data_19724 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19724 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of the Cytoplasmic Tail of Ig-beta (CD79b) in a Heterodimeric Construct ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-08 _Entry.Accession_date 2014-01-08 _Entry.Last_release_date 2014-02-06 _Entry.Original_release_date 2014-02-06 _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 Detlef Bentrop . . . 19724 2 Pavel Salavei . . . 19724 3 Michael Reth . . . 19724 4 Bernd Fakler . . . 19724 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19724 heteronucl_NOEs 1 19724 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 119 19724 '15N chemical shifts' 83 19724 '1H chemical shifts' 283 19724 'heteronuclear NOE values' 79 19724 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-06 2014-01-08 original author . 19724 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19723 'Ig-alpha Ig-beta construct' 19724 BMRB 19725 'Ig-alpha YE variant Ig-beta construct' 19724 EMBL M80461.1 'Entry containing the amino acid sequence of full-length Ig-beta (CD79b)' 19724 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19724 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'A heterodimeric construct mimicking the cytoplasmic region of the B-cell antigen receptor complex-associated protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pavel Salavei . . . 19724 1 2 Detlef Bentrop . . . 19724 1 3 Michael Reth . . . 19724 1 4 Bernd Fakler . . . 19724 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 19724 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10623552 _Citation.Full_citation . _Citation.Title 'A heterodimeric coiled-coil peptide pair selected in vivo from a designed library-versus-library ensemble' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 295 _Citation.Journal_issue 3 _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 627 _Citation.Page_last 639 _Citation.Year 2000 _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 Katja Arndt . M. . 19724 2 2 Joelle Pelletier . N. . 19724 2 3 Kristian Mueller . M. . 19724 2 4 Tom Alber . . . 19724 2 5 Stephen Michnick . W. . 19724 2 6 Andreas Plueckthun . . . 19724 2 stop_ save_ save_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode citation_3 _Citation.Entry_ID 19724 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11545598 _Citation.Full_citation . _Citation.Title ; Helix-stabilized Fv (hsFv) Antibody Fragments: Substituting the Constant Domains of a Fab Fragment for a Heterodimeric Coiled-coil Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 312 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 221 _Citation.Page_last 228 _Citation.Year 2001 _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 Katja Arndt . M. . 19724 3 2 Kristian Mueller . M. . 19724 3 3 Andreas Plueckthun . . . 19724 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19724 _Assembly.ID 1 _Assembly.Name 'Ig-alpha Ig-beta construct' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 20800 _Assembly.Enzyme_commission_number . _Assembly.Details ; Heterodimeric assembly of the cytoplasmic regions of Ig-alpha (CD79a) and Ig-beta (CD79b) in which the TM helices of the alpha and beta chain were substituted by a coiled-coil domain (leucine zipper)" ; _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 'Ig-alpha Ig-beta construct, subunit 1' 1 $cytoplasmic_Ig-alpha_polypeptide A . no na no no . . . 19724 1 2 'Ig-alpha Ig-beta construct, subunit 2' 2 $cytoplasmic_Ig-beta_polypeptide A . yes 'partially disordered' no no . . . 19724 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytoplasmic_Ig-alpha_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode cytoplasmic_Ig-alpha_polypeptide _Entity.Entry_ID 19724 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cytoplasmic_Ig-alpha_polypeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SGGVAQLRERVKTLRAQNYE LESEVQRLREQVAQLSGGRK RWQNEKLGLDAGDEYEDENL YEGLNLDDCSMYEDISRGLQ GTYQDVGSLNIGDVQLEKP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-3 represent a linker to an affinity tag that was removed by proteolysis. Residues 4-35 are a coiled-coil heterodimerization domain (A2, see citation 3 and 1, respectively). Residues 36-38 represent a linker. Residues 39-99 are the cytoplasmic region of human Ig-alpha and contain an immunoreceptor tyrosine-based activation motif (ITAM). ; _Entity.Ambiguous_conformational_states yes _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes EMBL S46706.1 . "membrane-bound immunoglobulin associated protein" . . . . . . . . . . . . . . 