4 ARG HG2 H 1 1.5960 0.02 . 2 . . . . 2 ARG HG1 . 17147 1 22 . 1 1 4 4 ARG HG3 H 1 1.6350 0.02 . 2 . . . . 2 ARG HG2 . 17147 1 23 . 1 1 4 4 ARG C C 13 176.5030 0.2 . 1 . . . . 2 ARG C . 17147 1 24 . 1 1 4 4 ARG CA C 13 56.3320 0.2 . 1 . . . . 2 ARG CA . 17147 1 25 . 1 1 4 4 ARG CB C 13 30.7010 0.2 . 1 . . . . 2 ARG CB . 17147 1 26 . 1 1 4 4 ARG CD C 13 43.3020 0.2 . 1 . . . . 2 ARG CD . 17147 1 27 . 1 1 4 4 ARG CG C 13 27.1590 0.2 . 1 . . . . 2 ARG CG . 17147 1 28 . 1 1 4 4 ARG N N 15 122.6300 0.2 . 1 . . . . 2 ARG N . 17147 1 29 . 1 1 5 5 ARG H H 1 8.4680 0.02 . 1 . . . . 3 ARG HN . 17147 1 30 . 1 1 5 5 ARG HA H 1 4.3070 0.02 . 1 . . . . 3 ARG HA . 17147 1 31 . 1 1 5 5 ARG HB2 H 1 1.8160 0.02 . 2 . . . . 3 ARG HB2 . 17147 1 32 . 1 1 5 5 ARG HD2 H 1 3.1950 0.02 . 2 . . . . 3 ARG HD2 . 17147 1 33 . 1 1 5 5 ARG HG2 H 1 1.6270 0.02 . 2 . . . . 3 ARG HG2 . 17147 1 34 . 1 1 5 5 ARG C C 13 176.3660 0.2 . 1 . . . . 3 ARG C . 17147 1 35 . 1 1 5 5 ARG CA C 13 56.3160 0.2 . 1 . . . . 3 ARG CA . 17147 1 36 . 1 1 5 5 ARG CB C 13 30.7070 0.2 . 1 . . . . 3 ARG CB . 17147 1 37 . 1 1 5 5 ARG CD C 13 43.3230 0.2 . 1 . . . . 3 ARG CD . 17147 1 38 . 1 1 5 5 ARG CG C 13 27.1550 0.2 . 1 . . . . 3 ARG CG . 17147 1 39 . 1 1 5 5 ARG N N 15 122.4430 0.2 . 1 . . . . 3 ARG N . 17147 1 40 . 1 1 6 6 GLN H H 1 8.5140 0.02 . 1 . . . . 4 GLN HN . 17147 1 41 . 1 1 6 6 GLN HA H 1 4.3400 0.02 . 1 . . . . 4 GLN HA . 17147 1 42 . 1 1 6 6 GLN HB2 H 1 2.1030 0.02 . 2 . . . . 4 GLN HB1 . 17147 1 43 . 1 1 6 6 GLN HB3 H 1 2.0050 0.02 . 2 . . . . 4 GLN HB2 . 17147 1 44 . 1 1 6 6 GLN HE21 H 1 7.5930 0.02 . 2 . . . . 4 GLN HE21 . 17147 1 45 . 1 1 6 6 GLN HE22 H 1 6.8620 0.02 . 2 . . . . 4 GLN HE22 . 17147 1 46 . 1 1 6 6 GLN HG2 H 1 2.3910 0.02 . 2 . . . . 4 GLN HG2 . 17147 1 47 . 1 1 6 6 GLN C C 13 176.0480 0.2 . 1 . . . . 4 GLN C . 17147 1 48 . 1 1 6 6 GLN CA C 13 55.9320 0.2 . 1 . . . . 4 GLN CA . 17147 1 49 . 1 1 6 6 GLN CB C 13 29.5380 0.2 . 1 . . . . 4 GLN CB . 17147 1 50 . 1 1 6 6 GLN CG C 13 33.9130 0.2 . 1 . . . . 4 GLN CG . 17147 1 51 . 1 1 6 6 GLN N N 15 121.9500 0.2 . 1 . . . . 4 GLN N . 17147 1 52 . 1 1 6 6 GLN NE2 N 15 112.6900 0.2 . 1 . . . . 4 GLN NE2 . 17147 1 53 . 1 1 7 7 ARG H H 1 8.5200 0.02 . 1 . . . . 5 ARG HN . 17147 1 54 . 1 1 7 7 ARG HA H 1 4.3610 0.02 . 1 . . . . 5 ARG HA . 17147 1 55 . 1 1 7 7 ARG HB2 H 1 1.8280 0.02 . 2 . . . . 5 ARG HB2 . 17147 1 56 . 1 1 7 7 ARG HD2 H 1 3.1820 0.02 . 2 . . . . 5 ARG HD2 . 17147 1 57 . 1 1 7 7 ARG HG2 H 1 1.6360 0.02 . 2 . . . . 5 ARG HG2 . 17147 1 58 . 1 1 7 7 ARG C C 13 176.3690 0.2 . 1 . . . . 5 ARG C . 17147 1 59 . 1 1 7 7 ARG CA C 13 56.2100 0.2 . 1 . . . . 5 ARG CA . 17147 1 60 . 1 1 7 7 ARG CB C 13 30.7890 0.2 . 1 . . . . 5 ARG CB . 17147 1 61 . 1 1 7 7 ARG CD C 13 43.3020 0.2 . 1 . . . . 5 ARG CD . 17147 1 62 . 1 1 7 7 ARG CG C 13 27.2500 0.2 . 1 . . . . 5 ARG CG . 17147 1 63 . 1 1 7 7 ARG N N 15 122.7290 0.2 . 1 . . . . 5 ARG N . 17147 1 64 . 1 1 8 8 THR H H 1 8.2550 0.02 . 1 . . . . 6 THR HN . 17147 1 65 . 1 1 8 8 THR HA H 1 4.2050 0.02 . 1 . . . . 6 THR HA . 17147 1 66 . 1 1 8 8 THR HB H 1 4.0400 0.02 . 1 . . . . 6 THR HB . 17147 1 67 . 1 1 8 8 THR HG21 H 1 1.0550 0.02 . 1 . . . . 6 THR HG21 . 17147 1 68 . 1 1 8 8 THR HG22 H 1 1.0550 0.02 . 1 . . . . 6 THR HG21 . 17147 1 69 . 1 1 8 8 THR HG23 H 1 1.0550 0.02 . 1 . . . . 6 THR HG21 . 17147 1 70 . 1 1 8 8 THR C C 13 173.9820 0.2 . 1 . . . . 6 THR C . 17147 1 71 . 1 1 8 8 THR CA C 13 62.0000 0.2 . 1 . . . . 6 THR CA . 17147 1 72 . 1 1 8 8 THR CB C 13 69.7000 0.2 . 1 . . . . 6 THR CB . 17147 1 73 . 1 1 8 8 THR CG2 C 13 21.6000 0.2 . 1 . . . . 6 THR CG2 . 17147 1 74 . 1 1 8 8 THR N N 15 115.2880 0.2 . 1 . . . . 6 THR N . 17147 1 75 . 1 1 9 9 HIS H H 1 8.2730 0.02 . 1 . . . . 7 HIS HN . 17147 1 76 . 1 1 9 9 HIS HA H 1 4.6270 0.02 . 1 . . . . 7 HIS HA . 17147 1 77 . 1 1 9 9 HIS HB2 H 1 3.0300 0.02 . 2 . . . . 7 HIS HB1 . 17147 1 78 . 1 1 9 9 HIS HB3 H 1 2.9570 0.02 . 2 . . . . 7 HIS HB2 . 17147 1 79 . 1 1 9 9 HIS HD2 H 1 6.9680 0.02 . 1 . . . . 7 HIS HD2 . 17147 1 80 . 1 1 9 9 HIS HE1 H 1 7.8970 0.02 . 1 . . . . 7 HIS HE1 . 17147 1 81 . 1 1 9 9 HIS C C 13 174.7400 0.2 . 1 . . . . 7 HIS C . 17147 1 82 . 1 1 9 9 HIS CA C 13 56.0200 0.2 . 1 . . . . 7 HIS CA . 17147 1 83 . 1 1 9 9 HIS CB C 13 31.1000 0.2 . 1 . . . . 7 HIS CB . 17147 1 84 . 1 1 9 9 HIS CD2 C 13 119.8740 0.2 . 1 . . . . 7 HIS CD2 . 17147 1 85 . 1 1 9 9 HIS CE1 C 13 138.2230 0.2 . 1 . . . . 7 HIS CE1 . 17147 1 86 . 1 1 9 9 HIS N N 15 122.4840 0.2 . 1 . . . . 7 HIS N . 17147 1 87 . 1 1 10 10 PHE H H 1 8.2480 0.02 . 1 . . . . 8 PHE HN . 17147 1 88 . 1 1 10 10 PHE HA H 1 4.9450 0.02 . 1 . . . . 8 PHE HA . 17147 1 89 . 1 1 10 10 PHE HB2 H 1 3.1500 0.02 . 2 . . . . 8 PHE HB1 . 17147 1 90 . 1 1 10 10 PHE HB3 H 1 2.7780 0.02 . 2 . . . . 8 PHE HB2 . 17147 1 91 . 1 1 10 10 PHE HD1 H 1 7.1950 0.02 . 3 . . . . 8 PHE HD1 . 17147 1 92 . 1 1 10 10 PHE HD2 H 1 7.1950 0.02 . 3 . . . . 8 PHE HD2 . 17147 1 93 . 1 1 10 10 PHE HE1 H 1 7.2768 0.02 . 3 . . . . 8 PHE HE1 . 17147 1 94 . 1 1 10 10 PHE HZ H 1 7.4300 0.02 . 1 . . . . 8 PHE HZ . 17147 1 95 . 1 1 10 10 PHE C C 13 176.4880 0.2 . 1 . . . . 8 PHE C . 17147 1 96 . 1 1 10 10 PHE CA C 13 56.9790 0.2 . 1 . . . . 8 PHE CA . 17147 1 97 . 1 1 10 10 PHE CB C 13 41.5200 0.2 . 1 . . . . 8 PHE CB . 17147 1 98 . 1 1 10 10 PHE CD1 C 13 131.6640 0.2 . 1 . . . . 8 PHE CD1 . 17147 1 99 . 1 1 10 10 PHE CD2 C 13 131.6640 0.2 . 1 . . . . 8 PHE CD2 . 17147 1 100 . 1 1 10 10 PHE CE1 C 13 131.2900 0.2 . 1 . . . . 8 PHE CE1 . 17147 1 101 . 1 1 10 10 PHE CZ C 13 129.3090 0.2 . 1 . . . . 8 PHE CZ . 17147 1 102 . 1 1 10 10 PHE N N 15 121.0950 0.2 . 1 . . . . 8 PHE N . 17147 1 103 . 1 1 11 11 THR H H 1 9.0840 0.02 . 1 . . . . 9 THR HN . 17147 1 104 . 1 1 11 11 THR HA H 1 4.5410 0.02 . 1 . . . . 9 THR HA . 17147 1 105 . 1 1 11 11 THR HB H 1 4.8400 0.02 . 1 . . . . 9 THR HB . 17147 1 106 . 1 1 11 11 THR HG21 H 1 1.3270 0.02 . 1 . . . . 9 THR HG21 . 17147 1 107 . 1 1 11 11 THR HG22 H 1 1.3270 0.02 . 1 . . . . 9 THR HG21 . 17147 1 108 . 1 1 11 11 THR HG23 H 1 1.3270 0.02 . 1 . . . . 9 THR HG21 . 17147 1 109 . 1 1 11 11 THR C C 13 175.5440 0.2 . 1 . . . . 9 THR C . 17147 1 110 . 1 1 11 11 THR CA C 13 60.4900 0.2 . 1 . . . . 9 THR CA . 17147 1 111 . 1 1 11 11 THR CB C 13 70.9000 0.2 . 1 . . . . 9 THR CB . 17147 1 112 . 1 1 11 11 THR CG2 C 13 21.7000 0.2 . 1 . . . . 9 THR CG2 . 17147 1 113 . 1 1 11 11 THR N N 15 113.3490 0.2 . 1 . . . . 9 THR N . 17147 1 114 . 1 1 12 12 SER H H 1 9.1760 0.02 . 1 . . . . 10 SER HN . 17147 1 115 . 1 1 12 12 SER HA H 1 4.1660 0.02 . 1 . . . . 10 SER HA . 17147 1 116 . 1 1 12 12 SER HB2 H 1 3.9760 0.02 . 2 . . . . 10 SER HB2 . 17147 1 117 . 1 1 12 12 SER C C 13 177.2140 0.2 . 1 . . . . 10 SER C . 17147 1 118 . 1 1 12 12 SER CA C 13 62.1060 0.2 . 1 . . . . 10 SER CA . 17147 1 119 . 1 1 12 12 SER CB C 13 62.3050 0.2 . 1 . . . . 10 SER CB . 17147 1 120 . 1 1 12 12 SER N N 15 116.7150 0.2 . 1 . . . . 10 SER N . 17147 1 121 . 1 1 13 13 GLN H H 1 8.4140 0.02 . 1 . . . . 11 GLN HN . 17147 1 122 . 1 1 13 13 GLN HA H 1 4.0400 0.02 . 1 . . . . 11 GLN HA . 17147 1 123 . 1 1 13 13 GLN HB2 H 1 1.9540 0.02 . 2 . . . . 11 GLN HB1 . 17147 1 124 . 1 1 13 13 GLN HB3 H 1 2.1380 0.02 . 2 . . . . 11 GLN HB2 . 17147 1 125 . 1 1 13 13 GLN HE21 H 1 6.7690 0.02 . 2 . . . . 11 GLN HE21 . 17147 1 126 . 1 1 13 13 GLN HE22 H 1 7.6850 0.02 . 2 . . . . 11 GLN HE22 . 17147 1 127 . 1 1 13 13 GLN HG2 H 1 2.4300 0.02 . 