data_17145 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17145 _Entry.Title ; Chemical Shifts of the R24H Pitx2 Homeodomain Mutant ; _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 R24H Pitx2 Homeodomain Mutant' _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 . . . 17145 2 Douglas Kojetin . J. . 17145 3 Jamie Baird-Titus . M. . 17145 4 Mark Rance . . . 17145 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17145 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 17145 '15N chemical shifts' 78 17145 '1H chemical shifts' 466 17145 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' 17145 1 . . 2010-11-09 2010-08-24 original author 'original release' 17145 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17147 'Pitx2 homeodomain Wild-Type' 17145 PDB 2L7M 'BMRB Entry Tracking System' 17145 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17145 _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 . . . 17145 1 2 Douglas Kojetin . J. . 17145 1 3 Jamie Baird-Titus . M. . 17145 1 4 Mark Rance . . . 17145 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17145 _Assembly.ID 1 _Assembly.Name 'Pitx2 homeodomain R24H' _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 R24H' 1 $Pitx2_homeodomain_R24H A . yes native no no . . . 17145 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pitx2_homeodomain_R24H _Entity.Sf_category entity _Entity.Sf_framecode Pitx2_homeodomain_R24H _Entity.Entry_ID 17145 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pitx2_homeodomain_R24H _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 TFQRNHYPDMSTREEIAVWT 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 17147 . Pitx2_homeodomain . . . . . 100.00 68 98.53 98.53 3.26e-39 . . . . 17145 1 2 no BMRB 17452 . Pitx2_HD . . . . . 100.00 68 98.53 98.53 3.26e-39 . . . . 17145 1 3 no BMRB 18015 . PITX2 . . . . . 100.00 68 98.53 98.53 3.26e-39 . . . . 17145 1 4 no PDB 2L7F . "Solution Structure Of The Pitx2 Homeodomain" . . . . . 100.00 68 98.53 98.53 3.26e-39 . . . . 17145 1 5 no PDB 2L7M . "Solution Structure Of The Pitx2 Homeodomain R24h Mutant" . . . . . 100.00 68 100.00 100.00 1.97e-40 . . . . 17145 1 6 no PDB 2LKX . "Nmr Structure Of The Homeodomain Of Pitx2 In Complex With A Taatcc Dna Binding Site" . . . . . 100.00 68 98.53 98.53 3.26e-39 . . . . 17145 1 7 no DBJ BAA75247 . "Brx1a homeoprotein [Mus musculus]" . . . . . 88.24 324 98.33 98.33 6.14e-32 . . . . 17145 1 8 no DBJ BAA75248 . "Brx1b homeoprotein [Mus musculus]" . . . . . 88.24 317 98.33 98.33 6.35e-31 . . . . 17145 1 9 no DBJ BAB69053 . "pitx2 [Paralichthys olivaceus]" . . . . . 88.24 312 98.33 98.33 1.28e-32 . . . . 17145 1 10 no DBJ BAD12775 . "Pitx homologue [Lethenteron camtschaticum]" . . . . . 88.24 199 98.33 98.33 1.37e-33 . . . . 17145 1 11 no DBJ BAG36699 . "unnamed protein product [Homo sapiens]" . . . . . 88.24 324 98.33 98.33 1.08e-31 . . . . 17145 1 12 no EMBL CAA06696 . "XPtx2a [Xenopus laevis]" . . . . . 88.24 326 98.33 98.33 1.85e-30 . . . . 17145 1 13 no EMBL CAA06697 . "XPtx2b [Xenopus laevis]" . . . . . 88.24 316 98.33 98.33 1.20e-30 . . . . 17145 1 14 no EMBL CAA09455 . "Ptx3 protein [Rattus norvegicus]" . . . . . 88.24 302 98.33 98.33 2.87e-36 . . . . 17145 1 15 no EMBL CAB52283 . "homeodomain protein Ptx2A [Rattus norvegicus]" . . . . . 88.24 324 98.33 98.33 6.40e-32 . . . . 17145 1 16 no EMBL CAB52284 . "homeodomain protein Ptx2B [Rattus norvegicus]" . . . . . 88.24 271 98.33 98.33 3.44e-31 . . . . 17145 1 17 no GB AAB38505 . "orthodenticle-like homeobox 2 [Mus musculus]" . . . . . 88.24 271 98.33 98.33 3.44e-31 . . . . 17145 1 18 no GB AAB38864 . "solurshin, partial [Mus musculus]" . . . . . 88.24 255 98.33 98.33 3.72e-31 . . . . 17145 1 19 no GB AAB87380 . "homeobox protein Pitx3 [Mus musculus]" . . . . . 88.24 302 98.33 98.33 2.87e-36 . . . . 17145 1 20 no GB AAC24502 . "homeodomain protein [Homo sapiens]" . . . . . 88.24 302 98.33 98.33 9.57e-36 . . . . 17145 1 21 no GB AAC27322 . "transcription factor Pitx2 [Gallus gallus]" . . . . . 88.24 333 98.33 98.33 1.15e-31 . . . . 17145 1 22 no REF NP_000316 . "pituitary homeobox 2 isoform c [Homo sapiens]" . . . . . 88.24 324 98.33 98.33 1.08e-31 . . . . 17145 1 23 no REF NP_001017227 . "pituitary homeobox 2 [Xenopus (Silurana) tropicalis]" . . . . . 88.24 345 98.33 98.33 2.23e-32 . . . . 17145 1 24 no REF NP_001035436 . "pituitary homeobox 1 [Danio rerio]" . . . . . 88.24 285 98.33 98.33 4.73e-33 . . . . 17145 1 25 no REF NP_001035967 . "pituitary homeobox 2 isoform c [Mus musculus]" . . . . . 88.24 324 98.33 98.33 5.31e-32 . . . . 17145 1 26 no REF NP_001035969 . "pituitary homeobox 2 isoform a [Mus musculus]" . . . . . 88.24 271 98.33 98.33 3.44e-31 . . . . 17145 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 98.33 98.33 2.87e-36 . . . . 17145 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 98.33 98.33 9.57e-36 . . . . 17145 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 98.33 98.33 1.15e-31 . . . . 17145 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 98.33 98.33 2.87e-36 . . . . 17145 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 98.33 98.33 5.66e-31 . . . . 17145 1 32 no TPG DAA14908 . "TPA: paired-like homeodomain 3-like [Bos taurus]" . . . . . 88.24 302 98.33 98.33 3.62e-36 . . . . 17145 1 33 no TPG DAA28868 . "TPA: paired-like homeodomain 2 [Bos taurus]" . . . . . 88.24 325 98.33 98.33 9.54e-32 . . . . 17145 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 . 17145 1 2 0 SER . 17145 1 3 1 GLN . 17145 1 4 2 ARG . 17145 1 5 3 ARG . 17145 1 6 4 GLN . 17145 1 7 5 ARG . 17145 1 8 6 THR . 17145 1 9 7 HIS . 17145 1 10 8 PHE . 17145 1 11 9 THR . 17145 1 12 10 SER . 17145 1 13 11 GLN . 17145 1 14 12 GLN . 17145 1 15 13 LEU . 17145 1 16 14 GLN . 17145 1 17 15 GLU . 17145 1 18 16 LEU . 17145 1 19 17 GLU . 17145 1 20 18 ALA . 17145 1 21 19 THR . 17145 1 22 20 PHE . 17145 1 23 21 GLN . 17145 1 24 22 ARG . 17145 1 25 23 ASN . 17145 1 26 24 HIS . 17145 1 27 25 TYR . 17145 1 28 26 PRO . 17145 1 29 27 ASP . 17145 1 30 28 MET . 17145 1 31 29 SER . 17145 1 32 30 THR . 17145 1 33 31 ARG . 17145 1 34 32 GLU . 17145 1 35 33 GLU . 17145 1 36 34 ILE . 17145 1 37 35 ALA . 17145 1 38 36 VAL . 17145 1 39 37 TRP . 17145 1 40 38 THR . 17145 1 41 39 ASN . 17145 1 42 40 LEU . 17145 1 43 41 THR . 17145 1 44 42 GLU . 17145 1 45 43 ALA . 17145 1 46 44 ARG . 17145 1 47 45 VAL . 17145 1 48 46 ARG . 17145 1 49 47 VAL . 17145 1 50 48 TRP . 17145 1 51 49 PHE . 17145 1 52 50 LYS . 17145 1 53 51 ASN . 17145 1 54 52 ARG . 17145 1 55 53 ARG . 17145 1 56 54 ALA . 17145 1 57 55 LYS . 17145 1 58 56 TRP . 17145 1 59 57 ARG . 17145 1 60 58 LYS . 17145 1 61 59 ARG . 17145 1 62 60 GLU . 17145 1 63 61 GLU . 17145 1 64 62 PHE . 17145 1 65 63 ILE . 17145 1 66 64 VAL . 17145 1 67 65 THR . 17145 1 68 66 ASP . 17145 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 17145 1 . SER 2 2 17145 1 . GLN 3 3 17145 1 . ARG 4 4 17145 1 . ARG 5 5 17145 1 . GLN 6 6 17145 1 . ARG 7 7 17145 1 . THR 8 8 17145 1 . HIS 9 9 17145 1 . PHE 10 10 17145 1 . THR 11 11 17145 1 . SER 12 12 17145 1 . GLN 13 13 17145 1 . GLN 14 14 17145 1 . LEU 15 15 17145 1 . GLN 16 16 17145 1 . GLU 17 17 17145 1 . LEU 18 18 17145 1 . GLU 19 19 17145 1 . ALA 20 20 17145 1 . THR 21 21 17145 1 . PHE 22 22 17145 1 . GLN 23 23 17145 1 . ARG 24 24 17145 1 . ASN 25 25 17145 1 . HIS 26 26 17145 1 . TYR 27 27 17145 1 . PRO 28 28 17145 1 . ASP 29 29 17145 1 . MET 30 30 17145 1 . SER 31 31 17145 1 . THR 32 32 17145 1 . ARG 33 33 17145 1 . GLU 34 34 17145 1 . GLU 35 35 17145 1 . ILE 36 36 17145 1 . ALA 37 37 17145 1 . VAL 38 38 17145 1 . TRP 39 39 17145 1 . THR 40 40 17145 1 . ASN 41 41 17145 1 . LEU 42 42 17145 1 . THR 43 43 17145 1 . GLU 44 44 17145 1 . ALA 45 45 17145 1 . ARG 46 46 17145 1 . VAL 47 47 17145 1 . ARG 48 48 17145 1 . VAL 49 49 17145 1 . TRP 50 50 17145 1 . PHE 51 51 17145 1 . LYS 52 52 17145 1 . ASN 53 53 17145 1 . ARG 54 54 17145 1 . ARG 55 55 17145 1 . ALA 56 56 17145 1 . LYS 57 57 17145 1 . TRP 58 58 17145 1 . ARG 59 59 17145 1 . LYS 60 60 17145 1 . ARG 61 61 17145 1 . GLU 62 62 17145 1 . GLU 63 63 17145 1 . PHE 64 64 17145 1 . ILE 65 65 17145 1 . VAL 66 66 17145 1 . THR 67 67 17145 1 . ASP 68 68 17145 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 17145 _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_R24H . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17145 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 17145 _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_R24H . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pet28 . . . . . . 17145 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17145 _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 R24H' '[U-98% 13C; U-98% 15N]' . . 1 $Pitx2_homeodomain_R24H . . 1.5 . . mM . . . . 17145 1 2 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 17145 1 3 'sodium sulfate' 'natural abundance' . . . . . . 150 . . mM . . . . 