data_18015 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18015 _Entry.Title ; Chemical shift assignments for the homeodomain of Pitx2 in complex with a TAATCC DNA binding site ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-21 _Entry.Accession_date 2011-10-21 _Entry.Last_release_date 2011-11-28 _Entry.Original_release_date 2011-11-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jamie Baird-Titus . M. . 18015 2 Thomas Doerdelmann . . . 18015 3 Beth Chaney . A. . 18015 4 Kimber Clark-Baldwin . . . 18015 5 Vrushank Dave . . . 18015 6 Jun Ma . . . 18015 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18015 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID homeodomain . 18015 pitx2 . 18015 protein/DNA . 18015 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18015 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 225 18015 '15N chemical shifts' 89 18015 '1H chemical shifts' 519 18015 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-11-28 2011-10-21 original author . 18015 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1YZ8 'current entry is to replace entry 1YZ8' 18015 PDB 2LKX 'BMRB Entry Tracking System' 18015 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18015 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/bi0473253 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the K50 class homeodomain PITX2 bound to DNA and implications for mutations that cause Rieger syndrome' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7497 _Citation.Page_last 7511 _Citation.Year 2005 _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 Beth Chaney . A. . 18015 1 2 Kimber Clark-Baldwin . . . 18015 1 3 Vrushank Dave . . . 18015 1 4 Jun Ma . . . 18015 1 5 Mark Rance . . . 18015 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18015 _Assembly.ID 1 _Assembly.Name PITX2 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 1 $PITX2 A . yes native no no . . . 18015 1 2 DNA_1 2 $DNA_1 B . no native no no . . . 18015 1 3 DNA_2 3 $DNA_2 C . no native no no . . . 18015 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PITX2 _Entity.Sf_category entity _Entity.Sf_framecode PITX2 _Entity.Entry_ID 18015 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PITX2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSQRRQRTHFTSQQLQELEA TFQRNRYPDMSTREEIAVWT NLTEARVRVWFKNRRAKWRK REEFIVTD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'the residue numbering matches the consensus number scheme for homeodomain motifs' _Entity.Polymer_author_seq_details ; Residues 61-66 represent a non-native cloning artifact. Residues -2, -1 represent are non-native, cloning artifact. ; _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 man _Entity.Parent_entity_ID . _Entity.Fragment 'pitx2 homeodomain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8486.608 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17145 . Pitx2_homeodomain_R24H . . . . . 100.00 68 98.53 98.53 3.26e-39 . . . . 18015 1 2 no BMRB 17147 . Pitx2_homeodomain . . . . . 100.00 68 100.00 100.00 6.59e-40 . . . . 18015 1 3 no BMRB 17452 . Pitx2_HD . . . . . 100.00 68 100.00 100.00 6.59e-40 . . . . 18015 1 4 no PDB 2L7F . "Solution Structure Of The Pitx2 Homeodomain" . . . . . 100.00 68 100.00 100.00 6.59e-40 . . . . 18015 1 5 no PDB 2L7M . "Solution Structure Of The Pitx2 Homeodomain R24h Mutant" . . . . . 100.00 68 98.53 98.53 3.26e-39 . . . . 18015 1 6 no PDB 2LKX . "Nmr Structure Of The Homeodomain Of Pitx2 In Complex With A Taatcc Dna Binding Site" . . . . . 100.00 68 100.00 100.00 6.59e-40 . . . . 18015 1 7 no DBJ BAA75247 . "Brx1a homeoprotein [Mus musculus]" . . . . . 88.24 324 100.00 100.00 1.46e-32 . . . . 18015 1 8 no DBJ BAA75248 . "Brx1b homeoprotein [Mus musculus]" . . . . . 88.24 317 100.00 100.00 3.01e-31 . . . . 18015 1 9 no DBJ BAB69053 . "pitx2 [Paralichthys olivaceus]" . . . . . 88.24 312 100.00 100.00 1.27e-33 . . . . 18015 1 10 no DBJ BAD12775 . "Pitx homologue [Lethenteron camtschaticum]" . . . . . 88.24 199 100.00 100.00 2.33e-34 . . . . 18015 1 11 no DBJ BAF84280 . "unnamed protein product [Homo sapiens]" . . . . . 88.24 271 98.33 98.33 3.34e-33 . . . . 18015 1 12 no EMBL CAA06696 . "XPtx2a [Xenopus laevis]" . . . . . 88.24 326 100.00 100.00 1.88e-31 . . . . 18015 1 13 no EMBL CAA06697 . "XPtx2b [Xenopus laevis]" . . . . . 88.24 316 100.00 100.00 5.03e-31 . . . . 18015 1 14 no EMBL CAA09455 . "Ptx3 protein [Rattus norvegicus]" . . . . . 88.24 302 100.00 100.00 5.88e-37 . . . . 18015 1 15 no EMBL CAB52283 . "homeodomain protein Ptx2A [Rattus norvegicus]" . . . . . 88.24 324 100.00 100.00 1.62e-32 . . . . 18015 1 16 no EMBL CAB52284 . "homeodomain protein Ptx2B [Rattus norvegicus]" . . . . . 88.24 271 100.00 100.00 1.66e-31 . . . . 18015 1 17 no GB AAB38505 . "orthodenticle-like homeobox 2 [Mus musculus]" . . . . . 88.24 271 100.00 100.00 1.66e-31 . . . . 18015 1 18 no GB AAB38864 . "solurshin, partial [Mus musculus]" . . . . . 88.24 255 100.00 100.00 1.51e-31 . . . . 18015 1 19 no GB AAB87380 . "homeobox protein Pitx3 [Mus musculus]" . . . . . 88.24 302 100.00 100.00 4.61e-37 . . . . 18015 1 20 no GB AAC16257 . "solurshin [Homo sapiens]" . . . . . 88.24 271 98.33 100.00 8.34e-31 . . . . 18015 1 21 no GB AAC24502 . "homeodomain protein [Homo sapiens]" . . . . . 88.24 302 100.00 100.00 1.51e-36 . . . . 18015 1 22 no REF NP_000316 . "pituitary homeobox 2 isoform c [Homo sapiens]" . . . . . 88.24 324 100.00 100.00 2.08e-32 . . . . 18015 1 23 no REF NP_001007500 . "pituitary homeobox 1 [Xenopus (Silurana) tropicalis]" . . . . . 88.24 305 98.33 98.33 4.02e-30 . . . . 18015 1 24 no REF NP_001017227 . "pituitary homeobox 2 [Xenopus (Silurana) tropicalis]" . . . . . 88.24 345 100.00 100.00 1.74e-30 . . . . 18015 1 25 no REF NP_001035436 . "pituitary homeobox 1 [Danio rerio]" . . . . . 88.24 285 100.00 100.00 7.23e-34 . . . . 18015 1 26 no REF NP_001035967 . "pituitary homeobox 2 isoform c [Mus musculus]" . . . . . 88.24 324 100.00 100.00 1.15e-32 . . . . 18015 1 27 no SP O35160 . "RecName: Full=Pituitary homeobox 3; AltName: Full=Homeobox protein PITX3; AltName: Full=Paired-like homeodomain transcription f" . . . . . 88.24 302 100.00 100.00 4.61e-37 . . . . 18015 1 28 no SP O75364 . "RecName: Full=Pituitary homeobox 3; AltName: Full=Homeobox protein PITX3; AltName: Full=Paired-like homeodomain transcription f" . . . . . 88.24 302 100.00 100.00 1.51e-36 . . . . 18015 1 29 no SP O93385 . "RecName: Full=Pituitary homeobox 2; AltName: Full=Homeobox protein PITX2; Short=cPITX2; AltName: Full=Paired-like homeodomain t" . . . . . 88.24 333 100.00 100.00 3.22e-32 . . . . 18015 1 30 no SP P81062 . "RecName: Full=Pituitary homeobox 3; AltName: Full=Homeobox protein PITX3; AltName: Full=Paired-like homeodomain transcription f" . . . . . 88.24 302 100.00 100.00 5.88e-37 . . . . 18015 1 31 no SP P97474 . "RecName: Full=Pituitary homeobox 2; AltName: Full=ALL1-responsive protein ARP1; AltName: Full=BRX1 homeoprotein; AltName: Full=" . . . . . 88.24 317 100.00 100.00 2.42e-31 . . . . 18015 1 32 no TPG DAA14908 . "TPA: paired-like homeodomain 3-like [Bos taurus]" . . . . . 88.24 302 100.00 100.00 6.53e-37 . . . . 18015 1 33 no TPG DAA28868 . "TPA: paired-like homeodomain 2 [Bos taurus]" . . . . . 88.24 325 100.00 100.00 1.83e-32 . . . . 18015 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 -2 GLY . 18015 1 2 -1 SER . 18015 1 3 1 GLN . 18015 1 4 2 ARG . 18015 1 5 3 ARG . 18015 1 6 4 GLN . 18015 1 7 5 ARG . 18015 1 8 6 THR . 18015 1 9 7 HIS . 18015 1 10 8 PHE . 18015 1 11 9 THR . 18015 1 12 10 SER . 18015 1 13 11 GLN . 18015 1 14 12 GLN . 18015 1 15 13 LEU . 18015 1 16 14 GLN . 18015 1 17 15 GLU . 18015 1 18 16 LEU . 18015 1 19 17 GLU . 18015 1 20 18 ALA . 18015 1 21 19 THR . 18015 1 22 20 PHE . 18015 1 23 21 GLN . 18015 1 24 22 ARG . 18015 1 25 23 ASN . 18015 1 26 24 ARG . 18015 1 27 25 TYR . 18015 1 28 26 PRO . 18015 1 29 27 ASP . 18015 1 30 28 MET . 18015 1 31 29 SER . 18015 1 32 30 THR . 18015 1 33 31 ARG . 18015 1 34 32 GLU . 18015 1 35 33 GLU . 18015 1 36 34 ILE . 18015 1 37 35 ALA . 18015 1 38 36 VAL . 18015 1 39 37 TRP . 18015 1 40 38 THR . 18015 1 41 39 ASN . 18015 1 42 40 LEU . 18015 1 43 41 THR . 18015 1 44 42 GLU . 18015 1 45 43 ALA . 18015 1 46 44 ARG . 18015 1 47 45 VAL . 18015 1 48 46 ARG . 18015 1 49 47 VAL . 18015 1 50 48 TRP . 18015 1 51 49 PHE . 18015 1 52 50 LYS . 18015 1 53 51 ASN . 18015 1 54 52 ARG . 18015 1 55 53 ARG . 18015 1 56 54 ALA . 18015 1 57 55 LYS . 18015 1 58 56 TRP . 18015 1 59 57 ARG . 18015 1 60 58 LYS . 18015 1 61 59 ARG . 18015 1 62 60 GLU . 18015 1 63 61 GLU . 18015 1 64 62 PHE . 18015 1 65 63 ILE . 18015 1 66 64 VAL . 18015 1 67 65 THR . 18015 1 68 66 ASP . 