2 . . . . 11 GLN HG2 . 17147 1 128 . 1 1 13 13 GLN C C 13 178.6770 0.2 . 1 . . . . 11 GLN C . 17147 1 129 . 1 1 13 13 GLN CA C 13 59.5000 0.2 . 1 . . . . 11 GLN CA . 17147 1 130 . 1 1 13 13 GLN CB C 13 28.0550 0.2 . 1 . . . . 11 GLN CB . 17147 1 131 . 1 1 13 13 GLN CG C 13 33.7030 0.2 . 1 . . . . 11 GLN CG . 17147 1 132 . 1 1 13 13 GLN N N 15 121.1120 0.2 . 1 . . . . 11 GLN N . 17147 1 133 . 1 1 13 13 GLN NE2 N 15 112.0940 0.2 . 1 . . . . 11 GLN NE2 . 17147 1 134 . 1 1 14 14 GLN H H 1 7.7720 0.02 . 1 . . . . 12 GLN HN . 17147 1 135 . 1 1 14 14 GLN HA H 1 3.8500 0.02 . 1 . . . . 12 GLN HA . 17147 1 136 . 1 1 14 14 GLN HB2 H 1 2.6300 0.02 . 2 . . . . 12 GLN HB1 . 17147 1 137 . 1 1 14 14 GLN HB3 H 1 1.5990 0.02 . 2 . . . . 12 GLN HB2 . 17147 1 138 . 1 1 14 14 GLN HE21 H 1 7.8120 0.02 . 2 . . . . 12 GLN HE21 . 17147 1 139 . 1 1 14 14 GLN HE22 H 1 6.6410 0.02 . 2 . . . . 12 GLN HE22 . 17147 1 140 . 1 1 14 14 GLN HG2 H 1 2.6350 0.02 . 2 . . . . 12 GLN HG2 . 17147 1 141 . 1 1 14 14 GLN C C 13 177.8430 0.2 . 1 . . . . 12 GLN C . 17147 1 142 . 1 1 14 14 GLN CA C 13 59.2820 0.2 . 1 . . . . 12 GLN CA . 17147 1 143 . 1 1 14 14 GLN CB C 13 28.0950 0.2 . 1 . . . . 12 GLN CB . 17147 1 144 . 1 1 14 14 GLN CG C 13 34.8620 0.2 . 1 . . . . 12 GLN CG . 17147 1 145 . 1 1 14 14 GLN N N 15 119.0690 0.2 . 1 . . . . 12 GLN N . 17147 1 146 . 1 1 14 14 GLN NE2 N 15 110.5680 0.2 . 1 . . . . 12 GLN NE2 . 17147 1 147 . 1 1 15 15 LEU H H 1 8.2280 0.02 . 1 . . . . 13 LEU HN . 17147 1 148 . 1 1 15 15 LEU HA H 1 3.6070 0.02 . 1 . . . . 13 LEU HA . 17147 1 149 . 1 1 15 15 LEU HB2 H 1 1.5440 0.02 . 2 . . . . 13 LEU HB1 . 17147 1 150 . 1 1 15 15 LEU HB3 H 1 1.8180 0.02 . 2 . . . . 13 LEU HB2 . 17147 1 151 . 1 1 15 15 LEU HD11 H 1 0.9360 0.02 . 2 . . . . 13 LEU HD11 . 17147 1 152 . 1 1 15 15 LEU HD12 H 1 0.9360 0.02 . 2 . . . . 13 LEU HD11 . 17147 1 153 . 1 1 15 15 LEU HD13 H 1 0.9360 0.02 . 2 . . . . 13 LEU HD11 . 17147 1 154 . 1 1 15 15 LEU HD21 H 1 0.7570 0.02 . 2 . . . . 13 LEU HD21 . 17147 1 155 . 1 1 15 15 LEU HD22 H 1 0.7570 0.02 . 2 . . . . 13 LEU HD21 . 17147 1 156 . 1 1 15 15 LEU HD23 H 1 0.7570 0.02 . 2 . . . . 13 LEU HD21 . 17147 1 157 . 1 1 15 15 LEU HG H 1 1.6860 0.02 . 1 . . . . 13 LEU HG . 17147 1 158 . 1 1 15 15 LEU C C 13 179.0290 0.2 . 1 . . . . 13 LEU C . 17147 1 159 . 1 1 15 15 LEU CA C 13 58.0360 0.2 . 1 . . . . 13 LEU CA . 17147 1 160 . 1 1 15 15 LEU CB C 13 41.5780 0.2 . 1 . . . . 13 LEU CB . 17147 1 161 . 1 1 15 15 LEU CD1 C 13 25.2090 0.2 . 2 . . . . 13 LEU CD1 . 17147 1 162 . 1 1 15 15 LEU CD2 C 13 23.3050 0.2 . 2 . . . . 13 LEU CD2 . 17147 1 163 . 1 1 15 15 LEU CG C 13 26.8500 0.2 . 1 . . . . 13 LEU CG . 17147 1 164 . 1 1 15 15 LEU N N 15 117.1090 0.2 . 1 . . . . 13 LEU N . 17147 1 165 . 1 1 16 16 GLN H H 1 8.0540 0.02 . 1 . . . . 14 GLN HN . 17147 1 166 . 1 1 16 16 GLN HA H 1 3.9870 0.02 . 1 . . . . 14 GLN HA . 17147 1 167 . 1 1 16 16 GLN HB2 H 1 2.1790 0.02 . 2 . . . . 14 GLN HB2 . 17147 1 168 . 1 1 16 16 GLN HE21 H 1 6.8360 0.02 . 2 . . . . 14 GLN HE21 . 17147 1 169 . 1 1 16 16 GLN HE22 H 1 7.4470 0.02 . 2 . . . . 14 GLN HE22 . 17147 1 170 . 1 1 16 16 GLN HG2 H 1 2.3910 0.02 . 2 . . . . 14 GLN HG1 . 17147 1 171 . 1 1 16 16 GLN HG3 H 1 2.4970 0.02 . 2 . . . . 14 GLN HG2 . 17147 1 172 . 1 1 16 16 GLN C C 13 179.1000 0.2 . 1 . . . . 14 GLN C . 17147 1 173 . 1 1 16 16 GLN CA C 13 59.1000 0.2 . 1 . . . . 14 GLN CA . 17147 1 174 . 1 1 16 16 GLN CB C 13 28.5000 0.2 . 1 . . . . 14 GLN CB . 17147 1 175 . 1 1 16 16 GLN CG C 13 34.0000 0.2 . 1 . . . . 14 GLN CG . 17147 1 176 . 1 1 16 16 GLN N N 15 118.0780 0.2 . 1 . . . . 14 GLN N . 17147 1 177 . 1 1 16 16 GLN NE2 N 15 111.6940 0.2 . 1 . . . . 14 GLN NE2 . 17147 1 178 . 1 1 17 17 GLU H H 1 7.7150 0.02 . 1 . . . . 15 GLU HN . 17147 1 179 . 1 1 17 17 GLU HA H 1 4.1740 0.02 . 1 . . . . 15 GLU HA . 17147 1 180 . 1 1 17 17 GLU HB2 H 1 2.0190 0.02 . 2 . . . . 15 GLU HB1 . 17147 1 181 . 1 1 17 17 GLU HB3 H 1 1.8590 0.02 . 2 . . . . 15 GLU HB2 . 17147 1 182 . 1 1 17 17 GLU HG2 H 1 2.2960 0.02 . 2 . . . . 15 GLU HG1 . 17147 1 183 . 1 1 17 17 GLU HG3 H 1 2.2580 0.02 . 2 . . . . 15 GLU HG2 . 17147 1 184 . 1 1 17 17 GLU C C 13 179.9120 0.2 . 1 . . . . 15 GLU C . 17147 1 185 . 1 1 17 17 GLU CA C 13 58.5700 0.2 . 1 . . . . 15 GLU CA . 17147 1 186 . 1 1 17 17 GLU CB C 13 29.5640 0.2 . 1 . . . . 15 GLU CB . 17147 1 187 . 1 1 17 17 GLU CG C 13 35.7530 0.2 . 1 . . . . 15 GLU CG . 17147 1 188 . 1 1 17 17 GLU N N 15 120.0670 0.2 . 1 . . . . 15 GLU N . 17147 1 189 . 1 1 18 18 LEU H H 1 8.3730 0.02 . 1 . . . . 16 LEU HN . 17147 1 190 . 1 1 18 18 LEU HA H 1 3.5570 0.02 . 1 . . . . 16 LEU HA . 17147 1 191 . 1 1 18 18 LEU HB2 H 1 -1.0650 0.02 . 2 . . . . 16 LEU HB1 . 17147 1 192 . 1 1 18 18 LEU HB3 H 1 0.5310 0.02 . 2 . . . . 16 LEU HB2 . 17147 1 193 . 1 1 18 18 LEU HD11 H 1 -0.6310 0.02 . 2 . . . . 16 LEU HD11 . 17147 1 194 . 1 1 18 18 LEU HD12 H 1 -0.6310 0.02 . 2 . . . . 16 LEU HD11 . 17147 1 195 . 1 1 18 18 LEU HD13 H 1 -0.6310 0.02 . 2 . . . . 16 LEU HD11 . 17147 1 196 . 1 1 18 18 LEU HD21 H 1 0.4260 0.02 . 2 . . . . 16 LEU HD21 . 17147 1 197 . 1 1 18 18 LEU HD22 H 1 0.4260 0.02 . 2 . . . . 16 LEU HD21 . 17147 1 198 . 1 1 18 18 LEU HD23 H 1 0.4260 0.02 . 2 . . . . 16 LEU HD21 . 17147 1 199 . 1 1 18 18 LEU HG H 1 1.1850 0.02 . 1 . . . . 16 LEU HG . 17147 1 200 . 1 1 18 18 LEU C C 13 178.1330 0.2 . 1 . . . . 16 LEU C . 17147 1 201 . 1 1 18 18 LEU CA C 13 58.4000 0.2 . 1 . . . . 16 LEU CA . 17147 1 202 . 1 1 18 18 LEU CB C 13 38.1560 0.2 . 1 . . . . 16 LEU CB . 17147 1 203 . 1 1 18 18 LEU CD1 C 13 23.6520 0.2 . 2 . . . . 16 LEU CD1 . 17147 1 204 . 1 1 18 18 LEU CD2 C 13 22.5290 0.2 . 2 . . . . 16 LEU CD2 . 17147 1 205 . 1 1 18 18 LEU CG C 13 26.1470 0.2 . 1 . . . . 16 LEU CG . 17147 1 206 . 1 1 18 18 LEU N N 15 123.2260 0.2 . 1 . . . . 16 LEU N . 17147 1 207 . 1 1 19 19 GLU H H 1 8.0960 0.02 . 1 . . . . 17 GLU HN . 17147 1 208 . 1 1 19 19 GLU HA H 1 4.3620 0.02 . 1 . . . . 17 GLU HA . 17147 1 209 . 1 1 19 19 GLU HB2 H 1 1.9480 0.02 . 2 . . . . 17 GLU HB1 . 17147 1 210 . 1 1 19 19 GLU HB3 H 1 2.1650 0.02 . 2 . . . . 17 GLU HB2 . 17147 1 211 . 1 1 19 19 GLU C C 13 178.9490 0.2 . 1 . . . . 17 GLU C . 17147 1 212 . 1 1 19 19 GLU CA C 13 58.9000 0.2 . 1 . . . . 17 GLU CA . 17147 1 213 . 1 1 19 19 GLU CB C 13 29.0000 0.2 . 1 . . . . 17 GLU CB . 17147 1 214 . 1 1 19 19 GLU CG C 13 34.4000 0.2 . 1 . . . . 17 GLU CG . 17147 1 215 . 1 1 19 19 GLU N N 15 119.3710 0.2 . 1 . . . . 17 GLU N . 17147 1 216 . 1 1 20 20 ALA H H 1 7.9180 0.02 . 1 . . . . 18 ALA HN . 17147 1 217 . 1 1 20 20 ALA HA H 1 4.1860 0.02 . 1 . . . . 18 ALA HA . 17147 1 218 . 1 1 20 20 ALA HB1 H 1 1.5330 0.02 . 1 . . . . 18 ALA HB1 . 17147 1 219 . 1 1 20 20 ALA HB2 H 1 1.5330 0.02 . 1 . . . . 18 ALA HB1 . 17147 1 220 . 1 1 20 20 ALA HB3 H 1 1.5330 0.02 . 1 . . . . 18 ALA HB1 . 17147 1 221 . 1 1 20 20 ALA C C 13 181.4260 0.2 . 1 . . . . 18 ALA C . 17147 1 222 . 1 1 20 20 ALA CA C 13 55.1670 0.2 . 1 . . . . 18 ALA CA . 17147 1 223 . 1 1 20 20 ALA CB C 13 17.8400 0.2 . 1 . . . . 18 ALA CB . 17147 1 224 . 1 1 20 20 ALA N N 15 120.6200 0.2 . 1 . . . . 18 ALA N . 17147 1 225 . 1 1 21 21 THR H H 1 7.9730 0.02 . 1 . . . . 19 THR HN . 17147 1 226 . 1 1 21 21 THR HA H 1 4.0670 0.02 . 1 . . . . 19 THR HA . 17147 1 227 . 1 1 21 21 THR HB H 1 4.5690 0.02 . 1 . . . . 19 THR HB . 17147 1 228 . 1 1 21 21 THR HG21 H 1 1.4780 0.02 . 1 . . . . 19 THR HG21 . 17147 1 229 . 1 1 21 21 THR HG22 H 1 1.4780 0.02 . 