data_19074 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19074 _Entry.Title ; 1H, 13C, 15N chemical shift assignments of Dido PHD domain in complex with peptide H3K4me3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-05 _Entry.Accession_date 2013-03-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Clara Santiveri . M . 19074 2 Jose Perez-Canadillas . M . 19074 3 'M Angeles' Jimenez . . . 19074 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' . 19074 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PHD domain' . 19074 protein . 19074 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19074 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 267 19074 '15N chemical shifts' 66 19074 '1H chemical shifts' 383 19074 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-08-07 2013-03-05 update BMRB 'update entry citation' 19074 1 . . 2013-05-30 2013-03-05 original author 'original release' 19074 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18963 'Free Dido PHD domain' 19074 PDB 2M3H 'NMR solution structure of free Dido PHD domain' 19074 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19074 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23579637 _Citation.Full_citation . _Citation.Title 'NMR structure note: PHD domain from death inducer obliterator protein and its interaction with H3K4me3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 56 _Citation.Journal_issue 2 _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 183 _Citation.Page_last 190 _Citation.Year 2013 _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 Clara Santiveri . M. . 19074 1 2 'M. Flor' Garcia-Mayoral . . . 19074 1 3 Jose Perez-Canadillas . M. . 19074 1 4 'M. Angeles' Jimenez . . . 19074 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Dido 19074 1 H3K4me3 19074 1 'PHD domain' 19074 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19074 _Assembly.ID 1 _Assembly.Name DidoPHD/H3K4me3 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 entity_1 1 $Dido_PHD A . yes native no no . . . 19074 1 2 entity_2 2 $H3K4me3 B . no native no no . . . 19074 1 3 'ZINC ION_1' 3 $entity_ZN C . no native no no . . . 19074 1 4 'ZINC ION_2' 3 $entity_ZN D . no native no no . . . 19074 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dido_PHD _Entity.Sf_category entity _Entity.Sf_framecode Dido_PHD _Entity.Entry_ID 19074 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dido_PHD _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 ; GSMDPNALYCICRQPHNNRF MICCDRCEEWFHGDCVGISE ARGRLLERNGEDYICPNCTI L ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-3, GSM, are the cloning tag. Residues 4-61 correspond to residues 265-322 from human Dido or to residues 262-319 from mouse Dido. ; _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 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7048.059 _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 yes UNP Q9BTC0 . "human Dido" . . . . . . . . . . . . . . 19074 1 2 yes UNP Q8C9B9 . "mouse Dido" . . . . . . . . . . . . . . 19074 1 3 no BMRB 18963 . Dido_PHD . . . . . 100.00 61 100.00 100.00 1.78e-36 . . . . 19074 1 4 no PDB 1WEM . "Solution Structure Of Phd Domain In Death Inducer- Obliterator 1(Dio-1)" . . . . . 95.08 76 100.00 100.00 1.12e-34 . . . . 19074 1 5 no PDB 2M3H . "Structure Of Dido Phd Domain" . . . . . 100.00 61 100.00 100.00 1.78e-36 . . . . 19074 1 6 no PDB 4L7X . "Crystal Structure Of The Dido Phd Finger In Complex With H3k4me3" . . . . . 93.44 63 100.00 100.00 2.08e-33 . . . . 19074 1 7 no DBJ BAA20791 . "KIAA0333 [Homo sapiens]" . . . . . 95.08 1189 100.00 100.00 3.34e-38 . . . . 19074 1 8 no DBJ BAA92094 . "unnamed protein product [Homo sapiens]" . . . . . 95.08 562 100.00 100.00 3.34e-36 . . . . 19074 1 9 no DBJ BAC31270 . "unnamed protein product [Mus musculus]" . . . . . 95.08 614 100.00 100.00 1.06e-36 . . . . 19074 1 10 no DBJ BAC97927 . "mKIAA0333 protein [Mus musculus]" . . . . . 95.08 1201 100.00 100.00 2.76e-38 . . . . 19074 1 11 no DBJ BAE88140 . "unnamed protein product [Macaca fascicularis]" . . . . . 67.21 281 100.00 100.00 1.26e-20 . . . . 19074 1 12 no EMBL CAB48401 . "death inducer-obliterator-1 [Mus musculus]" . . . . . 95.08 614 100.00 100.00 1.15e-36 . . . . 19074 1 13 no EMBL CAG31367 . "hypothetical protein RCJMB04_5h22 [Gallus gallus]" . . . . . 95.08 660 100.00 100.00 2.17e-38 . . . . 19074 1 14 no EMBL CAH89967 . "hypothetical protein [Pongo abelii]" . . . . . 95.08 562 100.00 100.00 5.88e-36 . . . . 19074 1 15 no GB AAH00770 . "DIDO1 protein [Homo sapiens]" . . . . . 95.08 544 100.00 100.00 1.43e-36 . . . . 19074 1 16 no GB AAH04237 . "Death inducer-obliterator 1 [Homo sapiens]" . . . . . 95.08 562 100.00 100.00 3.34e-36 . . . . 19074 1 17 no GB AAH14489 . "Death inducer-obliterator 1 [Homo sapiens]" . . . . . 95.08 562 100.00 100.00 3.34e-36 . . . . 19074 1 18 no GB AAH29110 . "Dido1 protein, partial [Mus musculus]" . . . . . 95.08 436 100.00 100.00 5.99e-36 . . . . 19074 1 19 no GB AAH96662 . "Dido1 protein [Mus musculus]" . . . . . 95.08 614 100.00 100.00 9.29e-37 . . . . 19074 1 20 no REF NP_001124926 . "death-inducer obliterator 1 [Pongo abelii]" . . . . . 95.08 562 100.00 100.00 5.88e-36 . . . . 19074 1 21 no REF NP_001180298 . "death-inducer obliterator 1 isoform c [Homo sapiens]" . . . . . 95.08 2240 100.00 100.00 4.41e-38 . . . . 19074 1 22 no REF NP_001180299 . "death-inducer obliterator 1 isoform b [Homo sapiens]" . . . . . 95.08 1189 100.00 100.00 3.34e-38 . . . . 19074 1 23 no REF NP_001278361 . "death-inducer obliterator 1 Dido1 [Mus musculus]" . . . . . 95.08 614 100.00 100.00 9.29e-37 . . . . 19074 1 24 no REF NP_001278362 . "death-inducer obliterator 1 Dido2 [Mus musculus]" . . . . . 95.08 1183 100.00 100.00 2.71e-38 . . . . 19074 1 25 no SP Q8C9B9 . "RecName: Full=Death-inducer obliterator 1; Short=DIO-1; AltName: Full=Death-associated transcription factor 1; Short=DATF-1" . . . . . 95.08 2256 100.00 100.00 4.42e-38 . . . . 19074 1 26 no SP Q9BTC0 . "RecName: Full=Death-inducer obliterator 1; Short=DIO-1; Short=hDido1; AltName: Full=Death-associated transcription factor 1; Sh" . . . . . 95.08 2240 100.00 100.00 4.41e-38 . . . . 19074 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 . GLY . 19074 1 2 . SER . 19074 1 3 . MET . 19074 1 4 . ASP . 19074 1 5 . PRO . 19074 1 6 . ASN . 19074 1 7 . ALA . 19074 1 8 . LEU . 19074 1 9 . TYR . 19074 1 10 . CYS . 19074 1 11 . ILE . 19074 1 12 . CYS . 19074 1 13 . ARG . 19074 1 14 . GLN . 19074 1 15 . PRO . 19074 1 16 . HIS . 19074 1 17 . ASN . 19074 1 18 . ASN . 19074 1 19 . ARG . 19074 1 20 . PHE . 19074 1 21 . MET . 19074 1 22 . ILE . 19074 1 23 . CYS . 19074 1 24 . CYS . 19074 1 25 . ASP . 19074 1 26 . ARG . 19074 1 27 . CYS . 19074 1 28 . GLU . 19074 1 29 . GLU . 19074 1 30 . TRP . 19074 1 31 . PHE . 19074 1 32 . HIS . 19074 1 33 . GLY . 19074 1 34 . ASP . 19074 1 35 . CYS . 19074 1 36 . VAL . 19074 1 37 . GLY . 19074 1 38 . ILE . 19074 1 39 . SER . 19074 1 40 . GLU . 19074 1 41 . ALA . 19074 1 42 . ARG . 19074 1 43 . GLY . 19074 1 44 . ARG . 19074 1 45 . LEU . 19074 1 46 . LEU . 19074 1 47 . GLU . 19074 1 48 . ARG . 19074 1 49 . ASN . 19074 1 50 . GLY . 19074 1 51 . GLU . 19074 1 52 . ASP . 19074 1 53 . TYR . 19074 1 54 . ILE . 19074 1 55 . CYS . 19074 1 56 . PRO . 19074 1 57 . ASN . 19074 1 58 . CYS . 19074 1 59 . THR . 19074 1 60 . ILE . 19074 1 61 . LEU . 19074 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 19074 1 . SER 2 2 19074 1 . MET 3 3 19074 1 . ASP 4 4 19074 1 . PRO 5 5 19074 1 . ASN 6 6 19074 1 . ALA 7 7 19074 1 . LEU 8 8 19074 1 . TYR 9 9 19074 1 . CYS 10 10 19074 1 . ILE 11 11 19074 1 . CYS 12 12 19074 1 . ARG 13 13 19074 1 . GLN 14 14 19074 1 . PRO 15 15 19074 1 . HIS 16 16 19074 1 . ASN 17 17 19074 1 . ASN 18 18 19074 1 . ARG 19 19 19074 1 . PHE 20 20 19074 1 . MET 21 21 19074 1 . ILE 22 22 19074 1 . CYS 23 23 19074 1 . CYS 24 24 19074 1 . ASP 25 25 19074 1 . ARG 26 26 19074 1 . CYS 27 27 19074 1 . GLU 28 28 19074 1 . GLU 29 29 19074 1 . TRP 30 30 19074 1 . PHE 31 31 19074 1 . HIS 32 32 19074 1 . GLY 33 33 19074 1 . ASP 34 34 19074 1 . CYS 35 35 19074 1 . VAL 36 36 19074 1 . GLY 37 37 19074 1 . ILE 38 38 19074 1 . SER 39 39 19074 1 . GLU 40 40 19074 1 . ALA 41 41 19074 1 . ARG 42 42 19074 1 . GLY 43 43 19074 1 . ARG 44 44 19074 1 . LEU 45 45 19074 1 . LEU 46 46 19074 1 . GLU 47 47 19074 1 . ARG 48 48 19074 1 . ASN 49 49 19074 1 . GLY 50 50 19074 1 . GLU 51 51 19074 1 . ASP 52 52 19074 1 . TYR 53 53 19074 1 . ILE 54 54 19074 1 . CYS 55 55 19074 1 . PRO 56 56 19074 1 . ASN 57 57 19074 1 . CYS 58 58 19074 1 . THR 59 59 19074 1 . ILE 60 60 19074 1 . LEU 61 61 19074 1 stop_ save_ save_H3K4me3 _Entity.Sf_category entity _Entity.Sf_framecode H3K4me3 _Entity.Entry_ID 19074 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Dido_PHD _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 ; GSMDPNALYCICRQPHNNRF MICCDRCEEWFHGDCVGISE ARGRLLERNGEDYICPNCTI L ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-3, GSM, are the cloning tag. Residues 4-61 correspond to residues 265-322 from human Dido or to residues 262-319 from mouse Dido. ; _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 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7048.059 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 yes UNP Q9BTC0 . "human Dido" . . . . . . . . . . . . . . 