18015 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 18015 1 . SER 2 2 18015 1 . GLN 3 3 18015 1 . ARG 4 4 18015 1 . ARG 5 5 18015 1 . GLN 6 6 18015 1 . ARG 7 7 18015 1 . THR 8 8 18015 1 . HIS 9 9 18015 1 . PHE 10 10 18015 1 . THR 11 11 18015 1 . SER 12 12 18015 1 . GLN 13 13 18015 1 . GLN 14 14 18015 1 . LEU 15 15 18015 1 . GLN 16 16 18015 1 . GLU 17 17 18015 1 . LEU 18 18 18015 1 . GLU 19 19 18015 1 . ALA 20 20 18015 1 . THR 21 21 18015 1 . PHE 22 22 18015 1 . GLN 23 23 18015 1 . ARG 24 24 18015 1 . ASN 25 25 18015 1 . ARG 26 26 18015 1 . TYR 27 27 18015 1 . PRO 28 28 18015 1 . ASP 29 29 18015 1 . MET 30 30 18015 1 . SER 31 31 18015 1 . THR 32 32 18015 1 . ARG 33 33 18015 1 . GLU 34 34 18015 1 . GLU 35 35 18015 1 . ILE 36 36 18015 1 . ALA 37 37 18015 1 . VAL 38 38 18015 1 . TRP 39 39 18015 1 . THR 40 40 18015 1 . ASN 41 41 18015 1 . LEU 42 42 18015 1 . THR 43 43 18015 1 . GLU 44 44 18015 1 . ALA 45 45 18015 1 . ARG 46 46 18015 1 . VAL 47 47 18015 1 . ARG 48 48 18015 1 . VAL 49 49 18015 1 . TRP 50 50 18015 1 . PHE 51 51 18015 1 . LYS 52 52 18015 1 . ASN 53 53 18015 1 . ARG 54 54 18015 1 . ARG 55 55 18015 1 . ALA 56 56 18015 1 . LYS 57 57 18015 1 . TRP 58 58 18015 1 . ARG 59 59 18015 1 . LYS 60 60 18015 1 . ARG 61 61 18015 1 . GLU 62 62 18015 1 . GLU 63 63 18015 1 . PHE 64 64 18015 1 . ILE 65 65 18015 1 . VAL 66 66 18015 1 . THR 67 67 18015 1 . ASP 68 68 18015 1 stop_ save_ save_DNA_1 _Entity.Sf_category entity _Entity.Sf_framecode DNA_1 _Entity.Entry_ID 18015 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CTCTAATCCCC _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 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3229.152 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 DC . 18015 2 2 2 DT . 18015 2 3 3 DC . 18015 2 4 4 DT . 18015 2 5 5 DA . 18015 2 6 6 DA . 18015 2 7 7 DT . 18015 2 8 8 DC . 18015 2 9 9 DC . 18015 2 10 10 DC . 18015 2 11 11 DC . 18015 2 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 . DC 1 1 18015 2 . DT 2 2 18015 2 . DC 3 3 18015 2 . DT 4 4 18015 2 . DA 5 5 18015 2 . DA 6 6 18015 2 . DT 7 7 18015 2 . DC 8 8 18015 2 . DC 9 9 18015 2 . DC 10 10 18015 2 . DC 11 11 18015 2 stop_ save_ save_DNA_2 _Entity.Sf_category entity _Entity.Sf_framecode DNA_2 _Entity.Entry_ID 18015 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name DNA_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GGGGATTAGAG _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 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3478.311 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 DG . 18015 3 2 2 DG . 18015 3 3 3 DG . 18015 3 4 4 DG . 18015 3 5 5 DA . 18015 3 6 6 DT . 18015 3 7 7 DT . 18015 3 8 8 DA . 18015 3 9 9 DG . 18015 3 10 10 DA . 18015 3 11 11 DG . 18015 3 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 . DG 1 1 18015 3 . DG 2 2 18015 3 . DG 3 3 18015 3 . DG 4 4 18015 3 . DA 5 5 18015 3 . DT 6 6 18015 3 . DT 7 7 18015 3 . DA 8 8 18015 3 . DG 9 9 18015 3 . DA 10 10 18015 3 . DG 11 11 18015 3 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 18015 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18015 1 2 2 $DNA_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18015 1 3 3 $DNA_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18015 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 18015 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-1lambdat-PITX2HD . . . . . . 18015 1 2 2 $DNA_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18015 1 3 3 $DNA_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18015 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18015 _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 '[U-99% 13C; U-99% 15N]' . . 1 $PITX2 . . 1 . . mM . . . . 18015 1 2 DNA_1 'natural abundance' . . 2 $DNA_1 . . 1 . . mM . . . . 18015 1 3 DNA_2 'natural abundance' . . 3 $DNA_2 . . 1 . . mM . . . . 18015 1 4 H2O '[U-99% 13C; U-99% 15N]' . . . . . . 90 . . % . . . . 18015 1 5 D2O '[U-99% 13C; U-99% 15N]' . . . . . . 10 . . % . . . . 18015 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18015 _Sample.ID 2 _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 '[U-99% 15N]' . . 1 $PITX2 . . 1 . . mM . . . . 18015 2 2 DNA_1 'natural abundance' . . 2 $DNA_1 . . 1 . . mM . . . . 18015 2 3 DNA_2 'natural abundance' . . 3 $DNA_2 . . 1 . . mM . . . . 18015 2 4 H2O '[U-99% 13C; U-99% 15N]' . . . . . . 90 . . % . . . . 18015 2 5 D2O '[U-99% 13C; U-99% 15N]' . . . . . . 10 . . % . . . . 18015 2 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 18015 _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 pH 7.0 0.05 pH 18015 1 pressure 1 . atm 18015 1 temperature 295 0.1 K 18015 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18015 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18015 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18015 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18015 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 18015 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18015 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18015 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18015 _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 18015 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18015 _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 . . . 18015 1 2 spectrometer_2 Varian INOVA . 600 . . . 18015 1 3 spectrometer_3 Varian INOVA . 500 . . . 18015 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 18015 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18015 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18015 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 18015 _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 . . . . . . . . . 18015 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18015 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18015 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 18015 _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' . . . 18015 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 H H 1 8.531 0.020 . 1 . . . A -1 SER H . 18015 1 2 . 1 1 2 2 SER HB2 H 1 3.912 0.020 . 2 . . . A -1 SER HB2 . 18015 1 3 . 1 1 2 2 SER HB3 H 1 3.912 0.020 . 2 . . . A -1 SER HB3 . 18015 1 4 . 1 1 2 2 SER CB C 13 63.898 0.400 . 1 . . . A -1 SER CB . 18015 1 5 . 1 1 3 3 GLN H H 1 8.579 0.020 . 1 . . . A 1 GLN H . 18015 1 6 . 1 1 3 3 GLN HA H 1 4.440 0.020 . 1 . . . A 1 GLN HA . 18015 1 7 . 1 1 3 3 GLN HB2 H 1 2.122 0.020 . 2 . . . A 1 GLN HB2 . 18015 1 8 . 1 1 3 3 GLN HB3 H 1 2.014 0.020 . 2 . . . A 1 GLN HB3 . 18015 1 9 . 1 1 3 3 GLN HG2 H 1 2.389 0.020 . 2 . . . A 1 GLN HG2 . 18015 1 10 . 1 1 3 3 GLN HG3 H 1 2.389 0.020 . 2 . . . A 1 GLN HG3 . 18015 1 11 . 1 1 3 3 GLN HE21 H 1 6.876 0.020 . 2 . . . A 1 GLN HE21 . 18015 1 12 . 1 1 3 3 GLN HE22 H 1 7.643 0.020 . 2 . . . A 1 GLN HE22 . 18015 1 13 . 1 1 3 3 GLN CA C 13 55.678 0.400 . 1 . . . A 1 GLN CA . 18015 1 14 . 1 1 3 3 GLN CB C 13 29.688 0.400 . 1 . . . A 1 GLN CB . 18015 1 15 . 1 1 3 3 GLN CG C 13 33.921 0.400 . 1 . . . A 1 GLN CG . 18015 1 16 . 1 1 3 3 GLN N N 15 122.384 0.400 . 1 . . . A 1 GLN N . 18015 1 17 . 1 1 3 3 GLN NE2 N 15 112.778 0.400 . 1 . . . A 1 GLN NE2 . 18015 1 18 . 1 1 4 4 ARG H H 1 8.472 0.020 . 1 . . . A 2 ARG H . 18015 1 19 . 1 1 4 4 ARG HA H 1 4.475 0.020 . 1 . . . A 2 ARG HA . 18015 1 20 . 1 1 4 4 ARG HB2 H 1 1.805 0.020 . 2 . . . A 2 ARG HB2 . 18015 1 21 . 1 1 4 4 ARG HB3 H 1 1.878 0.020 . 2 . . . A 2 ARG HB3 . 18015 1 22 . 1 1 4 4 ARG HG2 H 1 1.749 0.020 . 2 . . . A 2 ARG HG2 . 18015 1 23 . 1 1 4 4 ARG HG3 H 1 1.749 0.020 . 2 . . . A 2 ARG HG3 . 18015 1 24 . 1 1 4 4 ARG HD2 H 1 3.299 0.020 . 2 . . . A 2 ARG HD2 . 18015 1 25 . 1 1 4 4 ARG HD3 H 1 3.299 0.020 . 2 . . . A 2 ARG HD3 . 18015 1 26 . 1 1 4 4 ARG HE H 1 7.475 0.020 . 1 . . . A 2 ARG HE . 18015 1 27 . 1 1 4 4 ARG CA C 13 55.904 0.400 . 1 . . . A 2 ARG CA . 18015 1 28 . 1 1 4 4 ARG CG C 13 27.285 0.400 . 1 . . . A 2 ARG CG . 18015 1 29 . 1 1 4 4 ARG CD C 13 43.704 0.400 . 1 . . . A 2 ARG CD . 18015 1 30 . 1 1 4 4 ARG N N 15 123.855 0.400 . 1 . . . A 2 ARG N . 18015 1 31 . 1 1 4 4 ARG NE N 15 84.774 0.400 . 1 . . . A 2 ARG NE . 18015 1 32 . 1 1 5 5 ARG H H 1 9.078 0.020 . 1 . . . A 3 ARG H . 18015 1 33 . 1 1 5 5 ARG HA H 1 4.284 0.020 . 1 . . . A 3 ARG HA . 18015 1 34 . 1 1 5 5 ARG HB2 H 1 1.888 0.020 . 2 . . . A 3 ARG HB2 . 18015 1 35 . 1 1 5 5 ARG HB3 H 1 1.769 0.020 . 2 . . . A 3 ARG HB3 . 18015 1 36 . 1 1 5 5 ARG HG2 H 1 1.803 0.020 . 2 . . . A 3 ARG HG2 . 18015 1 37 . 1 1 5 5 ARG HG3 H 1 1.803 0.020 . 2 . . . A 3 ARG HG3 . 18015 1 38 . 1 1 5 5 ARG HD2 H 1 3.290 0.020 . 2 . . . A 3 ARG HD2 . 18015 1 39 . 1 1 5 5 ARG HD3 H 1 3.290 0.020 . 2 . . . A 3 ARG HD3 . 18015 1 40 . 1 1 5 5 ARG HE H 1 7.696 0.020 . 1 . . . A 3 ARG HE . 18015 1 41 . 1 1 5 5 ARG CA C 13 56.385 0.400 . 1 . . . A 3 ARG CA . 18015 1 42 . 1 1 5 5 ARG CG C 13 27.006 0.400 . 1 . . . A 3 ARG CG . 18015 1 43 . 1 1 5 5 ARG N N 15 125.147 0.400 . 1 . . . A 3 ARG N . 18015 1 44 . 1 1 5 5 ARG NE N 15 84.042 0.400 . 1 . . . A 3 ARG NE . 18015 1 45 . 1 1 6 6 GLN H H 1 8.475 0.020 . 1 . . . A 4 GLN H . 18015 1 46 . 1 1 6 6 GLN HA H 1 4.301 0.020 . 1 . . . A 4 GLN HA . 18015 1 47 . 1 1 6 6 GLN HB2 H 1 1.998 0.020 . 2 . . . A 4 GLN HB2 . 18015 1 48 . 1 1 6 6 GLN HB3 H 1 1.998 0.020 . 2 . . . A 4 GLN HB3 . 18015 1 49 . 1 1 6 6 GLN HG2 H 1 2.375 0.020 . 2 . . . A 4 GLN HG2 . 18015 1 50 . 1 1 6 6 GLN HG3 H 1 2.375 0.020 . 2 . . . A 4 GLN HG3 . 18015 1 51 . 1 1 6 6 GLN HE21 H 1 6.913 0.020 . 2 . . . A 4 GLN HE21 . 18015 1 52 . 1 1 6 6 GLN HE22 H 1 7.646 0.020 . 2 . . . A 4 GLN HE22 . 18015 1 53 . 1 1 6 6 GLN CA C 13 55.571 0.400 . 1 . . . A 4 GLN CA . 18015 1 54 . 1 1 6 6 GLN CB C 13 29.550 0.400 . 1 . . . A 4 GLN CB . 18015 1 55 . 1 1 6 6 GLN CG C 13 34.041 0.400 . 1 . . . A 4 GLN CG . 18015 1 56 . 1 1 6 6 GLN N N 15 122.134 0.400 . 1 . . . A 4 GLN N . 18015 1 57 . 1 1 6 6 GLN NE2 N 15 112.893 0.400 . 1 . . . A 4 GLN NE2 . 18015 1 58 . 1 1 7 7 ARG H H 1 8.631 0.020 . 1 . . . A 5 ARG H . 18015 1 59 . 1 1 7 7 ARG HA H 1 4.285 0.020 . 1 . . . A 5 ARG HA . 18015 1 60 . 1 1 7 7 ARG HB2 H 1 1.695 0.020 . 