1 . . . . 19 THR HG21 . 17147 1 230 . 1 1 21 21 THR HG23 H 1 1.4780 0.02 . 1 . . . . 19 THR HG21 . 17147 1 231 . 1 1 21 21 THR C C 13 176.1210 0.2 . 1 . . . . 19 THR C . 17147 1 232 . 1 1 21 21 THR CA C 13 67.0160 0.2 . 1 . . . . 19 THR CA . 17147 1 233 . 1 1 21 21 THR CB C 13 68.3160 0.2 . 1 . . . . 19 THR CB . 17147 1 234 . 1 1 21 21 THR CG2 C 13 21.8040 0.2 . 1 . . . . 19 THR CG2 . 17147 1 235 . 1 1 21 21 THR N N 15 113.7800 0.2 . 1 . . . . 19 THR N . 17147 1 236 . 1 1 22 22 PHE H H 1 8.8110 0.02 . 1 . . . . 20 PHE HN . 17147 1 237 . 1 1 22 22 PHE HA H 1 4.3950 0.02 . 1 . . . . 20 PHE HA . 17147 1 238 . 1 1 22 22 PHE HB2 H 1 3.2110 0.02 . 2 . . . . 20 PHE HB1 . 17147 1 239 . 1 1 22 22 PHE HB3 H 1 3.3440 0.02 . 2 . . . . 20 PHE HB2 . 17147 1 240 . 1 1 22 22 PHE HD1 H 1 7.1720 0.02 . 3 . . . . 20 PHE HD1 . 17147 1 241 . 1 1 22 22 PHE HE1 H 1 7.2750 0.02 . 3 . . . . 20 PHE HE1 . 17147 1 242 . 1 1 22 22 PHE HZ H 1 7.2600 0.02 . 1 . . . . 20 PHE HZ . 17147 1 243 . 1 1 22 22 PHE C C 13 175.4700 0.2 . 1 . . . . 20 PHE C . 17147 1 244 . 1 1 22 22 PHE CA C 13 61.2260 0.2 . 1 . . . . 20 PHE CA . 17147 1 245 . 1 1 22 22 PHE CB C 13 39.0030 0.2 . 1 . . . . 20 PHE CB . 17147 1 246 . 1 1 22 22 PHE CD1 C 13 131.8070 0.2 . 1 . . . . 20 PHE CD1 . 17147 1 247 . 1 1 22 22 PHE CE1 C 13 131.4690 0.2 . 1 . . . . 20 PHE CE1 . 17147 1 248 . 1 1 22 22 PHE CZ C 13 129.8000 0.2 . 1 . . . . 20 PHE CZ . 17147 1 249 . 1 1 22 22 PHE N N 15 125.2630 0.2 . 1 . . . . 20 PHE N . 17147 1 250 . 1 1 23 23 GLN H H 1 7.7850 0.02 . 1 . . . . 21 GLN HN . 17147 1 251 . 1 1 23 23 GLN HA H 1 3.7530 0.02 . 1 . . . . 21 GLN HA . 17147 1 252 . 1 1 23 23 GLN HB2 H 1 2.0760 0.02 . 2 . . . . 21 GLN HB1 . 17147 1 253 . 1 1 23 23 GLN HB3 H 1 2.2350 0.02 . 2 . . . . 21 GLN HB2 . 17147 1 254 . 1 1 23 23 GLN HE21 H 1 7.8500 0.02 . 2 . . . . 21 GLN HE21 . 17147 1 255 . 1 1 23 23 GLN HE22 H 1 6.9910 0.02 . 2 . . . . 21 GLN HE22 . 17147 1 256 . 1 1 23 23 GLN HG2 H 1 2.6450 0.02 . 2 . . . . 21 GLN HG1 . 17147 1 257 . 1 1 23 23 GLN HG3 H 1 2.7410 0.02 . 2 . . . . 21 GLN HG2 . 17147 1 258 . 1 1 23 23 GLN C C 13 177.3250 0.2 . 1 . . . . 21 GLN C . 17147 1 259 . 1 1 23 23 GLN CA C 13 57.4910 0.2 . 1 . . . . 21 GLN CA . 17147 1 260 . 1 1 23 23 GLN CB C 13 28.1000 0.2 . 1 . . . . 21 GLN CB . 17147 1 261 . 1 1 23 23 GLN CG C 13 33.6260 0.2 . 1 . . . . 21 GLN CG . 17147 1 262 . 1 1 23 23 GLN N N 15 111.9800 0.2 . 1 . . . . 21 GLN N . 17147 1 263 . 1 1 23 23 GLN NE2 N 15 113.3390 0.2 . 1 . . . . 21 GLN NE2 . 17147 1 264 . 1 1 24 24 ARG H H 1 7.3360 0.02 . 1 . . . . 22 ARG HN . 17147 1 265 . 1 1 24 24 ARG HA H 1 4.3030 0.02 . 1 . . . . 22 ARG HA . 17147 1 266 . 1 1 24 24 ARG HB2 H 1 1.9240 0.02 . 2 . . . . 22 ARG HB2 . 17147 1 267 . 1 1 24 24 ARG HD2 H 1 3.1950 0.02 . 2 . . . . 22 ARG HD2 . 17147 1 268 . 1 1 24 24 ARG HG2 H 1 1.7680 0.02 . 2 . . . . 22 ARG HG1 . 17147 1 269 . 1 1 24 24 ARG HG3 H 1 1.6470 0.02 . 2 . . . . 22 ARG HG2 . 17147 1 270 . 1 1 24 24 ARG C C 13 176.5160 0.2 . 1 . . . . 22 ARG C . 17147 1 271 . 1 1 24 24 ARG CA C 13 56.4260 0.2 . 1 . . . . 22 ARG CA . 17147 1 272 . 1 1 24 24 ARG CB C 13 31.5790 0.2 . 1 . . . . 22 ARG CB . 17147 1 273 . 1 1 24 24 ARG CD C 13 43.3230 0.2 . 1 . . . . 22 ARG CD . 17147 1 274 . 1 1 24 24 ARG CG C 13 27.5000 0.2 . 1 . . . . 22 ARG CG . 17147 1 275 . 1 1 24 24 ARG N N 15 116.4250 0.2 . 1 . . . . 22 ARG N . 17147 1 276 . 1 1 25 25 ASN H H 1 8.1580 0.02 . 1 . . . . 23 ASN HN . 17147 1 277 . 1 1 25 25 ASN HA H 1 4.4720 0.02 . 1 . . . . 23 ASN HA . 17147 1 278 . 1 1 25 25 ASN HB2 H 1 2.6820 0.02 . 2 . . . . 23 ASN HB1 . 17147 1 279 . 1 1 25 25 ASN HB3 H 1 2.7690 0.02 . 2 . . . . 23 ASN HB2 . 17147 1 280 . 1 1 25 25 ASN HD21 H 1 7.5380 0.02 . 2 . . . . 23 ASN HD21 . 17147 1 281 . 1 1 25 25 ASN HD22 H 1 6.6200 0.02 . 2 . . . . 23 ASN HD22 . 17147 1 282 . 1 1 25 25 ASN C C 13 172.9050 0.2 . 1 . . . . 23 ASN C . 17147 1 283 . 1 1 25 25 ASN CA C 13 52.7920 0.2 . 1 . . . . 23 ASN CA . 17147 1 284 . 1 1 25 25 ASN CB C 13 38.3720 0.2 . 1 . . . . 23 ASN CB . 17147 1 285 . 1 1 25 25 ASN CG C 13 177.3750 0.2 . 1 . . . . 23 ASN CG . 17147 1 286 . 1 1 25 25 ASN N N 15 119.1900 0.2 . 1 . . . . 23 ASN N . 17147 1 287 . 1 1 25 25 ASN ND2 N 15 108.2710 0.2 . 1 . . . . 23 ASN ND2 . 17147 1 288 . 1 1 26 26 ARG H H 1 8.3170 0.02 . 1 . . . . 24 ARG HN . 17147 1 289 . 1 1 26 26 ARG HA H 1 3.7350 0.02 . 1 . . . . 24 ARG HA . 17147 1 290 . 1 1 26 26 ARG HB2 H 1 0.8850 0.02 . 2 . . . . 24 ARG HB1 . 17147 1 291 . 1 1 26 26 ARG HB3 H 1 1.1950 0.02 . 2 . . . . 24 ARG HB2 . 17147 1 292 . 1 1 26 26 ARG HD2 H 1 1.7590 0.02 . 2 . . . . 24 ARG HD2 . 17147 1 293 . 1 1 26 26 ARG HE H 1 6.3560 0.02 . 1 . . . . 24 ARG HE . 17147 1 294 . 1 1 26 26 ARG HG2 H 1 0.8810 0.02 . 2 . . . . 24 ARG HG1 . 17147 1 295 . 1 1 26 26 ARG HG3 H 1 -0.1590 0.02 . 2 . . . . 24 ARG HG2 . 17147 1 296 . 1 1 26 26 ARG C C 13 175.4060 0.2 . 1 . . . . 24 ARG C . 17147 1 297 . 1 1 26 26 ARG CA C 13 57.4720 0.2 . 1 . . . . 24 ARG CA . 17147 1 298 . 1 1 26 26 ARG CB C 13 30.9330 0.2 . 1 . . . . 24 ARG CB . 17147 1 299 . 1 1 26 26 ARG CD C 13 42.6620 0.2 . 1 . . . . 24 ARG CD . 17147 1 300 . 1 1 26 26 ARG CG C 13 27.3000 0.2 . 1 . . . . 24 ARG CG . 17147 1 301 . 1 1 26 26 ARG N N 15 121.2950 0.2 . 1 . . . . 24 ARG N . 17147 1 302 . 1 1 26 26 ARG NE N 15 84.5550 0.2 . 1 . . . . 24 ARG NE . 17147 1 303 . 1 1 27 27 TYR H H 1 7.6820 0.02 . 1 . . . . 25 TYR HN . 17147 1 304 . 1 1 27 27 TYR HA H 1 4.5920 0.02 . 1 . . . . 25 TYR HA . 17147 1 305 . 1 1 27 27 TYR HB2 H 1 3.1130 0.02 . 2 . . . . 25 TYR HB1 . 17147 1 306 . 1 1 27 27 TYR HB3 H 1 2.5870 0.02 . 2 . . . . 25 TYR HB2 . 17147 1 307 . 1 1 27 27 TYR HD1 H 1 7.0253 0.02 . 3 . . . . 25 TYR HD1 . 17147 1 308 . 1 1 27 27 TYR HE1 H 1 6.8440 0.02 . 3 . . . . 25 TYR HE1 . 17147 1 309 . 1 1 27 27 TYR CA C 13 55.2380 0.2 . 1 . . . . 25 TYR CA . 17147 1 310 . 1 1 27 27 TYR CB C 13 39.3260 0.2 . 1 . . . . 25 TYR CB . 17147 1 311 . 1 1 27 27 TYR CD1 C 13 133.4800 0.2 . 1 . . . . 25 TYR CD1 . 17147 1 312 . 1 1 27 27 TYR CE1 C 13 118.2300 0.2 . 1 . . . . 25 TYR CE1 . 17147 1 313 . 1 1 27 27 TYR N N 15 113.7350 0.2 . 1 . . . . 25 TYR N . 17147 1 314 . 1 1 28 28 PRO HA H 1 4.4400 0.02 . 1 . . . . 26 PRO HA . 17147 1 315 . 1 1 28 28 PRO HB2 H 1 1.3600 0.02 . 2 . . . . 26 PRO HB1 . 17147 1 316 . 1 1 28 28 PRO HB3 H 1 1.5420 0.02 . 2 . . . . 26 PRO HB2 . 17147 1 317 . 1 1 28 28 PRO HD2 H 1 2.9000 0.02 . 2 . . . . 26 PRO HD2 . 17147 1 318 . 1 1 28 28 PRO HG2 H 1 1.0020 0.02 . 2 . . . . 26 PRO HG1 . 17147 1 319 . 1 1 28 28 PRO HG3 H 1 -0.0550 0.02 . 2 . . . . 26 PRO HG2 . 17147 1 320 . 1 1 28 28 PRO C C 13 177.5440 0.2 . 1 . . . . 26 PRO C . 17147 1 321 . 1 1 28 28 PRO CA C 13 62.9000 0.2 . 1 . . . . 26 PRO CA . 17147 1 322 . 1 1 28 28 PRO CB C 13 30.9000 0.2 . 1 . . . . 26 PRO CB . 17147 1 323 . 1 1 28 28 PRO CD C 13 50.5000 0.2 . 1 . . . . 26 PRO CD . 17147 1 324 . 1 1 28 28 PRO CG C 13 25.8000 0.2 . 1 . . . . 26 PRO CG . 17147 1 325 . 1 1 29 29 ASP H H 1 8.4330 0.02 . 1 . . . . 27 ASP HN . 17147 1 326 . 1 1 29 29 ASP HA H 1 4.4380 0.02 . 1 . . . . 27 ASP HA . 17147 1 327 . 1 1 29 29 ASP HB2 H 1 2.8380 0.02 . 2 . . . . 27 ASP HB1 . 17147 1 328 . 1 1 29 29 ASP HB3 H 1 3.2360 0.02 . 2 . . . . 27 ASP HB2 . 17147 1 329 . 1 1 29 29 ASP C C 13 175.6460 0.2 . 1 . . . . 27 ASP C . 17147 1 330 . 1 1 29 29 ASP CA C 13 52.7920 0.2 . 1 . . . . 27 ASP CA . 17147 1 331 . 1 1 29 29 ASP CB C 13 40.7000 0.2 . 