19724 1 2 no BMRB 18867 . CD79a . . . . . 61.62 63 100.00 100.00 1.06e-34 . . . . 19724 1 3 no BMRB 19644 . CD79a_cyt . . . . . 60.61 61 100.00 100.00 3.16e-33 . . . . 19724 1 4 no BMRB 19645 . CD79a_cyt . . . . . 61.62 63 100.00 100.00 1.06e-34 . . . . 19724 1 5 no BMRB 19648 . CD79a_cyt_phosp . . . . . 61.62 63 100.00 100.00 1.06e-34 . . . . 19724 1 6 no BMRB 19649 . CD79a_cyt_phosph_assigned_chem_shift_list . . . . . 61.62 63 100.00 100.00 1.06e-34 . . . . 19724 1 7 no BMRB 19723 . cytoplasmic_Ig-alpha_polypeptide . . . . . 100.00 99 100.00 100.00 6.85e-62 . . . . 19724 1 8 no BMRB 19725 . cytoplasmic_Ig-alpha_polypeptide_Y_to_E_double_mutant . . . . . 100.00 99 97.98 97.98 2.05e-59 . . . . 19724 1 9 no DBJ BAD97091 . "CD79A antigen isoform 1 precursor variant [Homo sapiens]" . . . . . 61.62 226 98.36 98.36 4.09e-33 . . . . 19724 1 10 no DBJ BAG37737 . "unnamed protein product [Homo sapiens]" . . . . . 61.62 226 100.00 100.00 3.92e-34 . . . . 19724 1 11 no EMBL CAA58523 . "Ig-alpha, variant [Homo sapiens]" . . . . . 61.62 188 100.00 100.00 1.22e-34 . . . . 19724 1 12 no GB AAA20495 . "MB-1 [Homo sapiens]" . . . . . 61.62 226 100.00 100.00 3.92e-34 . . . . 19724 1 13 no GB AAA57274 . "immunoglobulin-associated signalling molecule [Homo sapiens]" . . . . . 61.62 226 100.00 100.00 3.92e-34 . . . . 19724 1 14 no GB AAA59556 . "extracellular domain [Homo sapiens]" . . . . . 61.62 226 100.00 100.00 3.92e-34 . . . . 19724 1 15 no GB AAA59557 . "signal transduction via sig in B lymphocytes; putative [Homo sapiens]" . . . . . 61.62 226 100.00 100.00 3.92e-34 . . . . 19724 1 16 no GB AAA60270 . "B-cell antigen receptor alpha subunit [Homo sapiens]" . . . . . 61.62 226 100.00 100.00 4.64e-34 . . . . 19724 1 17 no REF NP_001774 . "B-cell antigen receptor complex-associated protein alpha chain isoform 1 precursor [Homo sapiens]" . . . . . 61.62 226 100.00 100.00 3.92e-34 . . . . 19724 1 18 no REF NP_067612 . "B-cell antigen receptor complex-associated protein alpha chain isoform 2 precursor [Homo sapiens]" . . . . . 61.62 188 100.00 100.00 1.22e-34 . . . . 19724 1 19 no REF XP_001152742 . "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain [Pan troglodytes]" . . . . . 61.62 226 100.00 100.00 3.52e-34 . . . . 19724 1 20 no REF XP_002829327 . "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain isoform X1 [Pongo abelii]" . . . . . 61.62 227 100.00 100.00 3.60e-34 . . . . 19724 1 21 no REF XP_003779238 . "PREDICTED: B-cell antigen receptor complex-associated protein alpha chain isoform X2 [Pongo abelii]" . . . . . 61.62 189 100.00 100.00 1.03e-34 . . . . 19724 1 22 no SP P11912 . "RecName: Full=B-cell antigen receptor complex-associated protein alpha chain; AltName: Full=Ig-alpha; AltName: Full=MB-1 membra" . . . . . 61.62 226 100.00 100.00 3.92e-34 . . . . 19724 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 . SER . 19724 1 2 . GLY . 19724 1 3 . GLY . 19724 1 4 . VAL . 19724 1 5 . ALA . 19724 1 6 . GLN . 19724 1 7 . LEU . 19724 1 8 . ARG . 19724 1 9 . GLU . 19724 1 10 . ARG . 19724 1 11 . VAL . 19724 1 12 . LYS . 19724 1 13 . THR . 19724 1 14 . LEU . 19724 1 15 . ARG . 19724 1 16 . ALA . 19724 1 17 . GLN . 19724 1 18 . ASN . 19724 1 19 . TYR . 19724 1 20 . GLU . 19724 1 21 . LEU . 19724 1 22 . GLU . 19724 1 23 . SER . 19724 1 24 . GLU . 19724 1 25 . VAL . 19724 1 26 . GLN . 19724 1 27 . ARG . 19724 1 28 . LEU . 19724 1 29 . ARG . 19724 1 30 . GLU . 19724 1 31 . GLN . 19724 1 32 . VAL . 19724 1 33 . ALA . 19724 1 34 . GLN . 19724 1 35 . LEU . 19724 1 36 . SER . 19724 1 37 . GLY . 19724 1 38 . GLY . 19724 1 39 . ARG . 19724 1 40 . LYS . 19724 1 41 . ARG . 19724 1 42 . TRP . 19724 1 43 . GLN . 19724 1 44 . ASN . 19724 1 45 . GLU . 19724 1 46 . LYS . 19724 1 47 . LEU . 19724 1 48 . GLY . 19724 1 49 . LEU . 19724 1 50 . ASP . 19724 1 51 . ALA . 19724 1 52 . GLY . 19724 1 53 . ASP . 19724 1 54 . GLU . 19724 1 55 . TYR . 19724 1 56 . GLU . 19724 1 57 . ASP . 19724 1 58 . GLU . 19724 1 59 . ASN . 19724 1 60 . LEU . 19724 1 61 . TYR . 19724 1 62 . GLU . 19724 1 63 . GLY . 19724 1 64 . LEU . 19724 1 65 . ASN . 19724 1 66 . LEU . 19724 1 67 . ASP . 19724 1 68 . ASP . 19724 1 69 . CYS . 19724 1 70 . SER . 19724 1 71 . MET . 19724 1 72 . TYR . 19724 1 73 . GLU . 19724 1 74 . ASP . 19724 1 75 . ILE . 