2 . . . A 5 ARG HB2 . 18015 1 61 . 1 1 7 7 ARG HB3 H 1 1.597 0.020 . 2 . . . A 5 ARG HB3 . 18015 1 62 . 1 1 7 7 ARG HG2 H 1 1.358 0.020 . 2 . . . A 5 ARG HG2 . 18015 1 63 . 1 1 7 7 ARG HG3 H 1 1.665 0.020 . 2 . . . A 5 ARG HG3 . 18015 1 64 . 1 1 7 7 ARG HD2 H 1 2.877 0.020 . 2 . . . A 5 ARG HD2 . 18015 1 65 . 1 1 7 7 ARG HD3 H 1 3.038 0.020 . 2 . . . A 5 ARG HD3 . 18015 1 66 . 1 1 7 7 ARG HE H 1 7.505 0.020 . 1 . . . A 5 ARG HE . 18015 1 67 . 1 1 7 7 ARG N N 15 124.132 0.400 . 1 . . . A 5 ARG N . 18015 1 68 . 1 1 7 7 ARG NE N 15 86.485 0.400 . 1 . . . A 5 ARG NE . 18015 1 69 . 1 1 8 8 THR H H 1 8.036 0.020 . 1 . . . A 6 THR H . 18015 1 70 . 1 1 8 8 THR HA H 1 3.831 0.020 . 1 . . . A 6 THR HA . 18015 1 71 . 1 1 8 8 THR HB H 1 3.509 0.020 . 1 . . . A 6 THR HB . 18015 1 72 . 1 1 8 8 THR HG21 H 1 0.463 0.020 . 1 . . . A 6 THR HG21 . 18015 1 73 . 1 1 8 8 THR HG22 H 1 0.463 0.020 . 1 . . . A 6 THR HG22 . 18015 1 74 . 1 1 8 8 THR HG23 H 1 0.463 0.020 . 1 . . . A 6 THR HG23 . 18015 1 75 . 1 1 8 8 THR CA C 13 64.978 0.400 . 1 . . . A 6 THR CA . 18015 1 76 . 1 1 8 8 THR CB C 13 69.109 0.400 . 1 . . . A 6 THR CB . 18015 1 77 . 1 1 8 8 THR CG2 C 13 20.635 0.400 . 1 . . . A 6 THR CG2 . 18015 1 78 . 1 1 8 8 THR N N 15 125.523 0.400 . 1 . . . A 6 THR N . 18015 1 79 . 1 1 9 9 HIS H H 1 8.690 0.020 . 1 . . . A 7 HIS H . 18015 1 80 . 1 1 9 9 HIS HA H 1 4.761 0.020 . 1 . . . A 7 HIS HA . 18015 1 81 . 1 1 9 9 HIS HB2 H 1 3.181 0.020 . 2 . . . A 7 HIS HB2 . 18015 1 82 . 1 1 9 9 HIS HB3 H 1 3.106 0.020 . 2 . . . A 7 HIS HB3 . 18015 1 83 . 1 1 9 9 HIS HD1 H 1 8.744 0.020 . 1 . . . A 7 HIS HD1 . 18015 1 84 . 1 1 9 9 HIS HD2 H 1 7.206 0.020 . 1 . . . A 7 HIS HD2 . 18015 1 85 . 1 1 9 9 HIS HE1 H 1 8.540 0.020 . 1 . . . A 7 HIS HE1 . 18015 1 86 . 1 1 9 9 HIS CB C 13 28.769 0.400 . 1 . . . A 7 HIS CB . 18015 1 87 . 1 1 9 9 HIS CD2 C 13 119.649 0.400 . 1 . . . A 7 HIS CD2 . 18015 1 88 . 1 1 9 9 HIS CE1 C 13 136.406 0.400 . 1 . . . A 7 HIS CE1 . 18015 1 89 . 1 1 9 9 HIS N N 15 125.571 0.400 . 1 . . . A 7 HIS N . 18015 1 90 . 1 1 10 10 PHE H H 1 8.703 0.020 . 1 . . . A 8 PHE H . 18015 1 91 . 1 1 10 10 PHE HA H 1 4.834 0.020 . 1 . . . A 8 PHE HA . 18015 1 92 . 1 1 10 10 PHE HB2 H 1 2.779 0.020 . 2 . . . A 8 PHE HB2 . 18015 1 93 . 1 1 10 10 PHE HB3 H 1 3.140 0.020 . 2 . . . A 8 PHE HB3 . 18015 1 94 . 1 1 10 10 PHE HD1 H 1 7.362 0.020 . 3 . . . A 8 PHE HD1 . 18015 1 95 . 1 1 10 10 PHE HD2 H 1 7.362 0.020 . 3 . . . A 8 PHE HD2 . 18015 1 96 . 1 1 10 10 PHE HE1 H 1 7.524 0.020 . 3 . . . A 8 PHE HE1 . 18015 1 97 . 1 1 10 10 PHE HE2 H 1 7.524 0.020 . 3 . . . A 8 PHE HE2 . 18015 1 98 . 1 1 10 10 PHE HZ H 1 7.758 0.020 . 1 . . . A 8 PHE HZ . 18015 1 99 . 1 1 10 10 PHE CB C 13 40.533 0.400 . 1 . . . A 8 PHE CB . 18015 1 100 . 1 1 10 10 PHE CD1 C 13 131.415 0.400 . 3 . . . A 8 PHE CD1 . 18015 1 101 . 1 1 10 10 PHE CE1 C 13 131.458 0.400 . 3 . . . A 8 PHE CE1 . 18015 1 102 . 1 1 10 10 PHE CZ C 13 129.322 0.400 . 1 . . . A 8 PHE CZ . 18015 1 103 . 1 1 10 10 PHE N N 15 126.330 0.400 . 1 . . . A 8 PHE N . 18015 1 104 . 1 1 11 11 THR H H 1 9.165 0.020 . 1 . . . A 9 THR H . 18015 1 105 . 1 1 11 11 THR HA H 1 4.542 0.020 . 1 . . . A 9 THR HA . 18015 1 106 . 1 1 11 11 THR HG1 H 1 5.830 0.020 . 1 . . . A 9 THR HG1 . 18015 1 107 . 1 1 11 11 THR HG21 H 1 1.400 0.020 . 1 . . . A 9 THR HG21 . 18015 1 108 . 1 1 11 11 THR HG22 H 1 1.400 0.020 . 1 . . . A 9 THR HG22 . 18015 1 109 . 1 1 11 11 THR HG23 H 1 1.400 0.020 . 1 . . . A 9 THR HG23 . 18015 1 110 . 1 1 11 11 THR CA C 13 60.379 0.400 . 1 . . . A 9 THR CA . 18015 1 111 . 1 1 11 11 THR CG2 C 13 21.797 0.400 . 1 . . . A 9 THR CG2 . 18015 1 112 . 1 1 11 11 THR N N 15 113.642 0.400 . 1 . . . A 9 THR N . 18015 1 113 . 1 1 12 12 SER H H 1 9.188 0.020 . 1 . . . A 10 SER H . 18015 1 114 . 1 1 12 12 SER HA H 1 4.187 0.020 . 1 . . . A 10 SER HA . 18015 1 115 . 1 1 12 12 SER HB2 H 1 3.978 0.020 . 2 . . . A 10 SER HB2 . 18015 1 116 . 1 1 12 12 SER HB3 H 1 3.978 0.020 . 2 . . . A 10 SER HB3 . 18015 1 117 . 1 1 12 12 SER CA C 13 61.887 0.400 . 1 . . . A 10 SER CA . 18015 1 118 . 1 1 12 12 SER CB C 13 62.286 0.400 . 1 . . . A 10 SER CB . 18015 1 119 . 1 1 12 12 SER N N 15 116.602 0.400 . 1 . . . A 10 SER N . 18015 1 120 . 1 1 13 13 GLN H H 1 8.415 0.020 . 1 . . . A 11 GLN H . 18015 1 121 . 1 1 13 13 GLN HA H 1 4.053 0.020 . 1 . . . A 11 GLN HA . 18015 1 122 . 1 1 13 13 GLN HB2 H 1 2.153 0.020 . 2 . . . A 11 GLN HB2 . 18015 1 123 . 1 1 13 13 GLN HB3 H 1 1.990 0.020 . 2 . . . A 11 GLN HB3 . 18015 1 124 . 1 1 13 13 GLN HG2 H 1 2.464 0.020 . 2 . . . A 11 GLN HG2 . 18015 1 125 . 1 1 13 13 GLN HG3 H 1 2.464 0.020 . 2 . . . A 11 GLN HG3 . 18015 1 126 . 1 1 13 13 GLN HE21 H 1 7.666 0.020 . 2 . . . A 11 GLN HE21 . 18015 1 127 . 1 1 13 13 GLN HE22 H 1 6.795 0.020 . 2 . . . A 11 GLN HE22 . 18015 1 128 . 1 1 13 13 GLN CA C 13 59.578 0.400 . 1 . . . A 11 GLN CA . 18015 1 129 . 1 1 13 13 GLN CB C 13 27.914 0.400 . 1 . . . A 11 GLN CB . 18015 1 130 . 1 1 13 13 GLN CG C 13 33.805 0.400 . 1 . . . A 11 GLN CG . 18015 1 131 . 1 1 13 13 GLN N N 15 120.969 0.400 . 1 . . . A 11 GLN N . 18015 1 132 . 1 1 13 13 GLN NE2 N 15 111.979 0.400 . 1 . . . A 11 GLN NE2 . 18015 1 133 . 1 1 14 14 GLN H H 1 7.799 0.020 . 1 . . . A 12 GLN H . 18015 1 134 . 1 1 14 14 GLN HA H 1 3.833 0.020 . 1 . . . A 12 GLN HA . 18015 1 135 . 1 1 14 14 GLN HB2 H 1 2.679 0.020 . 2 . . . A 12 GLN HB2 . 18015 1 136 . 1 1 14 14 GLN HB3 H 1 1.627 0.020 . 2 . . . A 12 GLN HB3 . 18015 1 137 . 1 1 14 14 GLN HG2 H 1 2.674 0.020 . 2 . . . A 12 GLN HG2 . 18015 1 138 . 1 1 14 14 GLN HG3 H 1 2.684 0.020 . 2 . . . A 12 GLN HG3 . 18015 1 139 . 1 1 14 14 GLN HE21 H 1 6.724 0.020 . 2 . . . A 12 GLN HE21 . 18015 1 140 . 1 1 14 14 GLN HE22 H 1 8.001 0.020 . 2 . . . A 12 GLN HE22 . 18015 1 141 . 1 1 14 14 GLN CA C 13 59.436 0.400 . 1 . . . A 12 GLN CA . 18015 1 142 . 1 1 14 14 GLN CB C 13 27.965 0.400 . 1 . . . A 12 GLN CB . 18015 1 143 . 1 1 14 14 GLN CG C 13 34.911 0.400 . 1 . . . A 12 GLN CG . 18015 1 144 . 1 1 14 14 GLN N N 15 119.255 0.400 . 1 . . . A 12 GLN N . 18015 1 145 . 1 1 14 14 GLN NE2 N 15 110.679 0.400 . 1 . . . A 12 GLN NE2 . 18015 1 146 . 1 1 15 15 LEU H H 1 8.299 0.020 . 1 . . . A 13 LEU H . 18015 1 147 . 1 1 15 15 LEU HA H 1 3.616 0.020 . 1 . . . A 13 LEU HA . 18015 1 148 . 1 1 15 15 LEU HB2 H 1 1.815 0.020 . 2 . . . A 13 LEU HB2 . 18015 1 149 . 1 1 15 15 LEU HB3 H 1 1.541 0.020 . 2 . . . A 13 LEU HB3 . 18015 1 150 . 1 1 15 15 LEU HG H 1 1.677 0.020 . 1 . . . A 13 LEU HG . 18015 1 151 . 1 1 15 15 LEU HD11 H 1 0.955 0.020 . 2 . . . A 13 LEU HD11 . 18015 1 152 . 1 1 15 15 LEU HD12 H 1 0.955 0.020 . 2 . . . A 13 LEU HD12 . 18015 1 153 . 1 1 15 15 LEU HD13 H 1 0.955 0.020 . 2 . . . A 13 LEU HD13 . 18015 1 154 . 1 1 15 15 LEU HD21 H 1 0.808 0.020 . 2 . . . A 13 LEU HD21 . 18015 1 155 . 1 1 15 15 LEU HD22 H 1 0.808 0.020 . 2 . . . A 13 LEU HD22 . 18015 1 156 . 1 1 15 15 LEU HD23 H 1 0.808 0.020 . 2 . . . A 13 LEU HD23 . 18015 1 157 . 1 1 15 15 LEU CA C 13 57.893 0.400 . 1 . . . A 13 LEU CA . 18015 1 158 . 1 1 15 15 LEU CB C 13 41.606 0.400 . 1 . . . A 13 LEU CB . 18015 1 159 . 1 1 15 15 LEU CG C 13 26.943 0.400 . 1 . . . A 13 LEU CG . 18015 1 160 . 1 1 15 15 LEU CD1 C 13 25.389 0.400 . 2 . . . A 13 LEU CD1 . 18015 1 161 . 1 1 15 15 LEU CD2 C 13 23.269 0.400 . 2 . . . A 13 LEU CD2 . 18015 1 162 . 1 1 15 15 LEU N N 15 117.041 0.400 . 1 . . . A 13 LEU N . 18015 1 163 . 1 1 16 16 GLN H H 1 8.160 0.020 . 1 . . . A 14 GLN H . 18015 1 164 . 1 1 16 16 GLN HA H 1 3.992 0.020 . 1 . . . A 14 GLN HA . 18015 1 165 . 1 1 16 16 GLN HB2 H 1 2.204 0.020 . 2 . . . A 14 GLN HB2 . 18015 1 166 . 1 1 16 16 GLN HB3 H 1 2.142 0.020 . 2 . . . A 14 GLN HB3 . 18015 1 167 . 1 1 16 16 GLN HG2 H 1 2.503 0.020 . 2 . . . A 14 GLN HG2 . 18015 1 168 . 1 1 16 16 GLN HG3 H 1 2.393 0.020 . 2 . . . A 14 GLN HG3 . 18015 1 169 . 1 1 16 16 GLN HE21 H 1 6.836 0.020 . 2 . . . A 14 GLN HE21 . 18015 1 170 . 1 1 16 16 GLN HE22 H 1 7.485 0.020 . 2 . . . A 14 GLN HE22 . 18015 1 171 . 1 1 16 16 GLN CA C 13 59.157 0.400 . 1 . . . A 14 GLN CA . 18015 1 172 . 1 1 16 16 GLN CB C 13 28.507 0.400 . 1 . . . A 14 GLN CB . 18015 1 173 . 1 1 16 16 GLN CG C 13 34.099 0.400 . 1 . . . A 14 GLN CG . 18015 1 174 . 1 1 16 16 GLN N N 15 118.025 0.400 . 1 . . . A 14 GLN N . 18015 1 175 . 1 1 16 16 GLN NE2 N 15 111.654 0.400 . 1 . . . A 14 GLN NE2 . 18015 1 176 . 1 1 17 17 GLU H H 1 7.582 0.020 . 1 . . . A 15 GLU H . 18015 1 177 . 1 1 17 17 GLU HA H 1 4.181 0.020 . 1 . . . A 15 GLU HA . 18015 1 178 . 1 1 17 17 GLU HB2 H 1 2.013 0.020 . 2 . . . A 15 GLU HB2 . 18015 1 179 . 1 1 17 17 GLU HB3 H 1 1.852 0.020 . 2 . . . A 15 GLU HB3 . 18015 1 180 . 1 1 17 17 GLU HG2 H 1 2.341 0.020 . 2 . . . A 15 GLU HG2 . 18015 1 181 . 1 1 17 17 GLU HG3 H 1 2.244 0.020 . 2 . . . A 15 GLU HG3 . 18015 1 182 . 1 1 17 17 GLU CA C 13 58.538 0.400 . 1 . . . A 15 GLU CA . 18015 1 183 . 1 1 17 17 GLU CB C 13 29.450 0.400 . 1 . . . A 15 GLU CB . 18015 1 184 . 1 1 17 17 GLU CG C 13 35.434 0.400 . 1 . . . A 15 GLU CG . 18015 1 185 . 1 1 17 17 GLU N N 15 119.789 0.400 . 1 . . . A 15 GLU N . 18015 1 186 . 1 1 18 18 LEU H H 1 8.313 0.020 . 1 . . . A 16 LEU H . 18015 1 187 . 1 1 18 18 LEU HA H 1 3.513 0.020 . 1 . . . A 16 LEU HA . 18015 1 188 . 1 1 18 18 LEU HB2 H 1 0.479 0.020 . 2 . . . A 16 LEU HB2 . 18015 1 189 . 1 1 18 18 LEU HB3 H 1 -1.204 0.020 . 2 . . . A 16 LEU HB3 . 18015 1 190 . 1 1 18 18 LEU HG H 1 1.148 0.020 . 1 . . . A 16 LEU HG . 18015 1 191 . 