17145 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17145 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17145 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 17145 _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 17145 1 pH 7.0 . pH 17145 1 pressure 1 . atm 17145 1 temperature 295 . K 17145 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17145 _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' . . 17145 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17145 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 17145 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _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 17145 _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 17145 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details Cryoprobe _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 17145 _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 Cryoprobe . . 17145 1 2 spectrometer_2 Varian INOVA . 600 . . . 17145 1 3 spectrometer_3 Varian INOVA . 500 Cryoprobe . . 17145 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 17145 _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 . . . . . . . . . . . . . . . . . . . . . 17145 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17145 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17145 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17145 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17145 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17145 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17145 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17145 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17145 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17145 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 17145 _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 . . . . . . . . . 17145 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17145 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17145 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 17145 _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' . . . 17145 1 2 '2D 1H-13C HSQC' . . . 17145 1 3 '3D HNCACB' . . . 17145 1 4 '3D HNCA' . . . 17145 1 5 '3D CBCA(CO)NH' . . . 17145 1 6 '3D HNCO' . . . 17145 1 7 '3D HBHA(CO)NH' . . . 17145 1 8 '3D H(CCO)NH' . . . 17145 1 9 '3D HCCH-TOCSY' . . . 17145 1 10 '3D 1H-15N NOESY' . . . 17145 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 4.4660 0.02 . 1 . . . . 0 SER HA . 17145 1 2 . 1 1 2 2 SER HB2 H 1 3.8230 0.02 . 2 . . . . 0 SER HB1 . 17145 1 3 . 1 1 2 2 SER HB3 H 1 3.8520 0.02 . 2 . . . . 0 SER HB2 . 17145 1 4 . 1 1 2 2 SER C C 13 174.6870 0.2 . 1 . . . . 0 SER C . 17145 1 5 . 1 1 2 2 SER CA C 13 58.4500 0.2 . 1 . . . . 0 SER CA . 17145 1 6 . 1 1 2 2 SER CB C 13 63.8220 0.2 . 1 . . . . 0 SER CB . 17145 1 7 . 1 1 3 3 GLN H H 1 8.6360 0.02 . 1 . . . . 1 GLN HN . 17145 1 8 . 1 1 3 3 GLN HA H 1 4.2880 0.02 . 1 . . . . 1 GLN HA . 17145 1 9 . 1 1 3 3 GLN HB2 H 1 1.9590 0.02 . 2 . . . . 1 GLN HB1 . 17145 1 10 . 1 1 3 3 GLN HB3 H 1 2.0630 0.02 . 2 . . . . 1 GLN HB2 . 17145 1 11 . 1 1 3 3 GLN HE21 H 1 6.8520 0.02 . 2 . . . . 1 GLN HE21 . 17145 1 12 . 1 1 3 3 GLN HE22 H 1 7.5600 0.02 . 2 . . . . 1 GLN HE22 . 17145 1 13 . 1 1 3 3 GLN HG2 H 1 2.3390 0.02 . 2 . . . . 1 GLN HG2 . 17145 1 14 . 1 1 3 3 GLN C C 13 176.0650 0.2 . 1 . . . . 1 GLN C . 17145 1 15 . 1 1 3 3 GLN CA C 13 55.9820 0.2 . 1 . . . . 1 GLN CA . 17145 1 16 . 1 1 3 3 GLN CB C 13 29.2550 0.2 . 1 . . . . 1 GLN CB . 17145 1 17 . 1 1 3 3 GLN CG C 13 33.8140 0.2 . 1 . . . . 1 GLN CG . 17145 1 18 . 1 1 3 3 GLN N N 15 122.5280 0.2 . 1 . . . . 1 GLN N . 17145 1 19 . 1 1 3 3 GLN NE2 N 15 112.8050 0.2 . 1 . . . . 1 GLN NE2 . 17145 1 20 . 1 1 4 4 ARG H H 1 8.4360 0.02 . 1 . . . . 2 ARG HN . 17145 1 21 . 1 1 4 4 ARG HB2 H 1 1.7330 0.02 . 2 . . . . 2 ARG HB1 . 17145 1 22 . 1 1 4 4 ARG HB3 H 1 1.7820 0.02 . 2 . . . . 2 ARG HB2 . 17145 1 23 . 1 1 4 4 ARG HD2 H 1 3.1610 0.02 . 2 . . . . 2 ARG HD2 . 17145 1 24 . 1 1 4 4 ARG HG2 H 1 1.6030 0.02 . 2 . . . . 2 ARG HG2 . 17145 1 25 . 1 1 4 4 ARG C C 13 176.4570 0.2 . 1 . . . . 2 ARG C . 17145 1 26 . 1 1 4 4 ARG CA C 13 56.1980 0.2 . 1 . . . . 2 ARG CA . 17145 1 27 . 1 1 4 4 ARG CB C 13 30.6340 0.2 . 1 . . . . 2 ARG CB . 17145 1 28 . 1 1 4 4 ARG CD C 13 43.2280 0.2 . 1 . . . . 2 ARG CD . 17145 1 29 . 1 1 4 4 ARG CG C 13 27.0210 0.2 . 1 . . . . 2 ARG CG . 17145 1 30 . 1 1 4 4 ARG N N 15 122.6160 0.2 . 1 . . . . 2 ARG N . 17145 1 31 . 1 1 5 5 ARG H H 1 8.4350 0.02 . 1 . . . . 3 ARG HN . 17145 1 32 . 1 1 5 5 ARG HA H 1 4.2490 0.02 . 1 . . . . 3 ARG HA . 17145 1 33 . 1 1 5 5 ARG HB2 H 1 1.7490 0.02 . 2 . . . . 3 ARG HB2 . 17145 1 34 . 1 1 5 5 ARG HD2 H 1 3.1460 0.02 . 2 . . . . 3 ARG HD2 . 17145 1 35 . 1 1 5 5 ARG HG2 H 1 1.5850 0.02 . 2 . . . . 3 ARG HG2 . 17145 1 36 . 1 1 5 5 ARG C C 13 176.3220 0.2 . 1 . . . . 3 ARG C . 17145 1 37 . 1 1 5 5 ARG CA C 13 56.2220 0.2 . 1 . . . . 3 ARG CA . 17145 1 38 . 1 1 5 5 ARG CB C 13 30.6990 0.2 . 1 . . . . 3 ARG CB . 17145 1 39 . 1 1 5 5 ARG CD C 13 43.2330 0.2 . 1 . . . . 3 ARG CD . 17145 1 40 . 1 1 5 5 ARG CG C 13 27.1020 0.2 . 1 . . . . 3 ARG CG . 17145 1 41 . 1 1 5 5 ARG N N 15 122.4600 0.2 . 1 . . . . 3 ARG N . 17145 1 42 . 1 1 6 6 GLN H H 1 8.4810 0.02 . 1 . . . . 4 GLN HN . 17145 1 43 . 1 1 6 6 GLN HA H 1 4.2670 0.02 . 1 . . . . 4 GLN HA . 17145 1 44 . 1 1 6 6 GLN HB2 H 1 2.0490 0.02 . 2 . . . . 4 GLN HB1 . 17145 1 45 . 1 1 6 6 GLN HB3 H 1 1.9370 0.02 . 2 . . . . 4 GLN HB2 . 17145 1 46 . 1 1 6 6 GLN HE21 H 1 7.5580 0.02 . 2 . . . . 4 GLN HE21 . 17145 1 47 . 1 1 6 6 GLN HE22 H 1 6.8420 0.02 . 2 . . . . 4 GLN HE22 . 17145 1 48 . 1 1 6 6 GLN HG2 H 1 2.3190 0.02 . 2 . . . . 4 GLN HG2 . 17145 1 49 . 1 1 6 6 GLN C C 13 175.9950 0.2 . 1 . . . . 4 GLN C . 17145 1 50 . 1 1 6 6 GLN CA C 13 55.9000 0.2 . 1 . . . . 4 GLN CA . 17145 1 51 . 1 1 6 6 GLN CB C 13 29.3690 0.2 . 1 . . . . 4 GLN CB . 17145 1 52 . 1 1 6 6 GLN CG C 13 33.8450 0.2 . 1 . . . . 4 GLN CG . 17145 1 53 . 1 1 6 6 GLN N N 15 121.9540 0.2 . 1 . . . . 4 GLN N . 17145 1 54 . 1 1 6 6 GLN NE2 N 15 112.7630 0.2 . 1 . . . . 4 GLN NE2 . 17145 1 55 . 1 1 7 7 ARG H H 1 8.4880 0.02 . 1 . . . . 5 ARG HN . 17145 1 56 . 1 1 7 7 ARG HA H 1 4.3320 0.02 . 1 . . . . 5 ARG HA . 17145 1 57 . 1 1 7 7 ARG HB2 H 1 1.7910 0.02 . 2 . . . . 5 ARG HB2 . 17145 1 58 . 1 1 7 7 ARG HD2 H 1 3.1410 0.02 . 2 . . . . 5 ARG HD2 . 17145 1 59 . 1 1 7 7 ARG HG2 H 1 1.5710 0.02 . 2 . . . . 5 ARG HG2 . 17145 1 60 . 1 1 7 7 ARG C C 13 176.3250 0.2 . 1 . . . . 5 ARG C . 17145 1 61 . 1 1 7 7 ARG CA C 13 56.2070 0.2 . 1 . . . . 5 ARG CA . 17145 1 62 . 1 1 7 7 ARG CB C 13 30.9000 0.2 . 1 . . . . 5 ARG CB . 17145 1 63 . 1 1 7 7 ARG CD C 13 43.1950 0.2 . 1 . . . . 5 ARG CD . 17145 1 64 . 1 1 7 7 ARG CG C 13 27.1670 0.2 . 1 . . . . 5 ARG CG . 17145 1 65 . 1 1 7 7 ARG N N 15 122.7330 0.2 . 1 . . . . 5 ARG N . 17145 1 66 . 1 1 8 8 THR H H 1 8.2230 0.02 . 1 . . . . 6 THR HN . 17145 1 67 . 1 1 8 8 THR HA H 1 4.1630 0.02 . 1 . . . . 6 THR HA . 17145 1 68 . 1 1 8 8 THR HB H 1 4.0090 0.02 . 1 . . . . 6 THR HB . 17145 1 69 . 1 1 8 8 THR HG21 H 1 1.0140 0.02 . 1 . . . . 6 THR HG21 . 17145 1 70 . 1 1 8 8 THR HG22 H 1 1.0140 0.02 . 1 . . . . 6 THR HG21 . 17145 1 71 . 1 1 8 8 THR HG23 H 1 1.0140 0.02 . 1 . . . . 6 THR HG21 . 17145 1 72 . 1 1 8 8 THR C C 13 173.9220 0.2 . 1 . . . . 6 THR C . 17145 1 73 . 1 1 8 8 THR CA C 13 61.8990 0.2 . 1 . . . . 6 THR CA . 17145 1 74 . 1 1 8 8 THR CB C 13 69.6560 0.2 . 1 . . . . 6 THR CB . 17145 1 75 . 1 1 8 8 THR CG2 C 13 21.5740 0.2 . 1 . . . . 6 THR CG2 . 17145 1 76 . 1 1 8 8 THR N N 15 115.2830 0.2 . 1 . . . . 6 THR N . 17145 1 77 . 1 1 9 9 HIS H H 1 8.2390 0.02 . 1 . . . . 7 HIS HN . 17145 1 78 . 1 1 9 9 HIS HA H 1 4.5850 0.02 . 1 . . . . 7 HIS HA . 17145 1 79 . 1 1 9 9 HIS HB2 H 1 2.8980 0.02 . 2 . . . . 7 HIS HB1 . 17145 1 80 . 1 1 9 9 HIS HB3 H 1 2.9980 0.02 . 2 . . . . 7 HIS HB2 . 17145 1 81 . 1 1 9 9 HIS HD2 H 1 6.9510 0.02 . 1 . . . . 7 HIS HD2 . 17145 1 82 . 1 1 9 9 HIS HE1 H 1 7.9250 0.02 . 1 . . . . 7 HIS HE1 . 17145 1 83 . 1 1 9 9 HIS C C 13 174.6780 0.2 . 1 . . . . 7 HIS C . 17145 1 84 . 1 1 9 9 HIS CA C 13 55.8410 0.2 . 1 . . . . 7 HIS CA . 17145 1 85 . 1 1 9 9 HIS CB C 13 31.0500 0.2 . 1 . . . . 7 HIS CB . 17145 1 86 . 1 1 9 9 HIS CD2 C 13 119.8960 0.2 . 1 . . . . 7 HIS CD2 . 17145 1 87 . 1 1 9 9 HIS CE1 C 13 137.9710 0.2 . 1 . . . . 7 HIS CE1 . 17145 1 88 . 1 1 9 9 HIS N N 15 122.3890 0.2 . 1 . . . . 7 HIS N . 17145 1 89 . 1 1 10 10 PHE H H 1 8.2230 0.02 . 1 . . . . 8 PHE HN . 17145 1 90 . 1 1 10 10 PHE HA H 1 4.9080 0.02 . 1 . . . . 8 PHE HA . 17145 1 91 . 1 1 10 10 PHE HB2 H 1 2.7260 0.02 . 2 . . . . 8 PHE HB1 . 17145 1 92 . 1 1 10 10 PHE HB3 H 1 3.1110 0.02 . 2 . . . . 8 PHE HB2 . 17145 1 93 . 1 1 10 10 PHE HD1 H 1 7.1610 0.02 . 3 . . . . 8 PHE HD1 . 17145 1 94 . 1 1 10 10 PHE HD2 H 1 7.1610 0.02 . 3 . . . . 8 PHE HD2 . 17145 1 95 . 1 1 10 10 PHE HE1 H 1 7.2390 0.02 . 3 . . . . 8 PHE HE1 . 17145 1 96 . 1 1 10 10 PHE HE2 H 1 7.2390 0.02 . 3 . . . . 8 PHE HE2 . 17145 1 97 . 1 1 10 10 PHE HZ H 1 7.3760 0.02 . 1 . . . . 8 PHE HZ . 17145 1 98 . 1 1 10 10 PHE C C 13 176.4740 0.2 . 1 . . . . 8 PHE C . 17145 1 99 . 1 1 10 10 PHE CA C 13 57.0240 0.2 . 1 . . . . 8 PHE CA . 17145 1 100 . 1 1 10 10 PHE CB C 13 41.4860 0.2 . 1 . . . . 8 PHE CB . 17145 1 101 . 1 1 10 10 PHE CD1 C 13 131.5690 0.2 . 