1 . . . . 27 ASP CB . 17147 1 332 . 1 1 29 29 ASP N N 15 124.7440 0.2 . 1 . . . . 27 ASP N . 17147 1 333 . 1 1 30 30 MET H H 1 8.7290 0.02 . 1 . . . . 28 MET HN . 17147 1 334 . 1 1 30 30 MET HA H 1 3.8140 0.02 . 1 . . . . 28 MET HA . 17147 1 335 . 1 1 30 30 MET HB2 H 1 2.1210 0.02 . 2 . . . . 28 MET HB2 . 17147 1 336 . 1 1 30 30 MET HE1 H 1 2.0330 0.02 . 1 . . . . 28 MET HE1 . 17147 1 337 . 1 1 30 30 MET HE2 H 1 2.0330 0.02 . 1 . . . . 28 MET HE1 . 17147 1 338 . 1 1 30 30 MET HE3 H 1 2.0330 0.02 . 1 . . . . 28 MET HE1 . 17147 1 339 . 1 1 30 30 MET HG2 H 1 2.5600 0.02 . 2 . . . . 28 MET HG1 . 17147 1 340 . 1 1 30 30 MET HG3 H 1 2.4070 0.02 . 2 . . . . 28 MET HG2 . 17147 1 341 . 1 1 30 30 MET C C 13 177.3960 0.2 . 1 . . . . 28 MET C . 17147 1 342 . 1 1 30 30 MET CA C 13 60.5350 0.2 . 1 . . . . 28 MET CA . 17147 1 343 . 1 1 30 30 MET CB C 13 32.0220 0.2 . 1 . . . . 28 MET CB . 17147 1 344 . 1 1 30 30 MET CE C 13 17.6690 0.2 . 1 . . . . 28 MET CE . 17147 1 345 . 1 1 30 30 MET CG C 13 31.9580 0.2 . 1 . . . . 28 MET CG . 17147 1 346 . 1 1 30 30 MET N N 15 119.5810 0.2 . 1 . . . . 28 MET N . 17147 1 347 . 1 1 31 31 SER H H 1 8.3840 0.02 . 1 . . . . 29 SER HN . 17147 1 348 . 1 1 31 31 SER HA H 1 4.2390 0.02 . 1 . . . . 29 SER HA . 17147 1 349 . 1 1 31 31 SER HB2 H 1 3.8970 0.02 . 2 . . . . 29 SER HB2 . 17147 1 350 . 1 1 31 31 SER C C 13 177.5550 0.2 . 1 . . . . 29 SER C . 17147 1 351 . 1 1 31 31 SER CA C 13 61.7790 0.2 . 1 . . . . 29 SER CA . 17147 1 352 . 1 1 31 31 SER CB C 13 62.4940 0.2 . 1 . . . . 29 SER CB . 17147 1 353 . 1 1 31 31 SER N N 15 113.1700 0.2 . 1 . . . . 29 SER N . 17147 1 354 . 1 1 32 32 THR H H 1 8.3310 0.02 . 1 . . . . 30 THR HN . 17147 1 355 . 1 1 32 32 THR HA H 1 4.0030 0.02 . 1 . . . . 30 THR HA . 17147 1 356 . 1 1 32 32 THR HB H 1 4.1100 0.02 . 1 . . . . 30 THR HB . 17147 1 357 . 1 1 32 32 THR HG21 H 1 1.1440 0.02 . 1 . . . . 30 THR HG21 . 17147 1 358 . 1 1 32 32 THR HG22 H 1 1.1440 0.02 . 1 . . . . 30 THR HG21 . 17147 1 359 . 1 1 32 32 THR HG23 H 1 1.1440 0.02 . 1 . . . . 30 THR HG21 . 17147 1 360 . 1 1 32 32 THR C C 13 176.5400 0.2 . 1 . . . . 30 THR C . 17147 1 361 . 1 1 32 32 THR CA C 13 67.1000 0.2 . 1 . . . . 30 THR CA . 17147 1 362 . 1 1 32 32 THR CB C 13 67.6000 0.2 . 1 . . . . 30 THR CB . 17147 1 363 . 1 1 32 32 THR CG2 C 13 21.0970 0.2 . 1 . . . . 30 THR CG2 . 17147 1 364 . 1 1 32 32 THR N N 15 120.5150 0.2 . 1 . . . . 30 THR N . 17147 1 365 . 1 1 33 33 ARG H H 1 9.0380 0.02 . 1 . . . . 31 ARG HN . 17147 1 366 . 1 1 33 33 ARG HA H 1 3.8460 0.02 . 1 . . . . 31 ARG HA . 17147 1 367 . 1 1 33 33 ARG HB2 H 1 2.4460 0.02 . 2 . . . . 31 ARG HB1 . 17147 1 368 . 1 1 33 33 ARG HB3 H 1 1.5360 0.02 . 2 . . . . 31 ARG HB2 . 17147 1 369 . 1 1 33 33 ARG HD2 H 1 2.7280 0.02 . 2 . . . . 31 ARG HD1 . 17147 1 370 . 1 1 33 33 ARG HD3 H 1 3.3800 0.02 . 2 . . . . 31 ARG HD2 . 17147 1 371 . 1 1 33 33 ARG HG2 H 1 2.1080 0.02 . 2 . . . . 31 ARG HG1 . 17147 1 372 . 1 1 33 33 ARG HG3 H 1 0.6080 0.02 . 2 . . . . 31 ARG HG2 . 17147 1 373 . 1 1 33 33 ARG C C 13 178.5800 0.2 . 1 . . . . 31 ARG C . 17147 1 374 . 1 1 33 33 ARG CA C 13 61.0100 0.2 . 1 . . . . 31 ARG CA . 17147 1 375 . 1 1 33 33 ARG CB C 13 31.9340 0.2 . 1 . . . . 31 ARG CB . 17147 1 376 . 1 1 33 33 ARG CD C 13 43.6540 0.2 . 1 . . . . 31 ARG CD . 17147 1 377 . 1 1 33 33 ARG CG C 13 29.7290 0.2 . 1 . . . . 31 ARG CG . 17147 1 378 . 1 1 33 33 ARG N N 15 121.0160 0.2 . 1 . . . . 31 ARG N . 17147 1 379 . 1 1 34 34 GLU H H 1 8.5600 0.02 . 1 . . . . 32 GLU HN . 17147 1 380 . 1 1 34 34 GLU HA H 1 3.9460 0.02 . 1 . . . . 32 GLU HA . 17147 1 381 . 1 1 34 34 GLU HB2 H 1 2.3060 0.02 . 2 . . . . 32 GLU HB1 . 17147 1 382 . 1 1 34 34 GLU HB3 H 1 2.0310 0.02 . 2 . . . . 32 GLU HB2 . 17147 1 383 . 1 1 34 34 GLU HG2 H 1 2.1970 0.02 . 2 . . . . 32 GLU HG1 . 17147 1 384 . 1 1 34 34 GLU HG3 H 1 2.5590 0.02 . 2 . . . . 32 GLU HG2 . 17147 1 385 . 1 1 34 34 GLU C C 13 178.7760 0.2 . 1 . . . . 32 GLU C . 17147 1 386 . 1 1 34 34 GLU CA C 13 60.0520 0.2 . 1 . . . . 32 GLU CA . 17147 1 387 . 1 1 34 34 GLU CB C 13 29.3840 0.2 . 1 . . . . 32 GLU CB . 17147 1 388 . 1 1 34 34 GLU CG C 13 36.8060 0.2 . 1 . . . . 32 GLU CG . 17147 1 389 . 1 1 34 34 GLU N N 15 118.8270 0.2 . 1 . . . . 32 GLU N . 17147 1 390 . 1 1 35 35 GLU H H 1 7.5350 0.02 . 1 . . . . 33 GLU HN . 17147 1 391 . 1 1 35 35 GLU HA H 1 3.9900 0.02 . 1 . . . . 33 GLU HA . 17147 1 392 . 1 1 35 35 GLU HB2 H 1 2.2010 0.02 . 2 . . . . 33 GLU HB1 . 17147 1 393 . 1 1 35 35 GLU HB3 H 1 2.0270 0.02 . 2 . . . . 33 GLU HB2 . 17147 1 394 . 1 1 35 35 GLU HG2 H 1 2.0790 0.02 . 2 . . . . 33 GLU HG1 . 17147 1 395 . 1 1 35 35 GLU HG3 H 1 2.3690 0.02 . 2 . . . . 33 GLU HG2 . 17147 1 396 . 1 1 35 35 GLU C C 13 178.8290 0.2 . 1 . . . . 33 GLU C . 17147 1 397 . 1 1 35 35 GLU CA C 13 59.5740 0.2 . 1 . . . . 33 GLU CA . 17147 1 398 . 1 1 35 35 GLU CB C 13 29.3630 0.2 . 1 . . . . 33 GLU CB . 17147 1 399 . 1 1 35 35 GLU CG C 13 36.4310 0.2 . 1 . . . . 33 GLU CG . 17147 1 400 . 1 1 35 35 GLU N N 15 120.8280 0.2 . 1 . . . . 33 GLU N . 17147 1 401 . 1 1 36 36 ILE H H 1 8.4070 0.02 . 1 . . . . 34 ILE HN . 17147 1 402 . 1 1 36 36 ILE HA H 1 3.5790 0.02 . 1 . . . . 34 ILE HA . 17147 1 403 . 1 1 36 36 ILE HB H 1 1.8670 0.02 . 1 . . . . 34 ILE HB . 17147 1 404 . 1 1 36 36 ILE HD11 H 1 0.9150 0.02 . 1 . . . . 34 ILE HD11 . 17147 1 405 . 1 1 36 36 ILE HD12 H 1 0.9150 0.02 . 1 . . . . 34 ILE HD11 . 17147 1 406 . 1 1 36 36 ILE HD13 H 1 0.9150 0.02 . 1 . . . . 34 ILE HD11 . 17147 1 407 . 1 1 36 36 ILE HG12 H 1 1.8960 0.02 . 2 . . . . 34 ILE HG11 . 17147 1 408 . 1 1 36 36 ILE HG13 H 1 1.1320 0.02 . 2 . . . . 34 ILE HG12 . 17147 1 409 . 1 1 36 36 ILE HG21 H 1 0.7970 0.02 . 1 . . . . 34 ILE HG21 . 17147 1 410 . 1 1 36 36 ILE HG22 H 1 0.7970 0.02 . 1 . . . . 34 ILE HG21 . 17147 1 411 . 1 1 36 36 ILE HG23 H 1 0.7970 0.02 . 1 . . . . 34 ILE HG21 . 17147 1 412 . 1 1 36 36 ILE C C 13 179.4870 0.2 . 1 . . . . 34 ILE C . 17147 1 413 . 1 1 36 36 ILE CA C 13 64.7520 0.2 . 1 . . . . 34 ILE CA . 17147 1 414 . 1 1 36 36 ILE CB C 13 38.6760 0.2 . 1 . . . . 34 ILE CB . 17147 1 415 . 1 1 36 36 ILE CD1 C 13 18.4850 0.2 . 1 . . . . 34 ILE CD1 . 17147 1 416 . 1 1 36 36 ILE CG1 C 13 28.5250 0.2 . 1 . . . . 34 ILE CG1 . 17147 1 417 . 1 1 36 36 ILE CG2 C 13 15.0200 0.2 . 1 . . . . 34 ILE CG2 . 17147 1 418 . 1 1 36 36 ILE N N 15 119.9350 0.2 . 1 . . . . 34 ILE N . 17147 1 419 . 1 1 37 37 ALA H H 1 8.5600 0.02 . 1 . . . . 35 ALA HN . 17147 1 420 . 1 1 37 37 ALA HA H 1 3.6430 0.02 . 1 . . . . 35 ALA HA . 17147 1 421 . 1 1 37 37 ALA HB1 H 1 1.3420 0.02 . 1 . . . . 35 ALA HB1 . 17147 1 422 . 1 1 37 37 ALA HB2 H 1 1.3420 0.02 . 1 . . . . 35 ALA HB1 . 17147 1 423 . 1 1 37 37 ALA HB3 H 1 1.3420 0.02 . 1 . . . . 35 ALA HB1 . 17147 1 424 . 1 1 37 37 ALA C C 13 178.7260 0.2 . 1 . . . . 35 ALA C . 17147 1 425 . 1 1 37 37 ALA CA C 13 55.7530 0.2 . 1 . . . . 35 ALA CA . 17147 1 426 . 1 1 37 37 ALA CB C 13 17.0610 0.2 . 1 . . . . 35 ALA CB . 17147 1 427 . 1 1 37 37 ALA N N 15 124.1710 0.2 . 1 . . . . 35 ALA N . 17147 1 428 . 1 1 38 38 VAL H H 1 7.6890 0.02 . 1 . . . . 36 VAL HN . 17147 1 429 . 1 1 38 38 VAL HA H 1 3.7880 0.02 . 1 . . . . 36 VAL HA . 17147 1 430 . 1 1 38 38 VAL HB H 1 2.2390 0.02 . 1 . . . . 36 VAL HB . 17147 1 431 . 1 1 38 38 VAL HG11 H 1 0.9560 0.02 . 2 . . . . 36 VAL HG11 . 17147 1 432 . 1 1 38 38 VAL HG12 H 1 0.9560 0.02 . 2 . . . . 36 VAL HG11 . 17147 1 433 . 1 1 38 38 VAL HG13 H 1 0.9560 0.02 . 