19074 2 2 yes UNP Q8C9B9 . "mouse Dido" . . . . . . . . . . . . . . 19074 2 3 no BMRB 18963 . Dido_PHD . . . . . 100.00 61 100.00 100.00 1.21e-36 . . . . 19074 2 4 no PDB 1WEM . "Solution Structure Of Phd Domain In Death Inducer- Obliterator 1(Dio-1)" . . . . . 95.08 76 100.00 100.00 7.62e-35 . . . . 19074 2 5 no PDB 2M3H . "Structure Of Dido Phd Domain" . . . . . 100.00 61 100.00 100.00 1.21e-36 . . . . 19074 2 6 no PDB 4L7X . "Crystal Structure Of The Dido Phd Finger In Complex With H3k4me3" . . . . . 93.44 63 100.00 100.00 1.42e-33 . . . . 19074 2 7 no DBJ BAA20791 . "KIAA0333 [Homo sapiens]" . . . . . 95.08 1223 100.00 100.00 1.92e-38 . . . . 19074 2 8 no DBJ BAA92094 . "unnamed protein product [Homo sapiens]" . . . . . 95.08 562 100.00 100.00 2.27e-36 . . . . 19074 2 9 no DBJ BAC31270 . "unnamed protein product [Mus musculus]" . . . . . 95.08 614 100.00 100.00 7.21e-37 . . . . 19074 2 10 no DBJ BAC97927 . "mKIAA0333 protein [Mus musculus]" . . . . . 95.08 1201 100.00 100.00 1.88e-38 . . . . 19074 2 11 no DBJ BAE88140 . "unnamed protein product [Macaca fascicularis]" . . . . . 67.21 281 100.00 100.00 8.58e-21 . . . . 19074 2 12 no EMBL CAB48401 . "death inducer-obliterator-1 [Mus musculus]" . . . . . 95.08 614 100.00 100.00 7.82e-37 . . . . 19074 2 13 no EMBL CAG31367 . "hypothetical protein RCJMB04_5h22 [Gallus gallus]" . . . . . 95.08 660 100.00 100.00 1.48e-38 . . . . 19074 2 14 no EMBL CAH89967 . "hypothetical protein [Pongo abelii]" . . . . . 95.08 562 100.00 100.00 4.00e-36 . . . . 19074 2 15 no GB AAH00770 . "DIDO1 protein [Homo sapiens]" . . . . . 95.08 544 100.00 100.00 9.75e-37 . . . . 19074 2 16 no GB AAH04237 . "Death inducer-obliterator 1 [Homo sapiens]" . . . . . 95.08 562 100.00 100.00 2.27e-36 . . . . 19074 2 17 no GB AAH14489 . "Death inducer-obliterator 1 [Homo sapiens]" . . . . . 95.08 562 100.00 100.00 2.27e-36 . . . . 19074 2 18 no GB AAH29110 . "Dido1 protein, partial [Mus musculus]" . . . . . 95.08 436 100.00 100.00 4.08e-36 . . . . 19074 2 19 no GB AAH96662 . "Dido1 protein [Mus musculus]" . . . . . 95.08 614 100.00 100.00 6.32e-37 . . . . 19074 2 20 no REF NP_001124926 . "death-inducer obliterator 1 [Pongo abelii]" . . . . . 95.08 562 100.00 100.00 4.00e-36 . . . . 19074 2 21 no REF NP_001180298 . "death-inducer obliterator 1 isoform c [Homo sapiens]" . . . . . 95.08 2240 100.00 100.00 3.00e-38 . . . . 19074 2 22 no REF NP_001180299 . "death-inducer obliterator 1 isoform b [Homo sapiens]" . . . . . 95.08 1189 100.00 100.00 2.28e-38 . . . . 19074 2 23 no REF NP_001278361 . "death-inducer obliterator 1 Dido1 [Mus musculus]" . . . . . 95.08 614 100.00 100.00 6.32e-37 . . . . 19074 2 24 no REF NP_001278362 . "death-inducer obliterator 1 Dido2 [Mus musculus]" . . . . . 95.08 1183 100.00 100.00 1.84e-38 . . . . 19074 2 25 no SP Q8C9B9 . "RecName: Full=Death-inducer obliterator 1; Short=DIO-1; AltName: Full=Death-associated transcription factor 1; Short=DATF-1 [Mu" . . . . . 95.08 2256 100.00 100.00 3.01e-38 . . . . 19074 2 26 no SP Q9BTC0 . "RecName: Full=Death-inducer obliterator 1; Short=DIO-1; Short=hDido1; AltName: Full=Death-associated transcription factor 1; Sh" . . . . . 95.08 2240 100.00 100.00 3.00e-38 . . . . 19074 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19074 2 2 . SER . 19074 2 3 . MET . 19074 2 4 . ASP . 19074 2 5 . PRO . 19074 2 6 . ASN . 19074 2 7 . ALA . 19074 2 8 . LEU . 19074 2 9 . TYR . 19074 2 10 . CYS . 19074 2 11 . ILE . 19074 2 12 . CYS . 19074 2 13 . ARG . 19074 2 14 . GLN . 19074 2 15 . PRO . 19074 2 16 . HIS . 19074 2 17 . ASN . 19074 2 18 . ASN . 19074 2 19 . ARG . 19074 2 20 . PHE . 19074 2 21 . MET . 19074 2 22 . ILE . 19074 2 23 . CYS . 19074 2 24 . CYS . 19074 2 25 . ASP . 19074 2 26 . ARG . 19074 2 27 . CYS . 19074 2 28 . GLU . 19074 2 29 . GLU . 19074 2 30 . TRP . 19074 2 31 . PHE . 19074 2 32 . HIS . 19074 2 33 . GLY . 19074 2 34 . ASP . 19074 2 35 . CYS . 19074 2 36 . VAL . 19074 2 37 . GLY . 19074 2 38 . ILE . 19074 2 39 . SER . 19074 2 40 . GLU . 19074 2 41 . ALA . 19074 2 42 . ARG . 19074 2 43 . GLY . 19074 2 44 . ARG . 19074 2 45 . LEU . 19074 2 46 . LEU . 19074 2 47 . GLU . 19074 2 48 . ARG . 19074 2 49 . ASN . 19074 2 50 . GLY . 19074 2 51 . GLU . 19074 2 52 . ASP . 19074 2 53 . TYR . 19074 2 54 . ILE . 19074 2 55 . CYS . 19074 2 56 . PRO . 19074 2 57 . ASN . 19074 2 58 . CYS . 19074 2 59 . THR . 19074 2 60 . ILE . 19074 2 61 . LEU . 19074 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 . GLY 1 1 19074 2 . SER 2 2 19074 2 . MET 3 3 19074 2 . ASP 4 4 19074 2 . PRO 5 5 19074 2 . ASN 6 6 19074 2 . ALA 7 7 19074 2 . LEU 8 8 19074 2 . TYR 9 9 19074 2 . CYS 10 10 19074 2 . ILE 11 11 19074 2 . CYS 12 12 19074 2 . ARG 13 13 19074 2 . GLN 14 14 19074 2 . PRO 15 15 19074 2 . HIS 16 16 19074 2 . ASN 17 17 19074 2 . ASN 18 18 19074 2 . ARG 19 19 19074 2 . PHE 20 20 19074 2 . MET 21 21 19074 2 . ILE 22 22 19074 2 . CYS 23 23 19074 2 . CYS 24 24 19074 2 . ASP 25 25 19074 2 . ARG 26 26 19074 2 . CYS 27 27 19074 2 . GLU 28 28 19074 2 . GLU 29 29 19074 2 . TRP 30 30 19074 2 . PHE 31 31 19074 2 . HIS 32 32 19074 2 . GLY 33 33 19074 2 . ASP 34 34 19074 2 . CYS 35 35 19074 2 . VAL 36 36 19074 2 . GLY 37 37 19074 2 . ILE 38 38 19074 2 . SER 39 39 19074 2 . GLU 40 40 19074 2 . ALA 41 41 19074 2 . ARG 42 42 19074 2 . GLY 43 43 19074 2 . ARG 44 44 19074 2 . LEU 45 45 19074 2 . LEU 46 46 19074 2 . GLU 47 47 19074 2 . ARG 48 48 19074 2 . ASN 49 49 19074 2 . GLY 50 50 19074 2 . GLU 51 51 19074 2 . ASP 52 52 19074 2 . TYR 53 53 19074 2 . ILE 54 54 19074 2 . CYS 55 55 19074 2 . PRO 56 56 19074 2 . ASN 57 57 19074 2 . CYS 58 58 19074 2 . THR 59 59 19074 2 . ILE 60 60 19074 2 . LEU 61 61 19074 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19074 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19074 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19074 3 ZN 'Three letter code' 19074 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19074 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19074 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 19074 _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 $Dido_PHD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19074 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 19074 _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 $Dido_PHD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 19074 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19074 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19074 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19074 ZN [Zn++] SMILES CACTVS 3.341 19074 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19074 ZN [Zn+2] SMILES ACDLabs 10.04 19074 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19074 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19074 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19074 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19074 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19074 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19074 _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 'Dido PHD' '[U-99% 13C; U-99% 15N]' . . 1 $Dido_PHD . . 0.1 . . mM . . . . 19074 1 2 H3K4me3 'natural abundance' . . 2 $H3K4me3 . . 0.4 . . mM . . . . 19074 1 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . uM . . . . 19074 1 4 TCEP 'natural abundance' . . . . . . 100 . . uM . . . . 