19724 1 76 . SER . 19724 1 77 . ARG . 19724 1 78 . GLY . 19724 1 79 . LEU . 19724 1 80 . GLN . 19724 1 81 . GLY . 19724 1 82 . THR . 19724 1 83 . TYR . 19724 1 84 . GLN . 19724 1 85 . ASP . 19724 1 86 . VAL . 19724 1 87 . GLY . 19724 1 88 . SER . 19724 1 89 . LEU . 19724 1 90 . ASN . 19724 1 91 . ILE . 19724 1 92 . GLY . 19724 1 93 . ASP . 19724 1 94 . VAL . 19724 1 95 . GLN . 19724 1 96 . LEU . 19724 1 97 . GLU . 19724 1 98 . LYS . 19724 1 99 . PRO . 19724 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 . SER 1 1 19724 1 . GLY 2 2 19724 1 . GLY 3 3 19724 1 . VAL 4 4 19724 1 . ALA 5 5 19724 1 . GLN 6 6 19724 1 . LEU 7 7 19724 1 . ARG 8 8 19724 1 . GLU 9 9 19724 1 . ARG 10 10 19724 1 . VAL 11 11 19724 1 . LYS 12 12 19724 1 . THR 13 13 19724 1 . LEU 14 14 19724 1 . ARG 15 15 19724 1 . ALA 16 16 19724 1 . GLN 17 17 19724 1 . ASN 18 18 19724 1 . TYR 19 19 19724 1 . GLU 20 20 19724 1 . LEU 21 21 19724 1 . GLU 22 22 19724 1 . SER 23 23 19724 1 . GLU 24 24 19724 1 . VAL 25 25 19724 1 . GLN 26 26 19724 1 . ARG 27 27 19724 1 . LEU 28 28 19724 1 . ARG 29 29 19724 1 . GLU 30 30 19724 1 . GLN 31 31 19724 1 . VAL 32 32 19724 1 . ALA 33 33 19724 1 . GLN 34 34 19724 1 . LEU 35 35 19724 1 . SER 36 36 19724 1 . GLY 37 37 19724 1 . GLY 38 38 19724 1 . ARG 39 39 19724 1 . LYS 40 40 19724 1 . ARG 41 41 19724 1 . TRP 42 42 19724 1 . GLN 43 43 19724 1 . ASN 44 44 19724 1 . GLU 45 45 19724 1 . LYS 46 46 19724 1 . LEU 47 47 19724 1 . GLY 48 48 19724 1 . LEU 49 49 19724 1 . ASP 50 50 19724 1 . ALA 51 51 19724 1 . GLY 52 52 19724 1 . ASP 53 53 19724 1 . GLU 54 54 19724 1 . TYR 55 55 19724 1 . GLU 56 56 19724 1 . ASP 57 57 19724 1 . GLU 58 58 19724 1 . ASN 59 59 19724 1 . LEU 60 60 19724 1 . TYR 61 61 19724 1 . GLU 62 62 19724 1 . GLY 63 63 19724 1 . LEU 64 64 19724 1 . ASN 65 65 19724 1 . LEU 66 66 19724 1 . ASP 67 67 19724 1 . ASP 68 68 19724 1 . CYS 69 69 19724 1 . SER 70 70 19724 1 . MET 71 71 19724 1 . TYR 72 72 19724 1 . GLU 73 73 19724 1 . ASP 74 74 19724 1 . ILE 75 75 19724 1 . SER 76 76 19724 1 . ARG 77 77 19724 1 . GLY 78 78 19724 1 . LEU 79 79 19724 1 . GLN 80 80 19724 1 . GLY 81 81 19724 1 . THR 82 82 19724 1 . TYR 83 83 19724 1 . GLN 84 84 19724 1 . ASP 85 85 19724 1 . VAL 86 86 19724 1 . GLY 87 87 19724 1 . SER 88 88 19724 1 . LEU 89 89 19724 1 . ASN 90 90 19724 1 . ILE 91 91 19724 1 . GLY 92 92 19724 1 . ASP 93 93 19724 1 . VAL 94 94 19724 1 . GLN 95 95 19724 1 . LEU 96 96 19724 1 . GLU 97 97 19724 1 . LYS 98 98 19724 1 . PRO 99 99 19724 1 stop_ save_ save_cytoplasmic_Ig-beta_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode cytoplasmic_Ig-beta_polypeptide _Entity.Entry_ID 19724 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name cytoplasmic_Ig-beta_polypeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SGGVDELQAEVDQLQDENYA LKTKVAQLRKKVEKLSGGDK DDSKAGMEEDHTYEGLDIDQ TATYEDIVTLRTGEVKWSVG EHPGQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-3 represent a linker to an affinity tag that was removed by proteolysis. Residues 4-35 are a coiled-coil heterodimerization domain (B1, see citation 3 and 1, respectively). Residues 36-38 represent a linker. Residues 39-86 are the cytoplasmic region of human Ig-beta and contain an immunoreceptor tyrosine-based activation motif (ITAM). ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 EMBL M80461.1 . "human immunoglobulin-associated protein B29" . . . . . . . . . . . . . . 19724 2 2 no BMRB 18884 . CD79b . . . . . 55.81 51 100.00 100.00 2.92e-25 . . . . 19724 2 3 no BMRB 19650 . CD79b_cyt . . . . . 55.81 51 100.00 100.00 2.92e-25 . . . . 19724 2 4 no BMRB 19651 . CD79b_cyt . . . . . 55.81 51 100.00 100.00 2.92e-25 . . . . 19724 2 5 no BMRB 19723 . cytoplasmic_Ig-beta_polypeptide . . . . . 100.00 86 100.00 100.00 9.06e-53 . . . . 19724 2 6 no BMRB 19725 . cytoplasmic_Ig-beta_polypeptide . . . . . 100.00 86 100.00 100.00 9.06e-53 . . . . 19724 2 7 no GB EDM06394 . "CD79B antigen [Rattus norvegicus]" . . . . . 55.81 289 97.92 100.00 3.27e-24 . . . . 19724 2 8 no GB EGV99168 . "B-cell antigen receptor complex-associated protein beta chain [Cricetulus griseus]" . . . . . 55.81 211 97.92 100.00 2.28e-24 . . . . 19724 2 9 no GB ELW67499 . "B-cell antigen receptor complex-associated protein beta chain [Tupaia chinensis]" . . . . . 55.81 231 100.00 100.00 1.61e-24 . . . . 19724 2 10 no REF XP_003501912 . "PREDICTED: B-cell antigen receptor complex-associated protein beta chain isoform X1 [Cricetulus griseus]" . . . . . 