2 . . . . 36 VAL HG11 . 17147 1 434 . 1 1 38 38 VAL HG21 H 1 1.1450 0.02 . 2 . . . . 36 VAL HG21 . 17147 1 435 . 1 1 38 38 VAL HG22 H 1 1.1450 0.02 . 2 . . . . 36 VAL HG21 . 17147 1 436 . 1 1 38 38 VAL HG23 H 1 1.1450 0.02 . 2 . . . . 36 VAL HG21 . 17147 1 437 . 1 1 38 38 VAL C C 13 179.8700 0.2 . 1 . . . . 36 VAL C . 17147 1 438 . 1 1 38 38 VAL CA C 13 66.4730 0.2 . 1 . . . . 36 VAL CA . 17147 1 439 . 1 1 38 38 VAL CB C 13 31.6900 0.2 . 1 . . . . 36 VAL CB . 17147 1 440 . 1 1 38 38 VAL CG1 C 13 21.1950 0.2 . 2 . . . . 36 VAL CG1 . 17147 1 441 . 1 1 38 38 VAL CG2 C 13 22.7850 0.2 . 2 . . . . 36 VAL CG2 . 17147 1 442 . 1 1 38 38 VAL N N 15 117.9570 0.2 . 1 . . . . 36 VAL N . 17147 1 443 . 1 1 39 39 TRP H H 1 7.9900 0.02 . 1 . . . . 37 TRP HN . 17147 1 444 . 1 1 39 39 TRP HA H 1 4.6220 0.02 . 1 . . . . 37 TRP HA . 17147 1 445 . 1 1 39 39 TRP HB2 H 1 3.4600 0.02 . 2 . . . . 37 TRP HB1 . 17147 1 446 . 1 1 39 39 TRP HB3 H 1 3.4000 0.02 . 2 . . . . 37 TRP HB2 . 17147 1 447 . 1 1 39 39 TRP HD1 H 1 7.1400 0.02 . 1 . . . . 37 TRP HD1 . 17147 1 448 . 1 1 39 39 TRP HE1 H 1 10.2100 0.02 . 1 . . . . 37 TRP HE1 . 17147 1 449 . 1 1 39 39 TRP HE3 H 1 7.5500 0.02 . 1 . . . . 37 TRP HE3 . 17147 1 450 . 1 1 39 39 TRP HH2 H 1 7.1550 0.02 . 1 . . . . 37 TRP HH2 . 17147 1 451 . 1 1 39 39 TRP HZ2 H 1 7.4350 0.02 . 1 . . . . 37 TRP HZ2 . 17147 1 452 . 1 1 39 39 TRP HZ3 H 1 7.0810 0.02 . 1 . . . . 37 TRP HZ3 . 17147 1 453 . 1 1 39 39 TRP C C 13 177.9450 0.2 . 1 . . . . 37 TRP C . 17147 1 454 . 1 1 39 39 TRP CA C 13 59.1840 0.2 . 1 . . . . 37 TRP CA . 17147 1 455 . 1 1 39 39 TRP CB C 13 29.6640 0.2 . 1 . . . . 37 TRP CB . 17147 1 456 . 1 1 39 39 TRP CD1 C 13 126.6000 0.2 . 1 . . . . 37 TRP CD1 . 17147 1 457 . 1 1 39 39 TRP CE3 C 13 121.0000 0.2 . 1 . . . . 37 TRP CE3 . 17147 1 458 . 1 1 39 39 TRP CH2 C 13 124.5400 0.2 . 1 . . . . 37 TRP CH2 . 17147 1 459 . 1 1 39 39 TRP CZ2 C 13 114.6100 0.2 . 1 . . . . 37 TRP CZ2 . 17147 1 460 . 1 1 39 39 TRP CZ3 C 13 121.8900 0.2 . 1 . . . . 37 TRP CZ3 . 17147 1 461 . 1 1 39 39 TRP N N 15 119.7830 0.2 . 1 . . . . 37 TRP N . 17147 1 462 . 1 1 39 39 TRP NE1 N 15 129.0570 0.2 . 1 . . . . 37 TRP NE1 . 17147 1 463 . 1 1 40 40 THR H H 1 7.9540 0.02 . 1 . . . . 38 THR HN . 17147 1 464 . 1 1 40 40 THR HA H 1 3.6180 0.02 . 1 . . . . 38 THR HA . 17147 1 465 . 1 1 40 40 THR HB H 1 4.1960 0.02 . 1 . . . . 38 THR HB . 17147 1 466 . 1 1 40 40 THR HG21 H 1 1.1300 0.02 . 1 . . . . 38 THR HG21 . 17147 1 467 . 1 1 40 40 THR HG22 H 1 1.1300 0.02 . 1 . . . . 38 THR HG21 . 17147 1 468 . 1 1 40 40 THR HG23 H 1 1.1300 0.02 . 1 . . . . 38 THR HG21 . 17147 1 469 . 1 1 40 40 THR C C 13 175.0100 0.2 . 1 . . . . 38 THR C . 17147 1 470 . 1 1 40 40 THR CA C 13 61.6160 0.2 . 1 . . . . 38 THR CA . 17147 1 471 . 1 1 40 40 THR CB C 13 71.3350 0.2 . 1 . . . . 38 THR CB . 17147 1 472 . 1 1 40 40 THR CG2 C 13 22.4040 0.2 . 1 . . . . 38 THR CG2 . 17147 1 473 . 1 1 40 40 THR N N 15 105.0960 0.2 . 1 . . . . 38 THR N . 17147 1 474 . 1 1 41 41 ASN H H 1 7.8830 0.02 . 1 . . . . 39 ASN HN . 17147 1 475 . 1 1 41 41 ASN HA H 1 4.4940 0.02 . 1 . . . . 39 ASN HA . 17147 1 476 . 1 1 41 41 ASN HB2 H 1 3.2070 0.02 . 2 . . . . 39 ASN HB1 . 17147 1 477 . 1 1 41 41 ASN HB3 H 1 2.8400 0.02 . 2 . . . . 39 ASN HB2 . 17147 1 478 . 1 1 41 41 ASN HD21 H 1 6.8510 0.02 . 2 . . . . 39 ASN HD21 . 17147 1 479 . 1 1 41 41 ASN HD22 H 1 7.4940 0.02 . 2 . . . . 39 ASN HD22 . 17147 1 480 . 1 1 41 41 ASN C C 13 174.0060 0.2 . 1 . . . . 39 ASN C . 17147 1 481 . 1 1 41 41 ASN CA C 13 54.8300 0.2 . 1 . . . . 39 ASN CA . 17147 1 482 . 1 1 41 41 ASN CB C 13 37.3160 0.2 . 1 . . . . 39 ASN CB . 17147 1 483 . 1 1 41 41 ASN N N 15 118.8690 0.2 . 1 . . . . 39 ASN N . 17147 1 484 . 1 1 41 41 ASN ND2 N 15 112.1500 0.2 . 1 . . . . 39 ASN ND2 . 17147 1 485 . 1 1 42 42 LEU H H 1 8.4930 0.02 . 1 . . . . 40 LEU HN . 17147 1 486 . 1 1 42 42 LEU HA H 1 4.9070 0.02 . 1 . . . . 40 LEU HA . 17147 1 487 . 1 1 42 42 LEU HB2 H 1 1.3610 0.02 . 2 . . . . 40 LEU HB1 . 17147 1 488 . 1 1 42 42 LEU HB3 H 1 1.6220 0.02 . 2 . . . . 40 LEU HB2 . 17147 1 489 . 1 1 42 42 LEU HD11 H 1 0.9340 0.02 . 2 . . . . 40 LEU HD11 . 17147 1 490 . 1 1 42 42 LEU HD12 H 1 0.9340 0.02 . 2 . . . . 40 LEU HD11 . 17147 1 491 . 1 1 42 42 LEU HD13 H 1 0.9340 0.02 . 2 . . . . 40 LEU HD11 . 17147 1 492 . 1 1 42 42 LEU HD21 H 1 0.7780 0.02 . 2 . . . . 40 LEU HD21 . 17147 1 493 . 1 1 42 42 LEU HD22 H 1 0.7780 0.02 . 2 . . . . 40 LEU HD21 . 17147 1 494 . 1 1 42 42 LEU HD23 H 1 0.7780 0.02 . 2 . . . . 40 LEU HD21 . 17147 1 495 . 1 1 42 42 LEU HG H 1 1.3400 0.02 . 1 . . . . 40 LEU HG . 17147 1 496 . 1 1 42 42 LEU C C 13 175.7410 0.2 . 1 . . . . 40 LEU C . 17147 1 497 . 1 1 42 42 LEU CA C 13 53.0310 0.2 . 1 . . . . 40 LEU CA . 17147 1 498 . 1 1 42 42 LEU CB C 13 46.8000 0.2 . 1 . . . . 40 LEU CB . 17147 1 499 . 1 1 42 42 LEU CD1 C 13 24.0850 0.2 . 2 . . . . 40 LEU CD1 . 17147 1 500 . 1 1 42 42 LEU CD2 C 13 26.1140 0.2 . 2 . . . . 40 LEU CD2 . 17147 1 501 . 1 1 42 42 LEU N N 15 119.7810 0.2 . 1 . . . . 40 LEU N . 17147 1 502 . 1 1 43 43 THR H H 1 6.9920 0.02 . 1 . . . . 41 THR HN . 17147 1 503 . 1 1 43 43 THR HA H 1 4.6260 0.02 . 1 . . . . 41 THR HA . 17147 1 504 . 1 1 43 43 THR HB H 1 4.8340 0.02 . 1 . . . . 41 THR HB . 17147 1 505 . 1 1 43 43 THR HG21 H 1 1.2889 0.02 . 1 . . . . 41 THR HG21 . 17147 1 506 . 1 1 43 43 THR HG22 H 1 1.2889 0.02 . 1 . . . . 41 THR HG21 . 17147 1 507 . 1 1 43 43 THR HG23 H 1 1.2889 0.02 . 1 . . . . 41 THR HG21 . 17147 1 508 . 1 1 43 43 THR C C 13 175.8240 0.2 . 1 . . . . 41 THR C . 17147 1 509 . 1 1 43 43 THR CA C 13 59.2430 0.2 . 1 . . . . 41 THR CA . 17147 1 510 . 1 1 43 43 THR CB C 13 71.2000 0.2 . 1 . . . . 41 THR CB . 17147 1 511 . 1 1 43 43 THR CG2 C 13 22.2564 0.2 . 1 . . . . 41 THR CG2 . 17147 1 512 . 1 1 43 43 THR N N 15 106.5920 0.2 . 1 . . . . 41 THR N . 17147 1 513 . 1 1 44 44 GLU H H 1 9.4570 0.02 . 1 . . . . 42 GLU HN . 17147 1 514 . 1 1 44 44 GLU HA H 1 3.5970 0.02 . 1 . . . . 42 GLU HA . 17147 1 515 . 1 1 44 44 GLU HB2 H 1 2.3500 0.02 . 2 . . . . 42 GLU HB1 . 17147 1 516 . 1 1 44 44 GLU HB3 H 1 1.8980 0.02 . 2 . . . . 42 GLU HB2 . 17147 1 517 . 1 1 44 44 GLU HG2 H 1 2.0780 0.02 . 2 . . . . 42 GLU HG1 . 17147 1 518 . 1 1 44 44 GLU HG3 H 1 2.6070 0.02 . 2 . . . . 42 GLU HG2 . 17147 1 519 . 1 1 44 44 GLU C C 13 177.8630 0.2 . 1 . . . . 42 GLU C . 17147 1 520 . 1 1 44 44 GLU CA C 13 61.6870 0.2 . 1 . . . . 42 GLU CA . 17147 1 521 . 1 1 44 44 GLU CB C 13 28.5790 0.2 . 1 . . . . 42 GLU CB . 17147 1 522 . 1 1 44 44 GLU CG C 13 37.3500 0.2 . 1 . . . . 42 GLU CG . 17147 1 523 . 1 1 44 44 GLU N N 15 124.3540 0.2 . 1 . . . . 42 GLU N . 17147 1 524 . 1 1 45 45 ALA H H 1 8.4570 0.02 . 1 . . . . 43 ALA HN . 17147 1 525 . 1 1 45 45 ALA HA H 1 3.9520 0.02 . 1 . . . . 43 ALA HA . 17147 1 526 . 1 1 45 45 ALA HB1 H 1 1.4550 0.02 . 1 . . . . 43 ALA HB1 . 17147 1 527 . 1 1 45 45 ALA HB2 H 1 1.4550 0.02 . 1 . . . . 43 ALA HB1 . 17147 1 528 . 1 1 45 45 ALA HB3 H 1 1.4550 0.02 . 1 . . . . 43 ALA HB1 . 17147 1 529 . 1 1 45 45 ALA C C 13 180.5580 0.2 . 1 . . . . 43 ALA C . 17147 1 530 . 1 1 45 45 ALA CA C 13 55.6560 0.2 . 1 . . . . 43 ALA CA . 17147 1 531 . 1 1 45 45 ALA CB C 13 18.4050 0.2 . 1 . . . . 43 ALA CB . 17147 1 532 . 1 1 45 45 ALA N N 15 119.6330 0.2 . 1 . . . . 43 ALA N . 17147 1 533 . 1 1 46 46 ARG H H 1 7.6880 0.02 . 1 . . . . 44 ARG HN . 17147 1 534 . 1 1 46 46 ARG HA H 1 4.2460 0.02 . 1 . . . . 44 ARG HA . 17147 1 535 . 