19074 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 19074 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19074 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19074 1 8 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 19074 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19074 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 19074 1 pH 6.5 . pH 19074 1 pressure 1 . atm 19074 1 temperature 298 . K 19074 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19074 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19074 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19074 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 19074 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19074 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19074 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19074 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19074 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19074 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19074 1 7 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19074 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19074 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19074 _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 . . . . . . . . . 19074 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19074 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19074 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 19074 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 19074 1 2 '2D 1H-13C HSQC aliphatic' . . . 19074 1 3 '3D HNCO' . . . 19074 1 4 '3D HNCA' . . . 19074 1 5 '3D HNCACB' . . . 19074 1 6 '3D CBCA(CO)NH' . . . 19074 1 7 '2D 1H-13C HSQC aromatic' . . . 19074 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.90 0.01 . 2 . . . . 1 GLY HA2 . 19074 1 2 . 1 1 1 1 GLY HA3 H 1 3.90 0.01 . 2 . . . . 1 GLY HA3 . 19074 1 3 . 1 1 1 1 GLY CA C 13 43.5 0.1 . 1 . . . . 1 GLY CA . 19074 1 4 . 1 1 2 2 SER HA H 1 4.47 0.01 . 1 . . . . 2 SER HA . 19074 1 5 . 1 1 2 2 SER HB2 H 1 3.84 0.01 . 2 . . . . 2 SER HB2 . 19074 1 6 . 1 1 2 2 SER HB3 H 1 3.88 0.01 . 2 . . . . 2 SER HB3 . 19074 1 7 . 1 1 2 2 SER C C 13 174.5 0.1 . 1 . . . . 2 SER C . 19074 1 8 . 1 1 2 2 SER CA C 13 58.6 0.1 . 1 . . . . 2 SER CA . 19074 1 9 . 1 1 2 2 SER CB C 13 63.9 0.1 . 1 . . . . 2 SER CB . 19074 1 10 . 1 1 3 3 MET H H 1 8.56 0.01 . 1 . . . . 3 MET H . 19074 1 11 . 1 1 3 3 MET HA H 1 4.52 0.01 . 1 . . . . 3 MET HA . 19074 1 12 . 1 1 3 3 MET HB2 H 1 1.96 0.01 . 2 . . . . 3 MET HB2 . 19074 1 13 . 1 1 3 3 MET HB3 H 1 2.08 0.01 . 2 . . . . 3 MET HB3 . 19074 1 14 . 1 1 3 3 MET HG2 H 1 1.89 0.01 . 2 . . . . 3 MET HG2 . 19074 1 15 . 1 1 3 3 MET HG3 H 1 1.94 0.01 . 2 . . . . 3 MET HG3 . 19074 1 16 . 1 1 3 3 MET HE1 H 1 2.07 0.01 . 1 . . . . 3 MET HE . 19074 1 17 . 1 1 3 3 MET HE2 H 1 2.07 0.01 . 1 . . . . 3 MET HE . 19074 1 18 . 1 1 3 3 MET HE3 H 1 2.07 0.01 . 1 . . . . 3 MET HE . 19074 1 19 . 1 1 3 3 MET C C 13 175.6 0.1 . 1 . . . . 3 MET C . 19074 1 20 . 1 1 3 3 MET CA C 13 55.1 0.1 . 1 . . . . 3 MET CA . 19074 1 21 . 1 1 3 3 MET CB C 13 32.5 0.1 . 1 . . . . 3 MET CB . 19074 1 22 . 1 1 3 3 MET CG C 13 32.1 0.1 . 1 . . . . 3 MET CG . 19074 1 23 . 1 1 3 3 MET CE C 13 16.9 0.1 . 1 . . . . 3 MET CE . 19074 1 24 . 1 1 3 3 MET N N 15 122.1 0.1 . 1 . . . . 3 MET N . 19074 1 25 . 1 1 4 4 ASP H H 1 8.34 0.01 . 1 . . . . 4 ASP H . 19074 1 26 . 1 1 4 4 ASP HB2 H 1 2.62 0.01 . 2 . . . . 4 ASP HB2 . 19074 1 27 . 1 1 4 4 ASP HB3 H 1 2.80 0.01 . 2 . . . . 4 ASP HB3 . 19074 1 28 . 1 1 4 4 ASP C C 13 175.5 0.1 . 1 . . . . 4 ASP C . 19074 1 29 . 1 1 4 4 ASP CA C 13 51.9 0.1 . 1 . . . . 4 ASP CA . 19074 1 30 . 1 1 4 4 ASP CB C 13 41.7 0.1 . 1 . . . . 4 ASP CB . 19074 1 31 . 1 1 4 4 ASP N N 15 123.9 0.1 . 1 . . . . 4 ASP N . 19074 1 32 . 1 1 5 5 PRO HA H 1 4.46 0.01 . 1 . . . . 5 PRO HA . 19074 1 33 . 1 1 5 5 PRO HB2 H 1 1.97 0.01 . 2 . . . . 5 PRO HB2 . 19074 1 34 . 1 1 5 5 PRO HB3 H 1 2.35 0.01 . 2 . . . . 5 PRO HB3 . 19074 1 35 . 1 1 5 5 PRO HG2 H 1 1.98 0.01 . 2 . . . . 5 PRO HG2 . 19074 1 36 . 1 1 5 5 PRO HG3 H 1 2.06 0.01 . 2 . . . . 5 PRO HG3 . 19074 1 37 . 1 1 5 5 PRO HD2 H 1 3.94 0.01 . 2 . . . . 5 PRO HD2 . 19074 1 38 . 1 1 5 5 PRO HD3 H 1 3.94 0.01 . 2 . . . . 5 PRO HD3 . 19074 1 39 . 1 1 5 5 PRO C C 13 177.2 0.1 . 1 . . . . 5 PRO C . 19074 1 40 . 1 1 5 5 PRO CA C 13 64.3 0.1 . 1 . . . . 5 PRO CA . 19074 1 41 . 1 1 5 5 PRO CB C 13 32.1 0.1 . 1 . . . . 5 PRO CB . 19074 1 42 . 1 1 5 5 PRO CG C 13 27.0 0.1 . 1 . . . . 5 PRO CG . 19074 1 43 . 1 1 5 5 PRO CD C 13 51.1 0.1 . 1 . . . . 5 PRO CD . 19074 1 44 . 1 1 6 6 ASN H H 1 8.56 0.01 . 1 . . . . 6 ASN H . 19074 1 45 . 1 1 6 6 ASN HB2 H 1 2.69 0.01 . 2 . . . . 6 ASN HB2 . 19074 1 46 . 1 1 6 6 ASN HB3 H 1 2.84 0.01 . 2 . . . . 6 ASN HB3 . 19074 1 47 . 1 1 6 6 ASN HD21 H 1 6.96 0.01 . 2 . . . . 6 ASN HD21 . 19074 1 48 . 1 1 6 6 ASN HD22 H 1 7.78 0.01 . 2 . . . . 6 ASN HD22 . 19074 1 49 . 1 1 6 6 ASN C C 13 174.5 0.1 . 1 . . . . 6 ASN C . 19074 1 50 . 1 1 6 6 ASN CA C 13 52.7 0.1 . 1 . . . . 6 ASN CA . 19074 1 51 . 1 1 6 6 ASN CB C 13 38.9 0.1 . 1 . . . . 6 ASN CB . 19074 1 52 . 1 1 6 6 ASN CG C 13 177.5 0.1 . 1 . . . . 6 ASN CG . 19074 1 53 . 1 1 6 6 ASN N N 15 117.3 0.1 . 1 . . . . 6 ASN N . 19074 1 54 . 1 1 6 6 ASN ND2 N 15 114.2 0.1 . 1 . . . . 6 ASN ND2 . 19074 1 55 . 1 1 7 7 ALA H H 1 7.35 0.01 . 1 . . . . 7 ALA H . 19074 1 56 . 1 1 7 7 ALA HA H 1 3.92 0.01 . 1 . . . . 7 ALA HA . 19074 1 57 . 1 1 7 7 ALA HB1 H 1 1.19 0.01 . 1 . . . . 7 ALA HB . 19074 1 58 . 1 1 7 7 ALA HB2 H 1 1.19 0.01 . 1 . . . . 7 ALA HB . 19074 1 59 . 1 1 7 7 ALA HB3 H 1 1.19 0.01 . 1 . . . . 7 ALA HB . 19074 1 60 . 1 1 7 7 ALA C C 13 175.3 0.1 . 1 . . . . 7 ALA C . 19074 1 61 . 1 1 7 7 ALA CA C 13 52.7 0.1 . 1 . . . . 7 ALA CA . 19074 1 62 . 1 1 7 7 ALA CB C 13 19.0 0.1 . 1 . . . . 7 ALA CB . 19074 1 63 . 1 1 7 7 ALA N N 15 123.3 0.1 . 1 . . . . 7 ALA N . 19074 1 64 . 1 1 8 8 LEU H H 1 7.71 0.01 . 1 . . . . 8 LEU H . 19074 1 65 . 1 1 8 8 LEU HA H 1 3.88 0.01 . 1 . . . . 8 LEU HA . 19074 1 66 . 1 1 8 8 LEU HB2 H 1 0.61 0.01 . 2 . . . . 8 LEU HB2 . 19074 1 67 . 1 1 8 8 LEU HB3 H 1 1.51 0.01 . 2 . . . . 8 LEU HB3 . 19074 1 68 . 1 1 8 8 LEU HG H 1 1.57 0.01 . 1 . . . . 8 LEU HG . 19074 1 69 . 1 1 8 8 LEU HD11 H 1 0.60 0.01 . 2 . . . . 8 LEU HD1 . 19074 1 70 . 1 1 8 8 LEU HD12 H 1 0.60 0.01 . 2 . . . . 8 LEU HD1 . 19074 1 71 . 1 1 8 8 LEU HD13 H 1 0.60 0.01 . 2 . . . . 8 LEU HD1 . 19074 1 72 . 1 1 8 8 LEU HD21 H 1 0.81 0.01 . 2 . . . . 8 LEU HD2 . 19074 1 73 . 1 1 8 8 LEU HD22 H 1 0.81 0.01 . 2 . . . . 8 LEU HD2 . 19074 1 74 . 1 1 8 8 LEU HD23 H 1 0.81 0.01 . 2 . . . . 8 LEU HD2 . 19074 1 75 . 1 1 8 8 LEU C C 13 175.7 0.1 . 1 . . . . 8 LEU C . 19074 1 76 . 1 1 8 8 LEU CA C 13 53.3 0.1 . 1 . . . . 8 LEU CA . 19074 1 77 . 1 1 8 8 LEU CB C 13 43.0 0.1 . 1 . . . . 8 LEU CB . 19074 1 78 . 1 1 8 8 LEU CG C 13 26.2 0.1 . 1 . . . . 8 LEU CG . 19074 1 79 . 1 1 8 8 LEU CD1 C 13 21.3 0.1 . 1 . . . . 8 LEU CD1 . 19074 1 80 . 1 1 8 8 LEU CD2 C 13 24.9 0.1 . 1 . . . . 8 LEU CD2 . 19074 1 81 . 1 1 8 8 LEU N N 15 117.6 0.1 . 1 . . . . 8 LEU N . 19074 1 82 . 1 1 9 9 TYR H H 1 7.59 0.01 . 1 . . . . 9 TYR H . 19074 1 83 . 1 1 9 9 TYR HB2 H 1 1.95 0.01 . 2 . . . . 9 TYR HB2 . 19074 1 84 . 1 1 9 9 TYR HB3 H 1 3.13 0.01 . 2 . . . . 9 TYR HB3 . 19074 1 85 . 1 1 9 9 TYR HD1 H 1 7.20 0.01 . 3 . . . . 9 TYR HD1 . 19074 1 86 . 1 1 9 9 TYR HD2 H 1 7.20 0.01 . 3 . . . . 9 TYR HD2 . 19074 1 87 . 1 1 9 9 TYR HE1 H 1 6.92 0.01 . 3 . . . . 9 TYR HE1 . 19074 1 88 . 1 1 9 9 TYR HE2 H 1 6.92 0.01 . 3 . . . . 9 TYR HE2 . 19074 1 89 . 1 1 9 9 TYR C C 13 175.4 0.1 . 1 . . . . 9 TYR C . 19074 1 90 . 1 1 9 9 TYR CA C 13 57.2 0.1 . 1 . . . . 9 TYR CA . 19074 1 91 . 1 1 9 9 TYR CB C 13 44.8 0.1 . 1 . . . . 9 TYR CB . 19074 1 92 . 1 1 9 9 TYR CD1 C 13 134.0 0.1 . 3 . . . . 9 TYR CD1 . 19074 1 93 . 1 1 9 9 TYR CD2 C 13 134.0 0.1 . 3 . . . . 9 TYR CD2 . 19074 1 94 . 1 1 9 9 TYR CE1 C 13 117.5 0.1 . 3 . . . . 9 TYR CE1 . 19074 1 95 . 1 1 9 9 TYR CE2 C 13 117.5 0.1 . 3 . . . . 9 TYR CE2 . 19074 1 96 . 1 1 9 9 TYR N N 15 117.4 0.1 . 1 . . . . 9 TYR N . 19074 1 97 . 1 1 10 10 CYS H H 1 7.51 0.01 . 1 . . . . 10 CYS H . 19074 1 98 . 1 1 10 10 CYS HA H 1 3.82 0.01 . 1 . . . . 10 CYS HA . 19074 1 99 . 1 1 10 10 CYS HB2 H 1 2.42 0.01 . 2 . . . . 10 CYS HB2 . 19074 1 100 . 1 1 10 10 CYS C C 13 176.4 0.1 . 1 . . . . 10 CYS C . 19074 1 101 . 1 1 10 10 CYS CA C 13 59.1 0.1 . 1 . . . . 10 CYS CA . 19074 1 102 . 1 1 10 10 CYS CB C 13 29.4 0.1 . 1 . . . . 10 CYS CB . 19074 1 103 . 1 1 10 10 CYS N N 15 115.2 0.1 . 1 . . . . 10 CYS N . 19074 1 104 . 1 1 11 11 ILE H H 1 10.10 0.01 . 1 . . . . 11 ILE H . 19074 1 105 . 1 1 11 11 ILE HA H 1 4.46 0.01 . 1 . . . . 11 ILE HA . 19074 1 106 . 1 1 11 11 ILE HB H 1 2.21 0.01 . 1 . . . . 11 ILE HB . 19074 1 107 . 1 1 11 11 ILE HG12 H 1 1.54 0.01 . 2 . . . . 