55.81 228 97.92 100.00 2.72e-24 . . . . 19724 2 11 no REF XP_003913329 . "PREDICTED: B-cell antigen receptor complex-associated protein beta chain isoform X1 [Papio anubis]" . . . . . 55.81 230 100.00 100.00 1.24e-24 . . . . 19724 2 12 no REF XP_006041680 . "PREDICTED: B-cell antigen receptor complex-associated protein beta chain isoform X1 [Bubalus bubalis]" . . . . . 55.81 458 100.00 100.00 5.32e-25 . . . . 19724 2 13 no REF XP_006041681 . "PREDICTED: B-cell antigen receptor complex-associated protein beta chain isoform X2 [Bubalus bubalis]" . . . . . 55.81 378 100.00 100.00 6.27e-25 . . . . 19724 2 14 no REF XP_006146855 . "PREDICTED: B-cell antigen receptor complex-associated protein beta chain isoform X1 [Tupaia chinensis]" . . . . . 55.81 235 100.00 100.00 2.82e-24 . . . . 19724 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 . SER . 19724 2 2 . GLY . 19724 2 3 . GLY . 19724 2 4 . VAL . 19724 2 5 . ASP . 19724 2 6 . GLU . 19724 2 7 . LEU . 19724 2 8 . GLN . 19724 2 9 . ALA . 19724 2 10 . GLU . 19724 2 11 . VAL . 19724 2 12 . ASP . 19724 2 13 . GLN . 19724 2 14 . LEU . 19724 2 15 . GLN . 19724 2 16 . ASP . 19724 2 17 . GLU . 19724 2 18 . ASN . 19724 2 19 . TYR . 19724 2 20 . ALA . 19724 2 21 . LEU . 19724 2 22 . LYS . 19724 2 23 . THR . 19724 2 24 . LYS . 19724 2 25 . VAL . 19724 2 26 . ALA . 19724 2 27 . GLN . 19724 2 28 . LEU . 19724 2 29 . ARG . 19724 2 30 . LYS . 19724 2 31 . LYS . 19724 2 32 . VAL . 19724 2 33 . GLU . 19724 2 34 . LYS . 19724 2 35 . LEU . 19724 2 36 . SER . 19724 2 37 . GLY . 19724 2 38 . GLY . 19724 2 39 . ASP . 19724 2 40 . LYS . 19724 2 41 . ASP . 19724 2 42 . ASP . 19724 2 43 . SER . 19724 2 44 . LYS . 19724 2 45 . ALA . 19724 2 46 . GLY . 19724 2 47 . MET . 19724 2 48 . GLU . 19724 2 49 . GLU . 19724 2 50 . ASP . 19724 2 51 . HIS . 19724 2 52 . THR . 19724 2 53 . TYR . 19724 2 54 . GLU . 19724 2 55 . GLY . 19724 2 56 . LEU . 19724 2 57 . ASP . 19724 2 58 . ILE . 19724 2 59 . ASP . 19724 2 60 . GLN . 19724 2 61 . THR . 19724 2 62 . ALA . 19724 2 63 . THR . 19724 2 64 . TYR . 19724 2 65 . GLU . 19724 2 66 . ASP . 19724 2 67 . ILE . 19724 2 68 . VAL . 19724 2 69 . THR . 19724 2 70 . LEU . 19724 2 71 . ARG . 19724 2 72 . THR . 19724 2 73 . GLY . 19724 2 74 . GLU . 19724 2 75 . VAL . 19724 2 76 . LYS . 19724 2 77 . TRP . 19724 2 78 . SER . 19724 2 79 . VAL . 19724 2 80 . GLY . 19724 2 81 . GLU . 19724 2 82 . HIS . 19724 2 83 . PRO . 19724 2 84 . GLY . 19724 2 85 . GLN . 19724 2 86 . GLU . 19724 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 . SER 1 1 19724 2 . GLY 2 2 19724 2 . GLY 3 3 19724 2 . VAL 4 4 19724 2 . ASP 5 5 19724 2 . GLU 6 6 19724 2 . LEU 7 7 19724 2 . GLN 8 8 19724 2 . ALA 9 9 19724 2 . GLU 10 10 19724 2 . VAL 11 11 19724 2 . ASP 12 12 19724 2 . GLN 13 13 19724 2 . LEU 14 14 19724 2 . GLN 15 15 19724 2 . ASP 16 16 19724 2 . GLU 17 17 19724 2 . ASN 18 18 19724 2 . TYR 19 19 19724 2 . ALA 20 20 19724 2 . LEU 21 21 19724 2 . LYS 22 22 19724 2 . THR 23 23 19724 2 . LYS 24 24 19724 2 . VAL 25 25 19724 2 . ALA 26 26 19724 2 . GLN 27 27 19724 2 . LEU 28 28 19724 2 . ARG 29 29 19724 2 . LYS 30 30 19724 2 . LYS 31 31 19724 2 . VAL 32 32 19724 2 . GLU 33 33 19724 2 . LYS 34 34 19724 2 . LEU 35 35 19724 2 . SER 36 36 19724 2 . GLY 37 37 19724 2 . GLY 38 38 19724 2 . ASP 39 39 19724 2 . LYS 40 40 19724 2 . ASP 41 41 19724 2 . ASP 42 42 19724 2 . SER 43 43 19724 2 . LYS 44 44 19724 2 . ALA 45 45 19724 2 . GLY 46 46 19724 2 . MET 47 47 19724 2 . GLU 48 48 19724 2 . GLU 49 49 19724 2 . ASP 50 50 19724 2 . HIS 51 51 19724 2 . THR 52 52 19724 2 . TYR 53 53 19724 2 . GLU 54 54 19724 2 . GLY 55 55 19724 2 . LEU 56 56 19724 2 . ASP 57 57 19724 2 . ILE 58 58 19724 2 . ASP 59 59 19724 2 . GLN 60 60 19724 2 . THR 61 61 19724 2 . ALA 62 62 19724 2 . THR 63 63 19724 2 . TYR 64 64 19724 2 . GLU 65 65 19724 2 . ASP 66 66 19724 2 . ILE 67 67 19724 2 . VAL 68 68 19724 2 . THR 69 69 19724 2 . LEU 70 70 19724 2 . ARG 71 71 19724 2 . THR 72 72 19724 2 . GLY 73 73 19724 2 . GLU 74 74 19724 2 . VAL 75 75 19724 2 . LYS 76 76 19724 2 . TRP 77 77 19724 2 . SER 78 78 19724 2 . VAL 79 79 19724 2 . GLY 80 80 19724 2 . GLU 81 81 19724 2 . HIS 82 82 19724 2 . PRO 83 83 19724 2 . GLY 84 84 19724 2 . GLN 85 85 19724 2 . GLU 86 86 19724 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19724 _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 $cytoplasmic_Ig-alpha_polypeptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19724 1 2 2 $cytoplasmic_Ig-beta_polypeptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19724 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 19724 _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 $cytoplasmic_Ig-alpha_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta2 (DE3) pLysS' . . . . . . . . . . . . . . . pET23a . . . . . . 