1 1 18 18 LEU HD11 H 1 -0.801 0.020 . 2 . . . A 16 LEU HD11 . 18015 1 192 . 1 1 18 18 LEU HD12 H 1 -0.801 0.020 . 2 . . . A 16 LEU HD12 . 18015 1 193 . 1 1 18 18 LEU HD13 H 1 -0.801 0.020 . 2 . . . A 16 LEU HD13 . 18015 1 194 . 1 1 18 18 LEU HD21 H 1 0.424 0.020 . 2 . . . A 16 LEU HD21 . 18015 1 195 . 1 1 18 18 LEU HD22 H 1 0.424 0.020 . 2 . . . A 16 LEU HD22 . 18015 1 196 . 1 1 18 18 LEU HD23 H 1 0.424 0.020 . 2 . . . A 16 LEU HD23 . 18015 1 197 . 1 1 18 18 LEU CA C 13 58.570 0.400 . 1 . . . A 16 LEU CA . 18015 1 198 . 1 1 18 18 LEU CB C 13 37.866 0.400 . 1 . . . A 16 LEU CB . 18015 1 199 . 1 1 18 18 LEU CG C 13 26.168 0.400 . 1 . . . A 16 LEU CG . 18015 1 200 . 1 1 18 18 LEU CD1 C 13 22.844 0.400 . 2 . . . A 16 LEU CD1 . 18015 1 201 . 1 1 18 18 LEU CD2 C 13 22.439 0.400 . 2 . . . A 16 LEU CD2 . 18015 1 202 . 1 1 18 18 LEU N N 15 123.483 0.400 . 1 . . . A 16 LEU N . 18015 1 203 . 1 1 19 19 GLU H H 1 8.257 0.020 . 1 . . . A 17 GLU H . 18015 1 204 . 1 1 19 19 GLU HA H 1 4.405 0.020 . 1 . . . A 17 GLU HA . 18015 1 205 . 1 1 19 19 GLU HB2 H 1 1.970 0.020 . 2 . . . A 17 GLU HB2 . 18015 1 206 . 1 1 19 19 GLU HB3 H 1 2.182 0.020 . 2 . . . A 17 GLU HB3 . 18015 1 207 . 1 1 19 19 GLU HG2 H 1 2.359 0.020 . 2 . . . A 17 GLU HG2 . 18015 1 208 . 1 1 19 19 GLU HG3 H 1 2.523 0.020 . 2 . . . A 17 GLU HG3 . 18015 1 209 . 1 1 19 19 GLU CA C 13 58.930 0.400 . 1 . . . A 17 GLU CA . 18015 1 210 . 1 1 19 19 GLU CG C 13 34.095 0.400 . 1 . . . A 17 GLU CG . 18015 1 211 . 1 1 19 19 GLU N N 15 119.146 0.400 . 1 . . . A 17 GLU N . 18015 1 212 . 1 1 20 20 ALA H H 1 7.954 0.020 . 1 . . . A 18 ALA H . 18015 1 213 . 1 1 20 20 ALA HA H 1 4.180 0.020 . 1 . . . A 18 ALA HA . 18015 1 214 . 1 1 20 20 ALA HB1 H 1 1.544 0.020 . 1 . . . A 18 ALA HB1 . 18015 1 215 . 1 1 20 20 ALA HB2 H 1 1.544 0.020 . 1 . . . A 18 ALA HB2 . 18015 1 216 . 1 1 20 20 ALA HB3 H 1 1.544 0.020 . 1 . . . A 18 ALA HB3 . 18015 1 217 . 1 1 20 20 ALA CA C 13 55.184 0.400 . 1 . . . A 18 ALA CA . 18015 1 218 . 1 1 20 20 ALA CB C 13 18.014 0.400 . 1 . . . A 18 ALA CB . 18015 1 219 . 1 1 20 20 ALA N N 15 120.611 0.400 . 1 . . . A 18 ALA N . 18015 1 220 . 1 1 21 21 THR H H 1 7.940 0.020 . 1 . . . A 19 THR H . 18015 1 221 . 1 1 21 21 THR HA H 1 4.103 0.020 . 1 . . . A 19 THR HA . 18015 1 222 . 1 1 21 21 THR HB H 1 4.579 0.020 . 1 . . . A 19 THR HB . 18015 1 223 . 1 1 21 21 THR HG1 H 1 5.355 0.020 . 1 . . . A 19 THR HG1 . 18015 1 224 . 1 1 21 21 THR HG21 H 1 1.496 0.020 . 1 . . . A 19 THR HG21 . 18015 1 225 . 1 1 21 21 THR HG22 H 1 1.496 0.020 . 1 . . . A 19 THR HG22 . 18015 1 226 . 1 1 21 21 THR HG23 H 1 1.496 0.020 . 1 . . . A 19 THR HG23 . 18015 1 227 . 1 1 21 21 THR CA C 13 66.956 0.400 . 1 . . . A 19 THR CA . 18015 1 228 . 1 1 21 21 THR CB C 13 68.338 0.400 . 1 . . . A 19 THR CB . 18015 1 229 . 1 1 21 21 THR CG2 C 13 21.820 0.400 . 1 . . . A 19 THR CG2 . 18015 1 230 . 1 1 21 21 THR N N 15 113.517 0.400 . 1 . . . A 19 THR N . 18015 1 231 . 1 1 22 22 PHE H H 1 8.839 0.020 . 1 . . . A 20 PHE H . 18015 1 232 . 1 1 22 22 PHE HA H 1 4.373 0.020 . 1 . . . A 20 PHE HA . 18015 1 233 . 1 1 22 22 PHE HB2 H 1 3.377 0.020 . 2 . . . A 20 PHE HB2 . 18015 1 234 . 1 1 22 22 PHE HB3 H 1 3.237 0.020 . 2 . . . A 20 PHE HB3 . 18015 1 235 . 1 1 22 22 PHE HD1 H 1 7.188 0.020 . 3 . . . A 20 PHE HD1 . 18015 1 236 . 1 1 22 22 PHE HD2 H 1 7.188 0.020 . 3 . . . A 20 PHE HD2 . 18015 1 237 . 1 1 22 22 PHE HE1 H 1 7.035 0.020 . 3 . . . A 20 PHE HE1 . 18015 1 238 . 1 1 22 22 PHE HE2 H 1 7.035 0.020 . 3 . . . A 20 PHE HE2 . 18015 1 239 . 1 1 22 22 PHE HZ H 1 6.527 0.020 . 1 . . . A 20 PHE HZ . 18015 1 240 . 1 1 22 22 PHE CA C 13 61.742 0.400 . 1 . . . A 20 PHE CA . 18015 1 241 . 1 1 22 22 PHE CD1 C 13 132.560 0.400 . 3 . . . A 20 PHE CD1 . 18015 1 242 . 1 1 22 22 PHE CE1 C 13 130.465 0.400 . 3 . . . A 20 PHE CE1 . 18015 1 243 . 1 1 22 22 PHE CZ C 13 128.357 0.400 . 1 . . . A 20 PHE CZ . 18015 1 244 . 1 1 22 22 PHE N N 15 125.431 0.400 . 1 . . . A 20 PHE N . 18015 1 245 . 1 1 23 23 GLN H H 1 7.921 0.020 . 1 . . . A 21 GLN H . 18015 1 246 . 1 1 23 23 GLN HA H 1 3.806 0.020 . 1 . . . A 21 GLN HA . 18015 1 247 . 1 1 23 23 GLN HB2 H 1 2.270 0.020 . 2 . . . A 21 GLN HB2 . 18015 1 248 . 1 1 23 23 GLN HB3 H 1 2.105 0.020 . 2 . . . A 21 GLN HB3 . 18015 1 249 . 1 1 23 23 GLN HG2 H 1 2.776 0.020 . 2 . . . A 21 GLN HG2 . 18015 1 250 . 1 1 23 23 GLN HG3 H 1 2.680 0.020 . 2 . . . A 21 GLN HG3 . 18015 1 251 . 1 1 23 23 GLN HE21 H 1 7.106 0.020 . 2 . . . A 21 GLN HE21 . 18015 1 252 . 1 1 23 23 GLN HE22 H 1 7.937 0.020 . 2 . . . A 21 GLN HE22 . 18015 1 253 . 1 1 23 23 GLN CA C 13 57.406 0.400 . 1 . . . A 21 GLN CA . 18015 1 254 . 1 1 23 23 GLN CB C 13 28.151 0.400 . 1 . . . A 21 GLN CB . 18015 1 255 . 1 1 23 23 GLN CG C 13 33.705 0.400 . 1 . . . A 21 GLN CG . 18015 1 256 . 1 1 23 23 GLN N N 15 112.304 0.400 . 1 . . . A 21 GLN N . 18015 1 257 . 1 1 23 23 GLN NE2 N 15 113.480 0.400 . 1 . . . A 21 GLN NE2 . 18015 1 258 . 1 1 24 24 ARG H H 1 7.408 0.020 . 1 . . . A 22 ARG H . 18015 1 259 . 1 1 24 24 ARG HA H 1 4.364 0.020 . 1 . . . A 22 ARG HA . 18015 1 260 . 1 1 24 24 ARG HB2 H 1 1.925 0.020 . 2 . . . A 22 ARG HB2 . 18015 1 261 . 1 1 24 24 ARG HB3 H 1 1.982 0.020 . 2 . . . A 22 ARG HB3 . 18015 1 262 . 1 1 24 24 ARG HG2 H 1 1.798 0.020 . 2 . . . A 22 ARG HG2 . 18015 1 263 . 1 1 24 24 ARG HG3 H 1 1.679 0.020 . 2 . . . A 22 ARG HG3 . 18015 1 264 . 1 1 24 24 ARG HD2 H 1 3.251 0.020 . 2 . . . A 22 ARG HD2 . 18015 1 265 . 1 1 24 24 ARG HD3 H 1 3.251 0.020 . 2 . . . A 22 ARG HD3 . 18015 1 266 . 1 1 24 24 ARG HE H 1 7.295 0.020 . 1 . . . A 22 ARG HE . 18015 1 267 . 1 1 24 24 ARG CA C 13 57.145 0.400 . 1 . . . A 22 ARG CA . 18015 1 268 . 1 1 24 24 ARG CB C 13 31.565 0.400 . 1 . . . A 22 ARG CB . 18015 1 269 . 1 1 24 24 ARG CG C 13 27.584 0.400 . 1 . . . A 22 ARG CG . 18015 1 270 . 1 1 24 24 ARG CD C 13 43.514 0.400 . 1 . . . A 22 ARG CD . 18015 1 271 . 1 1 24 24 ARG N N 15 116.707 0.400 . 1 . . . A 22 ARG N . 18015 1 272 . 1 1 24 24 ARG NE N 15 84.576 0.400 . 1 . . . A 22 ARG NE . 18015 1 273 . 1 1 25 25 ASN H H 1 8.251 0.020 . 1 . . . A 23 ASN H . 18015 1 274 . 1 1 25 25 ASN HA H 1 4.483 0.020 . 1 . . . A 23 ASN HA . 18015 1 275 . 1 1 25 25 ASN HB2 H 1 2.743 0.020 . 2 . . . A 23 ASN HB2 . 18015 1 276 . 1 1 25 25 ASN HB3 H 1 2.743 0.020 . 2 . . . A 23 ASN HB3 . 18015 1 277 . 1 1 25 25 ASN HD21 H 1 6.616 0.020 . 2 . . . A 23 ASN HD21 . 18015 1 278 . 1 1 25 25 ASN HD22 H 1 7.538 0.020 . 2 . . . A 23 ASN HD22 . 18015 1 279 . 1 1 25 25 ASN CA C 13 52.834 0.400 . 1 . . . A 23 ASN CA . 18015 1 280 . 1 1 25 25 ASN CB C 13 38.563 0.400 . 1 . . . A 23 ASN CB . 18015 1 281 . 1 1 25 25 ASN N N 15 119.274 0.400 . 1 . . . A 23 ASN N . 18015 1 282 . 1 1 25 25 ASN ND2 N 15 108.572 0.400 . 1 . . . A 23 ASN ND2 . 18015 1 283 . 1 1 26 26 ARG H H 1 8.400 0.020 . 1 . . . A 24 ARG H . 18015 1 284 . 1 1 26 26 ARG HA H 1 3.800 0.020 . 1 . . . A 24 ARG HA . 18015 1 285 . 1 1 26 26 ARG HB2 H 1 1.280 0.020 . 2 . . . A 24 ARG HB2 . 18015 1 286 . 1 1 26 26 ARG HB3 H 1 0.902 0.020 . 2 . . . A 24 ARG HB3 . 18015 1 287 . 1 1 26 26 ARG HG2 H 1 0.931 0.020 . 2 . . . A 24 ARG HG2 . 18015 1 288 . 1 1 26 26 ARG HG3 H 1 -0.293 0.020 . 2 . . . A 24 ARG HG3 . 18015 1 289 . 1 1 26 26 ARG HD2 H 1 1.709 0.020 . 2 . . . A 24 ARG HD2 . 18015 1 290 . 1 1 26 26 ARG HD3 H 1 1.627 0.020 . 2 . . . A 24 ARG HD3 . 18015 1 291 . 1 1 26 26 ARG HE H 1 6.369 0.020 . 1 . . . A 24 ARG HE . 18015 1 292 . 1 1 26 26 ARG CA C 13 57.646 0.400 . 1 . . . A 24 ARG CA . 18015 1 293 . 1 1 26 26 ARG CB C 13 31.003 0.400 . 1 . . . A 24 ARG CB . 18015 1 294 . 1 1 26 26 ARG CG C 13 27.148 0.400 . 1 . . . A 24 ARG CG . 18015 1 295 . 1 1 26 26 ARG CD C 13 42.635 0.400 . 1 . . . A 24 ARG CD . 18015 1 296 . 1 1 26 26 ARG N N 15 121.408 0.400 . 1 . . . A 24 ARG N . 18015 1 297 . 1 1 26 26 ARG NE N 15 83.695 0.400 . 1 . . . A 24 ARG NE . 18015 1 298 . 1 1 27 27 TYR H H 1 7.734 0.020 . 1 . . . A 25 TYR H . 18015 1 299 . 1 1 27 27 TYR HA H 1 4.658 0.020 . 1 . . . A 25 TYR HA . 18015 1 300 . 1 1 27 27 TYR HB2 H 1 2.560 0.020 . 2 . . . A 25 TYR HB2 . 18015 1 301 . 1 1 27 27 TYR HB3 H 1 3.136 0.020 . 2 . . . A 25 TYR HB3 . 18015 1 302 . 1 1 27 27 TYR HD1 H 1 7.077 0.020 . 3 . . . A 25 TYR HD1 . 18015 1 303 . 1 1 27 27 TYR HD2 H 1 7.077 0.020 . 3 . . . A 25 TYR HD2 . 18015 1 304 . 1 1 27 27 TYR HE1 H 1 6.805 0.020 . 3 . . . A 25 TYR HE1 . 18015 1 305 . 1 1 27 27 TYR HE2 H 1 6.805 0.020 . 3 . . . A 25 TYR HE2 . 18015 1 306 . 1 1 27 27 TYR CA C 13 55.691 0.400 . 1 . . . A 25 TYR CA . 18015 1 307 . 1 1 27 27 TYR CB C 13 39.135 0.400 . 1 . . . A 25 TYR CB . 18015 1 308 . 1 1 27 27 TYR CD2 C 13 133.508 0.400 . 3 . . . A 25 TYR CD2 . 18015 1 309 . 1 1 27 27 TYR CE2 C 13 117.782 0.400 . 3 . . . A 25 TYR CE2 . 18015 1 310 . 1 1 27 27 TYR N N 15 113.992 0.400 . 1 . . . A 25 TYR N . 18015 1 311 . 1 1 28 28 PRO HA H 1 4.411 0.020 . 1 . . . A 26 PRO HA . 18015 1 312 . 1 1 28 28 PRO HB2 H 1 1.420 0.020 . 2 . . . A 26 PRO HB2 . 18015 1 313 . 1 1 28 28 PRO HB3 H 1 1.568 0.020 . 2 . . . A 26 PRO HB3 . 18015 1 314 . 1 1 28 28 PRO HG2 H 1 1.139 0.020 . 2 . . . A 26 PRO HG2 . 18015 1 315 . 1 1 28 28 PRO HG3 H 1 -0.124 0.020 . 2 . . . A 26 PRO HG3 . 18015 1 316 . 1 1 28 28 PRO HD2 H 1 2.864 0.020 . 2 . . . A 26 PRO HD2 . 18015 1 317 . 1 1 28 28 PRO HD3 H 1 2.962 0.020 . 2 . . . A 26 PRO HD3 . 18015 1 318 . 1 1 28 28 PRO CA C 13 62.665 0.400 . 1 . . . A 26 PRO CA . 18015 1 319 . 1 1 28 28 PRO CB C 13 31.053 0.400 . 1 . . . A 26 PRO CB . 