1 . . . . 8 PHE CD1 . 17145 1 102 . 1 1 10 10 PHE CD2 C 13 131.5690 0.2 . 1 . . . . 8 PHE CD2 . 17145 1 103 . 1 1 10 10 PHE CE1 C 13 131.3740 0.2 . 1 . . . . 8 PHE CE1 . 17145 1 104 . 1 1 10 10 PHE CE2 C 13 131.3740 0.2 . 1 . . . . 8 PHE CE2 . 17145 1 105 . 1 1 10 10 PHE CZ C 13 129.1800 0.2 . 1 . . . . 8 PHE CZ . 17145 1 106 . 1 1 10 10 PHE N N 15 121.1080 0.2 . 1 . . . . 8 PHE N . 17145 1 107 . 1 1 11 11 THR H H 1 9.0440 0.02 . 1 . . . . 9 THR HN . 17145 1 108 . 1 1 11 11 THR HA H 1 4.4950 0.02 . 1 . . . . 9 THR HA . 17145 1 109 . 1 1 11 11 THR HB H 1 4.7920 0.02 . 1 . . . . 9 THR HB . 17145 1 110 . 1 1 11 11 THR HG21 H 1 1.2890 0.02 . 1 . . . . 9 THR HG21 . 17145 1 111 . 1 1 11 11 THR HG22 H 1 1.2890 0.02 . 1 . . . . 9 THR HG21 . 17145 1 112 . 1 1 11 11 THR HG23 H 1 1.2890 0.02 . 1 . . . . 9 THR HG21 . 17145 1 113 . 1 1 11 11 THR C C 13 175.5050 0.2 . 1 . . . . 9 THR C . 17145 1 114 . 1 1 11 11 THR CA C 13 60.5040 0.2 . 1 . . . . 9 THR CA . 17145 1 115 . 1 1 11 11 THR CB C 13 70.8840 0.2 . 1 . . . . 9 THR CB . 17145 1 116 . 1 1 11 11 THR CG2 C 13 21.6950 0.2 . 1 . . . . 9 THR CG2 . 17145 1 117 . 1 1 11 11 THR N N 15 113.2990 0.2 . 1 . . . . 9 THR N . 17145 1 118 . 1 1 12 12 SER H H 1 9.1450 0.02 . 1 . . . . 10 SER HN . 17145 1 119 . 1 1 12 12 SER HA H 1 4.1120 0.02 . 1 . . . . 10 SER HA . 17145 1 120 . 1 1 12 12 SER HB2 H 1 3.9240 0.02 . 2 . . . . 10 SER HB2 . 17145 1 121 . 1 1 12 12 SER C C 13 177.1710 0.2 . 1 . . . . 10 SER C . 17145 1 122 . 1 1 12 12 SER CA C 13 62.1870 0.2 . 1 . . . . 10 SER CA . 17145 1 123 . 1 1 12 12 SER CB C 13 62.2800 0.2 . 1 . . . . 10 SER CB . 17145 1 124 . 1 1 12 12 SER N N 15 116.6950 0.2 . 1 . . . . 10 SER N . 17145 1 125 . 1 1 13 13 GLN H H 1 8.3860 0.02 . 1 . . . . 11 GLN HN . 17145 1 126 . 1 1 13 13 GLN HA H 1 3.9930 0.02 . 1 . . . . 11 GLN HA . 17145 1 127 . 1 1 13 13 GLN HB2 H 1 2.0900 0.02 . 2 . . . . 11 GLN HB1 . 17145 1 128 . 1 1 13 13 GLN HB3 H 1 1.9090 0.02 . 2 . . . . 11 GLN HB2 . 17145 1 129 . 1 1 13 13 GLN HE21 H 1 7.6510 0.02 . 2 . . . . 11 GLN HE21 . 17145 1 130 . 1 1 13 13 GLN HE22 H 1 6.7390 0.02 . 2 . . . . 11 GLN HE22 . 17145 1 131 . 1 1 13 13 GLN HG2 H 1 2.3810 0.02 . 2 . . . . 11 GLN HG2 . 17145 1 132 . 1 1 13 13 GLN C C 13 178.6800 0.2 . 1 . . . . 11 GLN C . 17145 1 133 . 1 1 13 13 GLN CA C 13 59.4700 0.2 . 1 . . . . 11 GLN CA . 17145 1 134 . 1 1 13 13 GLN CB C 13 27.9310 0.2 . 1 . . . . 11 GLN CB . 17145 1 135 . 1 1 13 13 GLN CG C 13 33.6560 0.2 . 1 . . . . 11 GLN CG . 17145 1 136 . 1 1 13 13 GLN N N 15 121.0600 0.2 . 1 . . . . 11 GLN N . 17145 1 137 . 1 1 13 13 GLN NE2 N 15 112.0950 0.2 . 1 . . . . 11 GLN NE2 . 17145 1 138 . 1 1 14 14 GLN H H 1 7.7410 0.02 . 1 . . . . 12 GLN HN . 17145 1 139 . 1 1 14 14 GLN HA H 1 3.8120 0.02 . 1 . . . . 12 GLN HA . 17145 1 140 . 1 1 14 14 GLN HB2 H 1 1.5480 0.02 . 2 . . . . 12 GLN HB1 . 17145 1 141 . 1 1 14 14 GLN HB3 H 1 2.5820 0.02 . 2 . . . . 12 GLN HB2 . 17145 1 142 . 1 1 14 14 GLN HE21 H 1 7.7920 0.02 . 2 . . . . 12 GLN HE21 . 17145 1 143 . 1 1 14 14 GLN HE22 H 1 6.6160 0.02 . 2 . . . . 12 GLN HE22 . 17145 1 144 . 1 1 14 14 GLN HG2 H 1 2.5790 0.02 . 2 . . . . 12 GLN HG2 . 17145 1 145 . 1 1 14 14 GLN C C 13 177.8340 0.2 . 1 . . . . 12 GLN C . 17145 1 146 . 1 1 14 14 GLN CA C 13 59.3020 0.2 . 1 . . . . 12 GLN CA . 17145 1 147 . 1 1 14 14 GLN CB C 13 28.0770 0.2 . 1 . . . . 12 GLN CB . 17145 1 148 . 1 1 14 14 GLN CG C 13 34.8910 0.2 . 1 . . . . 12 GLN CG . 17145 1 149 . 1 1 14 14 GLN N N 15 119.0070 0.2 . 1 . . . . 12 GLN N . 17145 1 150 . 1 1 14 14 GLN NE2 N 15 110.5790 0.2 . 1 . . . . 12 GLN NE2 . 17145 1 151 . 1 1 15 15 LEU H H 1 8.2020 0.02 . 1 . . . . 13 LEU HN . 17145 1 152 . 1 1 15 15 LEU HA H 1 3.5670 0.02 . 1 . . . . 13 LEU HA . 17145 1 153 . 1 1 15 15 LEU HB2 H 1 1.4980 0.02 . 2 . . . . 13 LEU HB1 . 17145 1 154 . 1 1 15 15 LEU HB3 H 1 1.7860 0.02 . 2 . . . . 13 LEU HB2 . 17145 1 155 . 1 1 15 15 LEU HD11 H 1 0.8890 0.02 . 2 . . . . 13 LEU HD11 . 17145 1 156 . 1 1 15 15 LEU HD12 H 1 0.8890 0.02 . 2 . . . . 13 LEU HD11 . 17145 1 157 . 1 1 15 15 LEU HD13 H 1 0.8890 0.02 . 2 . . . . 13 LEU HD11 . 17145 1 158 . 1 1 15 15 LEU HD21 H 1 0.7090 0.02 . 2 . . . . 13 LEU HD21 . 17145 1 159 . 1 1 15 15 LEU HD22 H 1 0.7090 0.02 . 2 . . . . 13 LEU HD21 . 17145 1 160 . 1 1 15 15 LEU HD23 H 1 0.7090 0.02 . 2 . . . . 13 LEU HD21 . 17145 1 161 . 1 1 15 15 LEU HG H 1 1.6530 0.02 . 1 . . . . 13 LEU HG . 17145 1 162 . 1 1 15 15 LEU C C 13 179.0810 0.2 . 1 . . . . 13 LEU C . 17145 1 163 . 1 1 15 15 LEU CA C 13 58.0390 0.2 . 1 . . . . 13 LEU CA . 17145 1 164 . 1 1 15 15 LEU CB C 13 41.5690 0.2 . 1 . . . . 13 LEU CB . 17145 1 165 . 1 1 15 15 LEU CD1 C 13 25.1970 0.2 . 2 . . . . 13 LEU CD1 . 17145 1 166 . 1 1 15 15 LEU CD2 C 13 23.2810 0.2 . 2 . . . . 13 LEU CD2 . 17145 1 167 . 1 1 15 15 LEU CG C 13 26.8080 0.2 . 1 . . . . 13 LEU CG . 17145 1 168 . 1 1 15 15 LEU N N 15 117.1240 0.2 . 1 . . . . 13 LEU N . 17145 1 169 . 1 1 16 16 GLN H H 1 8.0250 0.02 . 1 . . . . 14 GLN HN . 17145 1 170 . 1 1 16 16 GLN HA H 1 3.9940 0.02 . 1 . . . . 14 GLN HA . 17145 1 171 . 1 1 16 16 GLN HB2 H 1 2.1030 0.02 . 2 . . . . 14 GLN HB1 . 17145 1 172 . 1 1 16 16 GLN HB3 H 1 2.1620 0.02 . 2 . . . . 14 GLN HB2 . 17145 1 173 . 1 1 16 16 GLN HE21 H 1 6.8070 0.02 . 2 . . . . 14 GLN HE21 . 17145 1 174 . 1 1 16 16 GLN HE22 H 1 7.4090 0.02 . 2 . . . . 14 GLN HE22 . 17145 1 175 . 1 1 16 16 GLN HG2 H 1 2.3430 0.02 . 2 . . . . 14 GLN HG1 . 17145 1 176 . 1 1 16 16 GLN HG3 H 1 2.4560 0.02 . 2 . . . . 14 GLN HG2 . 17145 1 177 . 1 1 16 16 GLN C C 13 179.0690 0.2 . 1 . . . . 14 GLN C . 17145 1 178 . 1 1 16 16 GLN CA C 13 59.2610 0.2 . 1 . . . . 14 GLN CA . 17145 1 179 . 1 1 16 16 GLN CB C 13 28.5170 0.2 . 1 . . . . 14 GLN CB . 17145 1 180 . 1 1 16 16 GLN CG C 13 34.0010 0.2 . 1 . . . . 14 GLN CG . 17145 1 181 . 1 1 16 16 GLN N N 15 118.2040 0.2 . 1 . . . . 14 GLN N . 17145 1 182 . 1 1 16 16 GLN NE2 N 15 111.6550 0.2 . 1 . . . . 14 GLN NE2 . 17145 1 183 . 1 1 17 17 GLU H H 1 7.6910 0.02 . 1 . . . . 15 GLU HN . 17145 1 184 . 1 1 17 17 GLU HA H 1 4.1370 0.02 . 1 . . . . 15 GLU HA . 17145 1 185 . 1 1 17 17 GLU HB2 H 1 1.8090 0.02 . 2 . . . . 15 GLU HB1 . 17145 1 186 . 1 1 17 17 GLU HB3 H 1 1.9770 0.02 . 2 . . . . 15 GLU HB2 . 17145 1 187 . 1 1 17 17 GLU HG2 H 1 2.2040 0.02 . 2 . . . . 15 GLU HG1 . 17145 1 188 . 1 1 17 17 GLU HG3 H 1 2.2530 0.02 . 2 . . . . 15 GLU HG2 . 17145 1 189 . 1 1 17 17 GLU C C 13 179.9310 0.2 . 1 . . . . 15 GLU C . 17145 1 190 . 1 1 17 17 GLU CA C 13 58.6230 0.2 . 1 . . . . 15 GLU CA . 17145 1 191 . 1 1 17 17 GLU CB C 13 29.5370 0.2 . 1 . . . . 15 GLU CB . 17145 1 192 . 1 1 17 17 GLU CG C 13 35.7000 0.2 . 1 . . . . 15 GLU CG . 17145 1 193 . 1 1 17 17 GLU N N 15 120.1040 0.2 . 1 . . . . 15 GLU N . 17145 1 194 . 1 1 18 18 LEU H H 1 8.3850 0.02 . 1 . . . . 16 LEU HN . 17145 1 195 . 1 1 18 18 LEU HA H 1 3.5080 0.02 . 1 . . . . 16 LEU HA . 17145 1 196 . 1 1 18 18 LEU HB2 H 1 -1.0880 0.02 . 2 . . . . 16 LEU HB1 . 17145 1 197 . 1 1 18 18 LEU HB3 H 1 0.5100 0.02 . 2 . . . . 16 LEU HB2 . 17145 1 198 . 1 1 18 18 LEU HD11 H 1 -0.6840 0.02 . 2 . . . . 16 LEU HD11 . 17145 1 199 . 1 1 18 18 LEU HD12 H 1 -0.6840 0.02 . 2 . . . . 16 LEU HD11 . 17145 1 200 . 1 1 18 18 LEU HD13 H 1 -0.6840 0.02 . 2 . . . . 16 LEU HD11 . 17145 1 201 . 1 1 18 18 LEU HD21 H 1 0.3600 0.02 . 2 . . . . 16 LEU HD21 . 17145 1 202 . 1 1 18 18 LEU HD22 H 1 0.3600 0.02 . 2 . . . . 16 LEU HD21 . 17145 1 203 . 1 1 18 18 LEU HD23 H 1 0.3600 0.02 . 2 . . . . 16 LEU HD21 . 17145 1 204 . 1 1 18 18 LEU HG H 1 1.1370 0.02 . 1 . . . . 16 LEU HG . 17145 1 205 . 1 1 18 18 LEU C C 13 178.0470 0.2 . 1 . . . . 16 LEU C . 17145 1 206 . 1 1 18 18 LEU CA C 13 58.3750 0.2 . 1 . . . . 16 LEU CA . 17145 1 207 . 1 1 18 18 LEU CB C 13 38.1080 0.2 . 1 . . . . 16 LEU CB . 17145 1 208 . 1 1 18 18 LEU CD1 C 13 23.6020 0.2 . 2 . . . . 16 LEU CD1 . 17145 1 209 . 1 1 18 18 LEU CD2 C 13 22.4720 0.2 . 2 . . . . 16 LEU CD2 . 17145 1 210 . 1 1 18 18 LEU CG C 13 26.1220 0.2 . 1 . . . . 16 LEU CG . 17145 1 211 . 1 1 18 18 LEU N N 15 123.1920 0.2 . 1 . . . . 16 LEU N . 17145 1 212 . 1 1 19 19 GLU H H 1 8.0340 0.02 . 1 . . . . 17 GLU HN . 17145 1 213 . 1 1 19 19 GLU HA H 1 4.4250 0.02 . 1 . . . . 17 GLU HA . 17145 1 214 . 1 1 19 19 GLU HB2 H 1 1.9180 0.02 . 2 . . . . 17 GLU HB1 . 17145 1 215 . 1 1 19 19 GLU HB3 H 1 2.1480 0.02 . 2 . . . . 17 GLU HB2 . 17145 1 216 . 1 1 19 19 GLU HG2 H 1 2.4830 0.02 . 2 . . . . 17 GLU HG1 . 17145 1 217 . 1 1 19 19 GLU HG3 H 1 2.2910 0.02 . 2 . . . . 17 GLU HG2 . 17145 1 218 . 1 1 19 19 GLU C C 13 178.8660 0.2 . 1 . . . . 17 GLU C . 17145 1 219 . 1 1 19 19 GLU CA C 13 58.8270 0.2 . 1 . . . . 17 GLU CA . 17145 1 220 . 1 1 19 19 GLU CB C 13 28.9780 0.2 . 1 . . . . 17 GLU CB . 17145 1 221 . 1 1 19 19 GLU CG C 13 34.2770 0.2 . 1 . . . . 17 GLU CG . 17145 1 222 . 1 1 19 19 GLU N N 15 119.4340 0.2 . 1 . . . . 17 GLU N . 17145 1 223 . 1 1 20 20 ALA H H 1 7.8900 0.02 . 1 . . . . 18 ALA HN . 17145 1 224 . 1 1 20 20 ALA HA H 1 4.1320 0.02 . 1 . . . . 18 ALA HA . 17145 1 225 . 1 1 20 20 ALA HB1 H 1 1.4910 0.02 . 1 . . . . 18 ALA HB1 . 17145 1 226 . 1 1 20 20 ALA HB2 H 1 1.4910 0.02 . 1 . . . . 18 ALA HB1 . 17145 1 227 . 