19724 1 2 2 $cytoplasmic_Ig-beta_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta2 (DE3) pLysS' . . . . . . . . . . . . . . . pET23a . . . . . . 19724 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19724 _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 'cytoplasmic Ig-alpha polypeptide' 'natural abundance' . . 1 $cytoplasmic_Ig-alpha_polypeptide . . 0.5 . . mM . . . . 19724 1 2 'cytoplasmic Ig-beta polypeptide' '[U-98% 13C; U-98% 15N]' . . 2 $cytoplasmic_Ig-beta_polypeptide . . 0.5 . . mM . . . . 19724 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19724 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19724 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'cytoplasmic Ig-alpha polypeptide' 'natural abundance' . . 1 $cytoplasmic_Ig-alpha_polypeptide . . 0.25 . . mM . . . . 19724 2 2 'cytoplasmic Ig-beta polypeptide' '[U-98% 13C; U-98% 15N]' . . 2 $cytoplasmic_Ig-beta_polypeptide . . 0.25 . . mM . . . . 19724 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19724 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19724 _Sample.ID 3 _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 'cytoplasmic Ig-alpha polypeptide' 'natural abundance' . . 1 $cytoplasmic_Ig-alpha_polypeptide . . 0.3 . . mM . . . . 19724 3 2 'cytoplasmic Ig-beta polypeptide' '[U-98% 15N]' . . 2 $cytoplasmic_Ig-beta_polypeptide . . 0.3 . . mM . . . . 19724 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19724 3 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 19724 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 19724 1 pressure 1 . atm 19724 1 temperature 298 . K 19724 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19724 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19724 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data acquisition' 19724 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19724 _Software.ID 2 _Software.Name CARA _Software.Version v1.8.4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19724 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19724 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19724 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19724 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TCI cryprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19724 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'TXI cryoprobe' . . 19724 1 2 spectrometer_2 Bruker Avance . 700 'TCI cryprobe' . . 19724 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 19724 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19724 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19724 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19724 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19724 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19724 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19724 1 7 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19724 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19724 1 9 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19724 1 10 '2D 1H-15N heteroNOE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19724 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19724 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19724 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19724 _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 . . . . . . . . . 19724 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19724 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19724 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 19724 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCA' . . . 19724 1 3 '3D HN(CO)CA' . . . 19724 1 5 '3D CBCA(CO)NH' . . . 19724 1 7 '3D CBCANH' . . . 19724 1 8 '3D 1H-15N NOESY' . . . 19724 1 9 '3D HNHA' . . . 19724 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 19724 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 . 2 2 3 3 GLY H H 1 8.505 0.020 . 1 . . . . 3 GLY H . 19724 1 2 . 2 2 3 3 GLY HA2 H 1 4.128 0.020 . 1 . . . . 3 GLY HA2 . 19724 1 3 . 2 2 3 3 GLY HA3 H 1 4.128 0.020 . 1 . . . . 3 GLY HA3 . 19724 1 4 . 