18015 1 320 . 1 1 28 28 PRO CG C 13 25.672 0.400 . 1 . . . A 26 PRO CG . 18015 1 321 . 1 1 28 28 PRO CD C 13 50.694 0.400 . 1 . . . A 26 PRO CD . 18015 1 322 . 1 1 29 29 ASP H H 1 8.467 0.020 . 1 . . . A 27 ASP H . 18015 1 323 . 1 1 29 29 ASP HA H 1 4.494 0.020 . 1 . . . A 27 ASP HA . 18015 1 324 . 1 1 29 29 ASP HB2 H 1 3.232 0.020 . 2 . . . A 27 ASP HB2 . 18015 1 325 . 1 1 29 29 ASP HB3 H 1 2.830 0.020 . 2 . . . A 27 ASP HB3 . 18015 1 326 . 1 1 29 29 ASP CA C 13 52.530 0.400 . 1 . . . A 27 ASP CA . 18015 1 327 . 1 1 29 29 ASP CB C 13 40.573 0.400 . 1 . . . A 27 ASP CB . 18015 1 328 . 1 1 29 29 ASP N N 15 124.189 0.400 . 1 . . . A 27 ASP N . 18015 1 329 . 1 1 30 30 MET H H 1 8.687 0.020 . 1 . . . A 28 MET H . 18015 1 330 . 1 1 30 30 MET HA H 1 3.861 0.020 . 1 . . . A 28 MET HA . 18015 1 331 . 1 1 30 30 MET HB2 H 1 2.591 0.020 . 2 . . . A 28 MET HB2 . 18015 1 332 . 1 1 30 30 MET HB3 H 1 2.450 0.020 . 2 . . . A 28 MET HB3 . 18015 1 333 . 1 1 30 30 MET HG2 H 1 2.125 0.020 . 2 . . . A 28 MET HG2 . 18015 1 334 . 1 1 30 30 MET HG3 H 1 2.125 0.020 . 2 . . . A 28 MET HG3 . 18015 1 335 . 1 1 30 30 MET HE1 H 1 2.071 0.020 . 1 . . . A 28 MET HE1 . 18015 1 336 . 1 1 30 30 MET HE2 H 1 2.071 0.020 . 1 . . . A 28 MET HE2 . 18015 1 337 . 1 1 30 30 MET HE3 H 1 2.071 0.020 . 1 . . . A 28 MET HE3 . 18015 1 338 . 1 1 30 30 MET CA C 13 60.361 0.400 . 1 . . . A 28 MET CA . 18015 1 339 . 1 1 30 30 MET CB C 13 32.022 0.400 . 1 . . . A 28 MET CB . 18015 1 340 . 1 1 30 30 MET CG C 13 32.043 0.400 . 1 . . . A 28 MET CG . 18015 1 341 . 1 1 30 30 MET N N 15 119.367 0.400 . 1 . . . A 28 MET N . 18015 1 342 . 1 1 31 31 SER H H 1 8.387 0.020 . 1 . . . A 29 SER H . 18015 1 343 . 1 1 31 31 SER HA H 1 4.245 0.020 . 1 . . . A 29 SER HA . 18015 1 344 . 1 1 31 31 SER HB2 H 1 3.899 0.020 . 2 . . . A 29 SER HB2 . 18015 1 345 . 1 1 31 31 SER HB3 H 1 3.899 0.020 . 2 . . . A 29 SER HB3 . 18015 1 346 . 1 1 31 31 SER CA C 13 61.815 0.400 . 1 . . . A 29 SER CA . 18015 1 347 . 1 1 31 31 SER CB C 13 62.447 0.400 . 1 . . . A 29 SER CB . 18015 1 348 . 1 1 31 31 SER N N 15 113.279 0.400 . 1 . . . A 29 SER N . 18015 1 349 . 1 1 32 32 THR H H 1 8.406 0.020 . 1 . . . A 30 THR H . 18015 1 350 . 1 1 32 32 THR HA H 1 4.004 0.020 . 1 . . . A 30 THR HA . 18015 1 351 . 1 1 32 32 THR HB H 1 4.176 0.020 . 1 . . . A 30 THR HB . 18015 1 352 . 1 1 32 32 THR HG21 H 1 1.156 0.020 . 1 . . . A 30 THR HG21 . 18015 1 353 . 1 1 32 32 THR HG22 H 1 1.156 0.020 . 1 . . . A 30 THR HG22 . 18015 1 354 . 1 1 32 32 THR HG23 H 1 1.156 0.020 . 1 . . . A 30 THR HG23 . 18015 1 355 . 1 1 32 32 THR CA C 13 66.957 0.400 . 1 . . . A 30 THR CA . 18015 1 356 . 1 1 32 32 THR CB C 13 67.626 0.400 . 1 . . . A 30 THR CB . 18015 1 357 . 1 1 32 32 THR CG2 C 13 20.933 0.400 . 1 . . . A 30 THR CG2 . 18015 1 358 . 1 1 32 32 THR N N 15 120.829 0.400 . 1 . . . A 30 THR N . 18015 1 359 . 1 1 33 33 ARG H H 1 8.955 0.020 . 1 . . . A 31 ARG H . 18015 1 360 . 1 1 33 33 ARG HA H 1 3.870 0.020 . 1 . . . A 31 ARG HA . 18015 1 361 . 1 1 33 33 ARG HB2 H 1 2.444 0.020 . 2 . . . A 31 ARG HB2 . 18015 1 362 . 1 1 33 33 ARG HB3 H 1 2.106 0.020 . 2 . . . A 31 ARG HB3 . 18015 1 363 . 1 1 33 33 ARG HG2 H 1 0.647 0.020 . 2 . . . A 31 ARG HG2 . 18015 1 364 . 1 1 33 33 ARG HG3 H 1 0.647 0.020 . 2 . . . A 31 ARG HG3 . 18015 1 365 . 1 1 33 33 ARG HD2 H 1 3.498 0.020 . 2 . . . A 31 ARG HD2 . 18015 1 366 . 1 1 33 33 ARG HD3 H 1 2.743 0.020 . 2 . . . A 31 ARG HD3 . 18015 1 367 . 1 1 33 33 ARG HE H 1 9.343 0.020 . 1 . . . A 31 ARG HE . 18015 1 368 . 1 1 33 33 ARG CA C 13 61.158 0.400 . 1 . . . A 31 ARG CA . 18015 1 369 . 1 1 33 33 ARG CB C 13 32.455 0.400 . 1 . . . A 31 ARG CB . 18015 1 370 . 1 1 33 33 ARG CG C 13 29.762 0.400 . 1 . . . A 31 ARG CG . 18015 1 371 . 1 1 33 33 ARG CD C 13 43.552 0.400 . 1 . . . A 31 ARG CD . 18015 1 372 . 1 1 33 33 ARG N N 15 120.944 0.400 . 1 . . . A 31 ARG N . 18015 1 373 . 1 1 33 33 ARG NE N 15 80.612 0.400 . 1 . . . A 31 ARG NE . 18015 1 374 . 1 1 34 34 GLU H H 1 8.608 0.020 . 1 . . . A 32 GLU H . 18015 1 375 . 1 1 34 34 GLU HA H 1 3.993 0.020 . 1 . . . A 32 GLU HA . 18015 1 376 . 1 1 34 34 GLU HB2 H 1 2.303 0.020 . 2 . . . A 32 GLU HB2 . 18015 1 377 . 1 1 34 34 GLU HB3 H 1 2.042 0.020 . 2 . . . A 32 GLU HB3 . 18015 1 378 . 1 1 34 34 GLU HG2 H 1 2.569 0.020 . 2 . . . A 32 GLU HG2 . 18015 1 379 . 1 1 34 34 GLU HG3 H 1 2.216 0.020 . 2 . . . A 32 GLU HG3 . 18015 1 380 . 1 1 34 34 GLU CA C 13 59.831 0.400 . 1 . . . A 32 GLU CA . 18015 1 381 . 1 1 34 34 GLU CB C 13 29.233 0.400 . 1 . . . A 32 GLU CB . 18015 1 382 . 1 1 34 34 GLU CG C 13 36.666 0.400 . 1 . . . A 32 GLU CG . 18015 1 383 . 1 1 34 34 GLU N N 15 118.711 0.400 . 1 . . . A 32 GLU N . 18015 1 384 . 1 1 35 35 GLU H H 1 7.639 0.020 . 1 . . . A 33 GLU H . 18015 1 385 . 1 1 35 35 GLU HA H 1 3.997 0.020 . 1 . . . A 33 GLU HA . 18015 1 386 . 1 1 35 35 GLU HB2 H 1 2.176 0.020 . 2 . . . A 33 GLU HB2 . 18015 1 387 . 1 1 35 35 GLU HB3 H 1 2.021 0.020 . 2 . . . A 33 GLU HB3 . 18015 1 388 . 1 1 35 35 GLU HG2 H 1 2.338 0.020 . 2 . . . A 33 GLU HG2 . 18015 1 389 . 1 1 35 35 GLU HG3 H 1 2.039 0.020 . 2 . . . A 33 GLU HG3 . 18015 1 390 . 1 1 35 35 GLU CA C 13 59.692 0.400 . 1 . . . A 33 GLU CA . 18015 1 391 . 1 1 35 35 GLU CB C 13 29.352 0.400 . 1 . . . A 33 GLU CB . 18015 1 392 . 1 1 35 35 GLU CG C 13 36.403 0.400 . 1 . . . A 33 GLU CG . 18015 1 393 . 1 1 35 35 GLU N N 15 121.133 0.400 . 1 . . . A 33 GLU N . 18015 1 394 . 1 1 36 36 ILE H H 1 8.415 0.020 . 1 . . . A 34 ILE H . 18015 1 395 . 1 1 36 36 ILE HA H 1 3.631 0.020 . 1 . . . A 34 ILE HA . 18015 1 396 . 1 1 36 36 ILE HB H 1 1.907 0.020 . 1 . . . A 34 ILE HB . 18015 1 397 . 1 1 36 36 ILE HG12 H 1 1.164 0.020 . 2 . . . A 34 ILE HG12 . 18015 1 398 . 1 1 36 36 ILE HG13 H 1 1.890 0.020 . 2 . . . A 34 ILE HG13 . 18015 1 399 . 1 1 36 36 ILE HG21 H 1 0.948 0.020 . 1 . . . A 34 ILE HG21 . 18015 1 400 . 1 1 36 36 ILE HG22 H 1 0.948 0.020 . 1 . . . A 34 ILE HG22 . 18015 1 401 . 1 1 36 36 ILE HG23 H 1 0.948 0.020 . 1 . . . A 34 ILE HG23 . 18015 1 402 . 1 1 36 36 ILE HD11 H 1 0.858 0.020 . 1 . . . A 34 ILE HD11 . 18015 1 403 . 1 1 36 36 ILE HD12 H 1 0.858 0.020 . 1 . . . A 34 ILE HD12 . 18015 1 404 . 1 1 36 36 ILE HD13 H 1 0.858 0.020 . 1 . . . A 34 ILE HD13 . 18015 1 405 . 1 1 36 36 ILE CA C 13 64.728 0.400 . 1 . . . A 34 ILE CA . 18015 1 406 . 1 1 36 36 ILE CB C 13 38.531 0.400 . 1 . . . A 34 ILE CB . 18015 1 407 . 1 1 36 36 ILE CG1 C 13 28.419 0.400 . 1 . . . A 34 ILE CG1 . 18015 1 408 . 1 1 36 36 ILE CG2 C 13 18.462 0.400 . 1 . . . A 34 ILE CG2 . 18015 1 409 . 1 1 36 36 ILE CD1 C 13 14.960 0.400 . 1 . . . A 34 ILE CD1 . 18015 1 410 . 1 1 36 36 ILE N N 15 119.761 0.400 . 1 . . . A 34 ILE N . 18015 1 411 . 1 1 37 37 ALA H H 1 8.551 0.020 . 1 . . . A 35 ALA H . 18015 1 412 . 1 1 37 37 ALA HA H 1 3.681 0.020 . 1 . . . A 35 ALA HA . 18015 1 413 . 1 1 37 37 ALA HB1 H 1 1.378 0.020 . 1 . . . A 35 ALA HB1 . 18015 1 414 . 1 1 37 37 ALA HB2 H 1 1.378 0.020 . 1 . . . A 35 ALA HB2 . 18015 1 415 . 1 1 37 37 ALA HB3 H 1 1.378 0.020 . 1 . . . A 35 ALA HB3 . 18015 1 416 . 1 1 37 37 ALA CA C 13 55.709 0.400 . 1 . . . A 35 ALA CA . 18015 1 417 . 1 1 37 37 ALA CB C 13 16.951 0.400 . 1 . . . A 35 ALA CB . 18015 1 418 . 1 1 37 37 ALA N N 15 124.272 0.400 . 1 . . . A 35 ALA N . 18015 1 419 . 1 1 38 38 VAL H H 1 7.791 0.020 . 1 . . . A 36 VAL H . 18015 1 420 . 1 1 38 38 VAL HA H 1 3.818 0.020 . 1 . . . A 36 VAL HA . 18015 1 421 . 1 1 38 38 VAL HB H 1 2.248 0.020 . 1 . . . A 36 VAL HB . 18015 1 422 . 1 1 38 38 VAL HG11 H 1 0.966 0.020 . 2 . . . A 36 VAL HG11 . 18015 1 423 . 1 1 38 38 VAL HG12 H 1 0.966 0.020 . 2 . . . A 36 VAL HG12 . 18015 1 424 . 1 1 38 38 VAL HG13 H 1 0.966 0.020 . 2 . . . A 36 VAL HG13 . 18015 1 425 . 1 1 38 38 VAL HG21 H 1 1.161 0.020 . 2 . . . A 36 VAL HG21 . 18015 1 426 . 1 1 38 38 VAL HG22 H 1 1.161 0.020 . 2 . . . A 36 VAL HG22 . 18015 1 427 . 1 1 38 38 VAL HG23 H 1 1.161 0.020 . 2 . . . A 36 VAL HG23 . 18015 1 428 . 1 1 38 38 VAL CA C 13 66.484 0.400 . 1 . . . A 36 VAL CA . 18015 1 429 . 1 1 38 38 VAL CB C 13 31.585 0.400 . 1 . . . A 36 VAL CB . 18015 1 430 . 1 1 38 38 VAL CG1 C 13 21.137 0.400 . 2 . . . A 36 VAL CG1 . 18015 1 431 . 1 1 38 38 VAL CG2 C 13 22.830 0.400 . 2 . . . A 36 VAL CG2 . 18015 1 432 . 1 1 38 38 VAL N N 15 118.330 0.400 . 1 . . . A 36 VAL N . 18015 1 433 . 1 1 39 39 TRP H H 1 8.109 0.020 . 1 . . . A 37 TRP H . 18015 1 434 . 1 1 39 39 TRP HA H 1 4.631 0.020 . 1 . . . A 37 TRP HA . 18015 1 435 . 1 1 39 39 TRP HB2 H 1 3.429 0.020 . 2 . . . A 37 TRP HB2 . 18015 1 436 . 1 1 39 39 TRP HB3 H 1 3.479 0.020 . 2 . . . A 37 TRP HB3 . 18015 1 437 . 1 1 39 39 TRP HD1 H 1 7.149 0.020 . 1 . . . A 37 TRP HD1 . 18015 1 438 . 1 1 39 39 TRP HE1 H 1 10.220 0.020 . 1 . . . A 37 TRP HE1 . 18015 1 439 . 1 1 39 39 TRP HE3 H 1 7.569 0.020 . 1 . . . A 37 TRP HE3 . 18015 1 440 . 1 1 39 39 TRP HZ2 H 1 7.466 0.020 . 1 . . . A 37 TRP HZ2 . 18015 1 441 . 1 1 39 39 TRP HZ3 H 1 7.112 0.020 . 1 . . . A 37 TRP HZ3 . 18015 1 442 . 1 1 39 39 TRP HH2 H 1 7.251 0.020 . 1 . . . A 37 TRP HH2 . 18015 1 443 . 1 1 39 39 TRP CA C 13 59.100 0.400 . 1 . . . A 37 TRP CA . 18015 1 444 . 1 1 39 39 TRP CB C 13 29.815 0.400 . 1 . . . A 37 TRP CB . 18015 1 445 . 1 1 39 39 TRP CD1 C 13 126.411 0.400 . 1 . . . A 37 TRP CD1 . 18015 1 446 . 1 1 39 39 TRP CE3 C 13 120.736 0.400 . 1 . . . A 37 TRP CE3 . 18015 1 447 . 1 1 39 39 TRP CZ2 C 13 114.621 0.400 . 1 . . . A 37 TRP CZ2 . 18015 1 448 . 1 1 39 39 TRP CZ3 C 13 121.912 0.400 . 