11 ILE HG12 . 19074 1 108 . 1 1 11 11 ILE HG13 H 1 1.81 0.01 . 2 . . . . 11 ILE HG13 . 19074 1 109 . 1 1 11 11 ILE HG21 H 1 1.28 0.01 . 1 . . . . 11 ILE HG2 . 19074 1 110 . 1 1 11 11 ILE HG22 H 1 1.28 0.01 . 1 . . . . 11 ILE HG2 . 19074 1 111 . 1 1 11 11 ILE HG23 H 1 1.28 0.01 . 1 . . . . 11 ILE HG2 . 19074 1 112 . 1 1 11 11 ILE HD11 H 1 1.05 0.01 . 1 . . . . 11 ILE HD1 . 19074 1 113 . 1 1 11 11 ILE HD12 H 1 1.05 0.01 . 1 . . . . 11 ILE HD1 . 19074 1 114 . 1 1 11 11 ILE HD13 H 1 1.05 0.01 . 1 . . . . 11 ILE HD1 . 19074 1 115 . 1 1 11 11 ILE C C 13 177.7 0.1 . 1 . . . . 11 ILE C . 19074 1 116 . 1 1 11 11 ILE CA C 13 64.1 0.1 . 1 . . . . 11 ILE CA . 19074 1 117 . 1 1 11 11 ILE CB C 13 38.9 0.1 . 1 . . . . 11 ILE CB . 19074 1 118 . 1 1 11 11 ILE CG1 C 13 28.1 0.1 . 1 . . . . 11 ILE CG1 . 19074 1 119 . 1 1 11 11 ILE CG2 C 13 19.1 0.1 . 1 . . . . 11 ILE CG2 . 19074 1 120 . 1 1 11 11 ILE CD1 C 13 14.0 0.1 . 1 . . . . 11 ILE CD1 . 19074 1 121 . 1 1 11 11 ILE N N 15 124.4 0.1 . 1 . . . . 11 ILE N . 19074 1 122 . 1 1 12 12 CYS H H 1 7.57 0.01 . 1 . . . . 12 CYS H . 19074 1 123 . 1 1 12 12 CYS HB2 H 1 3.21 0.01 . 2 . . . . 12 CYS HB2 . 19074 1 124 . 1 1 12 12 CYS HB3 H 1 3.30 0.01 . 2 . . . . 12 CYS HB3 . 19074 1 125 . 1 1 12 12 CYS C C 13 175.7 0.1 . 1 . . . . 12 CYS C . 19074 1 126 . 1 1 12 12 CYS CA C 13 58.3 0.1 . 1 . . . . 12 CYS CA . 19074 1 127 . 1 1 12 12 CYS CB C 13 31.0 0.1 . 1 . . . . 12 CYS CB . 19074 1 128 . 1 1 12 12 CYS N N 15 118.6 0.1 . 1 . . . . 12 CYS N . 19074 1 129 . 1 1 13 13 ARG H H 1 7.73 0.01 . 1 . . . . 13 ARG H . 19074 1 130 . 1 1 13 13 ARG HA H 1 3.66 0.01 . 1 . . . . 13 ARG HA . 19074 1 131 . 1 1 13 13 ARG HB2 H 1 0.97 0.01 . 2 . . . . 13 ARG HB2 . 19074 1 132 . 1 1 13 13 ARG HB3 H 1 2.35 0.01 . 2 . . . . 13 ARG HB3 . 19074 1 133 . 1 1 13 13 ARG HG2 H 1 1.55 0.01 . 2 . . . . 13 ARG HG2 . 19074 1 134 . 1 1 13 13 ARG HG3 H 1 1.77 0.01 . 2 . . . . 13 ARG HG3 . 19074 1 135 . 1 1 13 13 ARG HD2 H 1 3.14 0.01 . 2 . . . . 13 ARG HD2 . 19074 1 136 . 1 1 13 13 ARG HD3 H 1 3.18 0.01 . 2 . . . . 13 ARG HD3 . 19074 1 137 . 1 1 13 13 ARG HE H 1 6.94 0.01 . 1 . . . . 13 ARG HE . 19074 1 138 . 1 1 13 13 ARG C C 13 173.9 0.1 . 1 . . . . 13 ARG C . 19074 1 139 . 1 1 13 13 ARG CA C 13 54.9 0.1 . 1 . . . . 13 ARG CA . 19074 1 140 . 1 1 13 13 ARG CB C 13 24.6 0.1 . 1 . . . . 13 ARG CB . 19074 1 141 . 1 1 13 13 ARG CG C 13 24.2 0.1 . 1 . . . . 13 ARG CG . 19074 1 142 . 1 1 13 13 ARG CD C 13 41.8 0.1 . 1 . . . . 13 ARG CD . 19074 1 143 . 1 1 13 13 ARG CZ C 13 159.8 0.1 . 1 . . . . 13 ARG CZ . 19074 1 144 . 1 1 13 13 ARG N N 15 119.2 0.1 . 1 . . . . 13 ARG N . 19074 1 145 . 1 1 13 13 ARG NE N 15 82.2 0.1 . 1 . . . . 13 ARG NE . 19074 1 146 . 1 1 14 14 GLN H H 1 7.90 0.01 . 1 . . . . 14 GLN H . 19074 1 147 . 1 1 14 14 GLN HA H 1 5.07 0.01 . 1 . . . . 14 GLN HA . 19074 1 148 . 1 1 14 14 GLN HB2 H 1 2.18 0.01 . 2 . . . . 14 GLN HB2 . 19074 1 149 . 1 1 14 14 GLN HB3 H 1 2.28 0.01 . 2 . . . . 14 GLN HB3 . 19074 1 150 . 1 1 14 14 GLN HG2 H 1 2.48 0.01 . 2 . . . . 14 GLN HG2 . 19074 1 151 . 1 1 14 14 GLN HE21 H 1 6.87 0.01 . 2 . . . . 14 GLN HE21 . 19074 1 152 . 1 1 14 14 GLN HE22 H 1 7.31 0.01 . 2 . . . . 14 GLN HE22 . 19074 1 153 . 1 1 14 14 GLN C C 13 174.7 0.1 . 1 . . . . 14 GLN C . 19074 1 154 . 1 1 14 14 GLN CA C 13 53.4 0.1 . 1 . . . . 14 GLN CA . 19074 1 155 . 1 1 14 14 GLN CB C 13 31.0 0.1 . 1 . . . . 14 GLN CB . 19074 1 156 . 1 1 14 14 GLN CG C 13 33.6 0.1 . 1 . . . . 14 GLN CG . 19074 1 157 . 1 1 14 14 GLN CD C 13 180.8 0.1 . 1 . . . . 14 GLN CD . 19074 1 158 . 1 1 14 14 GLN N N 15 117.0 0.1 . 1 . . . . 14 GLN N . 19074 1 159 . 1 1 14 14 GLN NE2 N 15 112.6 0.1 . 1 . . . . 14 GLN NE2 . 19074 1 160 . 1 1 15 15 PRO HA H 1 5.37 0.01 . 1 . . . . 15 PRO HA . 19074 1 161 . 1 1 15 15 PRO HB2 H 1 1.96 0.01 . 2 . . . . 15 PRO HB2 . 19074 1 162 . 1 1 15 15 PRO HB3 H 1 2.59 0.01 . 2 . . . . 15 PRO HB3 . 19074 1 163 . 1 1 15 15 PRO HG2 H 1 1.85 0.01 . 2 . . . . 15 PRO HG2 . 19074 1 164 . 1 1 15 15 PRO HG3 H 1 2.00 0.01 . 2 . . . . 15 PRO HG3 . 19074 1 165 . 1 1 15 15 PRO HD2 H 1 3.58 0.01 . 2 . . . . 15 PRO HD2 . 19074 1 166 . 1 1 15 15 PRO HD3 H 1 3.70 0.01 . 2 . . . . 15 PRO HD3 . 19074 1 167 . 1 1 15 15 PRO C C 13 177.6 0.1 . 1 . . . . 15 PRO C . 19074 1 168 . 1 1 15 15 PRO CA C 13 61.7 0.1 . 1 . . . . 15 PRO CA . 19074 1 169 . 1 1 15 15 PRO CB C 13 33.3 0.1 . 1 . . . . 15 PRO CB . 19074 1 170 . 1 1 15 15 PRO CG C 13 27.7 0.1 . 1 . . . . 15 PRO CG . 19074 1 171 . 1 1 15 15 PRO CD C 13 51.3 0.1 . 1 . . . . 15 PRO CD . 19074 1 172 . 1 1 16 16 HIS H H 1 9.55 0.01 . 1 . . . . 16 HIS H . 19074 1 173 . 1 1 16 16 HIS HB2 H 1 2.90 0.01 . 2 . . . . 16 HIS HB2 . 19074 1 174 . 1 1 16 16 HIS HB3 H 1 3.21 0.01 . 2 . . . . 16 HIS HB3 . 19074 1 175 . 1 1 16 16 HIS HD2 H 1 7.18 0.01 . 1 . . . . 16 HIS HD2 . 19074 1 176 . 1 1 16 16 HIS HE1 H 1 7.70 0.01 . 1 . . . . 16 HIS HE1 . 19074 1 177 . 1 1 16 16 HIS C C 13 175.6 0.1 . 1 . . . . 16 HIS C . 19074 1 178 . 1 1 16 16 HIS CA C 13 58.9 0.1 . 1 . . . . 16 HIS CA . 19074 1 179 . 1 1 16 16 HIS CB C 13 33.0 0.1 . 1 . . . . 16 HIS CB . 19074 1 180 . 1 1 16 16 HIS CD2 C 13 119.8 0.1 . 1 . . . . 16 HIS CD2 . 19074 1 181 . 1 1 16 16 HIS CE1 C 13 138.5 0.1 . 1 . . . . 16 HIS CE1 . 19074 1 182 . 1 1 16 16 HIS N N 15 122.9 0.1 . 1 . . . . 16 HIS N . 19074 1 183 . 1 1 17 17 ASN H H 1 8.90 0.01 . 1 . . . . 17 ASN H . 19074 1 184 . 1 1 17 17 ASN HA H 1 4.18 0.01 . 1 . . . . 17 ASN HA . 19074 1 185 . 1 1 17 17 ASN HB2 H 1 2.40 0.01 . 2 . . . . 17 ASN HB2 . 19074 1 186 . 1 1 17 17 ASN HB3 H 1 3.07 0.01 . 2 . . . . 17 ASN HB3 . 19074 1 187 . 1 1 17 17 ASN HD21 H 1 6.93 0.01 . 2 . . . . 17 ASN HD21 . 19074 1 188 . 1 1 17 17 ASN HD22 H 1 7.28 0.01 . 2 . . . . 17 ASN HD22 . 19074 1 189 . 1 1 17 17 ASN C C 13 174.0 0.1 . 1 . . . . 17 ASN C . 19074 1 190 . 1 1 17 17 ASN CA C 13 53.7 0.1 . 1 . . . . 17 ASN CA . 19074 1 191 . 1 1 17 17 ASN CB C 13 37.3 0.1 . 1 . . . . 17 ASN CB . 19074 1 192 . 1 1 17 17 ASN CG C 13 177.7 0.1 . 1 . . . . 17 ASN CG . 19074 1 193 . 1 1 17 17 ASN N N 15 114.0 0.1 . 1 . . . . 17 ASN N . 19074 1 194 . 1 1 17 17 ASN ND2 N 15 110.9 0.1 . 1 . . . . 17 ASN ND2 . 19074 1 195 . 1 1 18 18 ASN H H 1 7.07 0.01 . 1 . . . . 18 ASN H . 19074 1 196 . 1 1 18 18 ASN HA H 1 3.98 0.01 . 1 . . . . 18 ASN HA . 19074 1 197 . 1 1 18 18 ASN HB2 H 1 2.67 0.01 . 2 . . . . 18 ASN HB2 . 19074 1 198 . 1 1 18 18 ASN HB3 H 1 3.01 0.01 . 2 . . . . 18 ASN HB3 . 19074 1 199 . 1 1 18 18 ASN HD21 H 1 6.95 0.01 . 2 . . . . 18 ASN HD21 . 19074 1 200 . 1 1 18 18 ASN HD22 H 1 7.53 0.01 . 2 . . . . 18 ASN HD22 . 19074 1 201 . 1 1 18 18 ASN C C 13 173.7 0.1 . 1 . . . . 18 ASN C . 19074 1 202 . 1 1 18 18 ASN CA C 13 55.0 0.1 . 1 . . . . 18 ASN CA . 19074 1 203 . 1 1 18 18 ASN CB C 13 37.3 0.1 . 1 . . . . 18 ASN CB . 19074 1 204 . 1 1 18 18 ASN CG C 13 178.5 0.1 . 1 . . . . 18 ASN CG . 19074 1 205 . 1 1 18 18 ASN N N 15 108.2 0.1 . 1 . . . . 18 ASN N . 19074 1 206 . 1 1 18 18 ASN ND2 N 15 113.3 0.1 . 1 . . . . 18 ASN ND2 . 19074 1 207 . 1 1 19 19 ARG H H 1 7.17 0.01 . 1 . . . . 19 ARG H . 19074 1 208 . 1 1 19 19 ARG HA H 1 4.42 0.01 . 1 . . . . 19 ARG HA . 19074 1 209 . 1 1 19 19 ARG HB2 H 1 1.91 0.01 . 2 . . . . 19 ARG HB2 . 19074 1 210 . 1 1 19 19 ARG HB3 H 1 2.32 0.01 . 2 . . . . 19 ARG HB3 . 19074 1 211 . 1 1 19 19 ARG HG2 H 1 1.74 0.01 . 2 . . . . 19 ARG HG2 . 19074 1 212 . 1 1 19 19 ARG HG3 H 1 1.93 0.01 . 2 . . . . 19 ARG HG3 . 19074 1 213 . 1 1 19 19 ARG HD2 H 1 2.88 0.01 . 2 . . . . 19 ARG HD2 . 19074 1 214 . 1 1 19 19 ARG HD3 H 1 3.30 0.01 . 2 . . . . 19 ARG HD3 . 19074 1 215 . 1 1 19 19 ARG HE H 1 7.34 0.01 . 1 . . . . 19 ARG HE . 19074 1 216 . 1 1 19 19 ARG C C 13 176.2 0.1 . 1 . . . . 19 ARG C . 19074 1 217 . 1 1 19 19 ARG CA C 13 55.6 0.1 . 1 . . . . 19 ARG CA . 19074 1 218 . 1 1 19 19 ARG CB C 13 33.8 0.1 . 1 . . . . 19 ARG CB . 19074 1 219 . 1 1 19 19 ARG CG C 13 26.2 0.1 . 1 . . . . 19 ARG CG . 19074 1 220 . 1 1 19 19 ARG CD C 13 44.7 0.1 . 1 . . . . 19 ARG CD . 19074 1 221 . 1 1 19 19 ARG CZ C 13 159.6 0.1 . 1 . . . . 19 ARG CZ . 19074 1 222 . 1 1 19 19 ARG N N 15 118.8 0.1 . 1 . . . . 19 ARG N . 19074 1 223 . 1 1 19 19 ARG NE N 15 81.9 0.1 . 1 . . . . 19 ARG NE . 19074 1 224 . 1 1 20 20 PHE H H 1 8.82 0.01 . 1 . . . . 20 PHE H . 19074 1 225 . 1 1 20 20 PHE HB2 H 1 2.96 0.01 . 2 . . . . 20 PHE HB2 . 19074 1 226 . 1 1 20 20 PHE HB3 H 1 3.60 0.01 . 2 . . . . 20 PHE HB3 . 19074 1 227 . 1 1 20 20 PHE HD1 H 1 7.42 0.01 . 3 . . . . 20 PHE HD1 . 19074 1 228 . 1 1 20 20 PHE HD2 H 1 7.42 0.01 . 3 . . . . 20 PHE HD2 . 19074 1 229 . 