1 1 20 20 ALA HB3 H 1 1.4910 0.02 . 1 . . . . 18 ALA HB1 . 17145 1 228 . 1 1 20 20 ALA C C 13 181.3940 0.2 . 1 . . . . 18 ALA C . 17145 1 229 . 1 1 20 20 ALA CA C 13 55.1790 0.2 . 1 . . . . 18 ALA CA . 17145 1 230 . 1 1 20 20 ALA CB C 13 18.0210 0.2 . 1 . . . . 18 ALA CB . 17145 1 231 . 1 1 20 20 ALA N N 15 120.7860 0.2 . 1 . . . . 18 ALA N . 17145 1 232 . 1 1 21 21 THR H H 1 7.9810 0.02 . 1 . . . . 19 THR HN . 17145 1 233 . 1 1 21 21 THR HA H 1 4.0180 0.02 . 1 . . . . 19 THR HA . 17145 1 234 . 1 1 21 21 THR HB H 1 4.5110 0.02 . 1 . . . . 19 THR HB . 17145 1 235 . 1 1 21 21 THR HG21 H 1 1.4160 0.02 . 1 . . . . 19 THR HG21 . 17145 1 236 . 1 1 21 21 THR HG22 H 1 1.4160 0.02 . 1 . . . . 19 THR HG21 . 17145 1 237 . 1 1 21 21 THR HG23 H 1 1.4160 0.02 . 1 . . . . 19 THR HG21 . 17145 1 238 . 1 1 21 21 THR C C 13 176.3620 0.2 . 1 . . . . 19 THR C . 17145 1 239 . 1 1 21 21 THR CA C 13 66.9150 0.2 . 1 . . . . 19 THR CA . 17145 1 240 . 1 1 21 21 THR CB C 13 68.2480 0.2 . 1 . . . . 19 THR CB . 17145 1 241 . 1 1 21 21 THR CG2 C 13 21.8110 0.2 . 1 . . . . 19 THR CG2 . 17145 1 242 . 1 1 21 21 THR N N 15 113.7840 0.2 . 1 . . . . 19 THR N . 17145 1 243 . 1 1 22 22 PHE H H 1 8.9270 0.02 . 1 . . . . 20 PHE HN . 17145 1 244 . 1 1 22 22 PHE HA H 1 4.4740 0.02 . 1 . . . . 20 PHE HA . 17145 1 245 . 1 1 22 22 PHE HB2 H 1 3.3090 0.02 . 2 . . . . 20 PHE HB1 . 17145 1 246 . 1 1 22 22 PHE HB3 H 1 3.1750 0.02 . 2 . . . . 20 PHE HB2 . 17145 1 247 . 1 1 22 22 PHE HD1 H 1 7.1190 0.02 . 3 . . . . 20 PHE HD1 . 17145 1 248 . 1 1 22 22 PHE C C 13 176.2090 0.2 . 1 . . . . 20 PHE C . 17145 1 249 . 1 1 22 22 PHE CA C 13 61.4290 0.2 . 1 . . . . 20 PHE CA . 17145 1 250 . 1 1 22 22 PHE CB C 13 38.6500 0.2 . 1 . . . . 20 PHE CB . 17145 1 251 . 1 1 22 22 PHE N N 15 124.8370 0.2 . 1 . . . . 20 PHE N . 17145 1 252 . 1 1 23 23 GLN H H 1 8.0820 0.02 . 1 . . . . 21 GLN HN . 17145 1 253 . 1 1 23 23 GLN HA H 1 3.7110 0.02 . 1 . . . . 21 GLN HA . 17145 1 254 . 1 1 23 23 GLN HB2 H 1 2.0490 0.02 . 2 . . . . 21 GLN HB1 . 17145 1 255 . 1 1 23 23 GLN HB3 H 1 2.2100 0.02 . 2 . . . . 21 GLN HB2 . 17145 1 256 . 1 1 23 23 GLN HE21 H 1 7.9340 0.02 . 2 . . . . 21 GLN HE21 . 17145 1 257 . 1 1 23 23 GLN HE22 H 1 7.0210 0.02 . 2 . . . . 21 GLN HE22 . 17145 1 258 . 1 1 23 23 GLN HG2 H 1 2.7400 0.02 . 2 . . . . 21 GLN HG1 . 17145 1 259 . 1 1 23 23 GLN HG3 H 1 2.6320 0.02 . 2 . . . . 21 GLN HG2 . 17145 1 260 . 1 1 23 23 GLN C C 13 177.7620 0.2 . 1 . . . . 21 GLN C . 17145 1 261 . 1 1 23 23 GLN CA C 13 57.9310 0.2 . 1 . . . . 21 GLN CA . 17145 1 262 . 1 1 23 23 GLN CB C 13 27.8220 0.2 . 1 . . . . 21 GLN CB . 17145 1 263 . 1 1 23 23 GLN CG C 13 33.5150 0.2 . 1 . . . . 21 GLN CG . 17145 1 264 . 1 1 23 23 GLN N N 15 113.6090 0.2 . 1 . . . . 21 GLN N . 17145 1 265 . 1 1 23 23 GLN NE2 N 15 113.5970 0.2 . 1 . . . . 21 GLN NE2 . 17145 1 266 . 1 1 24 24 ARG H H 1 7.1770 0.02 . 1 . . . . 22 ARG HN . 17145 1 267 . 1 1 24 24 ARG HA H 1 4.1890 0.02 . 1 . . . . 22 ARG HA . 17145 1 268 . 1 1 24 24 ARG HB2 H 1 1.8630 0.02 . 2 . . . . 22 ARG HB1 . 17145 1 269 . 1 1 24 24 ARG HB3 H 1 1.8990 0.02 . 2 . . . . 22 ARG HB2 . 17145 1 270 . 1 1 24 24 ARG HD2 H 1 3.1780 0.02 . 2 . . . . 22 ARG HD2 . 17145 1 271 . 1 1 24 24 ARG HG2 H 1 1.6100 0.02 . 2 . . . . 22 ARG HG1 . 17145 1 272 . 1 1 24 24 ARG HG3 H 1 1.7310 0.02 . 2 . . . . 22 ARG HG2 . 17145 1 273 . 1 1 24 24 ARG C C 13 176.3920 0.2 . 1 . . . . 22 ARG C . 17145 1 274 . 1 1 24 24 ARG CA C 13 57.1690 0.2 . 1 . . . . 22 ARG CA . 17145 1 275 . 1 1 24 24 ARG CB C 13 31.2990 0.2 . 1 . . . . 22 ARG CB . 17145 1 276 . 1 1 24 24 ARG CD C 13 43.3960 0.2 . 1 . . . . 22 ARG CD . 17145 1 277 . 1 1 24 24 ARG CG C 13 27.5640 0.2 . 1 . . . . 22 ARG CG . 17145 1 278 . 1 1 24 24 ARG N N 15 115.8790 0.2 . 1 . . . . 22 ARG N . 17145 1 279 . 1 1 25 25 ASN H H 1 7.8780 0.02 . 1 . . . . 23 ASN HN . 17145 1 280 . 1 1 25 25 ASN HA H 1 4.3450 0.02 . 1 . . . . 23 ASN HA . 17145 1 281 . 1 1 25 25 ASN HB2 H 1 2.6680 0.02 . 2 . . . . 23 ASN HB1 . 17145 1 282 . 1 1 25 25 ASN HB3 H 1 2.7240 0.02 . 2 . . . . 23 ASN HB2 . 17145 1 283 . 1 1 25 25 ASN HD21 H 1 7.5260 0.02 . 2 . . . . 23 ASN HD21 . 17145 1 284 . 1 1 25 25 ASN HD22 H 1 6.5370 0.02 . 2 . . . . 23 ASN HD22 . 17145 1 285 . 1 1 25 25 ASN C C 13 173.2640 0.2 . 1 . . . . 23 ASN C . 17145 1 286 . 1 1 25 25 ASN CA C 13 52.7300 0.2 . 1 . . . . 23 ASN CA . 17145 1 287 . 1 1 25 25 ASN CB C 13 38.4730 0.2 . 1 . . . . 23 ASN CB . 17145 1 288 . 1 1 25 25 ASN N N 15 118.2020 0.2 . 1 . . . . 23 ASN N . 17145 1 289 . 1 1 25 25 ASN ND2 N 15 108.6920 0.2 . 1 . . . . 23 ASN ND2 . 17145 1 290 . 1 1 26 26 HIS H H 1 8.6940 0.02 . 1 . . . . 24 HIS HN . 17145 1 291 . 1 1 26 26 HIS HA H 1 4.1310 0.02 . 1 . . . . 24 HIS HA . 17145 1 292 . 1 1 26 26 HIS HB2 H 1 2.6750 0.02 . 2 . . . . 24 HIS HB1 . 17145 1 293 . 1 1 26 26 HIS HB3 H 1 2.6440 0.02 . 2 . . . . 24 HIS HB2 . 17145 1 294 . 1 1 26 26 HIS HD2 H 1 6.1570 0.02 . 1 . . . . 24 HIS HD2 . 17145 1 295 . 1 1 26 26 HIS HE1 H 1 6.8380 0.02 . 1 . . . . 24 HIS HE1 . 17145 1 296 . 1 1 26 26 HIS C C 13 174.3330 0.2 . 1 . . . . 24 HIS C . 17145 1 297 . 1 1 26 26 HIS CA C 13 55.2460 0.2 . 1 . . . . 24 HIS CA . 17145 1 298 . 1 1 26 26 HIS CB C 13 29.2550 0.2 . 1 . . . . 24 HIS CB . 17145 1 299 . 1 1 26 26 HIS CD2 C 13 119.4210 0.2 . 1 . . . . 24 HIS CD2 . 17145 1 300 . 1 1 26 26 HIS CE1 C 13 137.9800 0.2 . 1 . . . . 24 HIS CE1 . 17145 1 301 . 1 1 26 26 HIS N N 15 119.9350 0.2 . 1 . . . . 24 HIS N . 17145 1 302 . 1 1 27 27 TYR H H 1 7.8860 0.02 . 1 . . . . 25 TYR HN . 17145 1 303 . 1 1 27 27 TYR HA H 1 4.6150 0.02 . 1 . . . . 25 TYR HA . 17145 1 304 . 1 1 27 27 TYR HB2 H 1 2.5660 0.02 . 2 . . . . 25 TYR HB1 . 17145 1 305 . 1 1 27 27 TYR HB3 H 1 3.0910 0.02 . 2 . . . . 25 TYR HB2 . 17145 1 306 . 1 1 27 27 TYR HD1 H 1 7.0300 0.02 . 3 . . . . 25 TYR HD1 . 17145 1 307 . 1 1 27 27 TYR HD2 H 1 7.0300 0.02 . 3 . . . . 25 TYR HD2 . 17145 1 308 . 1 1 27 27 TYR HE1 H 1 6.8850 0.02 . 3 . . . . 25 TYR HE1 . 17145 1 309 . 1 1 27 27 TYR HE2 H 1 6.8850 0.02 . 3 . . . . 25 TYR HE2 . 17145 1 310 . 1 1 27 27 TYR CA C 13 60.5080 0.2 . 1 . . . . 25 TYR CA . 17145 1 311 . 1 1 27 27 TYR CB C 13 39.3690 0.2 . 1 . . . . 25 TYR CB . 17145 1 312 . 1 1 27 27 TYR CD1 C 13 133.3860 0.2 . 1 . . . . 25 TYR CD1 . 17145 1 313 . 1 1 27 27 TYR CD2 C 13 133.3860 0.2 . 1 . . . . 25 TYR CD2 . 17145 1 314 . 1 1 27 27 TYR CE1 C 13 118.2790 0.2 . 1 . . . . 25 TYR CE1 . 17145 1 315 . 1 1 27 27 TYR CE2 C 13 118.2790 0.2 . 1 . . . . 25 TYR CE2 . 17145 1 316 . 1 1 27 27 TYR N N 15 114.1370 0.2 . 1 . . . . 25 TYR N . 17145 1 317 . 1 1 28 28 PRO HA H 1 4.4080 0.02 . 1 . . . . 26 PRO HA . 17145 1 318 . 1 1 28 28 PRO HB2 H 1 1.3370 0.02 . 2 . . . . 26 PRO HB1 . 17145 1 319 . 1 1 28 28 PRO HB3 H 1 1.5460 0.02 . 2 . . . . 26 PRO HB2 . 17145 1 320 . 1 1 28 28 PRO HD2 H 1 2.9540 0.02 . 2 . . . . 26 PRO HD2 . 17145 1 321 . 1 1 28 28 PRO HG2 H 1 -0.0150 0.02 . 2 . . . . 26 PRO HG1 . 17145 1 322 . 1 1 28 28 PRO HG3 H 1 0.9860 0.02 . 2 . . . . 26 PRO HG2 . 17145 1 323 . 1 1 28 28 PRO C C 13 177.4320 0.2 . 1 . . . . 26 PRO C . 17145 1 324 . 1 1 28 28 PRO CA C 13 62.9360 0.2 . 1 . . . . 26 PRO CA . 17145 1 325 . 1 1 28 28 PRO CB C 13 30.9130 0.2 . 1 . . . . 26 PRO CB . 17145 1 326 . 1 1 28 28 PRO CD C 13 50.5150 0.2 . 1 . . . . 26 PRO CD . 17145 1 327 . 1 1 28 28 PRO CG C 13 25.7780 0.2 . 1 . . . . 26 PRO CG . 17145 1 328 . 1 1 29 29 ASP H H 1 8.4230 0.02 . 1 . . . . 27 ASP HN . 17145 1 329 . 1 1 29 29 ASP HA H 1 4.3920 0.02 . 1 . . . . 27 ASP HA . 17145 1 330 . 1 1 29 29 ASP HB2 H 1 3.1910 0.02 . 2 . . . . 27 ASP HB1 . 17145 1 331 . 1 1 29 29 ASP HB3 H 1 2.7900 0.02 . 2 . . . . 27 ASP HB2 . 17145 1 332 . 1 1 29 29 ASP C C 13 175.6070 0.2 . 1 . . . . 27 ASP C . 17145 1 333 . 1 1 29 29 ASP CA C 13 52.6490 0.2 . 1 . . . . 27 ASP CA . 17145 1 334 . 1 1 29 29 ASP CB C 13 40.7340 0.2 . 1 . . . . 27 ASP CB . 17145 1 335 . 1 1 29 29 ASP N N 15 124.7260 0.2 . 1 . . . . 27 ASP N . 17145 1 336 . 1 1 30 30 MET H H 1 8.7070 0.02 . 1 . . . . 28 MET HN . 17145 1 337 . 1 1 30 30 MET HA H 1 3.7750 0.02 . 1 . . . . 28 MET HA . 17145 1 338 . 1 1 30 30 MET HB2 H 1 2.0730 0.02 . 2 . . . . 28 MET HB1 . 17145 1 339 . 1 1 30 30 MET HB3 H 1 2.1040 0.02 . 2 . . . . 28 MET HB2 . 17145 1 340 . 1 1 30 30 MET HE1 H 1 1.9900 0.02 . 1 . . . . 28 MET HE1 . 17145 1 341 . 1 1 30 30 MET HE2 H 1 1.9900 0.02 . 1 . . . . 28 MET HE1 . 17145 1 342 . 1 1 30 30 MET HE3 H 1 1.9900 0.02 . 1 . . . . 28 MET HE1 . 17145 1 343 . 1 1 30 30 MET HG2 H 1 2.3750 0.02 . 2 . . . . 28 MET HG1 . 17145 1 344 . 1 1 30 30 MET HG3 H 1 2.5270 0.02 . 2 . . . . 28 MET HG2 . 17145 1 345 . 1 1 30 30 MET C C 13 177.3730 0.2 . 1 . . . . 28 MET C . 17145 1 346 . 1 1 30 30 MET CA C 13 60.4440 0.2 . 1 . . . . 28 MET CA . 17145 1 347 . 1 1 30 30 MET CB C 13 32.1150 0.2 . 1 . . . . 28 MET CB . 17145 1 348 . 1 1 30 30 MET CE C 13 17.7130 0.2 . 1 . . . . 28 MET CE . 17145 1 349 . 1 1 30 30 MET CG C 13 32.0110 0.2 . 1 . . . . 28 MET CG . 17145 1 350 . 1 1 30 30 MET N N 15 119.5680 0.2 . 1 . . . . 28 MET N . 17145 1 351 . 1 1 31 31 SER H H 1 8.3560 0.02 . 1 . . . . 29 SER HN . 17145 1 352 . 1 1 31 31 SER HA H 1 4.1950 0.02 . 1 . . . . 29 SER HA . 