1 . . . A 37 TRP CZ3 . 18015 1 449 . 1 1 39 39 TRP CH2 C 13 124.876 0.400 . 1 . . . A 37 TRP CH2 . 18015 1 450 . 1 1 39 39 TRP N N 15 120.237 0.400 . 1 . . . A 37 TRP N . 18015 1 451 . 1 1 39 39 TRP NE1 N 15 128.911 0.400 . 1 . . . A 37 TRP NE1 . 18015 1 452 . 1 1 40 40 THR H H 1 8.011 0.020 . 1 . . . A 38 THR H . 18015 1 453 . 1 1 40 40 THR HA H 1 4.374 0.020 . 1 . . . A 38 THR HA . 18015 1 454 . 1 1 40 40 THR HB H 1 4.279 0.020 . 1 . . . A 38 THR HB . 18015 1 455 . 1 1 40 40 THR HG1 H 1 4.085 0.020 . 1 . . . A 38 THR HG1 . 18015 1 456 . 1 1 40 40 THR HG21 H 1 1.209 0.020 . 1 . . . A 38 THR HG21 . 18015 1 457 . 1 1 40 40 THR HG22 H 1 1.209 0.020 . 1 . . . A 38 THR HG22 . 18015 1 458 . 1 1 40 40 THR HG23 H 1 1.209 0.020 . 1 . . . A 38 THR HG23 . 18015 1 459 . 1 1 40 40 THR CA C 13 61.723 0.400 . 1 . . . A 38 THR CA . 18015 1 460 . 1 1 40 40 THR CB C 13 71.088 0.400 . 1 . . . A 38 THR CB . 18015 1 461 . 1 1 40 40 THR CG2 C 13 22.362 0.400 . 1 . . . A 38 THR CG2 . 18015 1 462 . 1 1 40 40 THR N N 15 104.809 0.400 . 1 . . . A 38 THR N . 18015 1 463 . 1 1 41 41 ASN H H 1 7.925 0.020 . 1 . . . A 39 ASN H . 18015 1 464 . 1 1 41 41 ASN HA H 1 4.534 0.020 . 1 . . . A 39 ASN HA . 18015 1 465 . 1 1 41 41 ASN HB2 H 1 2.894 0.020 . 2 . . . A 39 ASN HB2 . 18015 1 466 . 1 1 41 41 ASN HB3 H 1 3.251 0.020 . 2 . . . A 39 ASN HB3 . 18015 1 467 . 1 1 41 41 ASN HD21 H 1 6.887 0.020 . 2 . . . A 39 ASN HD21 . 18015 1 468 . 1 1 41 41 ASN HD22 H 1 7.531 0.020 . 2 . . . A 39 ASN HD22 . 18015 1 469 . 1 1 41 41 ASN CA C 13 54.907 0.400 . 1 . . . A 39 ASN CA . 18015 1 470 . 1 1 41 41 ASN CB C 13 37.285 0.400 . 1 . . . A 39 ASN CB . 18015 1 471 . 1 1 41 41 ASN N N 15 118.978 0.400 . 1 . . . A 39 ASN N . 18015 1 472 . 1 1 41 41 ASN ND2 N 15 112.226 0.400 . 1 . . . A 39 ASN ND2 . 18015 1 473 . 1 1 42 42 LEU H H 1 8.635 0.020 . 1 . . . A 40 LEU H . 18015 1 474 . 1 1 42 42 LEU HA H 1 5.045 0.020 . 1 . . . A 40 LEU HA . 18015 1 475 . 1 1 42 42 LEU HB2 H 1 1.674 0.020 . 2 . . . A 40 LEU HB2 . 18015 1 476 . 1 1 42 42 LEU HB3 H 1 1.478 0.020 . 2 . . . A 40 LEU HB3 . 18015 1 477 . 1 1 42 42 LEU HG H 1 1.122 0.020 . 1 . . . A 40 LEU HG . 18015 1 478 . 1 1 42 42 LEU HD11 H 1 1.707 0.020 . 2 . . . A 40 LEU HD11 . 18015 1 479 . 1 1 42 42 LEU HD12 H 1 1.707 0.020 . 2 . . . A 40 LEU HD12 . 18015 1 480 . 1 1 42 42 LEU HD13 H 1 1.707 0.020 . 2 . . . A 40 LEU HD13 . 18015 1 481 . 1 1 42 42 LEU HD21 H 1 0.907 0.020 . 2 . . . A 40 LEU HD21 . 18015 1 482 . 1 1 42 42 LEU HD22 H 1 0.907 0.020 . 2 . . . A 40 LEU HD22 . 18015 1 483 . 1 1 42 42 LEU HD23 H 1 0.907 0.020 . 2 . . . A 40 LEU HD23 . 18015 1 484 . 1 1 42 42 LEU CA C 13 53.068 0.400 . 1 . . . A 40 LEU CA . 18015 1 485 . 1 1 42 42 LEU CB C 13 47.111 0.400 . 1 . . . A 40 LEU CB . 18015 1 486 . 1 1 42 42 LEU CG C 13 23.922 0.400 . 1 . . . A 40 LEU CG . 18015 1 487 . 1 1 42 42 LEU CD1 C 13 26.887 0.400 . 2 . . . A 40 LEU CD1 . 18015 1 488 . 1 1 42 42 LEU CD2 C 13 25.947 0.400 . 2 . . . A 40 LEU CD2 . 18015 1 489 . 1 1 42 42 LEU N N 15 120.124 0.400 . 1 . . . A 40 LEU N . 18015 1 490 . 1 1 43 43 THR H H 1 7.081 0.020 . 1 . . . A 41 THR H . 18015 1 491 . 1 1 43 43 THR HA H 1 4.715 0.020 . 1 . . . A 41 THR HA . 18015 1 492 . 1 1 43 43 THR HB H 1 4.715 0.020 . 1 . . . A 41 THR HB . 18015 1 493 . 1 1 43 43 THR HG21 H 1 1.358 0.020 . 1 . . . A 41 THR HG21 . 18015 1 494 . 1 1 43 43 THR HG22 H 1 1.358 0.020 . 1 . . . A 41 THR HG22 . 18015 1 495 . 1 1 43 43 THR HG23 H 1 1.358 0.020 . 1 . . . A 41 THR HG23 . 18015 1 496 . 1 1 43 43 THR CA C 13 59.511 0.400 . 1 . . . A 41 THR CA . 18015 1 497 . 1 1 43 43 THR CB C 13 71.419 0.400 . 1 . . . A 41 THR CB . 18015 1 498 . 1 1 43 43 THR CG2 C 13 22.313 0.400 . 1 . . . A 41 THR CG2 . 18015 1 499 . 1 1 43 43 THR N N 15 106.690 0.400 . 1 . . . A 41 THR N . 18015 1 500 . 1 1 44 44 GLU H H 1 9.452 0.020 . 1 . . . A 42 GLU H . 18015 1 501 . 1 1 44 44 GLU HA H 1 3.630 0.020 . 1 . . . A 42 GLU HA . 18015 1 502 . 1 1 44 44 GLU HB2 H 1 2.363 0.020 . 2 . . . A 42 GLU HB2 . 18015 1 503 . 1 1 44 44 GLU HB3 H 1 1.935 0.020 . 2 . . . A 42 GLU HB3 . 18015 1 504 . 1 1 44 44 GLU HG2 H 1 2.651 0.020 . 2 . . . A 42 GLU HG2 . 18015 1 505 . 1 1 44 44 GLU HG3 H 1 2.138 0.020 . 2 . . . A 42 GLU HG3 . 18015 1 506 . 1 1 44 44 GLU CA C 13 61.533 0.400 . 1 . . . A 42 GLU CA . 18015 1 507 . 1 1 44 44 GLU CB C 13 28.416 0.400 . 1 . . . A 42 GLU CB . 18015 1 508 . 1 1 44 44 GLU CG C 13 37.387 0.400 . 1 . . . A 42 GLU CG . 18015 1 509 . 1 1 44 44 GLU N N 15 124.087 0.400 . 1 . . . A 42 GLU N . 18015 1 510 . 1 1 45 45 ALA H H 1 8.467 0.020 . 1 . . . A 43 ALA H . 18015 1 511 . 1 1 45 45 ALA HA H 1 4.010 0.020 . 1 . . . A 43 ALA HA . 18015 1 512 . 1 1 45 45 ALA HB1 H 1 1.495 0.020 . 1 . . . A 43 ALA HB1 . 18015 1 513 . 1 1 45 45 ALA HB2 H 1 1.495 0.020 . 1 . . . A 43 ALA HB2 . 18015 1 514 . 1 1 45 45 ALA HB3 H 1 1.495 0.020 . 1 . . . A 43 ALA HB3 . 18015 1 515 . 1 1 45 45 ALA CA C 13 55.619 0.400 . 1 . . . A 43 ALA CA . 18015 1 516 . 1 1 45 45 ALA CB C 13 18.599 0.400 . 1 . . . A 43 ALA CB . 18015 1 517 . 1 1 45 45 ALA N N 15 119.687 0.400 . 1 . . . A 43 ALA N . 18015 1 518 . 1 1 46 46 ARG H H 1 7.657 0.020 . 1 . . . A 44 ARG H . 18015 1 519 . 1 1 46 46 ARG HA H 1 4.313 0.020 . 1 . . . A 44 ARG HA . 18015 1 520 . 1 1 46 46 ARG HB2 H 1 2.251 0.020 . 2 . . . A 44 ARG HB2 . 18015 1 521 . 1 1 46 46 ARG HB3 H 1 2.146 0.020 . 2 . . . A 44 ARG HB3 . 18015 1 522 . 1 1 46 46 ARG HG2 H 1 2.167 0.020 . 2 . . . A 44 ARG HG2 . 18015 1 523 . 1 1 46 46 ARG HG3 H 1 1.988 0.020 . 2 . . . A 44 ARG HG3 . 18015 1 524 . 1 1 46 46 ARG HD2 H 1 3.423 0.020 . 2 . . . A 44 ARG HD2 . 18015 1 525 . 1 1 46 46 ARG HD3 H 1 3.392 0.020 . 2 . . . A 44 ARG HD3 . 18015 1 526 . 1 1 46 46 ARG HE H 1 7.406 0.020 . 1 . . . A 44 ARG HE . 18015 1 527 . 1 1 46 46 ARG CA C 13 59.034 0.400 . 1 . . . A 44 ARG CA . 18015 1 528 . 1 1 46 46 ARG CB C 13 31.485 0.400 . 1 . . . A 44 ARG CB . 18015 1 529 . 1 1 46 46 ARG CG C 13 27.611 0.400 . 1 . . . A 44 ARG CG . 18015 1 530 . 1 1 46 46 ARG CD C 13 43.419 0.400 . 1 . . . A 44 ARG CD . 18015 1 531 . 1 1 46 46 ARG N N 15 116.856 0.400 . 1 . . . A 44 ARG N . 18015 1 532 . 1 1 46 46 ARG NE N 15 85.808 0.400 . 1 . . . A 44 ARG NE . 18015 1 533 . 1 1 47 47 VAL H H 1 8.008 0.020 . 1 . . . A 45 VAL H . 18015 1 534 . 1 1 47 47 VAL HA H 1 3.764 0.020 . 1 . . . A 45 VAL HA . 18015 1 535 . 1 1 47 47 VAL HB H 1 2.445 0.020 . 1 . . . A 45 VAL HB . 18015 1 536 . 1 1 47 47 VAL HG11 H 1 1.175 0.020 . 2 . . . A 45 VAL HG11 . 18015 1 537 . 1 1 47 47 VAL HG12 H 1 1.175 0.020 . 2 . . . A 45 VAL HG12 . 18015 1 538 . 1 1 47 47 VAL HG13 H 1 1.175 0.020 . 2 . . . A 45 VAL HG13 . 18015 1 539 . 1 1 47 47 VAL HG21 H 1 1.053 0.020 . 2 . . . A 45 VAL HG21 . 18015 1 540 . 1 1 47 47 VAL HG22 H 1 1.053 0.020 . 2 . . . A 45 VAL HG22 . 18015 1 541 . 1 1 47 47 VAL HG23 H 1 1.053 0.020 . 2 . . . A 45 VAL HG23 . 18015 1 542 . 1 1 47 47 VAL CA C 13 67.308 0.400 . 1 . . . A 45 VAL CA . 18015 1 543 . 1 1 47 47 VAL CB C 13 32.535 0.400 . 1 . . . A 45 VAL CB . 18015 1 544 . 1 1 47 47 VAL CG1 C 13 22.328 0.400 . 2 . . . A 45 VAL CG1 . 18015 1 545 . 1 1 47 47 VAL CG2 C 13 23.408 0.400 . 2 . . . A 45 VAL CG2 . 18015 1 546 . 1 1 47 47 VAL N N 15 120.046 0.400 . 1 . . . A 45 VAL N . 18015 1 547 . 1 1 48 48 ARG H H 1 9.432 0.020 . 1 . . . A 46 ARG H . 18015 1 548 . 1 1 48 48 ARG HA H 1 3.934 0.020 . 1 . . . A 46 ARG HA . 18015 1 549 . 1 1 48 48 ARG HB2 H 1 2.264 0.020 . 2 . . . A 46 ARG HB2 . 18015 1 550 . 1 1 48 48 ARG HB3 H 1 2.113 0.020 . 2 . . . A 46 ARG HB3 . 18015 1 551 . 1 1 48 48 ARG HG2 H 1 1.722 0.020 . 2 . . . A 46 ARG HG2 . 18015 1 552 . 1 1 48 48 ARG HG3 H 1 1.587 0.020 . 2 . . . A 46 ARG HG3 . 18015 1 553 . 1 1 48 48 ARG HD2 H 1 3.360 0.020 . 2 . . . A 46 ARG HD2 . 18015 1 554 . 1 1 48 48 ARG HD3 H 1 3.360 0.020 . 2 . . . A 46 ARG HD3 . 18015 1 555 . 1 1 48 48 ARG HE H 1 8.193 0.020 . 1 . . . A 46 ARG HE . 18015 1 556 . 1 1 48 48 ARG CA C 13 60.608 0.400 . 1 . . . A 46 ARG CA . 18015 1 557 . 1 1 48 48 ARG CB C 13 30.569 0.400 . 1 . . . A 46 ARG CB . 18015 1 558 . 1 1 48 48 ARG CG C 13 26.125 0.400 . 1 . . . A 46 ARG CG . 18015 1 559 . 1 1 48 48 ARG CD C 13 43.539 0.400 . 1 . . . A 46 ARG CD . 18015 1 560 . 1 1 48 48 ARG N N 15 121.544 0.400 . 1 . . . A 46 ARG N . 18015 1 561 . 1 1 48 48 ARG NE N 15 83.040 0.400 . 1 . . . A 46 ARG NE . 18015 1 562 . 1 1 49 49 VAL H H 1 8.103 0.020 . 1 . . . A 47 VAL H . 18015 1 563 . 1 1 49 49 VAL HA H 1 3.642 0.020 . 1 . . . A 47 VAL HA . 18015 1 564 . 1 1 49 49 VAL HB H 1 2.290 0.020 . 1 . . . A 47 VAL HB . 18015 1 565 . 1 1 49 49 VAL HG11 H 1 1.125 0.020 . 2 . . . A 47 VAL HG11 . 18015 1 566 . 1 1 49 49 VAL HG12 H 1 1.125 0.020 . 2 . . . A 47 VAL HG12 . 18015 1 567 . 1 1 49 49 VAL HG13 H 1 1.125 0.020 . 2 . . . A 47 VAL HG13 . 18015 1 568 . 1 1 49 49 VAL HG21 H 1 1.117 0.020 . 2 . . . A 47 VAL HG21 . 18015 1 569 . 1 1 49 49 VAL HG22 H 1 1.117 0.020 . 2 . . . A 47 VAL HG22 . 18015 1 570 . 1 1 49 49 VAL HG23 H 1 1.117 0.020 . 2 . . . A 47 VAL HG23 . 18015 1 571 . 1 1 49 49 VAL CA C 13 67.087 0.400 . 1 . . . A 47 VAL CA . 18015 1 572 . 1 1 49 49 VAL CB C 13 32.467 0.400 . 1 . . . A 47 VAL CB . 18015 1 573 . 1 1 49 49 VAL CG1 C 13 24.364 0.400 . 2 . . . A 47 VAL CG1 . 18015 1 574 . 1 1 49 49 VAL CG2 C 13 22.915 0.400 . 2 . . . A 47 VAL CG2 . 18015 1 575 . 1 1 49 49 VAL N N 15 120.747 0.400 . 1 . . . A 47 VAL N . 18015 1 576 . 1 1 50 50 TRP H H 1 8.430 0.020 . 1 . . . A 48 TRP H . 