1 1 46 46 ARG HB2 H 1 1.9900 0.02 . 2 . . . . 44 ARG HB1 . 17147 1 536 . 1 1 46 46 ARG HB3 H 1 2.0910 0.02 . 2 . . . . 44 ARG HB2 . 17147 1 537 . 1 1 46 46 ARG HD2 H 1 3.2730 0.02 . 2 . . . . 44 ARG HD1 . 17147 1 538 . 1 1 46 46 ARG HD3 H 1 3.1730 0.02 . 2 . . . . 44 ARG HD2 . 17147 1 539 . 1 1 46 46 ARG HG2 H 1 1.7950 0.02 . 2 . . . . 44 ARG HG1 . 17147 1 540 . 1 1 46 46 ARG HG3 H 1 1.9310 0.02 . 2 . . . . 44 ARG HG2 . 17147 1 541 . 1 1 46 46 ARG C C 13 179.7960 0.2 . 1 . . . . 44 ARG C . 17147 1 542 . 1 1 46 46 ARG CA C 13 58.9680 0.2 . 1 . . . . 44 ARG CA . 17147 1 543 . 1 1 46 46 ARG CB C 13 30.8300 0.2 . 1 . . . . 44 ARG CB . 17147 1 544 . 1 1 46 46 ARG CD C 13 43.2000 0.2 . 1 . . . . 44 ARG CD . 17147 1 545 . 1 1 46 46 ARG CG C 13 27.7620 0.2 . 1 . . . . 44 ARG CG . 17147 1 546 . 1 1 46 46 ARG N N 15 117.1530 0.2 . 1 . . . . 44 ARG N . 17147 1 547 . 1 1 47 47 VAL H H 1 8.1810 0.02 . 1 . . . . 45 VAL HN . 17147 1 548 . 1 1 47 47 VAL HA H 1 3.7330 0.02 . 1 . . . . 45 VAL HA . 17147 1 549 . 1 1 47 47 VAL HB H 1 2.4270 0.02 . 1 . . . . 45 VAL HB . 17147 1 550 . 1 1 47 47 VAL HG11 H 1 1.1500 0.02 . 2 . . . . 45 VAL HG11 . 17147 1 551 . 1 1 47 47 VAL HG12 H 1 1.1500 0.02 . 2 . . . . 45 VAL HG11 . 17147 1 552 . 1 1 47 47 VAL HG13 H 1 1.1500 0.02 . 2 . . . . 45 VAL HG11 . 17147 1 553 . 1 1 47 47 VAL HG21 H 1 1.0350 0.02 . 2 . . . . 45 VAL HG21 . 17147 1 554 . 1 1 47 47 VAL HG22 H 1 1.0350 0.02 . 2 . . . . 45 VAL HG21 . 17147 1 555 . 1 1 47 47 VAL HG23 H 1 1.0350 0.02 . 2 . . . . 45 VAL HG21 . 17147 1 556 . 1 1 47 47 VAL C C 13 177.4740 0.2 . 1 . . . . 45 VAL C . 17147 1 557 . 1 1 47 47 VAL CA C 13 67.5180 0.2 . 1 . . . . 45 VAL CA . 17147 1 558 . 1 1 47 47 VAL CB C 13 32.4670 0.2 . 1 . . . . 45 VAL CB . 17147 1 559 . 1 1 47 47 VAL CG1 C 13 22.4280 0.2 . 2 . . . . 45 VAL CG1 . 17147 1 560 . 1 1 47 47 VAL CG2 C 13 23.7700 0.2 . 2 . . . . 45 VAL CG2 . 17147 1 561 . 1 1 47 47 VAL N N 15 120.9750 0.2 . 1 . . . . 45 VAL N . 17147 1 562 . 1 1 48 48 ARG H H 1 9.3040 0.02 . 1 . . . . 46 ARG HN . 17147 1 563 . 1 1 48 48 ARG HA H 1 3.9260 0.02 . 1 . . . . 46 ARG HA . 17147 1 564 . 1 1 48 48 ARG HB2 H 1 2.2360 0.02 . 2 . . . . 46 ARG HB1 . 17147 1 565 . 1 1 48 48 ARG HB3 H 1 2.0980 0.02 . 2 . . . . 46 ARG HB2 . 17147 1 566 . 1 1 48 48 ARG HD2 H 1 3.3060 0.02 . 2 . . . . 46 ARG HD2 . 17147 1 567 . 1 1 48 48 ARG HE H 1 9.4070 0.02 . 1 . . . . 46 ARG HE . 17147 1 568 . 1 1 48 48 ARG HG2 H 1 1.5320 0.02 . 2 . . . . 46 ARG HG1 . 17147 1 569 . 1 1 48 48 ARG HG3 H 1 1.6700 0.02 . 2 . . . . 46 ARG HG2 . 17147 1 570 . 1 1 48 48 ARG C C 13 179.3780 0.2 . 1 . . . . 46 ARG C . 17147 1 571 . 1 1 48 48 ARG CA C 13 60.7170 0.2 . 1 . . . . 46 ARG CA . 17147 1 572 . 1 1 48 48 ARG CB C 13 30.5760 0.2 . 1 . . . . 46 ARG CB . 17147 1 573 . 1 1 48 48 ARG CD C 13 43.7500 0.2 . 1 . . . . 46 ARG CD . 17147 1 574 . 1 1 48 48 ARG CG C 13 26.1870 0.2 . 1 . . . . 46 ARG CG . 17147 1 575 . 1 1 48 48 ARG N N 15 120.9150 0.2 . 1 . . . . 46 ARG N . 17147 1 576 . 1 1 48 48 ARG NE N 15 81.0250 0.2 . 1 . . . . 46 ARG NE . 17147 1 577 . 1 1 49 49 VAL H H 1 7.9020 0.02 . 1 . . . . 47 VAL HN . 17147 1 578 . 1 1 49 49 VAL HA H 1 3.7520 0.02 . 1 . . . . 47 VAL HA . 17147 1 579 . 1 1 49 49 VAL HB H 1 2.2380 0.02 . 1 . . . . 47 VAL HB . 17147 1 580 . 1 1 49 49 VAL HG11 H 1 1.1904 0.02 . 2 . . . . 47 VAL HG11 . 17147 1 581 . 1 1 49 49 VAL HG12 H 1 1.1904 0.02 . 2 . . . . 47 VAL HG11 . 17147 1 582 . 1 1 49 49 VAL HG13 H 1 1.1904 0.02 . 2 . . . . 47 VAL HG11 . 17147 1 583 . 1 1 49 49 VAL HG21 H 1 1.0848 0.02 . 2 . . . . 47 VAL HG21 . 17147 1 584 . 1 1 49 49 VAL HG22 H 1 1.0848 0.02 . 2 . . . . 47 VAL HG21 . 17147 1 585 . 1 1 49 49 VAL HG23 H 1 1.0848 0.02 . 2 . . . . 47 VAL HG21 . 17147 1 586 . 1 1 49 49 VAL C C 13 177.2570 0.2 . 1 . . . . 47 VAL C . 17147 1 587 . 1 1 49 49 VAL CA C 13 66.5000 0.2 . 1 . . . . 47 VAL CA . 17147 1 588 . 1 1 49 49 VAL CB C 13 32.2910 0.2 . 1 . . . . 47 VAL CB . 17147 1 589 . 1 1 49 49 VAL CG1 C 13 23.3050 0.2 . 2 . . . . 47 VAL CG1 . 17147 1 590 . 1 1 49 49 VAL CG2 C 13 21.3543 0.2 . 2 . . . . 47 VAL CG2 . 17147 1 591 . 1 1 49 49 VAL N N 15 119.1650 0.2 . 1 . . . . 47 VAL N . 17147 1 592 . 1 1 50 50 TRP H H 1 8.3860 0.02 . 1 . . . . 48 TRP HN . 17147 1 593 . 1 1 50 50 TRP HA H 1 4.0060 0.02 . 1 . . . . 48 TRP HA . 17147 1 594 . 1 1 50 50 TRP HB2 H 1 3.4700 0.02 . 2 . . . . 48 TRP HB1 . 17147 1 595 . 1 1 50 50 TRP HB3 H 1 3.2770 0.02 . 2 . . . . 48 TRP HB2 . 17147 1 596 . 1 1 50 50 TRP HD1 H 1 6.6000 0.02 . 1 . . . . 48 TRP HD1 . 17147 1 597 . 1 1 50 50 TRP HE1 H 1 9.1920 0.02 . 1 . . . . 48 TRP HE1 . 17147 1 598 . 1 1 50 50 TRP HE3 H 1 5.5000 0.02 . 1 . . . . 48 TRP HE3 . 17147 1 599 . 1 1 50 50 TRP HH2 H 1 6.4500 0.02 . 1 . . . . 48 TRP HH2 . 17147 1 600 . 1 1 50 50 TRP HZ2 H 1 7.1570 0.02 . 1 . . . . 48 TRP HZ2 . 17147 1 601 . 1 1 50 50 TRP HZ3 H 1 6.5100 0.02 . 1 . . . . 48 TRP HZ3 . 17147 1 602 . 1 1 50 50 TRP C C 13 179.7900 0.2 . 1 . . . . 48 TRP C . 17147 1 603 . 1 1 50 50 TRP CA C 13 63.5590 0.2 . 1 . . . . 48 TRP CA . 17147 1 604 . 1 1 50 50 TRP CB C 13 28.6540 0.2 . 1 . . . . 48 TRP CB . 17147 1 605 . 1 1 50 50 TRP CD1 C 13 127.0000 0.2 . 1 . . . . 48 TRP CD1 . 17147 1 606 . 1 1 50 50 TRP CH2 C 13 123.4500 0.2 . 1 . . . . 48 TRP CH2 . 17147 1 607 . 1 1 50 50 TRP CZ2 C 13 113.8840 0.2 . 1 . . . . 48 TRP CZ2 . 17147 1 608 . 1 1 50 50 TRP N N 15 121.9670 0.2 . 1 . . . . 48 TRP N . 17147 1 609 . 1 1 50 50 TRP NE1 N 15 128.1790 0.2 . 1 . . . . 48 TRP NE1 . 17147 1 610 . 1 1 51 51 PHE H H 1 8.9790 0.02 . 1 . . . . 49 PHE HN . 17147 1 611 . 1 1 51 51 PHE HA H 1 3.7240 0.02 . 1 . . . . 49 PHE HA . 17147 1 612 . 1 1 51 51 PHE HB2 H 1 3.2740 0.02 . 2 . . . . 49 PHE HB2 . 17147 1 613 . 1 1 51 51 PHE HD1 H 1 7.7815 0.02 . 3 . . . . 49 PHE HD1 . 17147 1 614 . 1 1 51 51 PHE HE1 H 1 7.5874 0.02 . 3 . . . . 49 PHE HE1 . 17147 1 615 . 1 1 51 51 PHE HZ H 1 7.4310 0.02 . 1 . . . . 49 PHE HZ . 17147 1 616 . 1 1 51 51 PHE C C 13 177.7400 0.2 . 1 . . . . 49 PHE C . 17147 1 617 . 1 1 51 51 PHE CA C 13 63.7630 0.2 . 1 . . . . 49 PHE CA . 17147 1 618 . 1 1 51 51 PHE CB C 13 39.2660 0.2 . 1 . . . . 49 PHE CB . 17147 1 619 . 1 1 51 51 PHE CD1 C 13 132.0400 0.2 . 1 . . . . 49 PHE CD1 . 17147 1 620 . 1 1 51 51 PHE CE1 C 13 132.0400 0.2 . 1 . . . . 49 PHE CE1 . 17147 1 621 . 1 1 51 51 PHE CZ C 13 129.9800 0.2 . 1 . . . . 49 PHE CZ . 17147 1 622 . 1 1 51 51 PHE N N 15 117.7830 0.2 . 1 . . . . 49 PHE N . 17147 1 623 . 1 1 52 52 LYS H H 1 7.9370 0.02 . 1 . . . . 50 LYS HN . 17147 1 624 . 1 1 52 52 LYS HA H 1 3.9820 0.02 . 1 . . . . 50 LYS HA . 17147 1 625 . 1 1 52 52 LYS HB2 H 1 2.0460 0.02 . 2 . . . . 50 LYS HB1 . 17147 1 626 . 1 1 52 52 LYS HB3 H 1 1.9640 0.02 . 2 . . . . 50 LYS HB2 . 17147 1 627 . 1 1 52 52 LYS HD2 H 1 1.7840 0.02 . 2 . . . . 50 LYS HD1 . 17147 1 628 . 1 1 52 52 LYS HD3 H 1 1.7170 0.02 . 2 . . . . 50 LYS HD2 . 17147 1 629 . 1 1 52 52 LYS HE2 H 1 3.0460 0.02 . 2 . . . . 50 LYS HE2 . 17147 1 630 . 1 1 52 52 LYS HG2 H 1 1.7130 0.02 . 2 . . . . 50 LYS HG1 . 17147 1 631 . 1 1 52 52 LYS HG3 H 1 1.4780 0.02 . 2 . . . . 50 LYS HG2 . 17147 1 632 . 1 1 52 52 LYS C C 13 179.9200 0.2 . 1 . . . . 50 LYS C . 17147 1 633 . 1 1 52 52 LYS CA C 13 60.5150 0.2 . 1 . . . . 50 LYS CA . 17147 1 634 . 1 1 52 52 LYS CB C 13 32.4750 0.2 . 1 . . . . 50 LYS CB . 17147 1 635 . 1 1 52 52 LYS CD C 13 29.6580 0.2 . 1 . . . . 50 LYS CD . 17147 1 636 . 1 1 52 52 LYS CE C 13 42.0290 0.2 . 1 . . . . 50 LYS CE . 17147 1 637 . 