1 1 20 20 PHE HE1 H 1 7.09 0.01 . 3 . . . . 20 PHE HE1 . 19074 1 230 . 1 1 20 20 PHE HE2 H 1 7.09 0.01 . 3 . . . . 20 PHE HE2 . 19074 1 231 . 1 1 20 20 PHE HZ H 1 6.83 0.01 . 1 . . . . 20 PHE HZ . 19074 1 232 . 1 1 20 20 PHE C C 13 177.4 0.1 . 1 . . . . 20 PHE C . 19074 1 233 . 1 1 20 20 PHE CA C 13 58.1 0.1 . 1 . . . . 20 PHE CA . 19074 1 234 . 1 1 20 20 PHE CB C 13 38.7 0.1 . 1 . . . . 20 PHE CB . 19074 1 235 . 1 1 20 20 PHE CD1 C 13 132.6 0.1 . 3 . . . . 20 PHE CD1 . 19074 1 236 . 1 1 20 20 PHE CD2 C 13 132.6 0.1 . 3 . . . . 20 PHE CD2 . 19074 1 237 . 1 1 20 20 PHE CE1 C 13 130.7 0.1 . 3 . . . . 20 PHE CE1 . 19074 1 238 . 1 1 20 20 PHE CE2 C 13 130.7 0.1 . 3 . . . . 20 PHE CE2 . 19074 1 239 . 1 1 20 20 PHE CZ C 13 128.6 0.1 . 1 . . . . 20 PHE CZ . 19074 1 240 . 1 1 20 20 PHE N N 15 120.2 0.1 . 1 . . . . 20 PHE N . 19074 1 241 . 1 1 21 21 MET H H 1 8.12 0.01 . 1 . . . . 21 MET H . 19074 1 242 . 1 1 21 21 MET HA H 1 5.10 0.01 . 1 . . . . 21 MET HA . 19074 1 243 . 1 1 21 21 MET HB2 H 1 1.76 0.01 . 2 . . . . 21 MET HB2 . 19074 1 244 . 1 1 21 21 MET HB3 H 1 1.90 0.01 . 2 . . . . 21 MET HB3 . 19074 1 245 . 1 1 21 21 MET HG2 H 1 2.50 0.01 . 2 . . . . 21 MET HG2 . 19074 1 246 . 1 1 21 21 MET HG3 H 1 2.58 0.01 . 2 . . . . 21 MET HG3 . 19074 1 247 . 1 1 21 21 MET HE1 H 1 0.85 0.01 . 1 . . . . 21 MET HE . 19074 1 248 . 1 1 21 21 MET HE2 H 1 0.85 0.01 . 1 . . . . 21 MET HE . 19074 1 249 . 1 1 21 21 MET HE3 H 1 0.85 0.01 . 1 . . . . 21 MET HE . 19074 1 250 . 1 1 21 21 MET C C 13 171.7 0.1 . 1 . . . . 21 MET C . 19074 1 251 . 1 1 21 21 MET CA C 13 54.1 0.1 . 1 . . . . 21 MET CA . 19074 1 252 . 1 1 21 21 MET CB C 13 38.5 0.1 . 1 . . . . 21 MET CB . 19074 1 253 . 1 1 21 21 MET CG C 13 32.1 0.1 . 1 . . . . 21 MET CG . 19074 1 254 . 1 1 21 21 MET CE C 13 16.5 0.1 . 1 . . . . 21 MET CE . 19074 1 255 . 1 1 21 21 MET N N 15 127.1 0.1 . 1 . . . . 21 MET N . 19074 1 256 . 1 1 22 22 ILE H H 1 9.14 0.01 . 1 . . . . 22 ILE H . 19074 1 257 . 1 1 22 22 ILE HA H 1 4.35 0.01 . 1 . . . . 22 ILE HA . 19074 1 258 . 1 1 22 22 ILE HB H 1 1.06 0.01 . 1 . . . . 22 ILE HB . 19074 1 259 . 1 1 22 22 ILE HG12 H 1 0.69 0.01 . 2 . . . . 22 ILE HG12 . 19074 1 260 . 1 1 22 22 ILE HG13 H 1 1.43 0.01 . 2 . . . . 22 ILE HG13 . 19074 1 261 . 1 1 22 22 ILE HG21 H 1 0.15 0.01 . 1 . . . . 22 ILE HG2 . 19074 1 262 . 1 1 22 22 ILE HG22 H 1 0.15 0.01 . 1 . . . . 22 ILE HG2 . 19074 1 263 . 1 1 22 22 ILE HG23 H 1 0.15 0.01 . 1 . . . . 22 ILE HG2 . 19074 1 264 . 1 1 22 22 ILE HD11 H 1 0.45 0.01 . 1 . . . . 22 ILE HD1 . 19074 1 265 . 1 1 22 22 ILE HD12 H 1 0.45 0.01 . 1 . . . . 22 ILE HD1 . 19074 1 266 . 1 1 22 22 ILE HD13 H 1 0.45 0.01 . 1 . . . . 22 ILE HD1 . 19074 1 267 . 1 1 22 22 ILE C C 13 171.0 0.1 . 1 . . . . 22 ILE C . 19074 1 268 . 1 1 22 22 ILE CA C 13 59.1 0.1 . 1 . . . . 22 ILE CA . 19074 1 269 . 1 1 22 22 ILE CB C 13 43.8 0.1 . 1 . . . . 22 ILE CB . 19074 1 270 . 1 1 22 22 ILE CG1 C 13 27.6 0.1 . 1 . . . . 22 ILE CG1 . 19074 1 271 . 1 1 22 22 ILE CG2 C 13 13.1 0.1 . 1 . . . . 22 ILE CG2 . 19074 1 272 . 1 1 22 22 ILE CD1 C 13 16.1 0.1 . 1 . . . . 22 ILE CD1 . 19074 1 273 . 1 1 22 22 ILE N N 15 119.4 0.1 . 1 . . . . 22 ILE N . 19074 1 274 . 1 1 23 23 CYS H H 1 7.58 0.01 . 1 . . . . 23 CYS H . 19074 1 275 . 1 1 23 23 CYS HA H 1 4.21 0.01 . 1 . . . . 23 CYS HA . 19074 1 276 . 1 1 23 23 CYS HB2 H 1 -0.47 0.01 . 2 . . . . 23 CYS HB2 . 19074 1 277 . 1 1 23 23 CYS HB3 H 1 1.52 0.01 . 2 . . . . 23 CYS HB3 . 19074 1 278 . 1 1 23 23 CYS C C 13 174.5 0.1 . 1 . . . . 23 CYS C . 19074 1 279 . 1 1 23 23 CYS CA C 13 57.1 0.1 . 1 . . . . 23 CYS CA . 19074 1 280 . 1 1 23 23 CYS CB C 13 26.9 0.1 . 1 . . . . 23 CYS CB . 19074 1 281 . 1 1 23 23 CYS N N 15 129.0 0.1 . 1 . . . . 23 CYS N . 19074 1 282 . 1 1 24 24 CYS H H 1 8.93 0.01 . 1 . . . . 24 CYS H . 19074 1 283 . 1 1 24 24 CYS HB2 H 1 2.85 0.01 . 2 . . . . 24 CYS HB2 . 19074 1 284 . 1 1 24 24 CYS HB3 H 1 3.76 0.01 . 2 . . . . 24 CYS HB3 . 19074 1 285 . 1 1 24 24 CYS C C 13 176.8 0.1 . 1 . . . . 24 CYS C . 19074 1 286 . 1 1 24 24 CYS CA C 13 59.3 0.1 . 1 . . . . 24 CYS CA . 19074 1 287 . 1 1 24 24 CYS CB C 13 32.9 0.1 . 1 . . . . 24 CYS CB . 19074 1 288 . 1 1 24 24 CYS N N 15 131.0 0.1 . 1 . . . . 24 CYS N . 19074 1 289 . 1 1 25 25 ASP H H 1 9.61 0.01 . 1 . . . . 25 ASP H . 19074 1 290 . 1 1 25 25 ASP HA H 1 4.45 0.01 . 1 . . . . 25 ASP HA . 19074 1 291 . 1 1 25 25 ASP HB2 H 1 2.28 0.01 . 2 . . . . 25 ASP HB2 . 19074 1 292 . 1 1 25 25 ASP HB3 H 1 2.76 0.01 . 2 . . . . 25 ASP HB3 . 19074 1 293 . 1 1 25 25 ASP C C 13 175.6 0.1 . 1 . . . . 25 ASP C . 19074 1 294 . 1 1 25 25 ASP CA C 13 57.7 0.1 . 1 . . . . 25 ASP CA . 19074 1 295 . 1 1 25 25 ASP CB C 13 42.4 0.1 . 1 . . . . 25 ASP CB . 19074 1 296 . 1 1 25 25 ASP N N 15 129.1 0.1 . 1 . . . . 25 ASP N . 19074 1 297 . 1 1 26 26 ARG H H 1 9.62 0.01 . 1 . . . . 26 ARG H . 19074 1 298 . 1 1 26 26 ARG HA H 1 4.62 0.01 . 1 . . . . 26 ARG HA . 19074 1 299 . 1 1 26 26 ARG HB2 H 1 2.04 0.01 . 2 . . . . 26 ARG HB2 . 19074 1 300 . 1 1 26 26 ARG HB3 H 1 2.18 0.01 . 2 . . . . 26 ARG HB3 . 19074 1 301 . 1 1 26 26 ARG HD2 H 1 3.23 0.01 . 2 . . . . 26 ARG HD2 . 19074 1 302 . 1 1 26 26 ARG HD3 H 1 3.14 0.01 . 2 . . . . 26 ARG HD3 . 19074 1 303 . 1 1 26 26 ARG HE H 1 7.29 0.01 . 1 . . . . 26 ARG HE . 19074 1 304 . 1 1 26 26 ARG C C 13 176.8 0.1 . 1 . . . . 26 ARG C . 19074 1 305 . 1 1 26 26 ARG CA C 13 57.8 0.1 . 1 . . . . 26 ARG CA . 19074 1 306 . 1 1 26 26 ARG CB C 13 30.9 0.1 . 1 . . . . 26 ARG CB . 19074 1 307 . 1 1 26 26 ARG CG C 13 27.5 0.1 . 1 . . . . 26 ARG CG . 19074 1 308 . 1 1 26 26 ARG CD C 13 42.8 0.1 . 1 . . . . 26 ARG CD . 19074 1 309 . 1 1 26 26 ARG CZ C 13 159.4 0.1 . 1 . . . . 26 ARG CZ . 19074 1 310 . 1 1 26 26 ARG N N 15 122.7 0.1 . 1 . . . . 26 ARG N . 19074 1 311 . 1 1 26 26 ARG NE N 15 84.9 0.1 . 1 . . . . 26 ARG NE . 19074 1 312 . 1 1 27 27 CYS H H 1 8.67 0.01 . 1 . . . . 27 CYS H . 19074 1 313 . 1 1 27 27 CYS HB2 H 1 2.69 0.01 . 2 . . . . 27 CYS HB2 . 19074 1 314 . 1 1 27 27 CYS HB3 H 1 3.24 0.01 . 2 . . . . 27 CYS HB3 . 19074 1 315 . 1 1 27 27 CYS C C 13 176.2 0.1 . 1 . . . . 27 CYS C . 19074 1 316 . 1 1 27 27 CYS CA C 13 59.6 0.1 . 1 . . . . 27 CYS CA . 19074 1 317 . 1 1 27 27 CYS CB C 13 32.1 0.1 . 1 . . . . 27 CYS CB . 19074 1 318 . 1 1 27 27 CYS N N 15 119.3 0.1 . 1 . . . . 27 CYS N . 19074 1 319 . 1 1 28 28 GLU H H 1 7.87 0.01 . 1 . . . . 28 GLU H . 19074 1 320 . 1 1 28 28 GLU HA H 1 4.13 0.01 . 1 . . . . 28 GLU HA . 19074 1 321 . 1 1 28 28 GLU HB2 H 1 2.20 0.01 . 2 . . . . 28 GLU HB2 . 19074 1 322 . 1 1 28 28 GLU HB3 H 1 2.20 0.01 . 2 . . . . 28 GLU HB3 . 19074 1 323 . 1 1 28 28 GLU HG2 H 1 2.04 0.01 . 2 . . . . 28 GLU HG2 . 19074 1 324 . 1 1 28 28 GLU HG3 H 1 2.12 0.01 . 2 . . . . 28 GLU HG3 . 19074 1 325 . 1 1 28 28 GLU C C 13 174.6 0.1 . 1 . . . . 28 GLU C . 19074 1 326 . 1 1 28 28 GLU CA C 13 58.4 0.1 . 1 . . . . 28 GLU CA . 19074 1 327 . 1 1 28 28 GLU CB C 13 26.9 0.1 . 1 . . . . 28 GLU CB . 19074 1 328 . 1 1 28 28 GLU CG C 13 36.8 0.1 . 1 . . . . 28 GLU CG . 19074 1 329 . 1 1 28 28 GLU N N 15 117.6 0.1 . 1 . . . . 28 GLU N . 19074 1 330 . 1 1 29 29 GLU H H 1 8.22 0.01 . 1 . . . . 29 GLU H . 19074 1 331 . 1 1 29 29 GLU HB2 H 1 2.12 0.01 . 2 . . . . 29 GLU HB2 . 19074 1 332 . 1 1 29 29 GLU HB3 H 1 2.27 0.01 . 2 . . . . 29 GLU HB3 . 19074 1 333 . 1 1 29 29 GLU HG2 H 1 2.04 0.01 . 2 . . . . 29 GLU HG2 . 19074 1 334 . 1 1 29 29 GLU HG3 H 1 2.04 0.01 . 2 . . . . 29 GLU HG3 . 19074 1 335 . 1 1 29 29 GLU C C 13 174.3 0.1 . 1 . . . . 29 GLU C . 19074 1 336 . 1 1 29 29 GLU CA C 13 55.2 0.1 . 1 . . . . 29 GLU CA . 19074 1 337 . 1 1 29 29 GLU CB C 13 31.2 0.1 . 1 . . . . 29 GLU CB . 19074 1 338 . 1 1 29 29 GLU CG C 13 36.7 0.1 . 1 . . . . 29 GLU CG . 19074 1 339 . 1 1 29 29 GLU N N 15 121.2 0.1 . 1 . . . . 29 GLU N . 19074 1 340 . 1 1 30 30 TRP H H 1 9.24 0.01 . 1 . . . . 30 TRP H . 19074 1 341 . 1 1 30 30 TRP HB2 H 1 2.46 0.01 . 2 . . . . 30 TRP HB2 . 19074 1 342 . 1 1 30 30 TRP HB3 H 1 2.46 0.01 . 2 . . . . 30 TRP HB3 . 19074 1 343 . 1 1 30 30 TRP HD1 H 1 7.39 0.01 . 1 . . . . 30 TRP HD1 . 19074 1 344 . 1 1 30 30 TRP HE1 H 1 10.36 0.01 . 1 . . . . 30 TRP HE1 . 19074 1 345 . 1 1 30 30 TRP HZ2 H 1 7.42 0.01 . 1 . . . . 30 TRP HZ2 . 19074 1 346 . 1 1 30 30 TRP HZ3 H 1 6.49 0.01 . 1 . . . . 30 TRP HZ3 . 19074 1 347 . 1 1 30 30 TRP HH2 H 1 6.76 0.01 . 1 . . . . 30 TRP HH2 . 19074 1 348 . 1 1 30 30 TRP C C 13 175.4 0.1 . 1 . . . . 30 TRP C . 19074 1 349 . 1 1 30 30 TRP CA C 13 56.6 0.1 . 1 . . . . 30 TRP CA . 19074 1 350 . 1 1 30 30 TRP CB C 13 31.3 0.1 . 1 . . . . 30 TRP CB . 19074 1 351 . 