17145 1 353 . 1 1 31 31 SER HB2 H 1 3.8480 0.02 . 2 . . . . 29 SER HB2 . 17145 1 354 . 1 1 31 31 SER C C 13 177.5180 0.2 . 1 . . . . 29 SER C . 17145 1 355 . 1 1 31 31 SER CA C 13 61.7540 0.2 . 1 . . . . 29 SER CA . 17145 1 356 . 1 1 31 31 SER CB C 13 62.4680 0.2 . 1 . . . . 29 SER CB . 17145 1 357 . 1 1 31 31 SER N N 15 113.2030 0.2 . 1 . . . . 29 SER N . 17145 1 358 . 1 1 32 32 THR H H 1 8.2950 0.02 . 1 . . . . 30 THR HN . 17145 1 359 . 1 1 32 32 THR HA H 1 3.9580 0.02 . 1 . . . . 30 THR HA . 17145 1 360 . 1 1 32 32 THR HB H 1 4.0940 0.02 . 1 . . . . 30 THR HB . 17145 1 361 . 1 1 32 32 THR HG21 H 1 1.1490 0.02 . 1 . . . . 30 THR HG21 . 17145 1 362 . 1 1 32 32 THR HG22 H 1 1.1490 0.02 . 1 . . . . 30 THR HG21 . 17145 1 363 . 1 1 32 32 THR HG23 H 1 1.1490 0.02 . 1 . . . . 30 THR HG21 . 17145 1 364 . 1 1 32 32 THR C C 13 176.5030 0.2 . 1 . . . . 30 THR C . 17145 1 365 . 1 1 32 32 THR CA C 13 66.9640 0.2 . 1 . . . . 30 THR CA . 17145 1 366 . 1 1 32 32 THR CB C 13 67.4860 0.2 . 1 . . . . 30 THR CB . 17145 1 367 . 1 1 32 32 THR CG2 C 13 23.6040 0.2 . 1 . . . . 30 THR CG2 . 17145 1 368 . 1 1 32 32 THR N N 15 120.4800 0.2 . 1 . . . . 30 THR N . 17145 1 369 . 1 1 33 33 ARG H H 1 8.9780 0.02 . 1 . . . . 31 ARG HN . 17145 1 370 . 1 1 33 33 ARG HA H 1 3.8170 0.02 . 1 . . . . 31 ARG HA . 17145 1 371 . 1 1 33 33 ARG HB2 H 1 1.5060 0.02 . 2 . . . . 31 ARG HB1 . 17145 1 372 . 1 1 33 33 ARG HB3 H 1 2.4000 0.02 . 2 . . . . 31 ARG HB2 . 17145 1 373 . 1 1 33 33 ARG HD2 H 1 2.6950 0.02 . 2 . . . . 31 ARG HD1 . 17145 1 374 . 1 1 33 33 ARG HD3 H 1 3.3580 0.02 . 2 . . . . 31 ARG HD2 . 17145 1 375 . 1 1 33 33 ARG HG2 H 1 0.5750 0.02 . 2 . . . . 31 ARG HG1 . 17145 1 376 . 1 1 33 33 ARG HG3 H 1 2.0580 0.02 . 2 . . . . 31 ARG HG2 . 17145 1 377 . 1 1 33 33 ARG C C 13 178.5400 0.2 . 1 . . . . 31 ARG C . 17145 1 378 . 1 1 33 33 ARG CA C 13 60.9970 0.2 . 1 . . . . 31 ARG CA . 17145 1 379 . 1 1 33 33 ARG CB C 13 31.9340 0.2 . 1 . . . . 31 ARG CB . 17145 1 380 . 1 1 33 33 ARG CD C 13 43.5330 0.2 . 1 . . . . 31 ARG CD . 17145 1 381 . 1 1 33 33 ARG CG C 13 29.6020 0.2 . 1 . . . . 31 ARG CG . 17145 1 382 . 1 1 33 33 ARG N N 15 120.9510 0.2 . 1 . . . . 31 ARG N . 17145 1 383 . 1 1 34 34 GLU H H 1 8.5420 0.02 . 1 . . . . 32 GLU HN . 17145 1 384 . 1 1 34 34 GLU HA H 1 3.8980 0.02 . 1 . . . . 32 GLU HA . 17145 1 385 . 1 1 34 34 GLU HB2 H 1 1.9850 0.02 . 2 . . . . 32 GLU HB1 . 17145 1 386 . 1 1 34 34 GLU HB3 H 1 2.2570 0.02 . 2 . . . . 32 GLU HB2 . 17145 1 387 . 1 1 34 34 GLU HG2 H 1 2.1480 0.02 . 2 . . . . 32 GLU HG1 . 17145 1 388 . 1 1 34 34 GLU HG3 H 1 2.5200 0.02 . 2 . . . . 32 GLU HG2 . 17145 1 389 . 1 1 34 34 GLU C C 13 178.7590 0.2 . 1 . . . . 32 GLU C . 17145 1 390 . 1 1 34 34 GLU CA C 13 59.9550 0.2 . 1 . . . . 32 GLU CA . 17145 1 391 . 1 1 34 34 GLU CB C 13 29.3810 0.2 . 1 . . . . 32 GLU CB . 17145 1 392 . 1 1 34 34 GLU CG C 13 36.8100 0.2 . 1 . . . . 32 GLU CG . 17145 1 393 . 1 1 34 34 GLU N N 15 118.7800 0.2 . 1 . . . . 32 GLU N . 17145 1 394 . 1 1 35 35 GLU H H 1 7.5120 0.02 . 1 . . . . 33 GLU HN . 17145 1 395 . 1 1 35 35 GLU HA H 1 3.9580 0.02 . 1 . . . . 33 GLU HA . 17145 1 396 . 1 1 35 35 GLU HB2 H 1 2.1570 0.02 . 2 . . . . 33 GLU HB1 . 17145 1 397 . 1 1 35 35 GLU HB3 H 1 1.9810 0.02 . 2 . . . . 33 GLU HB2 . 17145 1 398 . 1 1 35 35 GLU HG2 H 1 2.0350 0.02 . 2 . . . . 33 GLU HG1 . 17145 1 399 . 1 1 35 35 GLU HG3 H 1 2.3250 0.02 . 2 . . . . 33 GLU HG2 . 17145 1 400 . 1 1 35 35 GLU C C 13 178.8060 0.2 . 1 . . . . 33 GLU C . 17145 1 401 . 1 1 35 35 GLU CA C 13 59.6180 0.2 . 1 . . . . 33 GLU CA . 17145 1 402 . 1 1 35 35 GLU CB C 13 29.3050 0.2 . 1 . . . . 33 GLU CB . 17145 1 403 . 1 1 35 35 GLU CG C 13 36.3720 0.2 . 1 . . . . 33 GLU CG . 17145 1 404 . 1 1 35 35 GLU N N 15 120.7830 0.2 . 1 . . . . 33 GLU N . 17145 1 405 . 1 1 36 36 ILE H H 1 8.3730 0.02 . 1 . . . . 34 ILE HN . 17145 1 406 . 1 1 36 36 ILE HA H 1 3.5540 0.02 . 1 . . . . 34 ILE HA . 17145 1 407 . 1 1 36 36 ILE HB H 1 1.8340 0.02 . 1 . . . . 34 ILE HB . 17145 1 408 . 1 1 36 36 ILE HD11 H 1 0.8700 0.02 . 1 . . . . 34 ILE HD11 . 17145 1 409 . 1 1 36 36 ILE HD12 H 1 0.8700 0.02 . 1 . . . . 34 ILE HD11 . 17145 1 410 . 1 1 36 36 ILE HD13 H 1 0.8700 0.02 . 1 . . . . 34 ILE HD11 . 17145 1 411 . 1 1 36 36 ILE HG12 H 1 1.1000 0.02 . 2 . . . . 34 ILE HG11 . 17145 1 412 . 1 1 36 36 ILE HG13 H 1 1.8490 0.02 . 2 . . . . 34 ILE HG12 . 17145 1 413 . 1 1 36 36 ILE HG21 H 1 0.7580 0.02 . 1 . . . . 34 ILE HG21 . 17145 1 414 . 1 1 36 36 ILE HG22 H 1 0.7580 0.02 . 1 . . . . 34 ILE HG21 . 17145 1 415 . 1 1 36 36 ILE HG23 H 1 0.7580 0.02 . 1 . . . . 34 ILE HG21 . 17145 1 416 . 1 1 36 36 ILE C C 13 179.4470 0.2 . 1 . . . . 34 ILE C . 17145 1 417 . 1 1 36 36 ILE CA C 13 64.5860 0.2 . 1 . . . . 34 ILE CA . 17145 1 418 . 1 1 36 36 ILE CB C 13 38.4800 0.2 . 1 . . . . 34 ILE CB . 17145 1 419 . 1 1 36 36 ILE CD1 C 13 18.4370 0.2 . 1 . . . . 34 ILE CD1 . 17145 1 420 . 1 1 36 36 ILE CG1 C 13 28.5070 0.2 . 1 . . . . 34 ILE CG1 . 17145 1 421 . 1 1 36 36 ILE CG2 C 13 14.8200 0.2 . 1 . . . . 34 ILE CG2 . 17145 1 422 . 1 1 36 36 ILE N N 15 119.8370 0.2 . 1 . . . . 34 ILE N . 17145 1 423 . 1 1 37 37 ALA H H 1 8.5050 0.02 . 1 . . . . 35 ALA HN . 17145 1 424 . 1 1 37 37 ALA HA H 1 3.5960 0.02 . 1 . . . . 35 ALA HA . 17145 1 425 . 1 1 37 37 ALA HB1 H 1 1.2990 0.02 . 1 . . . . 35 ALA HB1 . 17145 1 426 . 1 1 37 37 ALA HB2 H 1 1.2990 0.02 . 1 . . . . 35 ALA HB1 . 17145 1 427 . 1 1 37 37 ALA HB3 H 1 1.2990 0.02 . 1 . . . . 35 ALA HB1 . 17145 1 428 . 1 1 37 37 ALA C C 13 178.6920 0.2 . 1 . . . . 35 ALA C . 17145 1 429 . 1 1 37 37 ALA CA C 13 55.6660 0.2 . 1 . . . . 35 ALA CA . 17145 1 430 . 1 1 37 37 ALA CB C 13 17.0760 0.2 . 1 . . . . 35 ALA CB . 17145 1 431 . 1 1 37 37 ALA N N 15 124.2030 0.2 . 1 . . . . 35 ALA N . 17145 1 432 . 1 1 38 38 VAL H H 1 7.6500 0.02 . 1 . . . . 36 VAL HN . 17145 1 433 . 1 1 38 38 VAL HA H 1 3.7390 0.02 . 1 . . . . 36 VAL HA . 17145 1 434 . 1 1 38 38 VAL HB H 1 2.1840 0.02 . 1 . . . . 36 VAL HB . 17145 1 435 . 1 1 38 38 VAL HG11 H 1 1.0960 0.02 . 2 . . . . 36 VAL HG11 . 17145 1 436 . 1 1 38 38 VAL HG12 H 1 1.0960 0.02 . 2 . . . . 36 VAL HG11 . 17145 1 437 . 1 1 38 38 VAL HG13 H 1 1.0960 0.02 . 2 . . . . 36 VAL HG11 . 17145 1 438 . 1 1 38 38 VAL HG21 H 1 0.9040 0.02 . 2 . . . . 36 VAL HG21 . 17145 1 439 . 1 1 38 38 VAL HG22 H 1 0.9040 0.02 . 2 . . . . 36 VAL HG21 . 17145 1 440 . 1 1 38 38 VAL HG23 H 1 0.9040 0.02 . 2 . . . . 36 VAL HG21 . 17145 1 441 . 1 1 38 38 VAL C C 13 179.8690 0.2 . 1 . . . . 36 VAL C . 17145 1 442 . 1 1 38 38 VAL CA C 13 66.4580 0.2 . 1 . . . . 36 VAL CA . 17145 1 443 . 1 1 38 38 VAL CB C 13 31.6620 0.2 . 1 . . . . 36 VAL CB . 17145 1 444 . 1 1 38 38 VAL CG1 C 13 22.6540 0.2 . 2 . . . . 36 VAL CG1 . 17145 1 445 . 1 1 38 38 VAL CG2 C 13 21.2040 0.2 . 2 . . . . 36 VAL CG2 . 17145 1 446 . 1 1 38 38 VAL N N 15 117.8770 0.2 . 1 . . . . 36 VAL N . 17145 1 447 . 1 1 39 39 TRP H H 1 7.9580 0.02 . 1 . . . . 37 TRP HN . 17145 1 448 . 1 1 39 39 TRP HA H 1 4.5720 0.02 . 1 . . . . 37 TRP HA . 17145 1 449 . 1 1 39 39 TRP HB2 H 1 3.4240 0.02 . 2 . . . . 37 TRP HB1 . 17145 1 450 . 1 1 39 39 TRP HB3 H 1 3.3480 0.02 . 2 . . . . 37 TRP HB2 . 17145 1 451 . 1 1 39 39 TRP HD1 H 1 7.1100 0.02 . 1 . . . . 37 TRP HD1 . 17145 1 452 . 1 1 39 39 TRP HE1 H 1 10.1920 0.02 . 1 . . . . 37 TRP HE1 . 17145 1 453 . 1 1 39 39 TRP HE3 H 1 7.5140 0.02 . 1 . . . . 37 TRP HE3 . 17145 1 454 . 1 1 39 39 TRP HH2 H 1 7.1150 0.02 . 1 . . . . 37 TRP HH2 . 17145 1 455 . 1 1 39 39 TRP HZ2 H 1 7.4000 0.02 . 1 . . . . 37 TRP HZ2 . 17145 1 456 . 1 1 39 39 TRP HZ3 H 1 7.0450 0.02 . 1 . . . . 37 TRP HZ3 . 17145 1 457 . 1 1 39 39 TRP C C 13 177.9270 0.2 . 1 . . . . 37 TRP C . 17145 1 458 . 1 1 39 39 TRP CA C 13 59.1320 0.2 . 1 . . . . 37 TRP CA . 17145 1 459 . 1 1 39 39 TRP CB C 13 29.5910 0.2 . 1 . . . . 37 TRP CB . 17145 1 460 . 1 1 39 39 TRP CD1 C 13 126.6510 0.2 . 1 . . . . 37 TRP CD1 . 17145 1 461 . 1 1 39 39 TRP CE3 C 13 120.7080 0.2 . 1 . . . . 37 TRP CE3 . 17145 1 462 . 1 1 39 39 TRP CH2 C 13 124.4750 0.2 . 1 . . . . 37 TRP CH2 . 17145 1 463 . 1 1 39 39 TRP CZ2 C 13 114.5760 0.2 . 1 . . . . 37 TRP CZ2 . 17145 1 464 . 1 1 39 39 TRP CZ3 C 13 122.1230 0.2 . 1 . . . . 37 TRP CZ3 . 17145 1 465 . 1 1 39 39 TRP N N 15 119.7040 0.2 . 1 . . . . 37 TRP N . 17145 1 466 . 1 1 39 39 TRP NE1 N 15 129.0670 0.2 . 1 . . . . 37 TRP NE1 . 17145 1 467 . 1 1 40 40 THR H H 1 7.9180 0.02 . 1 . . . . 38 THR HN . 17145 1 468 . 1 1 40 40 THR HA H 1 4.2650 0.02 . 1 . . . . 38 THR HA . 17145 1 469 . 1 1 40 40 THR HB H 1 4.1510 0.02 . 1 . . . . 38 THR HB . 17145 1 470 . 1 1 40 40 THR HG21 H 1 1.0780 0.02 . 1 . . . . 38 THR HG21 . 17145 1 471 . 1 1 40 40 THR HG22 H 1 1.0780 0.02 . 1 . . . . 38 THR HG21 . 17145 1 472 . 1 1 40 40 THR HG23 H 1 1.0780 0.02 . 1 . . . . 38 THR HG21 . 17145 1 473 . 1 1 40 40 THR C C 13 174.9190 0.2 . 1 . . . . 38 THR C . 17145 1 474 . 1 1 40 40 THR CA C 13 61.7740 0.2 . 1 . . . . 38 THR CA . 17145 1 475 . 1 1 40 40 THR CB C 13 71.1550 0.2 . 1 . . . . 38 THR CB . 17145 1 476 . 1 1 40 40 THR CG2 C 13 22.3650 0.2 . 1 . . . . 38 THR CG2 . 17145 1 477 . 1 1 40 40 THR N N 15 105.1360 0.2 . 1 . . . . 38 THR N . 17145 1 478 . 1 1 41 41 ASN H H 1 7.8390 0.02 . 