1 1 52 52 LYS CG C 13 24.9170 0.2 . 1 . . . . 50 LYS CG . 17147 1 638 . 1 1 52 52 LYS N N 15 120.3100 0.2 . 1 . . . . 50 LYS N . 17147 1 639 . 1 1 53 53 ASN H H 1 8.2850 0.02 . 1 . . . . 51 ASN HN . 17147 1 640 . 1 1 53 53 ASN HA H 1 4.3590 0.02 . 1 . . . . 51 ASN HA . 17147 1 641 . 1 1 53 53 ASN HB2 H 1 2.5010 0.02 . 2 . . . . 51 ASN HB1 . 17147 1 642 . 1 1 53 53 ASN HB3 H 1 2.6620 0.02 . 2 . . . . 51 ASN HB2 . 17147 1 643 . 1 1 53 53 ASN HD21 H 1 7.5100 0.02 . 2 . . . . 51 ASN HD21 . 17147 1 644 . 1 1 53 53 ASN HD22 H 1 6.9730 0.02 . 2 . . . . 51 ASN HD22 . 17147 1 645 . 1 1 53 53 ASN C C 13 177.5490 0.2 . 1 . . . . 51 ASN C . 17147 1 646 . 1 1 53 53 ASN CA C 13 55.5550 0.2 . 1 . . . . 51 ASN CA . 17147 1 647 . 1 1 53 53 ASN CB C 13 37.7900 0.2 . 1 . . . . 51 ASN CB . 17147 1 648 . 1 1 53 53 ASN N N 15 119.1550 0.2 . 1 . . . . 51 ASN N . 17147 1 649 . 1 1 53 53 ASN ND2 N 15 112.7580 0.2 . 1 . . . . 51 ASN ND2 . 17147 1 650 . 1 1 54 54 ARG H H 1 8.4530 0.02 . 1 . . . . 52 ARG HN . 17147 1 651 . 1 1 54 54 ARG HA H 1 3.5120 0.02 . 1 . . . . 52 ARG HA . 17147 1 652 . 1 1 54 54 ARG HB2 H 1 -0.5440 0.02 . 2 . . . . 52 ARG HB1 . 17147 1 653 . 1 1 54 54 ARG HB3 H 1 0.6860 0.02 . 2 . . . . 52 ARG HB2 . 17147 1 654 . 1 1 54 54 ARG HD2 H 1 2.4190 0.02 . 2 . . . . 52 ARG HD1 . 17147 1 655 . 1 1 54 54 ARG HD3 H 1 2.0840 0.02 . 2 . . . . 52 ARG HD2 . 17147 1 656 . 1 1 54 54 ARG HE H 1 9.8919 0.02 . 1 . . . . 52 ARG HE . 17147 1 657 . 1 1 54 54 ARG HG2 H 1 -0.6120 0.02 . 2 . . . . 52 ARG HG1 . 17147 1 658 . 1 1 54 54 ARG HG3 H 1 -0.2250 0.02 . 2 . . . . 52 ARG HG2 . 17147 1 659 . 1 1 54 54 ARG C C 13 179.9650 0.2 . 1 . . . . 52 ARG C . 17147 1 660 . 1 1 54 54 ARG CA C 13 56.4710 0.2 . 1 . . . . 52 ARG CA . 17147 1 661 . 1 1 54 54 ARG CB C 13 27.7710 0.2 . 1 . . . . 52 ARG CB . 17147 1 662 . 1 1 54 54 ARG CD C 13 40.4420 0.2 . 1 . . . . 52 ARG CD . 17147 1 663 . 1 1 54 54 ARG CG C 13 24.1010 0.2 . 1 . . . . 52 ARG CG . 17147 1 664 . 1 1 54 54 ARG N N 15 124.0650 0.2 . 1 . . . . 52 ARG N . 17147 1 665 . 1 1 54 54 ARG NE N 15 89.4890 0.2 . 1 . . . . 52 ARG NE . 17147 1 666 . 1 1 55 55 ARG H H 1 8.4030 0.02 . 1 . . . . 53 ARG HN . 17147 1 667 . 1 1 55 55 ARG HA H 1 4.2780 0.02 . 1 . . . . 53 ARG HA . 17147 1 668 . 1 1 55 55 ARG HB2 H 1 2.3500 0.02 . 2 . . . . 53 ARG HB2 . 17147 1 669 . 1 1 55 55 ARG HD2 H 1 2.7190 0.02 . 2 . . . . 53 ARG HD1 . 17147 1 670 . 1 1 55 55 ARG HD3 H 1 2.7460 0.02 . 2 . . . . 53 ARG HD2 . 17147 1 671 . 1 1 55 55 ARG HG2 H 1 1.8940 0.02 . 2 . . . . 53 ARG HG1 . 17147 1 672 . 1 1 55 55 ARG HG3 H 1 1.9350 0.02 . 2 . . . . 53 ARG HG2 . 17147 1 673 . 1 1 55 55 ARG C C 13 178.1570 0.2 . 1 . . . . 53 ARG C . 17147 1 674 . 1 1 55 55 ARG CA C 13 60.8850 0.2 . 1 . . . . 53 ARG CA . 17147 1 675 . 1 1 55 55 ARG CB C 13 31.6000 0.2 . 1 . . . . 53 ARG CB . 17147 1 676 . 1 1 55 55 ARG CD C 13 43.9110 0.2 . 1 . . . . 53 ARG CD . 17147 1 677 . 1 1 55 55 ARG CG C 13 31.5850 0.2 . 1 . . . . 53 ARG CG . 17147 1 678 . 1 1 55 55 ARG N N 15 119.6250 0.2 . 1 . . . . 53 ARG N . 17147 1 679 . 1 1 56 56 ALA H H 1 7.4760 0.02 . 1 . . . . 54 ALA HN . 17147 1 680 . 1 1 56 56 ALA HA H 1 4.1870 0.02 . 1 . . . . 54 ALA HA . 17147 1 681 . 1 1 56 56 ALA HB1 H 1 1.5320 0.02 . 1 . . . . 54 ALA HB1 . 17147 1 682 . 1 1 56 56 ALA HB2 H 1 1.5320 0.02 . 1 . . . . 54 ALA HB1 . 17147 1 683 . 1 1 56 56 ALA HB3 H 1 1.5320 0.02 . 1 . . . . 54 ALA HB1 . 17147 1 684 . 1 1 56 56 ALA C C 13 179.8940 0.2 . 1 . . . . 54 ALA C . 17147 1 685 . 1 1 56 56 ALA CA C 13 55.1670 0.2 . 1 . . . . 54 ALA CA . 17147 1 686 . 1 1 56 56 ALA CB C 13 17.7100 0.2 . 1 . . . . 54 ALA CB . 17147 1 687 . 1 1 56 56 ALA N N 15 121.5920 0.2 . 1 . . . . 54 ALA N . 17147 1 688 . 1 1 57 57 LYS H H 1 7.4480 0.02 . 1 . . . . 55 LYS HN . 17147 1 689 . 1 1 57 57 LYS HA H 1 4.0240 0.02 . 1 . . . . 55 LYS HA . 17147 1 690 . 1 1 57 57 LYS HB2 H 1 1.7770 0.02 . 2 . . . . 55 LYS HB2 . 17147 1 691 . 1 1 57 57 LYS HD2 H 1 1.5140 0.02 . 2 . . . . 55 LYS HD2 . 17147 1 692 . 1 1 57 57 LYS HE2 H 1 2.8430 0.02 . 2 . . . . 55 LYS HE2 . 17147 1 693 . 1 1 57 57 LYS HG2 H 1 1.3010 0.02 . 2 . . . . 55 LYS HG1 . 17147 1 694 . 1 1 57 57 LYS HG3 H 1 1.4380 0.02 . 2 . . . . 55 LYS HG2 . 17147 1 695 . 1 1 57 57 LYS C C 13 178.1770 0.2 . 1 . . . . 55 LYS C . 17147 1 696 . 1 1 57 57 LYS CA C 13 58.8800 0.2 . 1 . . . . 55 LYS CA . 17147 1 697 . 1 1 57 57 LYS CB C 13 32.7280 0.2 . 1 . . . . 55 LYS CB . 17147 1 698 . 1 1 57 57 LYS CD C 13 29.3880 0.2 . 1 . . . . 55 LYS CD . 17147 1 699 . 1 1 57 57 LYS CE C 13 42.0210 0.2 . 1 . . . . 55 LYS CE . 17147 1 700 . 1 1 57 57 LYS CG C 13 24.9370 0.2 . 1 . . . . 55 LYS CG . 17147 1 701 . 1 1 57 57 LYS N N 15 118.3450 0.2 . 1 . . . . 55 LYS N . 17147 1 702 . 1 1 58 58 TRP H H 1 8.0820 0.02 . 1 . . . . 56 TRP HN . 17147 1 703 . 1 1 58 58 TRP HA H 1 4.6170 0.02 . 1 . . . . 56 TRP HA . 17147 1 704 . 1 1 58 58 TRP HB2 H 1 3.7750 0.02 . 2 . . . . 56 TRP HB1 . 17147 1 705 . 1 1 58 58 TRP HB3 H 1 3.3700 0.02 . 2 . . . . 56 TRP HB2 . 17147 1 706 . 1 1 58 58 TRP HD1 H 1 7.4710 0.02 . 1 . . . . 56 TRP HD1 . 17147 1 707 . 1 1 58 58 TRP HE1 H 1 10.3110 0.02 . 1 . . . . 56 TRP HE1 . 17147 1 708 . 1 1 58 58 TRP HE3 H 1 7.6850 0.02 . 1 . . . . 56 TRP HE3 . 17147 1 709 . 1 1 58 58 TRP HH2 H 1 7.2830 0.02 . 1 . . . . 56 TRP HH2 . 17147 1 710 . 1 1 58 58 TRP HZ2 H 1 7.4900 0.02 . 1 . . . . 56 TRP HZ2 . 17147 1 711 . 1 1 58 58 TRP HZ3 H 1 7.1710 0.02 . 1 . . . . 56 TRP HZ3 . 17147 1 712 . 1 1 58 58 TRP C C 13 177.7070 0.2 . 1 . . . . 56 TRP C . 17147 1 713 . 1 1 58 58 TRP CA C 13 59.3260 0.2 . 1 . . . . 56 TRP CA . 17147 1 714 . 1 1 58 58 TRP CB C 13 29.4280 0.2 . 1 . . . . 56 TRP CB . 17147 1 715 . 1 1 58 58 TRP CD1 C 13 127.4320 0.2 . 1 . . . . 56 TRP CD1 . 17147 1 716 . 1 1 58 58 TRP CE3 C 13 119.8500 0.2 . 1 . . . . 56 TRP CE3 . 17147 1 717 . 1 1 58 58 TRP CH2 C 13 124.7500 0.2 . 1 . . . . 56 TRP CH2 . 17147 1 718 . 1 1 58 58 TRP CZ2 C 13 114.8500 0.2 . 1 . . . . 56 TRP CZ2 . 17147 1 719 . 1 1 58 58 TRP CZ3 C 13 121.8000 0.2 . 1 . . . . 56 TRP CZ3 . 17147 1 720 . 1 1 58 58 TRP N N 15 121.3380 0.2 . 1 . . . . 56 TRP N . 17147 1 721 . 1 1 58 58 TRP NE1 N 15 130.5870 0.2 . 1 . . . . 56 TRP NE1 . 17147 1 722 . 1 1 59 59 ARG H H 1 8.3250 0.02 . 1 . . . . 57 ARG HN . 17147 1 723 . 1 1 59 59 ARG HA H 1 3.7750 0.02 . 1 . . . . 57 ARG HA . 17147 1 724 . 1 1 59 59 ARG HB2 H 1 1.8390 0.02 . 2 . . . . 57 ARG HB2 . 17147 1 725 . 1 1 59 59 ARG HD2 H 1 3.2000 0.02 . 2 . . . . 57 ARG HD2 . 17147 1 726 . 1 1 59 59 ARG HG2 H 1 1.5590 0.02 . 2 . . . . 57 ARG HG1 . 17147 1 727 . 1 1 59 59 ARG HG3 H 1 1.8500 0.02 . 2 . . . . 57 ARG HG2 . 17147 1 728 . 1 1 59 59 ARG C C 13 177.3830 0.2 . 1 . . . . 57 ARG C . 17147 1 729 . 1 1 59 59 ARG CA C 13 58.1000 0.2 . 1 . . . . 57 ARG CA . 17147 1 730 . 1 1 59 59 ARG CB C 13 30.7340 0.2 . 1 . . . . 57 ARG CB . 17147 1 731 . 1 1 59 59 ARG CD C 13 43.5370 0.2 . 1 . . . . 57 ARG CD . 17147 1 732 . 1 1 59 59 ARG CG C 13 28.3100 0.2 . 1 . . . . 57 ARG CG . 17147 1 733 . 1 1 59 59 ARG N N 15 118.4720 0.2 . 1 . . . . 57 ARG N . 17147 1 734 . 1 1 60 60 LYS H H 1 7.6070 0.02 . 1 . . . . 58 LYS HN . 17147 1 735 . 1 1 60 60 LYS HA H 1 4.1550 0.02 . 1 . . . . 58 LYS HA . 17147 1 736 . 1 1 60 60 LYS HB2 H 1 1.7960 0.02 . 2 . . . . 58 LYS HB1 . 17147 1 737 . 1 1 60 60 LYS HB3 H 1 1.8950 0.02 . 2 . . . . 58 LYS HB2 . 17147 1 738 . 1 1 60 60 LYS HD2 H 1 1.6870 0.02 . 2 . . . . 58 LYS HD2 . 17147 1 739 . 