18015 1 577 . 1 1 50 50 TRP HA H 1 4.883 0.020 . 1 . . . A 48 TRP HA . 18015 1 578 . 1 1 50 50 TRP HB2 H 1 3.455 0.020 . 2 . . . A 48 TRP HB2 . 18015 1 579 . 1 1 50 50 TRP HB3 H 1 3.217 0.020 . 2 . . . A 48 TRP HB3 . 18015 1 580 . 1 1 50 50 TRP HD1 H 1 6.991 0.020 . 1 . . . A 48 TRP HD1 . 18015 1 581 . 1 1 50 50 TRP HE1 H 1 9.314 0.020 . 1 . . . A 48 TRP HE1 . 18015 1 582 . 1 1 50 50 TRP HE3 H 1 6.551 0.020 . 1 . . . A 48 TRP HE3 . 18015 1 583 . 1 1 50 50 TRP HZ2 H 1 7.149 0.020 . 1 . . . A 48 TRP HZ2 . 18015 1 584 . 1 1 50 50 TRP HZ3 H 1 5.568 0.020 . 1 . . . A 48 TRP HZ3 . 18015 1 585 . 1 1 50 50 TRP HH2 H 1 6.432 0.020 . 1 . . . A 48 TRP HH2 . 18015 1 586 . 1 1 50 50 TRP CD1 C 13 128.658 0.400 . 1 . . . A 48 TRP CD1 . 18015 1 587 . 1 1 50 50 TRP CE3 C 13 120.869 0.400 . 1 . . . A 48 TRP CE3 . 18015 1 588 . 1 1 50 50 TRP CZ2 C 13 113.726 0.400 . 1 . . . A 48 TRP CZ2 . 18015 1 589 . 1 1 50 50 TRP CZ3 C 13 120.758 0.400 . 1 . . . A 48 TRP CZ3 . 18015 1 590 . 1 1 50 50 TRP CH2 C 13 122.976 0.400 . 1 . . . A 48 TRP CH2 . 18015 1 591 . 1 1 50 50 TRP N N 15 122.857 0.400 . 1 . . . A 48 TRP N . 18015 1 592 . 1 1 50 50 TRP NE1 N 15 129.073 0.400 . 1 . . . A 48 TRP NE1 . 18015 1 593 . 1 1 51 51 PHE H H 1 9.045 0.020 . 1 . . . A 49 PHE H . 18015 1 594 . 1 1 51 51 PHE HA H 1 3.715 0.020 . 1 . . . A 49 PHE HA . 18015 1 595 . 1 1 51 51 PHE HB2 H 1 3.291 0.020 . 2 . . . A 49 PHE HB2 . 18015 1 596 . 1 1 51 51 PHE HB3 H 1 3.291 0.020 . 2 . . . A 49 PHE HB3 . 18015 1 597 . 1 1 51 51 PHE HD1 H 1 7.812 0.020 . 3 . . . A 49 PHE HD1 . 18015 1 598 . 1 1 51 51 PHE HD2 H 1 7.812 0.020 . 3 . . . A 49 PHE HD2 . 18015 1 599 . 1 1 51 51 PHE HE1 H 1 7.599 0.020 . 3 . . . A 49 PHE HE1 . 18015 1 600 . 1 1 51 51 PHE HE2 H 1 7.599 0.020 . 3 . . . A 49 PHE HE2 . 18015 1 601 . 1 1 51 51 PHE HZ H 1 7.453 0.020 . 1 . . . A 49 PHE HZ . 18015 1 602 . 1 1 51 51 PHE CA C 13 63.608 0.400 . 1 . . . A 49 PHE CA . 18015 1 603 . 1 1 51 51 PHE CB C 13 39.456 0.400 . 1 . . . A 49 PHE CB . 18015 1 604 . 1 1 51 51 PHE CD1 C 13 132.161 0.400 . 3 . . . A 49 PHE CD1 . 18015 1 605 . 1 1 51 51 PHE CE1 C 13 132.090 0.400 . 3 . . . A 49 PHE CE1 . 18015 1 606 . 1 1 51 51 PHE CZ C 13 129.906 0.400 . 1 . . . A 49 PHE CZ . 18015 1 607 . 1 1 51 51 PHE N N 15 118.314 0.400 . 1 . . . A 49 PHE N . 18015 1 608 . 1 1 52 52 LYS H H 1 7.915 0.020 . 1 . . . A 50 LYS H . 18015 1 609 . 1 1 52 52 LYS HA H 1 3.942 0.020 . 1 . . . A 50 LYS HA . 18015 1 610 . 1 1 52 52 LYS HB2 H 1 2.258 0.020 . 2 . . . A 50 LYS HB2 . 18015 1 611 . 1 1 52 52 LYS HB3 H 1 1.972 0.020 . 2 . . . A 50 LYS HB3 . 18015 1 612 . 1 1 52 52 LYS HG2 H 1 1.490 0.020 . 2 . . . A 50 LYS HG2 . 18015 1 613 . 1 1 52 52 LYS HG3 H 1 1.102 0.020 . 2 . . . A 50 LYS HG3 . 18015 1 614 . 1 1 52 52 LYS HD2 H 1 1.734 0.020 . 2 . . . A 50 LYS HD2 . 18015 1 615 . 1 1 52 52 LYS HD3 H 1 1.493 0.020 . 2 . . . A 50 LYS HD3 . 18015 1 616 . 1 1 52 52 LYS HE2 H 1 2.940 0.020 . 2 . . . A 50 LYS HE2 . 18015 1 617 . 1 1 52 52 LYS HE3 H 1 2.687 0.020 . 2 . . . A 50 LYS HE3 . 18015 1 618 . 1 1 52 52 LYS HZ1 H 1 7.483 0.020 . 1 . . . A 50 LYS HZ1 . 18015 1 619 . 1 1 52 52 LYS HZ2 H 1 7.483 0.020 . 1 . . . A 50 LYS HZ2 . 18015 1 620 . 1 1 52 52 LYS HZ3 H 1 7.483 0.020 . 1 . . . A 50 LYS HZ3 . 18015 1 621 . 1 1 52 52 LYS CA C 13 60.667 0.400 . 1 . . . A 50 LYS CA . 18015 1 622 . 1 1 52 52 LYS CB C 13 33.213 0.400 . 1 . . . A 50 LYS CB . 18015 1 623 . 1 1 52 52 LYS CD C 13 29.980 0.400 . 1 . . . A 50 LYS CD . 18015 1 624 . 1 1 52 52 LYS CE C 13 42.164 0.400 . 1 . . . A 50 LYS CE . 18015 1 625 . 1 1 52 52 LYS N N 15 121.307 0.400 . 1 . . . A 50 LYS N . 18015 1 626 . 1 1 53 53 ASN H H 1 8.669 0.020 . 1 . . . A 51 ASN H . 18015 1 627 . 1 1 53 53 ASN HA H 1 4.506 0.020 . 1 . . . A 51 ASN HA . 18015 1 628 . 1 1 53 53 ASN HB2 H 1 2.497 0.020 . 2 . . . A 51 ASN HB2 . 18015 1 629 . 1 1 53 53 ASN HB3 H 1 2.882 0.020 . 2 . . . A 51 ASN HB3 . 18015 1 630 . 1 1 53 53 ASN HD21 H 1 8.907 0.020 . 2 . . . A 51 ASN HD21 . 18015 1 631 . 1 1 53 53 ASN HD22 H 1 8.425 0.020 . 2 . . . A 51 ASN HD22 . 18015 1 632 . 1 1 53 53 ASN CA C 13 56.168 0.400 . 1 . . . A 51 ASN CA . 18015 1 633 . 1 1 53 53 ASN CB C 13 38.233 0.400 . 1 . . . A 51 ASN CB . 18015 1 634 . 1 1 53 53 ASN N N 15 119.377 0.400 . 1 . . . A 51 ASN N . 18015 1 635 . 1 1 53 53 ASN ND2 N 15 123.600 0.400 . 1 . . . A 51 ASN ND2 . 18015 1 636 . 1 1 54 54 ARG H H 1 8.851 0.020 . 1 . . . A 52 ARG H . 18015 1 637 . 1 1 54 54 ARG HA H 1 3.682 0.020 . 1 . . . A 52 ARG HA . 18015 1 638 . 1 1 54 54 ARG HB2 H 1 -0.505 0.020 . 2 . . . A 52 ARG HB2 . 18015 1 639 . 1 1 54 54 ARG HB3 H 1 0.669 0.020 . 2 . . . A 52 ARG HB3 . 18015 1 640 . 1 1 54 54 ARG HG2 H 1 -0.209 0.020 . 2 . . . A 52 ARG HG2 . 18015 1 641 . 1 1 54 54 ARG HG3 H 1 -0.597 0.020 . 2 . . . A 52 ARG HG3 . 18015 1 642 . 1 1 54 54 ARG HD2 H 1 2.174 0.020 . 2 . . . A 52 ARG HD2 . 18015 1 643 . 1 1 54 54 ARG HD3 H 1 2.430 0.020 . 2 . . . A 52 ARG HD3 . 18015 1 644 . 1 1 54 54 ARG HE H 1 9.861 0.020 . 1 . . . A 52 ARG HE . 18015 1 645 . 1 1 54 54 ARG CB C 13 27.575 0.400 . 1 . . . A 52 ARG CB . 18015 1 646 . 1 1 54 54 ARG CG C 13 23.837 0.400 . 1 . . . A 52 ARG CG . 18015 1 647 . 1 1 54 54 ARG CD C 13 40.422 0.400 . 1 . . . A 52 ARG CD . 18015 1 648 . 1 1 54 54 ARG N N 15 125.530 0.400 . 1 . . . A 52 ARG N . 18015 1 649 . 1 1 54 54 ARG NE N 15 89.969 0.400 . 1 . . . A 52 ARG NE . 18015 1 650 . 1 1 55 55 ARG H H 1 8.620 0.020 . 1 . . . A 53 ARG H . 18015 1 651 . 1 1 55 55 ARG HA H 1 4.299 0.020 . 1 . . . A 53 ARG HA . 18015 1 652 . 1 1 55 55 ARG HB2 H 1 2.237 0.020 . 2 . . . A 53 ARG HB2 . 18015 1 653 . 1 1 55 55 ARG HB3 H 1 2.484 0.020 . 2 . . . A 53 ARG HB3 . 18015 1 654 . 1 1 55 55 ARG HG2 H 1 2.001 0.020 . 2 . . . A 53 ARG HG2 . 18015 1 655 . 1 1 55 55 ARG HG3 H 1 1.261 0.020 . 2 . . . A 53 ARG HG3 . 18015 1 656 . 1 1 55 55 ARG HD2 H 1 2.624 0.020 . 2 . . . A 53 ARG HD2 . 18015 1 657 . 1 1 55 55 ARG HE H 1 7.665 0.020 . 1 . . . A 53 ARG HE . 18015 1 658 . 1 1 55 55 ARG CA C 13 61.263 0.400 . 1 . . . A 53 ARG CA . 18015 1 659 . 1 1 55 55 ARG CB C 13 31.479 0.400 . 1 . . . A 53 ARG CB . 18015 1 660 . 1 1 55 55 ARG CD C 13 43.141 0.400 . 1 . . . A 53 ARG CD . 18015 1 661 . 1 1 55 55 ARG N N 15 120.194 0.400 . 1 . . . A 53 ARG N . 18015 1 662 . 1 1 55 55 ARG NE N 15 83.170 0.400 . 1 . . . A 53 ARG NE . 18015 1 663 . 1 1 56 56 ALA H H 1 7.386 0.020 . 1 . . . A 54 ALA H . 18015 1 664 . 1 1 56 56 ALA HA H 1 4.340 0.020 . 1 . . . A 54 ALA HA . 18015 1 665 . 1 1 56 56 ALA HB1 H 1 1.604 0.020 . 1 . . . A 54 ALA HB1 . 18015 1 666 . 1 1 56 56 ALA HB2 H 1 1.604 0.020 . 1 . . . A 54 ALA HB2 . 18015 1 667 . 1 1 56 56 ALA HB3 H 1 1.604 0.020 . 1 . . . A 54 ALA HB3 . 18015 1 668 . 1 1 56 56 ALA CA C 13 55.635 0.400 . 1 . . . A 54 ALA CA . 18015 1 669 . 1 1 56 56 ALA CB C 13 17.490 0.400 . 1 . . . A 54 ALA CB . 18015 1 670 . 1 1 56 56 ALA N N 15 121.998 0.400 . 1 . . . A 54 ALA N . 18015 1 671 . 1 1 57 57 LYS H H 1 7.716 0.020 . 1 . . . A 55 LYS H . 18015 1 672 . 1 1 57 57 LYS HA H 1 4.066 0.020 . 1 . . . A 55 LYS HA . 18015 1 673 . 1 1 57 57 LYS HB2 H 1 1.957 0.020 . 2 . . . A 55 LYS HB2 . 18015 1 674 . 1 1 57 57 LYS HB3 H 1 1.825 0.020 . 2 . . . A 55 LYS HB3 . 18015 1 675 . 1 1 57 57 LYS HG2 H 1 1.454 0.020 . 2 . . . A 55 LYS HG2 . 18015 1 676 . 1 1 57 57 LYS HG3 H 1 1.239 0.020 . 2 . . . A 55 LYS HG3 . 18015 1 677 . 1 1 57 57 LYS HD2 H 1 1.698 0.020 . 2 . . . A 55 LYS HD2 . 18015 1 678 . 1 1 57 57 LYS HD3 H 1 1.520 0.020 . 2 . . . A 55 LYS HD3 . 18015 1 679 . 1 1 57 57 LYS HE2 H 1 2.853 0.020 . 2 . . . A 55 LYS HE2 . 18015 1 680 . 1 1 57 57 LYS HE3 H 1 2.853 0.020 . 2 . . . A 55 LYS HE3 . 18015 1 681 . 1 1 57 57 LYS CA C 13 59.624 0.400 . 1 . . . A 55 LYS CA . 18015 1 682 . 1 1 57 57 LYS CG C 13 25.012 0.400 . 1 . . . A 55 LYS CG . 18015 1 683 . 1 1 57 57 LYS CD C 13 29.980 0.400 . 1 . . . A 55 LYS CD . 18015 1 684 . 1 1 57 57 LYS CE C 13 41.868 0.400 . 1 . . . A 55 LYS CE . 18015 1 685 . 1 1 57 57 LYS N N 15 120.111 0.400 . 1 . . . A 55 LYS N . 18015 1 686 . 1 1 58 58 TRP H H 1 8.362 0.020 . 1 . . . A 56 TRP H . 18015 1 687 . 1 1 58 58 TRP HA H 1 4.571 0.020 . 1 . . . A 56 TRP HA . 18015 1 688 . 1 1 58 58 TRP HB2 H 1 3.410 0.020 . 2 . . . A 56 TRP HB2 . 18015 1 689 . 1 1 58 58 TRP HB3 H 1 3.949 0.020 . 2 . . . A 56 TRP HB3 . 18015 1 690 . 1 1 58 58 TRP HD1 H 1 7.488 0.020 . 1 . . . A 56 TRP HD1 . 18015 1 691 . 1 1 58 58 TRP HE1 H 1 10.353 0.020 . 1 . . . A 56 TRP HE1 . 18015 1 692 . 1 1 58 58 TRP HE3 H 1 7.705 0.020 . 1 . . . A 56 TRP HE3 . 18015 1 693 . 1 1 58 58 TRP HZ2 H 1 7.473 0.020 . 1 . . . A 56 TRP HZ2 . 18015 1 694 . 1 1 58 58 TRP HZ3 H 1 7.183 0.020 . 1 . . . A 56 TRP HZ3 . 18015 1 695 . 1 1 58 58 TRP HH2 H 1 7.191 0.020 . 1 . . . A 56 TRP HH2 . 18015 1 696 . 1 1 58 58 TRP CA C 13 60.423 0.400 . 1 . . . A 56 TRP CA . 18015 1 697 . 1 1 58 58 TRP CB C 13 29.651 0.400 . 1 . . . A 56 TRP CB . 18015 1 698 . 1 1 58 58 TRP CD1 C 13 127.612 0.400 . 1 . . . A 56 TRP CD1 . 18015 1 699 . 1 1 58 58 TRP CE3 C 13 119.866 0.400 . 1 . . . A 56 TRP CE3 . 18015 1 700 . 1 1 58 58 TRP CZ2 C 13 114.671 0.400 . 1 . . . A 56 TRP CZ2 . 18015 1 701 . 1 1 58 58 TRP CZ3 C 13 121.984 0.400 . 1 . . . A 56 TRP CZ3 . 18015 1 702 . 1 1 58 58 TRP CH2 C 13 124.592 0.400 . 1 . . . A 56 TRP CH2 . 18015 1 703 . 1 1 58 58 TRP N N 15 121.249 0.400 . 1 . . . A 56 TRP N . 18015 1 704 . 1 1 58 58 TRP NE1 N 15 130.508 0.400 . 1 . . . A 56 TRP NE1 . 18015 1 705 . 1 1 59 59 ARG H H 1 8.464 0.020 . 