1 . . . . 39 ASN HN . 17145 1 479 . 1 1 41 41 ASN HA H 1 4.4410 0.02 . 1 . . . . 39 ASN HA . 17145 1 480 . 1 1 41 41 ASN HB2 H 1 3.1660 0.02 . 2 . . . . 39 ASN HB1 . 17145 1 481 . 1 1 41 41 ASN HB3 H 1 2.7920 0.02 . 2 . . . . 39 ASN HB2 . 17145 1 482 . 1 1 41 41 ASN HD21 H 1 7.4650 0.02 . 2 . . . . 39 ASN HD21 . 17145 1 483 . 1 1 41 41 ASN HD22 H 1 6.8230 0.02 . 2 . . . . 39 ASN HD22 . 17145 1 484 . 1 1 41 41 ASN C C 13 173.9620 0.2 . 1 . . . . 39 ASN C . 17145 1 485 . 1 1 41 41 ASN CA C 13 54.8230 0.2 . 1 . . . . 39 ASN CA . 17145 1 486 . 1 1 41 41 ASN CB C 13 37.2230 0.2 . 1 . . . . 39 ASN CB . 17145 1 487 . 1 1 41 41 ASN N N 15 118.7680 0.2 . 1 . . . . 39 ASN N . 17145 1 488 . 1 1 41 41 ASN ND2 N 15 112.1870 0.2 . 1 . . . . 39 ASN ND2 . 17145 1 489 . 1 1 42 42 LEU H H 1 8.4560 0.02 . 1 . . . . 40 LEU HN . 17145 1 490 . 1 1 42 42 LEU HA H 1 4.8660 0.02 . 1 . . . . 40 LEU HA . 17145 1 491 . 1 1 42 42 LEU HB2 H 1 1.3190 0.02 . 2 . . . . 40 LEU HB1 . 17145 1 492 . 1 1 42 42 LEU HB3 H 1 1.5690 0.02 . 2 . . . . 40 LEU HB2 . 17145 1 493 . 1 1 42 42 LEU HD11 H 1 0.8790 0.02 . 2 . . . . 40 LEU HD11 . 17145 1 494 . 1 1 42 42 LEU HD12 H 1 0.8790 0.02 . 2 . . . . 40 LEU HD11 . 17145 1 495 . 1 1 42 42 LEU HD13 H 1 0.8790 0.02 . 2 . . . . 40 LEU HD11 . 17145 1 496 . 1 1 42 42 LEU HD21 H 1 0.7180 0.02 . 2 . . . . 40 LEU HD21 . 17145 1 497 . 1 1 42 42 LEU HD22 H 1 0.7180 0.02 . 2 . . . . 40 LEU HD21 . 17145 1 498 . 1 1 42 42 LEU HD23 H 1 0.7180 0.02 . 2 . . . . 40 LEU HD21 . 17145 1 499 . 1 1 42 42 LEU HG H 1 1.3080 0.02 . 1 . . . . 40 LEU HG . 17145 1 500 . 1 1 42 42 LEU C C 13 175.7080 0.2 . 1 . . . . 40 LEU C . 17145 1 501 . 1 1 42 42 LEU CA C 13 53.1590 0.2 . 1 . . . . 40 LEU CA . 17145 1 502 . 1 1 42 42 LEU CB C 13 46.7050 0.2 . 1 . . . . 40 LEU CB . 17145 1 503 . 1 1 42 42 LEU CD1 C 13 24.0080 0.2 . 2 . . . . 40 LEU CD1 . 17145 1 504 . 1 1 42 42 LEU CD2 C 13 25.9760 0.2 . 2 . . . . 40 LEU CD2 . 17145 1 505 . 1 1 42 42 LEU N N 15 119.7700 0.2 . 1 . . . . 40 LEU N . 17145 1 506 . 1 1 43 43 THR H H 1 6.9690 0.02 . 1 . . . . 41 THR HN . 17145 1 507 . 1 1 43 43 THR HA H 1 4.5880 0.02 . 1 . . . . 41 THR HA . 17145 1 508 . 1 1 43 43 THR HB H 1 4.8620 0.02 . 1 . . . . 41 THR HB . 17145 1 509 . 1 1 43 43 THR HG21 H 1 1.2540 0.02 . 1 . . . . 41 THR HG21 . 17145 1 510 . 1 1 43 43 THR HG22 H 1 1.2540 0.02 . 1 . . . . 41 THR HG21 . 17145 1 511 . 1 1 43 43 THR HG23 H 1 1.2540 0.02 . 1 . . . . 41 THR HG21 . 17145 1 512 . 1 1 43 43 THR C C 13 175.7870 0.2 . 1 . . . . 41 THR C . 17145 1 513 . 1 1 43 43 THR CA C 13 59.4360 0.2 . 1 . . . . 41 THR CA . 17145 1 514 . 1 1 43 43 THR CB C 13 71.1640 0.2 . 1 . . . . 41 THR CB . 17145 1 515 . 1 1 43 43 THR CG2 C 13 22.2180 0.2 . 1 . . . . 41 THR CG2 . 17145 1 516 . 1 1 43 43 THR N N 15 106.5910 0.2 . 1 . . . . 41 THR N . 17145 1 517 . 1 1 44 44 GLU H H 1 9.4220 0.02 . 1 . . . . 42 GLU HN . 17145 1 518 . 1 1 44 44 GLU HA H 1 3.5590 0.02 . 1 . . . . 42 GLU HA . 17145 1 519 . 1 1 44 44 GLU HB2 H 1 2.2970 0.02 . 2 . . . . 42 GLU HB1 . 17145 1 520 . 1 1 44 44 GLU HB3 H 1 1.8560 0.02 . 2 . . . . 42 GLU HB2 . 17145 1 521 . 1 1 44 44 GLU HG2 H 1 2.5680 0.02 . 2 . . . . 42 GLU HG1 . 17145 1 522 . 1 1 44 44 GLU HG3 H 1 2.0550 0.02 . 2 . . . . 42 GLU HG2 . 17145 1 523 . 1 1 44 44 GLU C C 13 177.8580 0.2 . 1 . . . . 42 GLU C . 17145 1 524 . 1 1 44 44 GLU CA C 13 61.6350 0.2 . 1 . . . . 42 GLU CA . 17145 1 525 . 1 1 44 44 GLU CB C 13 28.3310 0.2 . 1 . . . . 42 GLU CB . 17145 1 526 . 1 1 44 44 GLU CG C 13 37.4820 0.2 . 1 . . . . 42 GLU CG . 17145 1 527 . 1 1 44 44 GLU N N 15 124.2990 0.2 . 1 . . . . 42 GLU N . 17145 1 528 . 1 1 45 45 ALA H H 1 8.4270 0.02 . 1 . . . . 43 ALA HN . 17145 1 529 . 1 1 45 45 ALA HA H 1 3.9030 0.02 . 1 . . . . 43 ALA HA . 17145 1 530 . 1 1 45 45 ALA HB1 H 1 1.4040 0.02 . 1 . . . . 43 ALA HB1 . 17145 1 531 . 1 1 45 45 ALA HB2 H 1 1.4040 0.02 . 1 . . . . 43 ALA HB1 . 17145 1 532 . 1 1 45 45 ALA HB3 H 1 1.4040 0.02 . 1 . . . . 43 ALA HB1 . 17145 1 533 . 1 1 45 45 ALA C C 13 180.5320 0.2 . 1 . . . . 43 ALA C . 17145 1 534 . 1 1 45 45 ALA CA C 13 55.5580 0.2 . 1 . . . . 43 ALA CA . 17145 1 535 . 1 1 45 45 ALA CB C 13 18.4570 0.2 . 1 . . . . 43 ALA CB . 17145 1 536 . 1 1 45 45 ALA N N 15 119.6130 0.2 . 1 . . . . 43 ALA N . 17145 1 537 . 1 1 46 46 ARG H H 1 7.6540 0.02 . 1 . . . . 44 ARG HN . 17145 1 538 . 1 1 46 46 ARG HA H 1 4.1950 0.02 . 1 . . . . 44 ARG HA . 17145 1 539 . 1 1 46 46 ARG HB2 H 1 1.9370 0.02 . 2 . . . . 44 ARG HB1 . 17145 1 540 . 1 1 46 46 ARG HB3 H 1 2.0440 0.02 . 2 . . . . 44 ARG HB2 . 17145 1 541 . 1 1 46 46 ARG HD2 H 1 3.2350 0.02 . 2 . . . . 44 ARG HD1 . 17145 1 542 . 1 1 46 46 ARG HD3 H 1 3.1290 0.02 . 2 . . . . 44 ARG HD2 . 17145 1 543 . 1 1 46 46 ARG HG2 H 1 1.7480 0.02 . 2 . . . . 44 ARG HG1 . 17145 1 544 . 1 1 46 46 ARG HG3 H 1 1.8840 0.02 . 2 . . . . 44 ARG HG2 . 17145 1 545 . 1 1 46 46 ARG C C 13 179.8180 0.2 . 1 . . . . 44 ARG C . 17145 1 546 . 1 1 46 46 ARG CA C 13 58.9930 0.2 . 1 . . . . 44 ARG CA . 17145 1 547 . 1 1 46 46 ARG CB C 13 30.7990 0.2 . 1 . . . . 44 ARG CB . 17145 1 548 . 1 1 46 46 ARG CD C 13 43.3100 0.2 . 1 . . . . 44 ARG CD . 17145 1 549 . 1 1 46 46 ARG CG C 13 27.7920 0.2 . 1 . . . . 44 ARG CG . 17145 1 550 . 1 1 46 46 ARG N N 15 117.1290 0.2 . 1 . . . . 44 ARG N . 17145 1 551 . 1 1 47 47 VAL H H 1 8.1460 0.02 . 1 . . . . 45 VAL HN . 17145 1 552 . 1 1 47 47 VAL HA H 1 3.6880 0.02 . 1 . . . . 45 VAL HA . 17145 1 553 . 1 1 47 47 VAL HB H 1 2.3810 0.02 . 1 . . . . 45 VAL HB . 17145 1 554 . 1 1 47 47 VAL HG11 H 1 0.9870 0.02 . 2 . . . . 45 VAL HG11 . 17145 1 555 . 1 1 47 47 VAL HG12 H 1 0.9870 0.02 . 2 . . . . 45 VAL HG11 . 17145 1 556 . 1 1 47 47 VAL HG13 H 1 0.9870 0.02 . 2 . . . . 45 VAL HG11 . 17145 1 557 . 1 1 47 47 VAL HG21 H 1 1.1020 0.02 . 2 . . . . 45 VAL HG21 . 17145 1 558 . 1 1 47 47 VAL HG22 H 1 1.1020 0.02 . 2 . . . . 45 VAL HG21 . 17145 1 559 . 1 1 47 47 VAL HG23 H 1 1.1020 0.02 . 2 . . . . 45 VAL HG21 . 17145 1 560 . 1 1 47 47 VAL C C 13 177.4480 0.2 . 1 . . . . 45 VAL C . 17145 1 561 . 1 1 47 47 VAL CA C 13 67.4490 0.2 . 1 . . . . 45 VAL CA . 17145 1 562 . 1 1 47 47 VAL CB C 13 32.4220 0.2 . 1 . . . . 45 VAL CB . 17145 1 563 . 1 1 47 47 VAL CG1 C 13 23.6040 0.2 . 2 . . . . 45 VAL CG1 . 17145 1 564 . 1 1 47 47 VAL CG2 C 13 22.4510 0.2 . 2 . . . . 45 VAL CG2 . 17145 1 565 . 1 1 47 47 VAL N N 15 121.0010 0.2 . 1 . . . . 45 VAL N . 17145 1 566 . 1 1 48 48 ARG H H 1 9.2740 0.02 . 1 . . . . 46 ARG HN . 17145 1 567 . 1 1 48 48 ARG HA H 1 3.8840 0.02 . 1 . . . . 46 ARG HA . 17145 1 568 . 1 1 48 48 ARG HB2 H 1 2.2140 0.02 . 2 . . . . 46 ARG HB1 . 17145 1 569 . 1 1 48 48 ARG HB3 H 1 2.0570 0.02 . 2 . . . . 46 ARG HB2 . 17145 1 570 . 1 1 48 48 ARG HD2 H 1 3.2480 0.02 . 2 . . . . 46 ARG HD2 . 17145 1 571 . 1 1 48 48 ARG HE H 1 9.3300 0.02 . 1 . . . . 46 ARG HE . 17145 1 572 . 1 1 48 48 ARG HG2 H 1 1.6170 0.02 . 2 . . . . 46 ARG HG1 . 17145 1 573 . 1 1 48 48 ARG HG3 H 1 1.4960 0.02 . 2 . . . . 46 ARG HG2 . 17145 1 574 . 1 1 48 48 ARG C C 13 179.4010 0.2 . 1 . . . . 46 ARG C . 17145 1 575 . 1 1 48 48 ARG CA C 13 60.6940 0.2 . 1 . . . . 46 ARG CA . 17145 1 576 . 1 1 48 48 ARG CB C 13 30.5330 0.2 . 1 . . . . 46 ARG CB . 17145 1 577 . 1 1 48 48 ARG CD C 13 43.7370 0.2 . 1 . . . . 46 ARG CD . 17145 1 578 . 1 1 48 48 ARG CG C 13 26.2000 0.2 . 1 . . . . 46 ARG CG . 17145 1 579 . 1 1 48 48 ARG N N 15 120.9650 0.2 . 1 . . . . 46 ARG N . 17145 1 580 . 1 1 48 48 ARG NE N 15 80.7680 0.2 . 1 . . . . 46 ARG NE . 17145 1 581 . 1 1 49 49 VAL H H 1 7.8650 0.02 . 1 . . . . 47 VAL HN . 17145 1 582 . 1 1 49 49 VAL HA H 1 3.7390 0.02 . 1 . . . . 47 VAL HA . 17145 1 583 . 1 1 49 49 VAL HB H 1 2.1860 0.02 . 1 . . . . 47 VAL HB . 17145 1 584 . 1 1 49 49 VAL HG11 H 1 1.0410 0.02 . 2 . . . . 47 VAL HG11 . 17145 1 585 . 1 1 49 49 VAL HG12 H 1 1.0410 0.02 . 2 . . . . 47 VAL HG11 . 17145 1 586 . 1 1 49 49 VAL HG13 H 1 1.0410 0.02 . 2 . . . . 47 VAL HG11 . 17145 1 587 . 1 1 49 49 VAL HG21 H 1 1.1490 0.02 . 2 . . . . 47 VAL HG21 . 17145 1 588 . 1 1 49 49 VAL HG22 H 1 1.1490 0.02 . 2 . . . . 47 VAL HG21 . 17145 1 589 . 1 1 49 49 VAL HG23 H 1 1.1490 0.02 . 2 . . . . 47 VAL HG21 . 17145 1 590 . 1 1 49 49 VAL C C 13 177.2430 0.2 . 1 . . . . 47 VAL C . 17145 1 591 . 1 1 49 49 VAL CA C 13 66.1250 0.2 . 1 . . . . 47 VAL CA . 17145 1 592 . 1 1 49 49 VAL CB C 13 32.2630 0.2 . 1 . . . . 47 VAL CB . 17145 1 593 . 1 1 49 49 VAL CG1 C 13 21.3050 0.2 . 2 . . . . 47 VAL CG1 . 17145 1 594 . 1 1 49 49 VAL CG2 C 13 23.2390 0.2 . 2 . . . . 47 VAL CG2 . 17145 1 595 . 1 1 49 49 VAL N N 15 119.2590 0.2 . 1 . . . . 47 VAL N . 17145 1 596 . 1 1 50 50 TRP H H 1 8.3380 0.02 . 1 . . . . 48 TRP HN . 17145 1 597 . 1 1 50 50 TRP HA H 1 3.9630 0.02 . 1 . . . . 48 TRP HA . 17145 1 598 . 1 1 50 50 TRP HB2 H 1 3.4270 0.02 . 2 . . . . 48 TRP HB1 . 17145 1 599 . 1 1 50 50 TRP HB3 H 1 3.2360 0.02 . 2 . . . . 48 TRP HB2 . 17145 1 600 . 1 1 50 50 TRP HD1 H 1 6.6130 0.02 . 1 . . . . 48 TRP HD1 . 17145 1 601 . 1 1 50 50 TRP HE1 H 1 9.1600 0.02 . 1 . . . . 48 TRP HE1 . 17145 1 602 . 1 1 50 50 TRP HE3 H 1 6.6010 0.02 . 1 . . . . 48 TRP HE3 . 17145 1 603 . 1 1 50 50 TRP HH2 H 1 6.4700 0.02 . 1 . . . . 48 TRP HH2 . 