1 1 30 30 TRP CD1 C 13 127.8 0.1 . 1 . . . . 30 TRP CD1 . 19074 1 352 . 1 1 30 30 TRP CZ2 C 13 115.6 0.1 . 1 . . . . 30 TRP CZ2 . 19074 1 353 . 1 1 30 30 TRP CZ3 C 13 122.6 0.1 . 1 . . . . 30 TRP CZ3 . 19074 1 354 . 1 1 30 30 TRP CH2 C 13 124.5 0.1 . 1 . . . . 30 TRP CH2 . 19074 1 355 . 1 1 30 30 TRP N N 15 122.7 0.1 . 1 . . . . 30 TRP N . 19074 1 356 . 1 1 30 30 TRP NE1 N 15 132.4 0.1 . 1 . . . . 30 TRP NE1 . 19074 1 357 . 1 1 31 31 PHE H H 1 9.15 0.01 . 1 . . . . 31 PHE H . 19074 1 358 . 1 1 31 31 PHE HA H 1 4.45 0.01 . 1 . . . . 31 PHE HA . 19074 1 359 . 1 1 31 31 PHE HB2 H 1 2.56 0.01 . 2 . . . . 31 PHE HB2 . 19074 1 360 . 1 1 31 31 PHE HB3 H 1 3.25 0.01 . 2 . . . . 31 PHE HB3 . 19074 1 361 . 1 1 31 31 PHE HD1 H 1 7.51 0.01 . 3 . . . . 31 PHE HD1 . 19074 1 362 . 1 1 31 31 PHE HD2 H 1 7.51 0.01 . 3 . . . . 31 PHE HD2 . 19074 1 363 . 1 1 31 31 PHE HE1 H 1 7.22 0.01 . 3 . . . . 31 PHE HE1 . 19074 1 364 . 1 1 31 31 PHE HE2 H 1 7.22 0.01 . 3 . . . . 31 PHE HE2 . 19074 1 365 . 1 1 31 31 PHE HZ H 1 7.62 0.01 . 1 . . . . 31 PHE HZ . 19074 1 366 . 1 1 31 31 PHE C C 13 177.5 0.1 . 1 . . . . 31 PHE C . 19074 1 367 . 1 1 31 31 PHE CA C 13 56.6 0.1 . 1 . . . . 31 PHE CA . 19074 1 368 . 1 1 31 31 PHE CB C 13 42.3 0.1 . 1 . . . . 31 PHE CB . 19074 1 369 . 1 1 31 31 PHE CD1 C 13 132.4 0.1 . 3 . . . . 31 PHE CD1 . 19074 1 370 . 1 1 31 31 PHE CD2 C 13 132.4 0.1 . 3 . . . . 31 PHE CD2 . 19074 1 371 . 1 1 31 31 PHE CE1 C 13 131.2 0.1 . 3 . . . . 31 PHE CE1 . 19074 1 372 . 1 1 31 31 PHE CE2 C 13 131.2 0.1 . 3 . . . . 31 PHE CE2 . 19074 1 373 . 1 1 31 31 PHE CZ C 13 131.3 0.1 . 1 . . . . 31 PHE CZ . 19074 1 374 . 1 1 31 31 PHE N N 15 117.1 0.1 . 1 . . . . 31 PHE N . 19074 1 375 . 1 1 32 32 HIS H H 1 9.95 0.01 . 1 . . . . 32 HIS H . 19074 1 376 . 1 1 32 32 HIS HA H 1 5.09 0.01 . 1 . . . . 32 HIS HA . 19074 1 377 . 1 1 32 32 HIS HB2 H 1 3.56 0.01 . 2 . . . . 32 HIS HB2 . 19074 1 378 . 1 1 32 32 HIS HE1 H 1 7.51 0.01 . 1 . . . . 32 HIS HE1 . 19074 1 379 . 1 1 32 32 HIS HE2 H 1 11.60 0.01 . 1 . . . . 32 HIS HE2 . 19074 1 380 . 1 1 32 32 HIS C C 13 177.7 0.1 . 1 . . . . 32 HIS C . 19074 1 381 . 1 1 32 32 HIS CA C 13 57.6 0.1 . 1 . . . . 32 HIS CA . 19074 1 382 . 1 1 32 32 HIS CB C 13 29.6 0.1 . 1 . . . . 32 HIS CB . 19074 1 383 . 1 1 32 32 HIS CE1 C 13 138.8 0.1 . 1 . . . . 32 HIS CE1 . 19074 1 384 . 1 1 32 32 HIS N N 15 124.1 0.1 . 1 . . . . 32 HIS N . 19074 1 385 . 1 1 33 33 GLY H H 1 8.39 0.01 . 1 . . . . 33 GLY H . 19074 1 386 . 1 1 33 33 GLY HA2 H 1 3.68 0.01 . 2 . . . . 33 GLY HA2 . 19074 1 387 . 1 1 33 33 GLY HA3 H 1 4.37 0.01 . 2 . . . . 33 GLY HA3 . 19074 1 388 . 1 1 33 33 GLY C C 13 176.1 0.1 . 1 . . . . 33 GLY C . 19074 1 389 . 1 1 33 33 GLY CA C 13 48.8 0.1 . 1 . . . . 33 GLY CA . 19074 1 390 . 1 1 33 33 GLY N N 15 113.7 0.1 . 1 . . . . 33 GLY N . 19074 1 391 . 1 1 34 34 ASP H H 1 8.92 0.01 . 1 . . . . 34 ASP H . 19074 1 392 . 1 1 34 34 ASP HA H 1 4.42 0.01 . 1 . . . . 34 ASP HA . 19074 1 393 . 1 1 34 34 ASP HB2 H 1 2.70 0.01 . 2 . . . . 34 ASP HB2 . 19074 1 394 . 1 1 34 34 ASP HB3 H 1 2.90 0.01 . 2 . . . . 34 ASP HB3 . 19074 1 395 . 1 1 34 34 ASP C C 13 178.7 0.1 . 1 . . . . 34 ASP C . 19074 1 396 . 1 1 34 34 ASP CA C 13 56.5 0.1 . 1 . . . . 34 ASP CA . 19074 1 397 . 1 1 34 34 ASP CB C 13 39.8 0.1 . 1 . . . . 34 ASP CB . 19074 1 398 . 1 1 34 34 ASP N N 15 117.9 0.1 . 1 . . . . 34 ASP N . 19074 1 399 . 1 1 35 35 CYS H H 1 7.58 0.01 . 1 . . . . 35 CYS H . 19074 1 400 . 1 1 35 35 CYS HA H 1 4.25 0.01 . 1 . . . . 35 CYS HA . 19074 1 401 . 1 1 35 35 CYS HB2 H 1 3.18 0.01 . 2 . . . . 35 CYS HB2 . 19074 1 402 . 1 1 35 35 CYS HB3 H 1 3.41 0.01 . 2 . . . . 35 CYS HB3 . 19074 1 403 . 1 1 35 35 CYS C C 13 177.2 0.1 . 1 . . . . 35 CYS C . 19074 1 404 . 1 1 35 35 CYS CA C 13 62.7 0.1 . 1 . . . . 35 CYS CA . 19074 1 405 . 1 1 35 35 CYS CB C 13 30.6 0.1 . 1 . . . . 35 CYS CB . 19074 1 406 . 1 1 35 35 CYS N N 15 119.2 0.1 . 1 . . . . 35 CYS N . 19074 1 407 . 1 1 36 36 VAL H H 1 7.28 0.01 . 1 . . . . 36 VAL H . 19074 1 408 . 1 1 36 36 VAL HB H 1 2.53 0.01 . 1 . . . . 36 VAL HB . 19074 1 409 . 1 1 36 36 VAL HG11 H 1 0.88 0.01 . 2 . . . . 36 VAL HG1 . 19074 1 410 . 1 1 36 36 VAL HG12 H 1 0.88 0.01 . 2 . . . . 36 VAL HG1 . 19074 1 411 . 1 1 36 36 VAL HG13 H 1 0.88 0.01 . 2 . . . . 36 VAL HG1 . 19074 1 412 . 1 1 36 36 VAL HG21 H 1 0.90 0.01 . 2 . . . . 36 VAL HG2 . 19074 1 413 . 1 1 36 36 VAL HG22 H 1 0.90 0.01 . 2 . . . . 36 VAL HG2 . 19074 1 414 . 1 1 36 36 VAL HG23 H 1 0.90 0.01 . 2 . . . . 36 VAL HG2 . 19074 1 415 . 1 1 36 36 VAL C C 13 176.0 0.1 . 1 . . . . 36 VAL C . 19074 1 416 . 1 1 36 36 VAL CA C 13 60.5 0.1 . 1 . . . . 36 VAL CA . 19074 1 417 . 1 1 36 36 VAL CB C 13 32.3 0.1 . 1 . . . . 36 VAL CB . 19074 1 418 . 1 1 36 36 VAL CG1 C 13 17.6 0.1 . 1 . . . . 36 VAL CG1 . 19074 1 419 . 1 1 36 36 VAL CG2 C 13 22.1 0.1 . 1 . . . . 36 VAL CG2 . 19074 1 420 . 1 1 36 36 VAL N N 15 106.0 0.1 . 1 . . . . 36 VAL N . 19074 1 421 . 1 1 37 37 GLY H H 1 7.74 0.01 . 1 . . . . 37 GLY H . 19074 1 422 . 1 1 37 37 GLY HA2 H 1 3.93 0.01 . 2 . . . . 37 GLY HA2 . 19074 1 423 . 1 1 37 37 GLY HA3 H 1 4.07 0.01 . 2 . . . . 37 GLY HA3 . 19074 1 424 . 1 1 37 37 GLY C C 13 174.4 0.1 . 1 . . . . 37 GLY C . 19074 1 425 . 1 1 37 37 GLY CA C 13 47.0 0.1 . 1 . . . . 37 GLY CA . 19074 1 426 . 1 1 37 37 GLY N N 15 111.3 0.1 . 1 . . . . 37 GLY N . 19074 1 427 . 1 1 38 38 ILE H H 1 8.46 0.01 . 1 . . . . 38 ILE H . 19074 1 428 . 1 1 38 38 ILE HA H 1 4.15 0.01 . 1 . . . . 38 ILE HA . 19074 1 429 . 1 1 38 38 ILE HB H 1 1.73 0.01 . 1 . . . . 38 ILE HB . 19074 1 430 . 1 1 38 38 ILE HG12 H 1 1.25 0.01 . 2 . . . . 38 ILE HG12 . 19074 1 431 . 1 1 38 38 ILE HG13 H 1 1.25 0.01 . 2 . . . . 38 ILE HG13 . 19074 1 432 . 1 1 38 38 ILE HG21 H 1 0.82 0.01 . 1 . . . . 38 ILE HG2 . 19074 1 433 . 1 1 38 38 ILE HG22 H 1 0.82 0.01 . 1 . . . . 38 ILE HG2 . 19074 1 434 . 1 1 38 38 ILE HG23 H 1 0.82 0.01 . 1 . . . . 38 ILE HG2 . 19074 1 435 . 1 1 38 38 ILE HD11 H 1 0.77 0.01 . 1 . . . . 38 ILE HD1 . 19074 1 436 . 1 1 38 38 ILE HD12 H 1 0.77 0.01 . 1 . . . . 38 ILE HD1 . 19074 1 437 . 1 1 38 38 ILE HD13 H 1 0.77 0.01 . 1 . . . . 38 ILE HD1 . 19074 1 438 . 1 1 38 38 ILE C C 13 174.4 0.1 . 1 . . . . 38 ILE C . 19074 1 439 . 1 1 38 38 ILE CA C 13 58.5 0.1 . 1 . . . . 38 ILE CA . 19074 1 440 . 1 1 38 38 ILE CB C 13 39.1 0.1 . 1 . . . . 38 ILE CB . 19074 1 441 . 1 1 38 38 ILE CG1 C 13 26.9 0.1 . 1 . . . . 38 ILE CG1 . 19074 1 442 . 1 1 38 38 ILE CG2 C 13 16.4 0.1 . 1 . . . . 38 ILE CG2 . 19074 1 443 . 1 1 38 38 ILE CD1 C 13 11.6 0.1 . 1 . . . . 38 ILE CD1 . 19074 1 444 . 1 1 38 38 ILE N N 15 121.1 0.1 . 1 . . . . 38 ILE N . 19074 1 445 . 1 1 39 39 SER H H 1 8.24 0.01 . 1 . . . . 39 SER H . 19074 1 446 . 1 1 39 39 SER HA H 1 4.42 0.01 . 1 . . . . 39 SER HA . 19074 1 447 . 1 1 39 39 SER HB2 H 1 3.99 0.01 . 2 . . . . 39 SER HB2 . 19074 1 448 . 1 1 39 39 SER HB3 H 1 4.27 0.01 . 2 . . . . 39 SER HB3 . 19074 1 449 . 1 1 39 39 SER C C 13 174.3 0.1 . 1 . . . . 39 SER C . 19074 1 450 . 1 1 39 39 SER CA C 13 56.7 0.1 . 1 . . . . 39 SER CA . 19074 1 451 . 1 1 39 39 SER CB C 13 65.1 0.1 . 1 . . . . 39 SER CB . 19074 1 452 . 1 1 39 39 SER N N 15 122.8 0.1 . 1 . . . . 39 SER N . 19074 1 453 . 1 1 40 40 GLU H H 1 8.79 0.01 . 1 . . . . 40 GLU H . 19074 1 454 . 1 1 40 40 GLU HA H 1 2.17 0.01 . 1 . . . . 40 GLU HA . 19074 1 455 . 1 1 40 40 GLU HB2 H 1 1.55 0.01 . 2 . . . . 40 GLU HB2 . 19074 1 456 . 1 1 40 40 GLU HB3 H 1 1.63 0.01 . 2 . . . . 40 GLU HB3 . 19074 1 457 . 1 1 40 40 GLU HG2 H 1 1.87 0.01 . 2 . . . . 40 GLU HG2 . 19074 1 458 . 1 1 40 40 GLU HG3 H 1 1.87 0.01 . 2 . . . . 40 GLU HG3 . 19074 1 459 . 1 1 40 40 GLU C C 13 178.2 0.1 . 1 . . . . 40 GLU C . 19074 1 460 . 1 1 40 40 GLU CA C 13 59.3 0.1 . 1 . . . . 40 GLU CA . 19074 1 461 . 1 1 40 40 GLU CB C 13 28.6 0.1 . 1 . . . . 40 GLU CB . 19074 1 462 . 1 1 40 40 GLU CG C 13 36.4 0.1 . 1 . . . . 40 GLU CG . 19074 1 463 . 1 1 40 40 GLU N N 15 122.7 0.1 . 1 . . . . 40 GLU N . 19074 1 464 . 1 1 41 41 ALA H H 1 8.15 0.01 . 1 . . . . 41 ALA H . 19074 1 465 . 1 1 41 41 ALA HA H 1 3.89 0.01 . 1 . . . . 41 ALA HA . 19074 1 466 . 1 1 41 41 ALA HB1 H 1 1.31 0.01 . 1 . . . . 41 ALA HB . 19074 1 467 . 1 1 41 41 ALA HB2 H 1 1.31 0.01 . 1 . . . . 41 ALA HB . 19074 1 468 . 1 1 41 41 ALA HB3 H 1 1.31 0.01 . 1 . . . . 41 ALA HB . 19074 1 469 . 1 1 41 41 ALA C C 13 180.6 0.1 . 1 . . . . 41 ALA C . 19074 1 470 . 1 1 41 41 ALA CA C 13 55.2 0.1 . 1 . . . . 41 ALA CA . 19074 1 471 . 1 1 41 41 ALA CB C 13 18.1 0.1 . 1 . . . . 41 ALA CB . 19074 1 472 . 1 1 41 41 ALA N N 15 119.6 0.1 . 1 . . . . 41 ALA N . 19074 1 473 . 