1 . . . A 57 ARG H . 18015 1 706 . 1 1 59 59 ARG HA H 1 3.878 0.020 . 1 . . . A 57 ARG HA . 18015 1 707 . 1 1 59 59 ARG HB2 H 1 2.205 0.020 . 2 . . . A 57 ARG HB2 . 18015 1 708 . 1 1 59 59 ARG HB3 H 1 1.970 0.020 . 2 . . . A 57 ARG HB3 . 18015 1 709 . 1 1 59 59 ARG HG2 H 1 2.191 0.020 . 2 . . . A 57 ARG HG2 . 18015 1 710 . 1 1 59 59 ARG HG3 H 1 1.804 0.020 . 2 . . . A 57 ARG HG3 . 18015 1 711 . 1 1 59 59 ARG HD2 H 1 3.592 0.020 . 2 . . . A 57 ARG HD2 . 18015 1 712 . 1 1 59 59 ARG HD3 H 1 3.348 0.020 . 2 . . . A 57 ARG HD3 . 18015 1 713 . 1 1 59 59 ARG HE H 1 7.473 0.020 . 1 . . . A 57 ARG HE . 18015 1 714 . 1 1 59 59 ARG CA C 13 59.707 0.400 . 1 . . . A 57 ARG CA . 18015 1 715 . 1 1 59 59 ARG CB C 13 31.292 0.400 . 1 . . . A 57 ARG CB . 18015 1 716 . 1 1 59 59 ARG CG C 13 29.269 0.400 . 1 . . . A 57 ARG CG . 18015 1 717 . 1 1 59 59 ARG CD C 13 44.035 0.400 . 1 . . . A 57 ARG CD . 18015 1 718 . 1 1 59 59 ARG N N 15 117.543 0.400 . 1 . . . A 57 ARG N . 18015 1 719 . 1 1 59 59 ARG NE N 15 85.718 0.400 . 1 . . . A 57 ARG NE . 18015 1 720 . 1 1 60 60 LYS H H 1 7.770 0.020 . 1 . . . A 58 LYS H . 18015 1 721 . 1 1 60 60 LYS HA H 1 4.208 0.020 . 1 . . . A 58 LYS HA . 18015 1 722 . 1 1 60 60 LYS HB2 H 1 1.968 0.020 . 2 . . . A 58 LYS HB2 . 18015 1 723 . 1 1 60 60 LYS HB3 H 1 1.968 0.020 . 2 . . . A 58 LYS HB3 . 18015 1 724 . 1 1 60 60 LYS HG2 H 1 1.664 0.020 . 2 . . . A 58 LYS HG2 . 18015 1 725 . 1 1 60 60 LYS HG3 H 1 1.527 0.020 . 2 . . . A 58 LYS HG3 . 18015 1 726 . 1 1 60 60 LYS HD2 H 1 1.713 0.020 . 2 . . . A 58 LYS HD2 . 18015 1 727 . 1 1 60 60 LYS HD3 H 1 1.713 0.020 . 2 . . . A 58 LYS HD3 . 18015 1 728 . 1 1 60 60 LYS HE2 H 1 3.025 0.020 . 2 . . . A 58 LYS HE2 . 18015 1 729 . 1 1 60 60 LYS HE3 H 1 3.025 0.020 . 2 . . . A 58 LYS HE3 . 18015 1 730 . 1 1 60 60 LYS CA C 13 58.299 0.400 . 1 . . . A 58 LYS CA . 18015 1 731 . 1 1 60 60 LYS CB C 13 33.132 0.400 . 1 . . . A 58 LYS CB . 18015 1 732 . 1 1 60 60 LYS CG C 13 25.314 0.400 . 1 . . . A 58 LYS CG . 18015 1 733 . 1 1 60 60 LYS CD C 13 29.095 0.400 . 1 . . . A 58 LYS CD . 18015 1 734 . 1 1 60 60 LYS CE C 13 42.193 0.400 . 1 . . . A 58 LYS CE . 18015 1 735 . 1 1 60 60 LYS N N 15 118.252 0.400 . 1 . . . A 58 LYS N . 18015 1 736 . 1 1 61 61 ARG H H 1 7.978 0.020 . 1 . . . A 59 ARG H . 18015 1 737 . 1 1 61 61 ARG HA H 1 4.403 0.020 . 1 . . . A 59 ARG HA . 18015 1 738 . 1 1 61 61 ARG HB2 H 1 1.913 0.020 . 2 . . . A 59 ARG HB2 . 18015 1 739 . 1 1 61 61 ARG HB3 H 1 1.844 0.020 . 2 . . . A 59 ARG HB3 . 18015 1 740 . 1 1 61 61 ARG HG2 H 1 1.637 0.020 . 2 . . . A 59 ARG HG2 . 18015 1 741 . 1 1 61 61 ARG HG3 H 1 1.637 0.020 . 2 . . . A 59 ARG HG3 . 18015 1 742 . 1 1 61 61 ARG HD2 H 1 3.104 0.020 . 2 . . . A 59 ARG HD2 . 18015 1 743 . 1 1 61 61 ARG HD3 H 1 3.104 0.020 . 2 . . . A 59 ARG HD3 . 18015 1 744 . 1 1 61 61 ARG HE H 1 7.278 0.020 . 1 . . . A 59 ARG HE . 18015 1 745 . 1 1 61 61 ARG CA C 13 56.217 0.400 . 1 . . . A 59 ARG CA . 18015 1 746 . 1 1 61 61 ARG CB C 13 31.201 0.400 . 1 . . . A 59 ARG CB . 18015 1 747 . 1 1 61 61 ARG CG C 13 27.051 0.400 . 1 . . . A 59 ARG CG . 18015 1 748 . 1 1 61 61 ARG CD C 13 43.212 0.400 . 1 . . . A 59 ARG CD . 18015 1 749 . 1 1 61 61 ARG N N 15 116.854 0.400 . 1 . . . A 59 ARG N . 18015 1 750 . 1 1 61 61 ARG NE N 15 84.710 0.400 . 1 . . . A 59 ARG NE . 18015 1 751 . 1 1 62 62 GLU H H 1 8.078 0.020 . 1 . . . A 60 GLU H . 18015 1 752 . 1 1 62 62 GLU HA H 1 3.983 0.020 . 1 . . . A 60 GLU HA . 18015 1 753 . 1 1 62 62 GLU HB2 H 1 1.809 0.020 . 2 . . . A 60 GLU HB2 . 18015 1 754 . 1 1 62 62 GLU HB3 H 1 1.809 0.020 . 2 . . . A 60 GLU HB3 . 18015 1 755 . 1 1 62 62 GLU HG2 H 1 2.030 0.020 . 2 . . . A 60 GLU HG2 . 18015 1 756 . 1 1 62 62 GLU HG3 H 1 2.030 0.020 . 2 . . . A 60 GLU HG3 . 18015 1 757 . 1 1 62 62 GLU CA C 13 56.923 0.400 . 1 . . . A 60 GLU CA . 18015 1 758 . 1 1 62 62 GLU CB C 13 30.001 0.400 . 1 . . . A 60 GLU CB . 18015 1 759 . 1 1 62 62 GLU CG C 13 36.596 0.400 . 1 . . . A 60 GLU CG . 18015 1 760 . 1 1 62 62 GLU N N 15 119.450 0.400 . 1 . . . A 60 GLU N . 18015 1 761 . 1 1 63 63 GLU H H 1 7.889 0.020 . 1 . . . A 61 GLU H . 18015 1 762 . 1 1 63 63 GLU HA H 1 3.774 0.020 . 1 . . . A 61 GLU HA . 18015 1 763 . 1 1 63 63 GLU HB2 H 1 1.716 0.020 . 2 . . . A 61 GLU HB2 . 18015 1 764 . 1 1 63 63 GLU HB3 H 1 1.342 0.020 . 2 . . . A 61 GLU HB3 . 18015 1 765 . 1 1 63 63 GLU HG2 H 1 2.052 0.020 . 2 . . . A 61 GLU HG2 . 18015 1 766 . 1 1 63 63 GLU HG3 H 1 1.853 0.020 . 2 . . . A 61 GLU HG3 . 18015 1 767 . 1 1 63 63 GLU CA C 13 57.450 0.400 . 1 . . . A 61 GLU CA . 18015 1 768 . 1 1 63 63 GLU CB C 13 29.897 0.400 . 1 . . . A 61 GLU CB . 18015 1 769 . 1 1 63 63 GLU CG C 13 36.449 0.400 . 1 . . . A 61 GLU CG . 18015 1 770 . 1 1 63 63 GLU N N 15 120.134 0.400 . 1 . . . A 61 GLU N . 18015 1 771 . 1 1 64 64 PHE H H 1 7.731 0.020 . 1 . . . A 62 PHE H . 18015 1 772 . 1 1 64 64 PHE HA H 1 4.578 0.020 . 1 . . . A 62 PHE HA . 18015 1 773 . 1 1 64 64 PHE HB2 H 1 3.037 0.020 . 2 . . . A 62 PHE HB2 . 18015 1 774 . 1 1 64 64 PHE HB3 H 1 3.037 0.020 . 2 . . . A 62 PHE HB3 . 18015 1 775 . 1 1 64 64 PHE HD1 H 1 7.103 0.020 . 3 . . . A 62 PHE HD1 . 18015 1 776 . 1 1 64 64 PHE HD2 H 1 7.103 0.020 . 3 . . . A 62 PHE HD2 . 18015 1 777 . 1 1 64 64 PHE HE1 H 1 7.342 0.020 . 3 . . . A 62 PHE HE1 . 18015 1 778 . 1 1 64 64 PHE HE2 H 1 7.342 0.020 . 3 . . . A 62 PHE HE2 . 18015 1 779 . 1 1 64 64 PHE HZ H 1 7.295 0.020 . 1 . . . A 62 PHE HZ . 18015 1 780 . 1 1 64 64 PHE CA C 13 56.961 0.400 . 1 . . . A 62 PHE CA . 18015 1 781 . 1 1 64 64 PHE CB C 13 39.297 0.400 . 1 . . . A 62 PHE CB . 18015 1 782 . 1 1 64 64 PHE CD2 C 13 131.804 0.400 . 3 . . . A 62 PHE CD2 . 18015 1 783 . 1 1 64 64 PHE CE2 C 13 131.760 0.400 . 3 . . . A 62 PHE CE2 . 18015 1 784 . 1 1 64 64 PHE CZ C 13 129.932 0.400 . 1 . . . A 62 PHE CZ . 18015 1 785 . 1 1 64 64 PHE N N 15 118.794 0.400 . 1 . . . A 62 PHE N . 18015 1 786 . 1 1 65 65 ILE H H 1 7.802 0.020 . 1 . . . A 63 ILE H . 18015 1 787 . 1 1 65 65 ILE HA H 1 4.130 0.020 . 1 . . . A 63 ILE HA . 18015 1 788 . 1 1 65 65 ILE HB H 1 1.794 0.020 . 1 . . . A 63 ILE HB . 18015 1 789 . 1 1 65 65 ILE HG12 H 1 1.397 0.020 . 2 . . . A 63 ILE HG12 . 18015 1 790 . 1 1 65 65 ILE HG13 H 1 1.108 0.020 . 2 . . . A 63 ILE HG13 . 18015 1 791 . 1 1 65 65 ILE HG21 H 1 0.845 0.020 . 1 . . . A 63 ILE HG21 . 18015 1 792 . 1 1 65 65 ILE HG22 H 1 0.845 0.020 . 1 . . . A 63 ILE HG22 . 18015 1 793 . 1 1 65 65 ILE HG23 H 1 0.845 0.020 . 1 . . . A 63 ILE HG23 . 18015 1 794 . 1 1 65 65 ILE HD11 H 1 0.839 0.020 . 1 . . . A 63 ILE HD11 . 18015 1 795 . 1 1 65 65 ILE HD12 H 1 0.839 0.020 . 1 . . . A 63 ILE HD12 . 18015 1 796 . 1 1 65 65 ILE HD13 H 1 0.839 0.020 . 1 . . . A 63 ILE HD13 . 18015 1 797 . 1 1 65 65 ILE CA C 13 60.934 0.400 . 1 . . . A 63 ILE CA . 18015 1 798 . 1 1 65 65 ILE CB C 13 38.543 0.400 . 1 . . . A 63 ILE CB . 18015 1 799 . 1 1 65 65 ILE CG1 C 13 27.181 0.400 . 1 . . . A 63 ILE CG1 . 18015 1 800 . 1 1 65 65 ILE CG2 C 13 17.316 0.400 . 1 . . . A 63 ILE CG2 . 18015 1 801 . 1 1 65 65 ILE CD1 C 13 12.531 0.400 . 1 . . . A 63 ILE CD1 . 18015 1 802 . 1 1 65 65 ILE N N 15 123.529 0.400 . 1 . . . A 63 ILE N . 18015 1 803 . 1 1 66 66 VAL H H 1 8.292 0.020 . 1 . . . A 64 VAL H . 18015 1 804 . 1 1 66 66 VAL HA H 1 4.197 0.020 . 1 . . . A 64 VAL HA . 18015 1 805 . 1 1 66 66 VAL HB H 1 2.097 0.020 . 1 . . . A 64 VAL HB . 18015 1 806 . 1 1 66 66 VAL HG11 H 1 1.001 0.020 . 2 . . . A 64 VAL HG11 . 18015 1 807 . 1 1 66 66 VAL HG12 H 1 1.001 0.020 . 2 . . . A 64 VAL HG12 . 18015 1 808 . 1 1 66 66 VAL HG13 H 1 1.001 0.020 . 2 . . . A 64 VAL HG13 . 18015 1 809 . 1 1 66 66 VAL HG21 H 1 0.997 0.020 . 2 . . . A 64 VAL HG21 . 18015 1 810 . 1 1 66 66 VAL HG22 H 1 0.997 0.020 . 2 . . . A 64 VAL HG22 . 18015 1 811 . 1 1 66 66 VAL HG23 H 1 0.997 0.020 . 2 . . . A 64 VAL HG23 . 18015 1 812 . 1 1 66 66 VAL CA C 13 62.225 0.400 . 1 . . . A 64 VAL CA . 18015 1 813 . 1 1 66 66 VAL CB C 13 32.811 0.400 . 1 . . . A 64 VAL CB . 18015 1 814 . 1 1 66 66 VAL CG1 C 13 20.994 0.400 . 2 . . . A 64 VAL CG1 . 18015 1 815 . 1 1 66 66 VAL CG2 C 13 21.303 0.400 . 2 . . . A 64 VAL CG2 . 18015 1 816 . 1 1 66 66 VAL N N 15 125.799 0.400 . 1 . . . A 64 VAL N . 18015 1 817 . 1 1 67 67 THR H H 1 8.353 0.020 . 1 . . . A 65 THR H . 18015 1 818 . 1 1 67 67 THR HA H 1 4.440 0.020 . 1 . . . A 65 THR HA . 18015 1 819 . 1 1 67 67 THR HB H 1 4.290 0.020 . 1 . . . A 65 THR HB . 18015 1 820 . 1 1 67 67 THR HG21 H 1 1.204 0.020 . 1 . . . A 65 THR HG21 . 18015 1 821 . 1 1 67 67 THR HG22 H 1 1.204 0.020 . 1 . . . A 65 THR HG22 . 18015 1 822 . 1 1 67 67 THR HG23 H 1 1.204 0.020 . 1 . . . A 65 THR HG23 . 18015 1 823 . 1 1 67 67 THR CA C 13 61.236 0.400 . 1 . . . A 65 THR CA . 18015 1 824 . 1 1 67 67 THR CB C 13 70.114 0.400 . 1 . . . A 65 THR CB . 18015 1 825 . 1 1 67 67 THR CG2 C 13 21.272 0.400 . 1 . . . A 65 THR CG2 . 18015 1 826 . 1 1 67 67 THR N N 15 118.825 0.400 . 1 . . . A 65 THR N . 18015 1 827 . 1 1 68 68 ASP H H 1 8.003 0.020 . 1 . . . A 66 ASP H . 18015 1 828 . 1 1 68 68 ASP HA H 1 4.426 0.020 . 1 . . . A 66 ASP HA . 18015 1 829 . 1 1 68 68 ASP HB2 H 1 2.690 0.020 . 2 . . . A 66 ASP HB2 . 18015 1 830 . 1 1 68 68 ASP HB3 H 1 2.577 0.020 . 2 . . . A 66 ASP HB3 . 18015 1 831 . 1 1 68 68 ASP CA C 13 55.922 0.400 . 1 . . . A 66 ASP CA . 18015 1 832 . 1 1 68 68 ASP CB C 13 42.144 0.400 . 1 . . . A 66 ASP CB . 18015 1 833 . 1 1 68 68 ASP N N 15 128.451 0.400 . 1 . . . A 66 ASP N . 18015 1 stop_ save_