17145 1 604 . 1 1 50 50 TRP HZ2 H 1 7.1320 0.02 . 1 . . . . 48 TRP HZ2 . 17145 1 605 . 1 1 50 50 TRP HZ3 H 1 5.5510 0.02 . 1 . . . . 48 TRP HZ3 . 17145 1 606 . 1 1 50 50 TRP C C 13 179.8210 0.2 . 1 . . . . 48 TRP C . 17145 1 607 . 1 1 50 50 TRP CA C 13 63.4770 0.2 . 1 . . . . 48 TRP CA . 17145 1 608 . 1 1 50 50 TRP CB C 13 28.4620 0.2 . 1 . . . . 48 TRP CB . 17145 1 609 . 1 1 50 50 TRP CD1 C 13 126.9640 0.2 . 1 . . . . 48 TRP CD1 . 17145 1 610 . 1 1 50 50 TRP CH2 C 13 123.4940 0.2 . 1 . . . . 48 TRP CH2 . 17145 1 611 . 1 1 50 50 TRP CZ2 C 13 113.8910 0.2 . 1 . . . . 48 TRP CZ2 . 17145 1 612 . 1 1 50 50 TRP CZ3 C 13 120.9130 0.2 . 1 . . . . 48 TRP CZ3 . 17145 1 613 . 1 1 50 50 TRP N N 15 121.9550 0.2 . 1 . . . . 48 TRP N . 17145 1 614 . 1 1 50 50 TRP NE1 N 15 128.1610 0.2 . 1 . . . . 48 TRP NE1 . 17145 1 615 . 1 1 51 51 PHE H H 1 8.9510 0.02 . 1 . . . . 49 PHE HN . 17145 1 616 . 1 1 51 51 PHE HA H 1 3.6600 0.02 . 1 . . . . 49 PHE HA . 17145 1 617 . 1 1 51 51 PHE HB2 H 1 3.2290 0.02 . 2 . . . . 49 PHE HB2 . 17145 1 618 . 1 1 51 51 PHE HD1 H 1 7.7410 0.02 . 3 . . . . 49 PHE HD1 . 17145 1 619 . 1 1 51 51 PHE HD2 H 1 7.7410 0.02 . 3 . . . . 49 PHE HD2 . 17145 1 620 . 1 1 51 51 PHE HE1 H 1 7.5630 0.02 . 3 . . . . 49 PHE HE1 . 17145 1 621 . 1 1 51 51 PHE HE2 H 1 7.5630 0.02 . 3 . . . . 49 PHE HE2 . 17145 1 622 . 1 1 51 51 PHE HZ H 1 7.4000 0.02 . 1 . . . . 49 PHE HZ . 17145 1 623 . 1 1 51 51 PHE C C 13 177.6800 0.2 . 1 . . . . 49 PHE C . 17145 1 624 . 1 1 51 51 PHE CA C 13 63.7140 0.2 . 1 . . . . 49 PHE CA . 17145 1 625 . 1 1 51 51 PHE CB C 13 39.2080 0.2 . 1 . . . . 49 PHE CB . 17145 1 626 . 1 1 51 51 PHE CD1 C 13 131.9770 0.2 . 1 . . . . 49 PHE CD1 . 17145 1 627 . 1 1 51 51 PHE CD2 C 13 131.9770 0.2 . 1 . . . . 49 PHE CD2 . 17145 1 628 . 1 1 51 51 PHE CE1 C 13 131.9450 0.2 . 1 . . . . 49 PHE CE1 . 17145 1 629 . 1 1 51 51 PHE CE2 C 13 131.9450 0.2 . 1 . . . . 49 PHE CE2 . 17145 1 630 . 1 1 51 51 PHE CZ C 13 129.9690 0.2 . 1 . . . . 49 PHE CZ . 17145 1 631 . 1 1 51 51 PHE N N 15 117.9020 0.2 . 1 . . . . 49 PHE N . 17145 1 632 . 1 1 52 52 LYS H H 1 7.8960 0.02 . 1 . . . . 50 LYS HN . 17145 1 633 . 1 1 52 52 LYS HA H 1 3.9370 0.02 . 1 . . . . 50 LYS HA . 17145 1 634 . 1 1 52 52 LYS HB2 H 1 2.0090 0.02 . 2 . . . . 50 LYS HB1 . 17145 1 635 . 1 1 52 52 LYS HB3 H 1 1.9220 0.02 . 2 . . . . 50 LYS HB2 . 17145 1 636 . 1 1 52 52 LYS HD2 H 1 1.7500 0.02 . 2 . . . . 50 LYS HD1 . 17145 1 637 . 1 1 52 52 LYS HD3 H 1 1.6760 0.02 . 2 . . . . 50 LYS HD2 . 17145 1 638 . 1 1 52 52 LYS HE2 H 1 3.0060 0.02 . 2 . . . . 50 LYS HE2 . 17145 1 639 . 1 1 52 52 LYS HG2 H 1 1.4380 0.02 . 2 . . . . 50 LYS HG1 . 17145 1 640 . 1 1 52 52 LYS HG3 H 1 1.6750 0.02 . 2 . . . . 50 LYS HG2 . 17145 1 641 . 1 1 52 52 LYS C C 13 179.9340 0.2 . 1 . . . . 50 LYS C . 17145 1 642 . 1 1 52 52 LYS CA C 13 60.5150 0.2 . 1 . . . . 50 LYS CA . 17145 1 643 . 1 1 52 52 LYS CB C 13 32.4330 0.2 . 1 . . . . 50 LYS CB . 17145 1 644 . 1 1 52 52 LYS CD C 13 29.6270 0.2 . 1 . . . . 50 LYS CD . 17145 1 645 . 1 1 52 52 LYS CE C 13 41.9780 0.2 . 1 . . . . 50 LYS CE . 17145 1 646 . 1 1 52 52 LYS CG C 13 24.9140 0.2 . 1 . . . . 50 LYS CG . 17145 1 647 . 1 1 52 52 LYS N N 15 120.4260 0.2 . 1 . . . . 50 LYS N . 17145 1 648 . 1 1 53 53 ASN H H 1 8.2230 0.02 . 1 . . . . 51 ASN HN . 17145 1 649 . 1 1 53 53 ASN HA H 1 4.2970 0.02 . 1 . . . . 51 ASN HA . 17145 1 650 . 1 1 53 53 ASN HB2 H 1 2.4380 0.02 . 2 . . . . 51 ASN HB1 . 17145 1 651 . 1 1 53 53 ASN HB3 H 1 2.6000 0.02 . 2 . . . . 51 ASN HB2 . 17145 1 652 . 1 1 53 53 ASN HD21 H 1 7.4620 0.02 . 2 . . . . 51 ASN HD21 . 17145 1 653 . 1 1 53 53 ASN HD22 H 1 6.9480 0.02 . 2 . . . . 51 ASN HD22 . 17145 1 654 . 1 1 53 53 ASN C C 13 182.4540 0.2 . 1 . . . . 51 ASN C . 17145 1 655 . 1 1 53 53 ASN CA C 13 55.4980 0.2 . 1 . . . . 51 ASN CA . 17145 1 656 . 1 1 53 53 ASN CB C 13 37.7030 0.2 . 1 . . . . 51 ASN CB . 17145 1 657 . 1 1 53 53 ASN N N 15 119.2210 0.2 . 1 . . . . 51 ASN N . 17145 1 658 . 1 1 53 53 ASN ND2 N 15 112.8650 0.2 . 1 . . . . 51 ASN ND2 . 17145 1 659 . 1 1 54 54 ARG H H 1 8.4030 0.02 . 1 . . . . 52 ARG HN . 17145 1 660 . 1 1 54 54 ARG HA H 1 3.4120 0.02 . 1 . . . . 52 ARG HA . 17145 1 661 . 1 1 54 54 ARG HB2 H 1 0.6450 0.02 . 2 . . . . 52 ARG HB1 . 17145 1 662 . 1 1 54 54 ARG HB3 H 1 -0.6180 0.02 . 2 . . . . 52 ARG HB2 . 17145 1 663 . 1 1 54 54 ARG HD2 H 1 2.0220 0.02 . 2 . . . . 52 ARG HD1 . 17145 1 664 . 1 1 54 54 ARG HD3 H 1 2.3180 0.02 . 2 . . . . 52 ARG HD2 . 17145 1 665 . 1 1 54 54 ARG HE H 1 10.0050 0.02 . 1 . . . . 52 ARG HE . 17145 1 666 . 1 1 54 54 ARG HG2 H 1 -0.7990 0.02 . 2 . . . . 52 ARG HG1 . 17145 1 667 . 1 1 54 54 ARG HG3 H 1 -0.2300 0.02 . 2 . . . . 52 ARG HG2 . 17145 1 668 . 1 1 54 54 ARG C C 13 179.8620 0.2 . 1 . . . . 52 ARG C . 17145 1 669 . 1 1 54 54 ARG CA C 13 56.4100 0.2 . 1 . . . . 52 ARG CA . 17145 1 670 . 1 1 54 54 ARG CB C 13 27.6840 0.2 . 1 . . . . 52 ARG CB . 17145 1 671 . 1 1 54 54 ARG CD C 13 40.3820 0.2 . 1 . . . . 52 ARG CD . 17145 1 672 . 1 1 54 54 ARG CG C 13 24.1240 0.2 . 1 . . . . 52 ARG CG . 17145 1 673 . 1 1 54 54 ARG N N 15 124.1000 0.2 . 1 . . . . 52 ARG N . 17145 1 674 . 1 1 55 55 ARG H H 1 8.2920 0.02 . 1 . . . . 53 ARG HN . 17145 1 675 . 1 1 55 55 ARG HA H 1 3.9400 0.02 . 1 . . . . 53 ARG HA . 17145 1 676 . 1 1 55 55 ARG HB2 H 1 2.2020 0.02 . 2 . . . . 53 ARG HB2 . 17145 1 677 . 1 1 55 55 ARG HD2 H 1 2.7120 0.02 . 2 . . . . 53 ARG HD1 . 17145 1 678 . 1 1 55 55 ARG HD3 H 1 2.6070 0.02 . 2 . . . . 53 ARG HD2 . 17145 1 679 . 1 1 55 55 ARG HG2 H 1 1.7990 0.02 . 2 . . . . 53 ARG HG2 . 17145 1 680 . 1 1 55 55 ARG C C 13 178.1960 0.2 . 1 . . . . 53 ARG C . 17145 1 681 . 1 1 55 55 ARG CA C 13 60.6930 0.2 . 1 . . . . 53 ARG CA . 17145 1 682 . 1 1 55 55 ARG CB C 13 31.5800 0.2 . 1 . . . . 53 ARG CB . 17145 1 683 . 1 1 55 55 ARG CD C 13 43.7200 0.2 . 1 . . . . 53 ARG CD . 17145 1 684 . 1 1 55 55 ARG CG C 13 31.6750 0.2 . 1 . . . . 53 ARG CG . 17145 1 685 . 1 1 55 55 ARG N N 15 119.6120 0.2 . 1 . . . . 53 ARG N . 17145 1 686 . 1 1 56 56 ALA H H 1 7.4160 0.02 . 1 . . . . 54 ALA HN . 17145 1 687 . 1 1 56 56 ALA HA H 1 4.1310 0.02 . 1 . . . . 54 ALA HA . 17145 1 688 . 1 1 56 56 ALA HB1 H 1 1.4750 0.02 . 1 . . . . 54 ALA HB1 . 17145 1 689 . 1 1 56 56 ALA HB2 H 1 1.4750 0.02 . 1 . . . . 54 ALA HB1 . 17145 1 690 . 1 1 56 56 ALA HB3 H 1 1.4750 0.02 . 1 . . . . 54 ALA HB1 . 17145 1 691 . 1 1 56 56 ALA C C 13 180.0200 0.2 . 1 . . . . 54 ALA C . 17145 1 692 . 1 1 56 56 ALA CA C 13 55.2570 0.2 . 1 . . . . 54 ALA CA . 17145 1 693 . 1 1 56 56 ALA CB C 13 17.6290 0.2 . 1 . . . . 54 ALA CB . 17145 1 694 . 1 1 56 56 ALA N N 15 121.6590 0.2 . 1 . . . . 54 ALA N . 17145 1 695 . 1 1 57 57 LYS H H 1 7.4120 0.02 . 1 . . . . 55 LYS HN . 17145 1 696 . 1 1 57 57 LYS HA H 1 3.9450 0.02 . 1 . . . . 55 LYS HA . 17145 1 697 . 1 1 57 57 LYS HB2 H 1 1.7000 0.02 . 2 . . . . 55 LYS HB2 . 17145 1 698 . 1 1 57 57 LYS HD2 H 1 1.4440 0.02 . 2 . . . . 55 LYS HD2 . 17145 1 699 . 1 1 57 57 LYS HE2 H 1 2.7770 0.02 . 2 . . . . 55 LYS HE2 . 17145 1 700 . 1 1 57 57 LYS HG2 H 1 1.3820 0.02 . 2 . . . . 55 LYS HG1 . 17145 1 701 . 1 1 57 57 LYS HG3 H 1 1.2440 0.02 . 2 . . . . 55 LYS HG2 . 17145 1 702 . 1 1 57 57 LYS C C 13 178.2460 0.2 . 1 . . . . 55 LYS C . 17145 1 703 . 1 1 57 57 LYS CA C 13 58.9280 0.2 . 1 . . . . 55 LYS CA . 17145 1 704 . 1 1 57 57 LYS CB C 13 32.6760 0.2 . 1 . . . . 55 LYS CB . 17145 1 705 . 1 1 57 57 LYS CD C 13 29.2860 0.2 . 1 . . . . 55 LYS CD . 17145 1 706 . 1 1 57 57 LYS CE C 13 41.9280 0.2 . 1 . . . . 55 LYS CE . 17145 1 707 . 1 1 57 57 LYS CG C 13 24.9210 0.2 . 1 . . . . 55 LYS CG . 17145 1 708 . 1 1 57 57 LYS N N 15 118.2160 0.2 . 1 . . . . 55 LYS N . 17145 1 709 . 1 1 58 58 TRP H H 1 8.0080 0.02 . 1 . . . . 56 TRP HN . 17145 1 710 . 1 1 58 58 TRP HA H 1 4.4780 0.02 . 1 . . . . 56 TRP HA . 17145 1 711 . 1 1 58 58 TRP HB2 H 1 3.6190 0.02 . 2 . . . . 56 TRP HB1 . 17145 1 712 . 1 1 58 58 TRP HB3 H 1 3.1780 0.02 . 2 . . . . 56 TRP HB2 . 17145 1 713 . 1 1 58 58 TRP HD1 H 1 7.3940 0.02 . 1 . . . . 56 TRP HD1 . 17145 1 714 . 1 1 58 58 TRP HE1 H 1 10.3660 0.02 . 1 . . . . 56 TRP HE1 . 17145 1 715 . 1 1 58 58 TRP HE3 H 1 7.6230 0.02 . 1 . . . . 56 TRP HE3 . 17145 1 716 . 1 1 58 58 TRP HH2 H 1 7.3210 0.02 . 1 . . . . 56 TRP HH2 . 17145 1 717 . 1 1 58 58 TRP HZ2 H 1 7.5370 0.02 . 1 . . . . 56 TRP HZ2 . 17145 1 718 . 1 1 58 58 TRP HZ3 H 1 7.2020 0.02 . 1 . . . . 56 TRP HZ3 . 17145 1 719 . 1 1 58 58 TRP C C 13 177.8350 0.2 . 1 . . . . 56 TRP C . 17145 1 720 . 1 1 58 58 TRP CA C 13 59.6970 0.2 . 1 . . . . 56 TRP CA . 17145 1 721 . 1 1 58 58 TRP CB C 13 29.1700 0.2 . 1 . . . . 56 TRP CB . 17145 1 722 . 1 1 58 58 TRP CD1 C 13 127.2880 0.2 . 1 . . . . 56 TRP CD1 . 17145 1 723 . 1 1 58 58 TRP CE3 C 13 120.1250 0.2 . 1 . . . . 56 TRP CE3 . 17145 1 724 . 1 1 58 58 TRP CH2 C 13 124.7910 0.2 . 1 . . . . 56 TRP CH2 . 17145 1 725 . 1 1 58 58 TRP CZ2 C 13 114.8160 0.2 . 1 . . . . 56 TRP CZ2 . 17145 1 726 . 1 1 58 58 TRP CZ3 C 13 121.9280 0.2 . 1 . . . . 56 TRP CZ3 . 17145 1 727 . 1 1 58 58 TRP N N 15 121.1290 0.2 . 1 . . . . 56 TRP N . 17145 1 728 . 1 1 58 58 TRP NE1 N 15 130.5210 0.2 . 1 . . . . 56 TRP NE1 . 17145 1 729 . 1 1 59 59 ARG H H 1 8.2760 0.02 . 