1 1 42 42 ARG H H 1 7.86 0.01 . 1 . . . . 42 ARG H . 19074 1 474 . 1 1 42 42 ARG HA H 1 4.07 0.01 . 1 . . . . 42 ARG HA . 19074 1 475 . 1 1 42 42 ARG HB2 H 1 1.85 0.01 . 2 . . . . 42 ARG HB2 . 19074 1 476 . 1 1 42 42 ARG HB3 H 1 2.02 0.01 . 2 . . . . 42 ARG HB3 . 19074 1 477 . 1 1 42 42 ARG HG2 H 1 1.59 0.01 . 2 . . . . 42 ARG HG2 . 19074 1 478 . 1 1 42 42 ARG HG3 H 1 1.71 0.01 . 2 . . . . 42 ARG HG3 . 19074 1 479 . 1 1 42 42 ARG HD2 H 1 3.23 0.01 . 2 . . . . 42 ARG HD2 . 19074 1 480 . 1 1 42 42 ARG HD3 H 1 3.32 0.01 . 2 . . . . 42 ARG HD3 . 19074 1 481 . 1 1 42 42 ARG C C 13 178.9 0.1 . 1 . . . . 42 ARG C . 19074 1 482 . 1 1 42 42 ARG CA C 13 58.5 0.1 . 1 . . . . 42 ARG CA . 19074 1 483 . 1 1 42 42 ARG CB C 13 29.2 0.1 . 1 . . . . 42 ARG CB . 19074 1 484 . 1 1 42 42 ARG CG C 13 27.5 0.1 . 1 . . . . 42 ARG CG . 19074 1 485 . 1 1 42 42 ARG CD C 13 43.2 0.1 . 1 . . . . 42 ARG CD . 19074 1 486 . 1 1 42 42 ARG N N 15 120.3 0.1 . 1 . . . . 42 ARG N . 19074 1 487 . 1 1 43 43 GLY H H 1 8.85 0.01 . 1 . . . . 43 GLY H . 19074 1 488 . 1 1 43 43 GLY HA2 H 1 3.58 0.01 . 2 . . . . 43 GLY HA2 . 19074 1 489 . 1 1 43 43 GLY HA3 H 1 3.69 0.01 . 2 . . . . 43 GLY HA3 . 19074 1 490 . 1 1 43 43 GLY C C 13 174.6 0.1 . 1 . . . . 43 GLY C . 19074 1 491 . 1 1 43 43 GLY CA C 13 47.8 0.1 . 1 . . . . 43 GLY CA . 19074 1 492 . 1 1 43 43 GLY N N 15 107.8 0.1 . 1 . . . . 43 GLY N . 19074 1 493 . 1 1 44 44 ARG H H 1 8.41 0.01 . 1 . . . . 44 ARG H . 19074 1 494 . 1 1 44 44 ARG HA H 1 4.14 0.01 . 1 . . . . 44 ARG HA . 19074 1 495 . 1 1 44 44 ARG HB2 H 1 1.84 0.01 . 2 . . . . 44 ARG HB2 . 19074 1 496 . 1 1 44 44 ARG HB3 H 1 1.87 0.01 . 2 . . . . 44 ARG HB3 . 19074 1 497 . 1 1 44 44 ARG HG2 H 1 1.64 0.01 . 2 . . . . 44 ARG HG2 . 19074 1 498 . 1 1 44 44 ARG HG3 H 1 1.64 0.01 . 2 . . . . 44 ARG HG3 . 19074 1 499 . 1 1 44 44 ARG HD2 H 1 3.15 0.01 . 2 . . . . 44 ARG HD2 . 19074 1 500 . 1 1 44 44 ARG HD3 H 1 3.19 0.01 . 2 . . . . 44 ARG HD3 . 19074 1 501 . 1 1 44 44 ARG C C 13 179.2 0.1 . 1 . . . . 44 ARG C . 19074 1 502 . 1 1 44 44 ARG CA C 13 59.4 0.1 . 1 . . . . 44 ARG CA . 19074 1 503 . 1 1 44 44 ARG CB C 13 30.0 0.1 . 1 . . . . 44 ARG CB . 19074 1 504 . 1 1 44 44 ARG CG C 13 27.6 0.1 . 1 . . . . 44 ARG CG . 19074 1 505 . 1 1 44 44 ARG CD C 13 43.5 0.1 . 1 . . . . 44 ARG CD . 19074 1 506 . 1 1 44 44 ARG N N 15 119.4 0.1 . 1 . . . . 44 ARG N . 19074 1 507 . 1 1 45 45 LEU H H 1 7.44 0.01 . 1 . . . . 45 LEU H . 19074 1 508 . 1 1 45 45 LEU HA H 1 4.12 0.01 . 1 . . . . 45 LEU HA . 19074 1 509 . 1 1 45 45 LEU HB2 H 1 1.79 0.01 . 2 . . . . 45 LEU HB2 . 19074 1 510 . 1 1 45 45 LEU HB3 H 1 1.86 0.01 . 2 . . . . 45 LEU HB3 . 19074 1 511 . 1 1 45 45 LEU HG H 1 1.71 0.01 . 1 . . . . 45 LEU HG . 19074 1 512 . 1 1 45 45 LEU HD11 H 1 0.89 0.01 . 2 . . . . 45 LEU HD1 . 19074 1 513 . 1 1 45 45 LEU HD12 H 1 0.89 0.01 . 2 . . . . 45 LEU HD1 . 19074 1 514 . 1 1 45 45 LEU HD13 H 1 0.89 0.01 . 2 . . . . 45 LEU HD1 . 19074 1 515 . 1 1 45 45 LEU HD21 H 1 0.93 0.01 . 2 . . . . 45 LEU HD2 . 19074 1 516 . 1 1 45 45 LEU HD22 H 1 0.93 0.01 . 2 . . . . 45 LEU HD2 . 19074 1 517 . 1 1 45 45 LEU HD23 H 1 0.93 0.01 . 2 . . . . 45 LEU HD2 . 19074 1 518 . 1 1 45 45 LEU C C 13 178.5 0.1 . 1 . . . . 45 LEU C . 19074 1 519 . 1 1 45 45 LEU CA C 13 58.2 0.1 . 1 . . . . 45 LEU CA . 19074 1 520 . 1 1 45 45 LEU CB C 13 41.8 0.1 . 1 . . . . 45 LEU CB . 19074 1 521 . 1 1 45 45 LEU CG C 13 26.9 0.1 . 1 . . . . 45 LEU CG . 19074 1 522 . 1 1 45 45 LEU CD1 C 13 24.4 0.1 . 1 . . . . 45 LEU CD1 . 19074 1 523 . 1 1 45 45 LEU CD2 C 13 24.7 0.1 . 1 . . . . 45 LEU CD2 . 19074 1 524 . 1 1 45 45 LEU N N 15 122.0 0.1 . 1 . . . . 45 LEU N . 19074 1 525 . 1 1 46 46 LEU H H 1 8.15 0.01 . 1 . . . . 46 LEU H . 19074 1 526 . 1 1 46 46 LEU HA H 1 4.13 0.01 . 1 . . . . 46 LEU HA . 19074 1 527 . 1 1 46 46 LEU HB2 H 1 1.40 0.01 . 2 . . . . 46 LEU HB2 . 19074 1 528 . 1 1 46 46 LEU HB3 H 1 1.93 0.01 . 2 . . . . 46 LEU HB3 . 19074 1 529 . 1 1 46 46 LEU HG H 1 1.90 0.01 . 1 . . . . 46 LEU HG . 19074 1 530 . 1 1 46 46 LEU HD11 H 1 0.87 0.01 . 2 . . . . 46 LEU HD1 . 19074 1 531 . 1 1 46 46 LEU HD12 H 1 0.87 0.01 . 2 . . . . 46 LEU HD1 . 19074 1 532 . 1 1 46 46 LEU HD13 H 1 0.87 0.01 . 2 . . . . 46 LEU HD1 . 19074 1 533 . 1 1 46 46 LEU HD21 H 1 0.87 0.01 . 2 . . . . 46 LEU HD2 . 19074 1 534 . 1 1 46 46 LEU HD22 H 1 0.87 0.01 . 2 . . . . 46 LEU HD2 . 19074 1 535 . 1 1 46 46 LEU HD23 H 1 0.87 0.01 . 2 . . . . 46 LEU HD2 . 19074 1 536 . 1 1 46 46 LEU C C 13 179.9 0.1 . 1 . . . . 46 LEU C . 19074 1 537 . 1 1 46 46 LEU CA C 13 58.1 0.1 . 1 . . . . 46 LEU CA . 19074 1 538 . 1 1 46 46 LEU CB C 13 41.8 0.1 . 1 . . . . 46 LEU CB . 19074 1 539 . 1 1 46 46 LEU CG C 13 26.9 0.1 . 1 . . . . 46 LEU CG . 19074 1 540 . 1 1 46 46 LEU CD1 C 13 23.0 0.1 . 1 . . . . 46 LEU CD1 . 19074 1 541 . 1 1 46 46 LEU CD2 C 13 26.3 0.1 . 1 . . . . 46 LEU CD2 . 19074 1 542 . 1 1 46 46 LEU N N 15 119.1 0.1 . 1 . . . . 46 LEU N . 19074 1 543 . 1 1 47 47 GLU H H 1 8.04 0.01 . 1 . . . . 47 GLU H . 19074 1 544 . 1 1 47 47 GLU HA H 1 4.13 0.01 . 1 . . . . 47 GLU HA . 19074 1 545 . 1 1 47 47 GLU HB2 H 1 2.19 0.01 . 2 . . . . 47 GLU HB2 . 19074 1 546 . 1 1 47 47 GLU HB3 H 1 2.23 0.01 . 2 . . . . 47 GLU HB3 . 19074 1 547 . 1 1 47 47 GLU HG2 H 1 2.23 0.01 . 2 . . . . 47 GLU HG2 . 19074 1 548 . 1 1 47 47 GLU HG3 H 1 2.56 0.01 . 2 . . . . 47 GLU HG3 . 19074 1 549 . 1 1 47 47 GLU C C 13 179.7 0.1 . 1 . . . . 47 GLU C . 19074 1 550 . 1 1 47 47 GLU CA C 13 59.2 0.1 . 1 . . . . 47 GLU CA . 19074 1 551 . 1 1 47 47 GLU CB C 13 30.4 0.1 . 1 . . . . 47 GLU CB . 19074 1 552 . 1 1 47 47 GLU CG C 13 36.1 0.1 . 1 . . . . 47 GLU CG . 19074 1 553 . 1 1 47 47 GLU N N 15 118.7 0.1 . 1 . . . . 47 GLU N . 19074 1 554 . 1 1 48 48 ARG H H 1 8.35 0.01 . 1 . . . . 48 ARG H . 19074 1 555 . 1 1 48 48 ARG HB2 H 1 1.95 0.01 . 2 . . . . 48 ARG HB2 . 19074 1 556 . 1 1 48 48 ARG HB3 H 1 2.02 0.01 . 2 . . . . 48 ARG HB3 . 19074 1 557 . 1 1 48 48 ARG HG2 H 1 1.75 0.01 . 2 . . . . 48 ARG HG2 . 19074 1 558 . 1 1 48 48 ARG HG3 H 1 1.80 0.01 . 2 . . . . 48 ARG HG3 . 19074 1 559 . 1 1 48 48 ARG HD2 H 1 3.21 0.01 . 2 . . . . 48 ARG HD2 . 19074 1 560 . 1 1 48 48 ARG HD3 H 1 3.21 0.01 . 2 . . . . 48 ARG HD3 . 19074 1 561 . 1 1 48 48 ARG C C 13 178.1 0.1 . 1 . . . . 48 ARG C . 19074 1 562 . 1 1 48 48 ARG CA C 13 58.7 0.1 . 1 . . . . 48 ARG CA . 19074 1 563 . 1 1 48 48 ARG CB C 13 30.4 0.1 . 1 . . . . 48 ARG CB . 19074 1 564 . 1 1 48 48 ARG CG C 13 27.1 0.1 . 1 . . . . 48 ARG CG . 19074 1 565 . 1 1 48 48 ARG CD C 13 43.6 0.1 . 1 . . . . 48 ARG CD . 19074 1 566 . 1 1 48 48 ARG N N 15 120.6 0.1 . 1 . . . . 48 ARG N . 19074 1 567 . 1 1 49 49 ASN H H 1 8.45 0.01 . 1 . . . . 49 ASN H . 19074 1 568 . 1 1 49 49 ASN HB2 H 1 2.98 0.01 . 2 . . . . 49 ASN HB2 . 19074 1 569 . 1 1 49 49 ASN HB3 H 1 2.98 0.01 . 2 . . . . 49 ASN HB3 . 19074 1 570 . 1 1 49 49 ASN HD21 H 1 6.66 0.01 . 2 . . . . 49 ASN HD21 . 19074 1 571 . 1 1 49 49 ASN HD22 H 1 7.54 0.01 . 2 . . . . 49 ASN HD22 . 19074 1 572 . 1 1 49 49 ASN C C 13 176.4 0.1 . 1 . . . . 49 ASN C . 19074 1 573 . 1 1 49 49 ASN CA C 13 53.1 0.1 . 1 . . . . 49 ASN CA . 19074 1 574 . 1 1 49 49 ASN CB C 13 38.5 0.1 . 1 . . . . 49 ASN CB . 19074 1 575 . 1 1 49 49 ASN CG C 13 176.3 0.1 . 1 . . . . 49 ASN CG . 19074 1 576 . 1 1 49 49 ASN N N 15 115.4 0.1 . 1 . . . . 49 ASN N . 19074 1 577 . 1 1 49 49 ASN ND2 N 15 109.7 0.1 . 1 . . . . 49 ASN ND2 . 19074 1 578 . 1 1 50 50 GLY H H 1 7.84 0.01 . 1 . . . . 50 GLY H . 19074 1 579 . 1 1 50 50 GLY HA2 H 1 3.98 0.01 . 2 . . . . 50 GLY HA2 . 19074 1 580 . 1 1 50 50 GLY HA3 H 1 4.06 0.01 . 2 . . . . 50 GLY HA3 . 19074 1 581 . 1 1 50 50 GLY C C 13 174.9 0.1 . 1 . . . . 50 GLY C . 19074 1 582 . 1 1 50 50 GLY CA C 13 46.6 0.1 . 1 . . . . 50 GLY CA . 19074 1 583 . 1 1 50 50 GLY N N 15 109.8 0.1 . 1 . . . . 50 GLY N . 19074 1 584 . 1 1 51 51 GLU H H 1 8.07 0.01 . 1 . . . . 51 GLU H . 19074 1 585 . 1 1 51 51 GLU HA H 1 4.34 0.01 . 1 . . . . 51 GLU HA . 19074 1 586 . 1 1 51 51 GLU HB2 H 1 1.96 0.01 . 2 . . . . 51 GLU HB2 . 19074 1 587 . 1 1 51 51 GLU HB3 H 1 2.08 0.01 . 2 . . . . 51 GLU HB3 . 19074 1 588 . 1 1 51 51 GLU HG2 H 1 2.20 0.01 . 2 . . . . 51 GLU HG2 . 19074 1 589 . 1 1 51 51 GLU HG3 H 1 2.26 0.01 . 2 . . . . 51 GLU HG3 . 19074 1 590 . 1 1 51 51 GLU C C 13 176.1 0.1 . 1 . . . . 51 GLU C . 19074 1 591 . 1 1 51 51 GLU CA C 13 55.7 0.1 . 1 . . . . 51 GLU CA . 19074 1 592 . 1 1 51 51 GLU CB C 13 32.2 0.1 . 1 . . . . 51 GLU CB . 19074 1 593 . 1 1 51 51 GLU CG C 13 36.9 0.1 . 1 . . . . 51 GLU CG . 19074 1 594 . 1 1 51 51 GLU N N 15 120.1 0.1 . 1 . . . . 