2 2 3 3 GLY CA C 13 44.978 0.3 . 1 . . . . 3 GLY CA . 19724 1 5 . 2 2 3 3 GLY N N 15 108.783 0.3 . 1 . . . . 3 GLY N . 19724 1 6 . 2 2 4 4 VAL H H 1 8.333 0.020 . 1 . . . . 4 VAL H . 19724 1 7 . 2 2 4 4 VAL HA H 1 3.810 0.020 . 1 . . . . 4 VAL HA . 19724 1 8 . 2 2 4 4 VAL HB H 1 2.097 0.020 . 1 . . . . 4 VAL HB . 19724 1 9 . 2 2 4 4 VAL CA C 13 65.214 0.3 . 1 . . . . 4 VAL CA . 19724 1 10 . 2 2 4 4 VAL N N 15 119.355 0.3 . 1 . . . . 4 VAL N . 19724 1 11 . 2 2 5 5 ASP H H 1 8.429 0.020 . 1 . . . . 5 ASP H . 19724 1 12 . 2 2 5 5 ASP HA H 1 4.387 0.020 . 1 . . . . 5 ASP HA . 19724 1 13 . 2 2 5 5 ASP HB2 H 1 2.589 0.020 . 2 . . . . 5 ASP HB2 . 19724 1 14 . 2 2 5 5 ASP HB3 H 1 2.681 0.020 . 2 . . . . 5 ASP HB3 . 19724 1 15 . 2 2 5 5 ASP CA C 13 56.985 0.3 . 1 . . . . 5 ASP CA . 19724 1 16 . 2 2 5 5 ASP N N 15 120.329 0.3 . 1 . . . . 5 ASP N . 19724 1 17 . 2 2 6 6 GLU H H 1 8.312 0.020 . 1 . . . . 6 GLU H . 19724 1 18 . 2 2 6 6 GLU HA H 1 4.107 0.020 . 1 . . . . 6 GLU HA . 19724 1 19 . 2 2 6 6 GLU CA C 13 59.450 0.3 . 1 . . . . 6 GLU CA . 19724 1 20 . 2 2 6 6 GLU N N 15 121.386 0.3 . 1 . . . . 6 GLU N . 19724 1 21 . 2 2 7 7 LEU H H 1 8.036 0.020 . 1 . . . . 7 LEU H . 19724 1 22 . 2 2 7 7 LEU HA H 1 4.262 0.020 . 1 . . . . 7 LEU HA . 19724 1 23 . 2 2 7 7 LEU CA C 13 57.559 0.3 . 1 . . . . 7 LEU CA . 19724 1 24 . 2 2 7 7 LEU N N 15 122.115 0.3 . 1 . . . . 7 LEU N . 19724 1 25 . 2 2 8 8 GLN H H 1 8.668 0.020 . 1 . . . . 8 GLN H . 19724 1 26 . 2 2 8 8 GLN HA H 1 3.809 0.020 . 1 . . . . 8 GLN HA . 19724 1 27 . 2 2 8 8 GLN CA C 13 58.390 0.3 . 1 . . . . 8 GLN CA . 19724 1 28 . 2 2 8 8 GLN N N 15 119.206 0.3 . 1 . . . . 8 GLN N . 19724 1 29 . 2 2 9 9 ALA H H 1 7.729 0.020 . 1 . . . . 9 ALA H . 19724 1 30 . 2 2 9 9 ALA HA H 1 4.240 0.020 . 1 . . . . 9 ALA HA . 19724 1 31 . 2 2 9 9 ALA HB1 H 1 1.503 0.020 . 1 . . . . 9 ALA HB . 19724 1 32 . 2 2 9 9 ALA HB2 H 1 1.503 0.020 . 1 . . . . 9 ALA HB . 19724 1 33 . 2 2 9 9 ALA HB3 H 1 1.503 0.020 . 1 . . . . 9 ALA HB . 19724 1 34 . 2 2 9 9 ALA CA C 13 54.905 0.3 . 1 . . . . 9 ALA CA . 19724 1 35 . 2 2 9 9 ALA N N 15 119.938 0.3 . 1 . . . . 9 ALA N . 19724 1 36 . 2 2 10 10 GLU H H 1 7.733 0.020 . 1 . . . . 10 GLU H . 19724 1 37 . 2 2 10 10 GLU HA H 1 4.079 0.020 . 1 . . . . 10 GLU HA . 19724 1 38 . 2 2 10 10 GLU CA C 13 59.623 0.3 . 1 . . . . 10 GLU CA . 19724 1 39 . 2 2 10 10 GLU N N 15 121.029 0.3 . 1 . . . . 10 GLU N . 19724 1 40 . 2 2 11 11 VAL H H 1 8.417 0.020 . 1 . . . . 11 VAL H . 19724 1 41 . 2 2 11 11 VAL HA H 1 3.389 0.020 . 1 . . . . 11 VAL HA . 19724 1 42 . 2 2 11 11 VAL HB H 1 2.218 0.020 . 1 . . . . 11 VAL HB . 19724 1 43 . 2 2 11 11 VAL N N 15 120.244 0.3 . 1 . . . . 11 VAL N . 19724 1 44 . 2 2 12 12 ASP H H 1 8.525 0.020 . 1 . . . . 12 ASP H . 19724 1 45 . 2 2 12 12 ASP HA H 1 4.314 0.020 . 1 . . . . 12 ASP HA . 19724 1 46 . 2 2 12 12 ASP HB2 H 1 2.748 0.020 . 1 . . . . 12 ASP HB2 . 19724 1 47 . 2 2 12 12 ASP HB3 H 1 2.748 0.020 . 1 . . . . 12 ASP HB3 . 19724 1 48 . 2 2 12 12 ASP CA C 13 57.989 0.3 . 1 . . . . 12 ASP CA . 19724 1 49 . 2 2 12 12 ASP N N 15 120.061 0.3 . 1 . . . . 12 ASP N . 19724 1 50 . 2 2 13 13 GLN H H 1 7.892 0.020 . 1 . . . . 13 GLN H . 19724 1 51 . 2 2 13 13 GLN HA H 1 4.175 0.020 . 1 . . . . 13 GLN HA . 19724 1 52 . 2 2 13 13 GLN CA C 13 58.935 0.3 . 1 . . . . 13 GLN CA . 19724 1 53 . 2 2 13 13 GLN N N 15 120.024 0.3 . 1 . . . . 13 GLN N . 19724 1 54 . 2 2 14 14 LEU H H 1 8.630 0.020 . 1 . . . . 14 LEU H . 19724 1 55 . 2 2 14 14 LEU HA H 1 4.065 0.020 . 1 . . . . 14 LEU HA . 19724 1 56 . 2 2 14 14 LEU CA C 13 57.931 0.3 . 1 . . . . 14 LEU CA . 19724 1 57 . 2 2 14 14 LEU N N 15 120.970 0.3 . 1 . . . . 14 LEU N . 19724 1 58 . 2 2 15 15 GLN H H 1 9.197 0.020 . 1 . . . . 15 GLN H . 19724 1 59 . 2 2 15 15 GLN HA H 1 3.990 0.020 . 1 . . . . 15 GLN HA . 19724 1 60 . 2 2 15 15 GLN CA C 13 58.849 0.3 . 1 . . . . 15 GLN CA . 19724 1 61 . 2 2 15 15 GLN N N 15 121.639 0.3 . 1 . . . . 15 GLN N . 19724 1 62 . 2 2 16 16 ASP H H 1 7.955 0.020 . 1 . . . . 16 ASP H . 19724 1 63 . 2 2 16 16 ASP HA H 1 4.609 0.020 . 1 . . . . 16 ASP HA . 19724 1 64 . 2 2 16 16 ASP HB2 H 1 2.780 0.020 . 2 . . . . 16 ASP HB2 . 19724 1 65 . 2 2 16 16 ASP HB3 H 1 2.940 0.020 . 2 . . . . 16 ASP HB3 . 19724 1 66 . 2 2 16 16 ASP CA C 13 57.702 0.3 . 1 . . . . 16 ASP CA . 19724 1 67 . 2 2 16 16 ASP N N 15 122.211 0.3 . 1 . . . . 16 ASP N . 19724 1 68 . 2 2 17 17 GLU H H 1 8.316 0.020 . 1 . . . . 17 GLU H . 19724 1 69 . 