1 1 60 60 LYS HE2 H 1 2.9650 0.02 . 2 . . . . 58 LYS HE2 . 17147 1 740 . 1 1 60 60 LYS HG2 H 1 1.4280 0.02 . 2 . . . . 58 LYS HG1 . 17147 1 741 . 1 1 60 60 LYS HG3 H 1 1.5160 0.02 . 2 . . . . 58 LYS HG2 . 17147 1 742 . 1 1 60 60 LYS C C 13 177.0210 0.2 . 1 . . . . 58 LYS C . 17147 1 743 . 1 1 60 60 LYS CA C 13 57.1430 0.2 . 1 . . . . 58 LYS CA . 17147 1 744 . 1 1 60 60 LYS CB C 13 32.6670 0.2 . 1 . . . . 58 LYS CB . 17147 1 745 . 1 1 60 60 LYS CD C 13 29.2040 0.2 . 1 . . . . 58 LYS CD . 17147 1 746 . 1 1 60 60 LYS CE C 13 42.1340 0.2 . 1 . . . . 58 LYS CE . 17147 1 747 . 1 1 60 60 LYS CG C 13 24.9110 0.2 . 1 . . . . 58 LYS CG . 17147 1 748 . 1 1 60 60 LYS N N 15 118.7360 0.2 . 1 . . . . 58 LYS N . 17147 1 749 . 1 1 61 61 ARG H H 1 7.8850 0.02 . 1 . . . . 59 ARG HN . 17147 1 750 . 1 1 61 61 ARG HA H 1 4.2200 0.02 . 1 . . . . 59 ARG HA . 17147 1 751 . 1 1 61 61 ARG HB2 H 1 1.8430 0.02 . 2 . . . . 59 ARG HB2 . 17147 1 752 . 1 1 61 61 ARG HD2 H 1 3.0400 0.02 . 2 . . . . 59 ARG HD1 . 17147 1 753 . 1 1 61 61 ARG HD3 H 1 3.0810 0.02 . 2 . . . . 59 ARG HD2 . 17147 1 754 . 1 1 61 61 ARG HG2 H 1 1.5680 0.02 . 2 . . . . 59 ARG HG2 . 17147 1 755 . 1 1 61 61 ARG C C 13 176.5340 0.2 . 1 . . . . 59 ARG C . 17147 1 756 . 1 1 61 61 ARG CA C 13 56.3510 0.2 . 1 . . . . 59 ARG CA . 17147 1 757 . 1 1 61 61 ARG CB C 13 30.3330 0.2 . 1 . . . . 59 ARG CB . 17147 1 758 . 1 1 61 61 ARG CD C 13 43.2000 0.2 . 1 . . . . 59 ARG CD . 17147 1 759 . 1 1 61 61 ARG CG C 13 26.9920 0.2 . 1 . . . . 59 ARG CG . 17147 1 760 . 1 1 61 61 ARG N N 15 118.9710 0.2 . 1 . . . . 59 ARG N . 17147 1 761 . 1 1 62 62 GLU H H 1 8.1900 0.02 . 1 . . . . 60 GLU HN . 17147 1 762 . 1 1 62 62 GLU HA H 1 4.1270 0.02 . 1 . . . . 60 GLU HA . 17147 1 763 . 1 1 62 62 GLU HB2 H 1 1.7530 0.02 . 2 . . . . 60 GLU HB1 . 17147 1 764 . 1 1 62 62 GLU HB3 H 1 1.8720 0.02 . 2 . . . . 60 GLU HB2 . 17147 1 765 . 1 1 62 62 GLU HG2 H 1 2.0150 0.02 . 2 . . . . 60 GLU HG2 . 17147 1 766 . 1 1 62 62 GLU C C 13 176.4410 0.2 . 1 . . . . 60 GLU C . 17147 1 767 . 1 1 62 62 GLU CA C 13 56.7960 0.2 . 1 . . . . 60 GLU CA . 17147 1 768 . 1 1 62 62 GLU CB C 13 30.1270 0.2 . 1 . . . . 60 GLU CB . 17147 1 769 . 1 1 62 62 GLU CG C 13 36.4000 0.2 . 1 . . . . 60 GLU CG . 17147 1 770 . 1 1 62 62 GLU N N 15 120.1440 0.2 . 1 . . . . 60 GLU N . 17147 1 771 . 1 1 63 63 GLU H H 1 8.0840 0.02 . 1 . . . . 61 GLU HN . 17147 1 772 . 1 1 63 63 GLU HA H 1 4.0770 0.02 . 1 . . . . 61 GLU HA . 17147 1 773 . 1 1 63 63 GLU HB2 H 1 1.7530 0.02 . 2 . . . . 61 GLU HB1 . 17147 1 774 . 1 1 63 63 GLU HB3 H 1 1.8720 0.02 . 2 . . . . 61 GLU HB2 . 17147 1 775 . 1 1 63 63 GLU HG2 H 1 2.0150 0.02 . 2 . . . . 61 GLU HG1 . 17147 1 776 . 1 1 63 63 GLU HG3 H 1 2.1360 0.02 . 2 . . . . 61 GLU HG2 . 17147 1 777 . 1 1 63 63 GLU C C 13 175.8980 0.2 . 1 . . . . 61 GLU C . 17147 1 778 . 1 1 63 63 GLU CA C 13 56.8730 0.2 . 1 . . . . 61 GLU CA . 17147 1 779 . 1 1 63 63 GLU CB C 13 30.2490 0.2 . 1 . . . . 61 GLU CB . 17147 1 780 . 1 1 63 63 GLU CG C 13 36.3440 0.2 . 1 . . . . 61 GLU CG . 17147 1 781 . 1 1 63 63 GLU N N 15 120.5320 0.2 . 1 . . . . 61 GLU N . 17147 1 782 . 1 1 64 64 PHE H H 1 8.0100 0.02 . 1 . . . . 62 PHE HN . 17147 1 783 . 1 1 64 64 PHE HA H 1 4.6140 0.02 . 1 . . . . 62 PHE HA . 17147 1 784 . 1 1 64 64 PHE HB2 H 1 3.1060 0.02 . 2 . . . . 62 PHE HB1 . 17147 1 785 . 1 1 64 64 PHE HB3 H 1 2.9780 0.02 . 2 . . . . 62 PHE HB2 . 17147 1 786 . 1 1 64 64 PHE C C 13 175.0860 0.2 . 1 . . . . 62 PHE C . 17147 1 787 . 1 1 64 64 PHE CA C 13 57.4470 0.2 . 1 . . . . 62 PHE CA . 17147 1 788 . 1 1 64 64 PHE CB C 13 39.4950 0.2 . 1 . . . . 62 PHE CB . 17147 1 789 . 1 1 64 64 PHE N N 15 120.3050 0.2 . 1 . . . . 62 PHE N . 17147 1 790 . 1 1 65 65 ILE H H 1 7.9240 0.02 . 1 . . . . 63 ILE HN . 17147 1 791 . 1 1 65 65 ILE HA H 1 4.1410 0.02 . 1 . . . . 63 ILE HA . 17147 1 792 . 1 1 65 65 ILE HB H 1 1.7670 0.02 . 1 . . . . 63 ILE HB . 17147 1 793 . 1 1 65 65 ILE HD11 H 1 0.8190 0.02 . 1 . . . . 63 ILE HD11 . 17147 1 794 . 1 1 65 65 ILE HD12 H 1 0.8190 0.02 . 1 . . . . 63 ILE HD11 . 17147 1 795 . 1 1 65 65 ILE HD13 H 1 0.8190 0.02 . 1 . . . . 63 ILE HD11 . 17147 1 796 . 1 1 65 65 ILE HG12 H 1 1.1220 0.02 . 2 . . . . 63 ILE HG11 . 17147 1 797 . 1 1 65 65 ILE HG13 H 1 1.4260 0.02 . 2 . . . . 63 ILE HG12 . 17147 1 798 . 1 1 65 65 ILE HG21 H 1 0.8310 0.02 . 1 . . . . 63 ILE HG21 . 17147 1 799 . 1 1 65 65 ILE HG22 H 1 0.8310 0.02 . 1 . . . . 63 ILE HG21 . 17147 1 800 . 1 1 65 65 ILE HG23 H 1 0.8310 0.02 . 1 . . . . 63 ILE HG21 . 17147 1 801 . 1 1 65 65 ILE C C 13 175.6340 0.2 . 1 . . . . 63 ILE C . 17147 1 802 . 1 1 65 65 ILE CA C 13 60.7560 0.2 . 1 . . . . 63 ILE CA . 17147 1 803 . 1 1 65 65 ILE CB C 13 38.8230 0.2 . 1 . . . . 63 ILE CB . 17147 1 804 . 1 1 65 65 ILE CD1 C 13 12.7050 0.2 . 1 . . . . 63 ILE CD1 . 17147 1 805 . 1 1 65 65 ILE CG1 C 13 27.2990 0.2 . 1 . . . . 63 ILE CG1 . 17147 1 806 . 1 1 65 65 ILE CG2 C 13 17.3620 0.2 . 1 . . . . 63 ILE CG2 . 17147 1 807 . 1 1 65 65 ILE N N 15 123.5650 0.2 . 1 . . . . 63 ILE N . 17147 1 808 . 1 1 66 66 VAL H H 1 8.2920 0.02 . 1 . . . . 64 VAL HN . 17147 1 809 . 1 1 66 66 VAL HA H 1 4.1670 0.02 . 1 . . . . 64 VAL HA . 17147 1 810 . 1 1 66 66 VAL HB H 1 2.0700 0.02 . 1 . . . . 64 VAL HB . 17147 1 811 . 1 1 66 66 VAL HG11 H 1 0.9720 0.02 . 2 . . . . 64 VAL HG11 . 17147 1 812 . 1 1 66 66 VAL HG12 H 1 0.9720 0.02 . 2 . . . . 64 VAL HG11 . 17147 1 813 . 1 1 66 66 VAL HG13 H 1 0.9720 0.02 . 2 . . . . 64 VAL HG11 . 17147 1 814 . 1 1 66 66 VAL HG21 H 1 0.9720 0.02 . 2 . . . . 64 VAL HG21 . 17147 1 815 . 1 1 66 66 VAL HG22 H 1 0.9720 0.02 . 2 . . . . 64 VAL HG21 . 17147 1 816 . 1 1 66 66 VAL HG23 H 1 0.9720 0.02 . 2 . . . . 64 VAL HG21 . 17147 1 817 . 1 1 66 66 VAL C C 13 176.2130 0.2 . 1 . . . . 64 VAL C . 17147 1 818 . 1 1 66 66 VAL CA C 13 62.3100 0.2 . 1 . . . . 64 VAL CA . 17147 1 819 . 1 1 66 66 VAL CB C 13 32.8170 0.2 . 1 . . . . 64 VAL CB . 17147 1 820 . 1 1 66 66 VAL CG1 C 13 21.0660 0.2 . 2 . . . . 64 VAL CG1 . 17147 1 821 . 1 1 66 66 VAL CG2 C 13 21.0660 0.2 . 2 . . . . 64 VAL CG2 . 17147 1 822 . 1 1 66 66 VAL N N 15 125.6640 0.2 . 1 . . . . 64 VAL N . 17147 1 823 . 1 1 67 67 THR H H 1 8.2880 0.02 . 1 . . . . 65 THR HN . 17147 1 824 . 1 1 67 67 THR HA H 1 4.4180 0.02 . 1 . . . . 65 THR HA . 17147 1 825 . 1 1 67 67 THR HB H 1 4.2860 0.02 . 1 . . . . 65 THR HB . 17147 1 826 . 1 1 67 67 THR HG21 H 1 1.1790 0.02 . 1 . . . . 65 THR HG21 . 17147 1 827 . 1 1 67 67 THR HG22 H 1 1.1790 0.02 . 1 . . . . 65 THR HG21 . 17147 1 828 . 1 1 67 67 THR HG23 H 1 1.1790 0.02 . 1 . . . . 65 THR HG21 . 17147 1 829 . 1 1 67 67 THR C C 13 173.4820 0.2 . 1 . . . . 65 THR C . 17147 1 830 . 1 1 67 67 THR CA C 13 61.2000 0.2 . 1 . . . . 65 THR CA . 17147 1 831 . 1 1 67 67 THR CB C 13 70.1560 0.2 . 1 . . . . 65 THR CB . 17147 1 832 . 1 1 67 67 THR CG2 C 13 21.3400 0.2 . 1 . . . . 65 THR CG2 . 17147 1 833 . 1 1 67 67 THR N N 15 118.5570 0.2 . 1 . . . . 65 THR N . 17147 1 834 . 1 1 68 68 ASP H H 1 7.9690 0.02 . 1 . . . . 66 ASP HN . 17147 1 835 . 1 1 68 68 ASP HA H 1 4.3570 0.02 . 1 . . . . 66 ASP HA . 17147 1 836 . 1 1 68 68 ASP HB2 H 1 2.6730 0.02 . 2 . . . . 66 ASP HB1 . 17147 1 837 . 1 1 68 68 ASP HB3 H 1 2.5640 0.02 . 2 . . . . 66 ASP HB2 . 17147 1 838 . 1 1 68 68 ASP CA C 13 55.9820 0.2 . 1 . . . . 66 ASP CA . 17147 1 839 . 1 1 68 68 ASP CB C 13 42.3030 0.2 . 1 . . . . 66 ASP CB . 17147 1 840 . 1 1 68 68 ASP N N 15 128.2600 0.2 . 1 . . . . 66 ASP N . 17147 1 stop_ save_