51 GLU N . 19074 1 595 . 1 1 52 52 ASP H H 1 8.60 0.01 . 1 . . . . 52 ASP H . 19074 1 596 . 1 1 52 52 ASP HB2 H 1 2.41 0.01 . 2 . . . . 52 ASP HB2 . 19074 1 597 . 1 1 52 52 ASP HB3 H 1 2.49 0.01 . 2 . . . . 52 ASP HB3 . 19074 1 598 . 1 1 52 52 ASP C C 13 176.3 0.1 . 1 . . . . 52 ASP C . 19074 1 599 . 1 1 52 52 ASP CA C 13 54.3 0.1 . 1 . . . . 52 ASP CA . 19074 1 600 . 1 1 52 52 ASP CB C 13 41.3 0.1 . 1 . . . . 52 ASP CB . 19074 1 601 . 1 1 52 52 ASP N N 15 123.5 0.1 . 1 . . . . 52 ASP N . 19074 1 602 . 1 1 53 53 TYR H H 1 9.65 0.01 . 1 . . . . 53 TYR H . 19074 1 603 . 1 1 53 53 TYR HB2 H 1 2.63 0.01 . 2 . . . . 53 TYR HB2 . 19074 1 604 . 1 1 53 53 TYR HB3 H 1 3.03 0.01 . 2 . . . . 53 TYR HB3 . 19074 1 605 . 1 1 53 53 TYR HD1 H 1 6.80 0.01 . 3 . . . . 53 TYR HD1 . 19074 1 606 . 1 1 53 53 TYR HD2 H 1 6.80 0.01 . 3 . . . . 53 TYR HD2 . 19074 1 607 . 1 1 53 53 TYR C C 13 172.3 0.1 . 1 . . . . 53 TYR C . 19074 1 608 . 1 1 53 53 TYR CA C 13 58.3 0.1 . 1 . . . . 53 TYR CA . 19074 1 609 . 1 1 53 53 TYR CB C 13 39.9 0.1 . 1 . . . . 53 TYR CB . 19074 1 610 . 1 1 53 53 TYR CD1 C 13 132.7 0.1 . 3 . . . . 53 TYR CD1 . 19074 1 611 . 1 1 53 53 TYR CD2 C 13 132.7 0.1 . 3 . . . . 53 TYR CD2 . 19074 1 612 . 1 1 53 53 TYR N N 15 121.5 0.1 . 1 . . . . 53 TYR N . 19074 1 613 . 1 1 54 54 ILE H H 1 6.88 0.01 . 1 . . . . 54 ILE H . 19074 1 614 . 1 1 54 54 ILE HB H 1 1.49 0.01 . 1 . . . . 54 ILE HB . 19074 1 615 . 1 1 54 54 ILE HG12 H 1 1.01 0.01 . 2 . . . . 54 ILE HG12 . 19074 1 616 . 1 1 54 54 ILE HG13 H 1 1.34 0.01 . 2 . . . . 54 ILE HG13 . 19074 1 617 . 1 1 54 54 ILE HG21 H 1 0.65 0.01 . 1 . . . . 54 ILE HG2 . 19074 1 618 . 1 1 54 54 ILE HG22 H 1 0.65 0.01 . 1 . . . . 54 ILE HG2 . 19074 1 619 . 1 1 54 54 ILE HG23 H 1 0.65 0.01 . 1 . . . . 54 ILE HG2 . 19074 1 620 . 1 1 54 54 ILE HD11 H 1 0.70 0.01 . 1 . . . . 54 ILE HD1 . 19074 1 621 . 1 1 54 54 ILE HD12 H 1 0.70 0.01 . 1 . . . . 54 ILE HD1 . 19074 1 622 . 1 1 54 54 ILE HD13 H 1 0.70 0.01 . 1 . . . . 54 ILE HD1 . 19074 1 623 . 1 1 54 54 ILE C C 13 174.9 0.1 . 1 . . . . 54 ILE C . 19074 1 624 . 1 1 54 54 ILE CA C 13 58.3 0.1 . 1 . . . . 54 ILE CA . 19074 1 625 . 1 1 54 54 ILE CB C 13 37.9 0.1 . 1 . . . . 54 ILE CB . 19074 1 626 . 1 1 54 54 ILE CG1 C 13 26.9 0.1 . 1 . . . . 54 ILE CG1 . 19074 1 627 . 1 1 54 54 ILE CG2 C 13 18.9 0.1 . 1 . . . . 54 ILE CG2 . 19074 1 628 . 1 1 54 54 ILE CD1 C 13 12.1 0.1 . 1 . . . . 54 ILE CD1 . 19074 1 629 . 1 1 54 54 ILE N N 15 127.6 0.1 . 1 . . . . 54 ILE N . 19074 1 630 . 1 1 55 55 CYS H H 1 9.03 0.01 . 1 . . . . 55 CYS H . 19074 1 631 . 1 1 55 55 CYS HA H 1 4.32 0.01 . 1 . . . . 55 CYS HA . 19074 1 632 . 1 1 55 55 CYS HB2 H 1 2.07 0.01 . 2 . . . . 55 CYS HB2 . 19074 1 633 . 1 1 55 55 CYS HB3 H 1 2.17 0.01 . 2 . . . . 55 CYS HB3 . 19074 1 634 . 1 1 55 55 CYS C C 13 174.9 0.1 . 1 . . . . 55 CYS C . 19074 1 635 . 1 1 55 55 CYS CA C 13 58.0 0.1 . 1 . . . . 55 CYS CA . 19074 1 636 . 1 1 55 55 CYS CB C 13 30.3 0.1 . 1 . . . . 55 CYS CB . 19074 1 637 . 1 1 55 55 CYS N N 15 131.6 0.1 . 1 . . . . 55 CYS N . 19074 1 638 . 1 1 56 56 PRO HA H 1 4.18 0.01 . 1 . . . . 56 PRO HA . 19074 1 639 . 1 1 56 56 PRO HB2 H 1 1.75 0.01 . 2 . . . . 56 PRO HB2 . 19074 1 640 . 1 1 56 56 PRO HB3 H 1 2.42 0.01 . 2 . . . . 56 PRO HB3 . 19074 1 641 . 1 1 56 56 PRO HG2 H 1 1.95 0.01 . 2 . . . . 56 PRO HG2 . 19074 1 642 . 1 1 56 56 PRO HG3 H 1 1.95 0.01 . 2 . . . . 56 PRO HG3 . 19074 1 643 . 1 1 56 56 PRO HD2 H 1 2.98 0.01 . 2 . . . . 56 PRO HD2 . 19074 1 644 . 1 1 56 56 PRO HD3 H 1 3.77 0.01 . 2 . . . . 56 PRO HD3 . 19074 1 645 . 1 1 56 56 PRO C C 13 178.8 0.1 . 1 . . . . 56 PRO C . 19074 1 646 . 1 1 56 56 PRO CA C 13 65.3 0.1 . 1 . . . . 56 PRO CA . 19074 1 647 . 1 1 56 56 PRO CB C 13 32.3 0.1 . 1 . . . . 56 PRO CB . 19074 1 648 . 1 1 56 56 PRO CG C 13 28.0 0.1 . 1 . . . . 56 PRO CG . 19074 1 649 . 1 1 56 56 PRO CD C 13 50.1 0.1 . 1 . . . . 56 PRO CD . 19074 1 650 . 1 1 57 57 ASN H H 1 8.30 0.01 . 1 . . . . 57 ASN H . 19074 1 651 . 1 1 57 57 ASN HA H 1 4.56 0.01 . 1 . . . . 57 ASN HA . 19074 1 652 . 1 1 57 57 ASN HB2 H 1 2.84 0.01 . 2 . . . . 57 ASN HB2 . 19074 1 653 . 1 1 57 57 ASN HB3 H 1 3.06 0.01 . 2 . . . . 57 ASN HB3 . 19074 1 654 . 1 1 57 57 ASN HD21 H 1 6.87 0.01 . 2 . . . . 57 ASN HD21 . 19074 1 655 . 1 1 57 57 ASN HD22 H 1 8.08 0.01 . 2 . . . . 57 ASN HD22 . 19074 1 656 . 1 1 57 57 ASN C C 13 177.2 0.1 . 1 . . . . 57 ASN C . 19074 1 657 . 1 1 57 57 ASN CA C 13 55.4 0.1 . 1 . . . . 57 ASN CA . 19074 1 658 . 1 1 57 57 ASN CB C 13 38.7 0.1 . 1 . . . . 57 ASN CB . 19074 1 659 . 1 1 57 57 ASN CG C 13 176.6 0.1 . 1 . . . . 57 ASN CG . 19074 1 660 . 1 1 57 57 ASN N N 15 116.3 0.1 . 1 . . . . 57 ASN N . 19074 1 661 . 1 1 57 57 ASN ND2 N 15 113.1 0.1 . 1 . . . . 57 ASN ND2 . 19074 1 662 . 1 1 58 58 CYS H H 1 8.33 0.01 . 1 . . . . 58 CYS H . 19074 1 663 . 1 1 58 58 CYS HA H 1 4.01 0.01 . 1 . . . . 58 CYS HA . 19074 1 664 . 1 1 58 58 CYS HB2 H 1 2.75 0.01 . 2 . . . . 58 CYS HB2 . 19074 1 665 . 1 1 58 58 CYS HB3 H 1 2.82 0.01 . 2 . . . . 58 CYS HB3 . 19074 1 666 . 1 1 58 58 CYS C C 13 176.5 0.1 . 1 . . . . 58 CYS C . 19074 1 667 . 1 1 58 58 CYS CA C 13 62.7 0.1 . 1 . . . . 58 CYS CA . 19074 1 668 . 1 1 58 58 CYS CB C 13 30.5 0.1 . 1 . . . . 58 CYS CB . 19074 1 669 . 1 1 58 58 CYS N N 15 122.5 0.1 . 1 . . . . 58 CYS N . 19074 1 670 . 1 1 59 59 THR H H 1 7.60 0.01 . 1 . . . . 59 THR H . 19074 1 671 . 1 1 59 59 THR HA H 1 3.84 0.01 . 1 . . . . 59 THR HA . 19074 1 672 . 1 1 59 59 THR HB H 1 4.05 0.01 . 1 . . . . 59 THR HB . 19074 1 673 . 1 1 59 59 THR HG21 H 1 1.09 0.01 . 1 . . . . 59 THR HG2 . 19074 1 674 . 1 1 59 59 THR HG22 H 1 1.09 0.01 . 1 . . . . 59 THR HG2 . 19074 1 675 . 1 1 59 59 THR HG23 H 1 1.09 0.01 . 1 . . . . 59 THR HG2 . 19074 1 676 . 1 1 59 59 THR C C 13 174.1 0.1 . 1 . . . . 59 THR C . 19074 1 677 . 1 1 59 59 THR CA C 13 64.6 0.1 . 1 . . . . 59 THR CA . 19074 1 678 . 1 1 59 59 THR CB C 13 69.5 0.1 . 1 . . . . 59 THR CB . 19074 1 679 . 1 1 59 59 THR CG2 C 13 21.1 0.1 . 1 . . . . 59 THR CG2 . 19074 1 680 . 1 1 59 59 THR N N 15 115.7 0.1 . 1 . . . . 59 THR N . 19074 1 681 . 1 1 60 60 ILE H H 1 7.45 0.01 . 1 . . . . 60 ILE H . 19074 1 682 . 1 1 60 60 ILE HA H 1 4.21 0.01 . 1 . . . . 60 ILE HA . 19074 1 683 . 1 1 60 60 ILE HB H 1 1.95 0.01 . 1 . . . . 60 ILE HB . 19074 1 684 . 1 1 60 60 ILE HG12 H 1 1.17 0.01 . 2 . . . . 60 ILE HG12 . 19074 1 685 . 1 1 60 60 ILE HG13 H 1 1.40 0.01 . 2 . . . . 60 ILE HG13 . 19074 1 686 . 1 1 60 60 ILE HG21 H 1 0.90 0.01 . 1 . . . . 60 ILE HG2 . 19074 1 687 . 1 1 60 60 ILE HG22 H 1 0.90 0.01 . 1 . . . . 60 ILE HG2 . 19074 1 688 . 1 1 60 60 ILE HG23 H 1 0.90 0.01 . 1 . . . . 60 ILE HG2 . 19074 1 689 . 1 1 60 60 ILE HD11 H 1 0.86 0.01 . 1 . . . . 60 ILE HD1 . 19074 1 690 . 1 1 60 60 ILE HD12 H 1 0.86 0.01 . 1 . . . . 60 ILE HD1 . 19074 1 691 . 1 1 60 60 ILE HD13 H 1 0.86 0.01 . 1 . . . . 60 ILE HD1 . 19074 1 692 . 1 1 60 60 ILE C C 13 175.2 0.1 . 1 . . . . 60 ILE C . 19074 1 693 . 1 1 60 60 ILE CA C 13 61.2 0.1 . 1 . . . . 60 ILE CA . 19074 1 694 . 1 1 60 60 ILE CB C 13 38.4 0.1 . 1 . . . . 60 ILE CB . 19074 1 695 . 1 1 60 60 ILE CG1 C 13 26.8 0.1 . 1 . . . . 60 ILE CG1 . 19074 1 696 . 1 1 60 60 ILE CG2 C 13 17.7 0.1 . 1 . . . . 60 ILE CG2 . 19074 1 697 . 1 1 60 60 ILE CD1 C 13 13.3 0.1 . 1 . . . . 60 ILE CD1 . 19074 1 698 . 1 1 60 60 ILE N N 15 120.6 0.1 . 1 . . . . 60 ILE N . 19074 1 699 . 1 1 61 61 LEU H H 1 7.55 0.01 . 1 . . . . 61 LEU H . 19074 1 700 . 1 1 61 61 LEU HA H 1 4.14 0.01 . 1 . . . . 61 LEU HA . 19074 1 701 . 1 1 61 61 LEU HB2 H 1 1.52 0.01 . 2 . . . . 61 LEU HB2 . 19074 1 702 . 1 1 61 61 LEU HB3 H 1 1.60 0.01 . 2 . . . . 61 LEU HB3 . 19074 1 703 . 1 1 61 61 LEU HG H 1 1.63 0.01 . 1 . . . . 61 LEU HG . 19074 1 704 . 1 1 61 61 LEU HD11 H 1 0.83 0.01 . 2 . . . . 61 LEU HD1 . 19074 1 705 . 1 1 61 61 LEU HD12 H 1 0.83 0.01 . 2 . . . . 61 LEU HD1 . 19074 1 706 . 1 1 61 61 LEU HD13 H 1 0.83 0.01 . 2 . . . . 61 LEU HD1 . 19074 1 707 . 1 1 61 61 LEU HD21 H 1 0.89 0.01 . 2 . . . . 61 LEU HD2 . 19074 1 708 . 1 1 61 61 LEU HD22 H 1 0.89 0.01 . 2 . . . . 61 LEU HD2 . 19074 1 709 . 1 1 61 61 LEU HD23 H 1 0.89 0.01 . 2 . . . . 61 LEU HD2 . 19074 1 710 . 1 1 61 61 LEU CA C 13 56.8 0.1 . 1 . . . . 61 LEU CA . 19074 1 711 . 1 1 61 61 LEU CB C 13 43.2 0.1 . 1 . . . . 61 LEU CB . 19074 1 712 . 1 1 61 61 LEU CG C 13 27.0 0.1 . 1 . . . . 61 LEU CG . 19074 1 713 . 1 1 61 61 LEU CD1 C 13 23.3 0.1 . 1 . . . . 61 LEU CD1 . 19074 1 714 . 1 1 61 61 LEU CD2 C 13 25.5 0.1 . 1 . . . . 61 LEU CD2 . 19074 1 715 . 1 1 61 61 LEU N N 15 131.2 0.1 . 1 . . . . 61 LEU N . 19074 1 stop_ save_