2 2 17 17 GLU HA H 1 4.162 0.020 . 1 . . . . 17 GLU HA . 19724 1 70 . 2 2 17 17 GLU N N 15 122.026 0.3 . 1 . . . . 17 GLU N . 19724 1 71 . 2 2 18 18 ASN H H 1 8.553 0.020 . 1 . . . . 18 ASN H . 19724 1 72 . 2 2 18 18 ASN HA H 1 4.284 0.020 . 1 . . . . 18 ASN HA . 19724 1 73 . 2 2 18 18 ASN HB2 H 1 2.821 0.020 . 2 . . . . 18 ASN HB2 . 19724 1 74 . 2 2 18 18 ASN HB3 H 1 3.408 0.020 . 2 . . . . 18 ASN HB3 . 19724 1 75 . 2 2 18 18 ASN CA C 13 57.989 0.3 . 1 . . . . 18 ASN CA . 19724 1 76 . 2 2 18 18 ASN N N 15 120.286 0.3 . 1 . . . . 18 ASN N . 19724 1 77 . 2 2 19 19 TYR H H 1 8.193 0.020 . 1 . . . . 19 TYR H . 19724 1 78 . 2 2 19 19 TYR HA H 1 4.253 0.020 . 1 . . . . 19 TYR HA . 19724 1 79 . 2 2 19 19 TYR HB2 H 1 3.225 0.020 . 2 . . . . 19 TYR HB2 . 19724 1 80 . 2 2 19 19 TYR HB3 H 1 3.290 0.020 . 2 . . . . 19 TYR HB3 . 19724 1 81 . 2 2 19 19 TYR HD1 H 1 7.231 0.020 . 1 . . . . 19 TYR HD1 . 19724 1 82 . 2 2 19 19 TYR HD2 H 1 7.231 0.020 . 1 . . . . 19 TYR HD2 . 19724 1 83 . 2 2 19 19 TYR CA C 13 60.918 0.3 . 1 . . . . 19 TYR CA . 19724 1 84 . 2 2 19 19 TYR N N 15 118.302 0.3 . 1 . . . . 19 TYR N . 19724 1 85 . 2 2 20 20 ALA H H 1 8.125 0.020 . 1 . . . . 20 ALA H . 19724 1 86 . 2 2 20 20 ALA HA H 1 4.118 0.020 . 1 . . . . 20 ALA HA . 19724 1 87 . 2 2 20 20 ALA HB1 H 1 1.591 0.020 . 1 . . . . 20 ALA HB . 19724 1 88 . 2 2 20 20 ALA HB2 H 1 1.591 0.020 . 1 . . . . 20 ALA HB . 19724 1 89 . 2 2 20 20 ALA HB3 H 1 1.591 0.020 . 1 . . . . 20 ALA HB . 19724 1 90 . 2 2 20 20 ALA N N 15 123.546 0.3 . 1 . . . . 20 ALA N . 19724 1 91 . 2 2 21 21 LEU H H 1 8.756 0.020 . 1 . . . . 21 LEU H . 19724 1 92 . 2 2 21 21 LEU HA H 1 4.002 0.020 . 1 . . . . 21 LEU HA . 19724 1 93 . 2 2 21 21 LEU CA C 13 58.074 0.3 . 1 . . . . 21 LEU CA . 19724 1 94 . 2 2 21 21 LEU N N 15 121.040 0.3 . 1 . . . . 21 LEU N . 19724 1 95 . 2 2 22 22 LYS H H 1 8.541 0.020 . 1 . . . . 22 LYS H . 19724 1 96 . 2 2 22 22 LYS CA C 13 60.801 0.3 . 1 . . . . 22 LYS CA . 19724 1 97 . 2 2 22 22 LYS N N 15 119.500 0.3 . 1 . . . . 22 LYS N . 19724 1 98 . 2 2 23 23 THR H H 1 8.021 0.020 . 1 . . . . 23 THR H . 19724 1 99 . 2 2 23 23 THR HA H 1 3.897 0.020 . 1 . . . . 23 THR HA . 19724 1 100 . 2 2 23 23 THR HG21 H 1 1.156 0.020 . 1 . . . . 23 THR HG2 . 19724 1 101 . 2 2 23 23 THR HG22 H 1 1.156 0.020 . 1 . . . . 23 THR HG2 . 19724 1 102 . 2 2 23 23 THR HG23 H 1 1.156 0.020 . 1 . . . . 23 THR HG2 . 19724 1 103 . 2 2 23 23 THR CA C 13 66.579 0.3 . 1 . . . . 23 THR CA . 19724 1 104 . 2 2 23 23 THR N N 15 117.249 0.3 . 1 . . . . 23 THR N . 19724 1 105 . 2 2 24 24 LYS H H 1 7.920 0.020 . 1 . . . . 24 LYS H . 19724 1 106 . 2 2 24 24 LYS HA H 1 4.100 0.020 . 1 . . . . 24 LYS HA . 19724 1 107 . 2 2 24 24 LYS CA C 13 59.566 0.3 . 1 . . . . 24 LYS CA . 19724 1 108 . 2 2 24 24 LYS N N 15 123.542 0.3 . 1 . . . . 24 LYS N . 19724 1 109 . 2 2 25 25 VAL H H 1 8.656 0.020 . 1 . . . . 25 VAL H . 19724 1 110 . 2 2 25 25 VAL HA H 1 3.427 0.020 . 1 . . . . 25 VAL HA . 19724 1 111 . 2 2 25 25 VAL HB H 1 2.074 0.020 . 1 . . . . 25 VAL HB . 19724 1 112 . 2 2 25 25 VAL CA C 13 67.427 0.3 . 1 . . . . 25 VAL CA . 19724 1 113 . 2 2 25 25 VAL N N 15 118.997 0.3 . 1 . . . . 25 VAL N . 19724 1 114 . 2 2 26 26 ALA H H 1 7.784 0.020 . 1 . . . . 26 ALA H . 19724 1 115 . 2 2 26 26 ALA HA H 1 4.037 0.020 . 1 . . . . 26 ALA HA . 19724 1 116 . 2 2 26 26 ALA HB1 H 1 1.525 0.020 . 1 . . . . 26 ALA HB . 19724 1 117 . 2 2 26 26 ALA HB2 H 1 1.525 0.020 . 1 . . . . 26 ALA HB . 19724 1 118 . 2 2 26 26 ALA HB3 H 1 1.525 0.020 . 1 . . . . 26 ALA HB . 19724 1 119 . 2 2 26 26 ALA CA C 13 55.494 0.3 . 1 . . . . 26 ALA CA . 19724 1 120 . 2 2 26 26 ALA N N 15 120.869 0.3 . 1 . . . . 26 ALA N . 19724 1 121 . 2 2 27 27 GLN H H 1 8.162 0.020 . 1 . . . . 27 GLN H . 19724 1 122 . 2 2 27 27 GLN HA H 1 4.031 0.020 . 1 . . . . 27 GLN HA . 19724 1 123 . 2 2 27 27 GLN CA C 13 58.750 0.3 . 1 . . . . 27 GLN CA . 19724 1 124 . 2 2 27 27 GLN N N 15 117.698 0.3 . 1 . . . . 27 GLN N . 19724 1 125 . 2 2 28 28 LEU H H 1 8.562 0.020 . 1 . . . . 28 LEU H . 19724 1 126 . 2 2 28 28 LEU N N 15 121.757 0.3 . 1 . . . . 28 LEU N . 19724 1 127 . 2 2 29 29 ARG H H 1 9.002 0.020 . 1 . . . . 29 ARG H . 19724 1 128 . 2 2 29 29 ARG HA H 1 3.865 0.020 . 1 . . . . 29 ARG HA . 19724 1 129 . 2 2 29 29 ARG CA C 13 60.426 0.3 . 1 . . . . 29 ARG CA . 19724 1 130 . 2 2 29 29 ARG N N 15 119.783 0.3 . 1 . . . . 29 ARG N . 19724 1 131 . 2 2 30 30 LYS H H 1 7.532 0.020 . 1 . . . . 30 LYS H . 19724 1 132 . 