1 . . . . 57 ARG HN . 17145 1 730 . 1 1 59 59 ARG HA H 1 3.7320 0.02 . 1 . . . . 57 ARG HA . 17145 1 731 . 1 1 59 59 ARG HB2 H 1 1.7940 0.02 . 2 . . . . 57 ARG HB1 . 17145 1 732 . 1 1 59 59 ARG HB3 H 1 1.8350 0.02 . 2 . . . . 57 ARG HB2 . 17145 1 733 . 1 1 59 59 ARG HD2 H 1 3.1730 0.02 . 2 . . . . 57 ARG HD2 . 17145 1 734 . 1 1 59 59 ARG HG2 H 1 1.8840 0.02 . 2 . . . . 57 ARG HG1 . 17145 1 735 . 1 1 59 59 ARG HG3 H 1 1.5540 0.02 . 2 . . . . 57 ARG HG2 . 17145 1 736 . 1 1 59 59 ARG C C 13 177.4260 0.2 . 1 . . . . 57 ARG C . 17145 1 737 . 1 1 59 59 ARG CA C 13 58.4850 0.2 . 1 . . . . 57 ARG CA . 17145 1 738 . 1 1 59 59 ARG CB C 13 30.6890 0.2 . 1 . . . . 57 ARG CB . 17145 1 739 . 1 1 59 59 ARG CD C 13 43.5690 0.2 . 1 . . . . 57 ARG CD . 17145 1 740 . 1 1 59 59 ARG CG C 13 28.4100 0.2 . 1 . . . . 57 ARG CG . 17145 1 741 . 1 1 59 59 ARG N N 15 118.0110 0.2 . 1 . . . . 57 ARG N . 17145 1 742 . 1 1 60 60 LYS H H 1 7.5080 0.02 . 1 . . . . 58 LYS HN . 17145 1 743 . 1 1 60 60 LYS HA H 1 4.1120 0.02 . 1 . . . . 58 LYS HA . 17145 1 744 . 1 1 60 60 LYS HB2 H 1 1.8570 0.02 . 2 . . . . 58 LYS HB1 . 17145 1 745 . 1 1 60 60 LYS HB3 H 1 1.7690 0.02 . 2 . . . . 58 LYS HB2 . 17145 1 746 . 1 1 60 60 LYS HD2 H 1 1.6140 0.02 . 2 . . . . 58 LYS HD2 . 17145 1 747 . 1 1 60 60 LYS HE2 H 1 2.9050 0.02 . 2 . . . . 58 LYS HE2 . 17145 1 748 . 1 1 60 60 LYS HG2 H 1 1.3900 0.02 . 2 . . . . 58 LYS HG1 . 17145 1 749 . 1 1 60 60 LYS HG3 H 1 1.4880 0.02 . 2 . . . . 58 LYS HG2 . 17145 1 750 . 1 1 60 60 LYS C C 13 176.9710 0.2 . 1 . . . . 58 LYS C . 17145 1 751 . 1 1 60 60 LYS CA C 13 57.2580 0.2 . 1 . . . . 58 LYS CA . 17145 1 752 . 1 1 60 60 LYS CB C 13 32.5530 0.2 . 1 . . . . 58 LYS CB . 17145 1 753 . 1 1 60 60 LYS CD C 13 29.0760 0.2 . 1 . . . . 58 LYS CD . 17145 1 754 . 1 1 60 60 LYS CE C 13 42.0270 0.2 . 1 . . . . 58 LYS CE . 17145 1 755 . 1 1 60 60 LYS N N 15 118.4510 0.2 . 1 . . . . 58 LYS N . 17145 1 756 . 1 1 61 61 ARG H H 1 7.7610 0.02 . 1 . . . . 59 ARG HN . 17145 1 757 . 1 1 61 61 ARG HA H 1 4.1260 0.02 . 1 . . . . 59 ARG HA . 17145 1 758 . 1 1 61 61 ARG HB2 H 1 1.7730 0.02 . 2 . . . . 59 ARG HB2 . 17145 1 759 . 1 1 61 61 ARG HD2 H 1 3.0100 0.02 . 2 . . . . 59 ARG HD1 . 17145 1 760 . 1 1 61 61 ARG HD3 H 1 2.9650 0.02 . 2 . . . . 59 ARG HD2 . 17145 1 761 . 1 1 61 61 ARG HG2 H 1 1.5010 0.02 . 2 . . . . 59 ARG HG2 . 17145 1 762 . 1 1 61 61 ARG C C 13 176.4500 0.2 . 1 . . . . 59 ARG C . 17145 1 763 . 1 1 61 61 ARG CA C 13 56.7310 0.2 . 1 . . . . 59 ARG CA . 17145 1 764 . 1 1 61 61 ARG CB C 13 30.0150 0.2 . 1 . . . . 59 ARG CB . 17145 1 765 . 1 1 61 61 ARG CD C 13 43.0880 0.2 . 1 . . . . 59 ARG CD . 17145 1 766 . 1 1 61 61 ARG CG C 13 26.8230 0.2 . 1 . . . . 59 ARG CG . 17145 1 767 . 1 1 61 61 ARG N N 15 118.6460 0.2 . 1 . . . . 59 ARG N . 17145 1 768 . 1 1 62 62 GLU H H 1 8.1170 0.02 . 1 . . . . 60 GLU HN . 17145 1 769 . 1 1 62 62 GLU HA H 1 4.1320 0.02 . 1 . . . . 60 GLU HA . 17145 1 770 . 1 1 62 62 GLU HB2 H 1 1.7040 0.02 . 2 . . . . 60 GLU HB1 . 17145 1 771 . 1 1 62 62 GLU HB3 H 1 1.8300 0.02 . 2 . . . . 60 GLU HB2 . 17145 1 772 . 1 1 62 62 GLU HG2 H 1 2.0080 0.02 . 2 . . . . 60 GLU HG2 . 17145 1 773 . 1 1 62 62 GLU C C 13 176.4010 0.2 . 1 . . . . 60 GLU C . 17145 1 774 . 1 1 62 62 GLU CA C 13 56.7270 0.2 . 1 . . . . 60 GLU CA . 17145 1 775 . 1 1 62 62 GLU CB C 13 30.1300 0.2 . 1 . . . . 60 GLU CB . 17145 1 776 . 1 1 62 62 GLU CG C 13 36.3540 0.2 . 1 . . . . 60 GLU CG . 17145 1 777 . 1 1 62 62 GLU N N 15 120.0050 0.2 . 1 . . . . 60 GLU N . 17145 1 778 . 1 1 63 63 GLU H H 1 8.0160 0.02 . 1 . . . . 61 GLU HN . 17145 1 779 . 1 1 63 63 GLU HA H 1 4.0460 0.02 . 1 . . . . 61 GLU HA . 17145 1 780 . 1 1 63 63 GLU HB2 H 1 1.6940 0.02 . 2 . . . . 61 GLU HB1 . 17145 1 781 . 1 1 63 63 GLU HB3 H 1 1.8140 0.02 . 2 . . . . 61 GLU HB2 . 17145 1 782 . 1 1 63 63 GLU HG2 H 1 1.9570 0.02 . 2 . . . . 61 GLU HG1 . 17145 1 783 . 1 1 63 63 GLU HG3 H 1 2.0650 0.02 . 2 . . . . 61 GLU HG2 . 17145 1 784 . 1 1 63 63 GLU C C 13 175.8420 0.2 . 1 . . . . 61 GLU C . 17145 1 785 . 1 1 63 63 GLU CA C 13 56.8270 0.2 . 1 . . . . 61 GLU CA . 17145 1 786 . 1 1 63 63 GLU CB C 13 30.2380 0.2 . 1 . . . . 61 GLU CB . 17145 1 787 . 1 1 63 63 GLU CG C 13 36.2190 0.2 . 1 . . . . 61 GLU CG . 17145 1 788 . 1 1 63 63 GLU N N 15 120.4610 0.2 . 1 . . . . 61 GLU N . 17145 1 789 . 1 1 64 64 PHE H H 1 7.9760 0.02 . 1 . . . . 62 PHE HN . 17145 1 790 . 1 1 64 64 PHE HA H 1 4.5690 0.02 . 1 . . . . 62 PHE HA . 17145 1 791 . 1 1 64 64 PHE HB2 H 1 3.0600 0.02 . 2 . . . . 62 PHE HB1 . 17145 1 792 . 1 1 64 64 PHE HB3 H 1 2.9240 0.02 . 2 . . . . 62 PHE HB2 . 17145 1 793 . 1 1 64 64 PHE HD1 H 1 7.1310 0.02 . 3 . . . . 62 PHE HD1 . 17145 1 794 . 1 1 64 64 PHE HD2 H 1 7.1310 0.02 . 3 . . . . 62 PHE HD2 . 17145 1 795 . 1 1 64 64 PHE HE1 H 1 7.2590 0.02 . 3 . . . . 62 PHE HE1 . 17145 1 796 . 1 1 64 64 PHE HE2 H 1 7.2590 0.02 . 3 . . . . 62 PHE HE2 . 17145 1 797 . 1 1 64 64 PHE C C 13 175.0250 0.2 . 1 . . . . 62 PHE C . 17145 1 798 . 1 1 64 64 PHE CA C 13 57.4300 0.2 . 1 . . . . 62 PHE CA . 17145 1 799 . 1 1 64 64 PHE CB C 13 39.4210 0.2 . 1 . . . . 62 PHE CB . 17145 1 800 . 1 1 64 64 PHE CD1 C 13 131.6680 0.2 . 1 . . . . 62 PHE CD1 . 17145 1 801 . 1 1 64 64 PHE CD2 C 13 131.6680 0.2 . 1 . . . . 62 PHE CD2 . 17145 1 802 . 1 1 64 64 PHE CE1 C 13 131.5330 0.2 . 1 . . . . 62 PHE CE1 . 17145 1 803 . 1 1 64 64 PHE CE2 C 13 131.5330 0.2 . 1 . . . . 62 PHE CE2 . 17145 1 804 . 1 1 64 64 PHE N N 15 120.2800 0.2 . 1 . . . . 62 PHE N . 17145 1 805 . 1 1 65 65 ILE H H 1 7.8830 0.02 . 1 . . . . 63 ILE HN . 17145 1 806 . 1 1 65 65 ILE HA H 1 4.0820 0.02 . 1 . . . . 63 ILE HA . 17145 1 807 . 1 1 65 65 ILE HB H 1 1.7160 0.02 . 1 . . . . 63 ILE HB . 17145 1 808 . 1 1 65 65 ILE HD11 H 1 0.7620 0.02 . 1 . . . . 63 ILE HD11 . 17145 1 809 . 1 1 65 65 ILE HD12 H 1 0.7620 0.02 . 1 . . . . 63 ILE HD11 . 17145 1 810 . 1 1 65 65 ILE HD13 H 1 0.7620 0.02 . 1 . . . . 63 ILE HD11 . 17145 1 811 . 1 1 65 65 ILE HG12 H 1 1.3720 0.02 . 2 . . . . 63 ILE HG11 . 17145 1 812 . 1 1 65 65 ILE HG13 H 1 1.0640 0.02 . 2 . . . . 63 ILE HG12 . 17145 1 813 . 1 1 65 65 ILE HG21 H 1 0.7780 0.02 . 1 . . . . 63 ILE HG21 . 17145 1 814 . 1 1 65 65 ILE HG22 H 1 0.7780 0.02 . 1 . . . . 63 ILE HG21 . 17145 1 815 . 1 1 65 65 ILE HG23 H 1 0.7780 0.02 . 1 . . . . 63 ILE HG21 . 17145 1 816 . 1 1 65 65 ILE C C 13 175.6250 0.2 . 1 . . . . 63 ILE C . 17145 1 817 . 1 1 65 65 ILE CA C 13 60.7750 0.2 . 1 . . . . 63 ILE CA . 17145 1 818 . 1 1 65 65 ILE CB C 13 38.7800 0.2 . 1 . . . . 63 ILE CB . 17145 1 819 . 1 1 65 65 ILE CD1 C 13 12.8150 0.2 . 1 . . . . 63 ILE CD1 . 17145 1 820 . 1 1 65 65 ILE CG1 C 13 27.1820 0.2 . 1 . . . . 63 ILE CG1 . 17145 1 821 . 1 1 65 65 ILE CG2 C 13 17.3430 0.2 . 1 . . . . 63 ILE CG2 . 17145 1 822 . 1 1 65 65 ILE N N 15 123.5960 0.2 . 1 . . . . 63 ILE N . 17145 1 823 . 1 1 66 66 VAL H H 1 8.2610 0.02 . 1 . . . . 64 VAL HN . 17145 1 824 . 1 1 66 66 VAL HA H 1 4.1060 0.02 . 1 . . . . 64 VAL HA . 17145 1 825 . 1 1 66 66 VAL HB H 1 2.0170 0.02 . 1 . . . . 64 VAL HB . 17145 1 826 . 1 1 66 66 VAL HG11 H 1 0.9290 0.02 . 2 . . . . 64 VAL HG11 . 17145 1 827 . 1 1 66 66 VAL HG12 H 1 0.9290 0.02 . 2 . . . . 64 VAL HG11 . 17145 1 828 . 1 1 66 66 VAL HG13 H 1 0.9290 0.02 . 2 . . . . 64 VAL HG11 . 17145 1 829 . 1 1 66 66 VAL HG21 H 1 0.9290 0.02 . 2 . . . . 64 VAL HG21 . 17145 1 830 . 1 1 66 66 VAL HG22 H 1 0.9290 0.02 . 2 . . . . 64 VAL HG21 . 17145 1 831 . 1 1 66 66 VAL HG23 H 1 0.9290 0.02 . 2 . . . . 64 VAL HG21 . 17145 1 832 . 1 1 66 66 VAL C C 13 176.1650 0.2 . 1 . . . . 64 VAL C . 17145 1 833 . 1 1 66 66 VAL CA C 13 62.3410 0.2 . 1 . . . . 64 VAL CA . 17145 1 834 . 1 1 66 66 VAL CB C 13 32.6740 0.2 . 1 . . . . 64 VAL CB . 17145 1 835 . 1 1 66 66 VAL CG2 C 13 21.0250 0.2 . 2 . . . . 64 VAL CG2 . 17145 1 836 . 1 1 66 66 VAL N N 15 125.6500 0.2 . 1 . . . . 64 VAL N . 17145 1 837 . 1 1 67 67 THR H H 1 8.2470 0.02 . 1 . . . . 65 THR HN . 17145 1 838 . 1 1 67 67 THR HA H 1 4.3640 0.02 . 1 . . . . 65 THR HA . 17145 1 839 . 1 1 67 67 THR HB H 1 4.2370 0.02 . 1 . . . . 65 THR HB . 17145 1 840 . 1 1 67 67 THR HG21 H 1 1.1480 0.02 . 1 . . . . 65 THR HG21 . 17145 1 841 . 1 1 67 67 THR HG22 H 1 1.1480 0.02 . 1 . . . . 65 THR HG21 . 17145 1 842 . 1 1 67 67 THR HG23 H 1 1.1480 0.02 . 1 . . . . 65 THR HG21 . 17145 1 843 . 1 1 67 67 THR C C 13 173.4250 0.2 . 1 . . . . 65 THR C . 17145 1 844 . 1 1 67 67 THR CA C 13 61.2390 0.2 . 1 . . . . 65 THR CA . 17145 1 845 . 1 1 67 67 THR CB C 13 69.9550 0.2 . 1 . . . . 65 THR CB . 17145 1 846 . 1 1 67 67 THR CG2 C 13 21.2580 0.2 . 1 . . . . 65 THR CG2 . 17145 1 847 . 1 1 67 67 THR N N 15 118.5230 0.2 . 1 . . . . 65 THR N . 17145 1 848 . 1 1 68 68 ASP H H 1 7.9380 0.02 . 1 . . . . 66 ASP HN . 17145 1 849 . 1 1 68 68 ASP HA H 1 4.3660 0.02 . 1 . . . . 66 ASP HA . 17145 1 850 . 1 1 68 68 ASP HB2 H 1 2.5160 0.02 . 2 . . . . 66 ASP HB1 . 17145 1 851 . 1 1 68 68 ASP HB3 H 1 2.6200 0.02 . 2 . . . . 66 ASP HB2 . 17145 1 852 . 1 1 68 68 ASP CA C 13 55.9800 0.2 . 1 . . . . 66 ASP CA . 17145 1 853 . 1 1 68 68 ASP CB C 13 42.2740 0.2 . 1 . . . . 66 ASP CB . 17145 1 854 . 1 1 68 68 ASP N N 15 128.2000 0.2 . 1 . . . . 66 ASP N . 17145 1 stop_ save_