2 2 30 30 LYS HA H 1 4.098 0.020 . 1 . . . . 30 LYS HA . 19724 1 133 . 2 2 30 30 LYS CA C 13 58.792 0.3 . 1 . . . . 30 LYS CA . 19724 1 134 . 2 2 30 30 LYS N N 15 118.757 0.3 . 1 . . . . 30 LYS N . 19724 1 135 . 2 2 31 31 LYS H H 1 7.721 0.020 . 1 . . . . 31 LYS H . 19724 1 136 . 2 2 31 31 LYS N N 15 120.869 0.3 . 1 . . . . 31 LYS N . 19724 1 137 . 2 2 32 32 VAL H H 1 8.383 0.020 . 1 . . . . 32 VAL H . 19724 1 138 . 2 2 32 32 VAL HA H 1 3.381 0.020 . 1 . . . . 32 VAL HA . 19724 1 139 . 2 2 32 32 VAL CA C 13 67.537 0.3 . 1 . . . . 32 VAL CA . 19724 1 140 . 2 2 32 32 VAL N N 15 118.783 0.3 . 1 . . . . 32 VAL N . 19724 1 141 . 2 2 33 33 GLU H H 1 8.089 0.020 . 1 . . . . 33 GLU H . 19724 1 142 . 2 2 33 33 GLU N N 15 121.180 0.3 . 1 . . . . 33 GLU N . 19724 1 143 . 2 2 34 34 LYS H H 1 7.993 0.020 . 1 . . . . 34 LYS H . 19724 1 144 . 2 2 34 34 LYS CA C 13 58.799 0.3 . 1 . . . . 34 LYS CA . 19724 1 145 . 2 2 34 34 LYS N N 15 119.596 0.3 . 1 . . . . 34 LYS N . 19724 1 146 . 2 2 35 35 LEU H H 1 8.205 0.020 . 1 . . . . 35 LEU H . 19724 1 147 . 2 2 35 35 LEU HA H 1 4.229 0.020 . 1 . . . . 35 LEU HA . 19724 1 148 . 2 2 35 35 LEU CA C 13 56.469 0.3 . 1 . . . . 35 LEU CA . 19724 1 149 . 2 2 35 35 LEU N N 15 118.500 0.3 . 1 . . . . 35 LEU N . 19724 1 150 . 2 2 36 36 SER H H 1 8.039 0.020 . 1 . . . . 36 SER H . 19724 1 151 . 2 2 36 36 SER HA H 1 4.440 0.020 . 1 . . . . 36 SER HA . 19724 1 152 . 2 2 36 36 SER CA C 13 59.702 0.3 . 1 . . . . 36 SER CA . 19724 1 153 . 2 2 36 36 SER N N 15 113.611 0.3 . 1 . . . . 36 SER N . 19724 1 154 . 2 2 37 37 GLY H H 1 7.887 0.020 . 1 . . . . 37 GLY H . 19724 1 155 . 2 2 37 37 GLY HA2 H 1 4.051 0.020 . 1 . . . . 37 GLY HA2 . 19724 1 156 . 2 2 37 37 GLY HA3 H 1 4.051 0.020 . 1 . . . . 37 GLY HA3 . 19724 1 157 . 2 2 37 37 GLY CA C 13 45.673 0.3 . 1 . . . . 37 GLY CA . 19724 1 158 . 2 2 37 37 GLY N N 15 109.347 0.3 . 1 . . . . 37 GLY N . 19724 1 159 . 2 2 38 38 GLY H H 1 8.225 0.020 . 1 . . . . 38 GLY H . 19724 1 160 . 2 2 38 38 GLY HA2 H 1 3.978 0.020 . 1 . . . . 38 GLY HA2 . 19724 1 161 . 2 2 38 38 GLY CA C 13 45.348 0.3 . 1 . . . . 38 GLY CA . 19724 1 162 . 2 2 38 38 GLY N N 15 108.481 0.3 . 1 . . . . 38 GLY N . 19724 1 163 . 2 2 39 39 ASP H H 1 8.370 0.020 . 1 . . . . 39 ASP H . 19724 1 164 . 2 2 39 39 ASP HA H 1 4.601 0.020 . 1 . . . . 39 ASP HA . 19724 1 165 . 2 2 39 39 ASP HB2 H 1 2.615 0.020 . 2 . . . . 39 ASP HB2 . 19724 1 166 . 2 2 39 39 ASP HB3 H 1 2.666 0.020 . 2 . . . . 39 ASP HB3 . 19724 1 167 . 2 2 39 39 ASP CA C 13 54.269 0.3 . 1 . . . . 39 ASP CA . 19724 1 168 . 2 2 39 39 ASP CB C 13 41.196 0.3 . 1 . . . . 39 ASP CB . 19724 1 169 . 2 2 39 39 ASP N N 15 120.377 0.3 . 1 . . . . 39 ASP N . 19724 1 170 . 2 2 40 40 LYS H H 1 8.273 0.020 . 1 . . . . 40 LYS H . 19724 1 171 . 2 2 40 40 LYS HA H 1 4.307 0.020 . 1 . . . . 40 LYS HA . 19724 1 172 . 2 2 40 40 LYS HB2 H 1 1.767 0.020 . 1 . . . . 40 LYS HB2 . 19724 1 173 . 2 2 40 40 LYS CA C 13 56.255 0.3 . 1 . . . . 40 LYS CA . 19724 1 174 . 2 2 40 40 LYS CB C 13 32.895 0.3 . 1 . . . . 40 LYS CB . 19724 1 175 . 2 2 40 40 LYS N N 15 121.409 0.3 . 1 . . . . 40 LYS N . 19724 1 176 . 2 2 41 41 ASP H H 1 8.372 0.020 . 1 . . . . 41 ASP H . 19724 1 177 . 2 2 41 41 ASP HA H 1 4.615 0.020 . 1 . . . . 41 ASP HA . 19724 1 178 . 2 2 41 41 ASP CA C 13 54.299 0.3 . 1 . . . . 41 ASP CA . 19724 1 179 . 2 2 41 41 ASP CB C 13 41.158 0.3 . 1 . . . . 41 ASP CB . 19724 1 180 . 2 2 41 41 ASP N N 15 121.436 0.3 . 1 . . . . 41 ASP N . 19724 1 181 . 2 2 42 42 ASP H H 1 8.375 0.020 . 1 . . . . 42 ASP H . 19724 1 182 . 2 2 42 42 ASP HA H 1 4.615 0.020 . 1 . . . . 42 ASP HA . 19724 1 183 . 2 2 42 42 ASP HB2 H 1 2.669 0.020 . 1 . . . . 42 ASP HB2 . 19724 1 184 . 2 2 42 42 ASP CA C 13 54.423 0.3 . 1 . . . . 42 ASP CA . 19724 1 185 . 2 2 42 42 ASP CB C 13 40.998 0.3 . 1 . . . . 42 ASP CB . 19724 1 186 . 2 2 42 42 ASP N N 15 122.200 0.3 . 1 . . . . 42 ASP N . 19724 1 187 . 2 2 43 43 SER H H 1 8.359 0.020 . 1 . . . . 43 SER H . 19724 1 188 . 2 2 43 43 SER HA H 1 4.336 0.020 . 1 . . . . 43 SER HA . 19724 1 189 . 2 2 43 43 SER HB2 H 1 3.902 0.020 . 1 . . . . 43 SER HB2 . 19724 1 190 . 2 2 43 43 SER HB3 H 1 3.902 0.020 . 1 . . . . 43 SER HB3 . 19724 1 191 . 2 2 43 43 SER CA C 13 59.329 0.3 . 1 . . . . 43 SER CA . 19724 1 192 . 2 2 43 43 SER CB C 13 63.585 0.3 . 1 . . . . 43 SER CB . 19724 1 193 . 2 2 43 43 SER N N 15 116.446 0.3 . 1 . . . . 43 SER N . 19724 1 194 . 2 2 44 44 LYS H H 1 8.210 0.020 . 1 . . . . 44 LYS H . 19724 1 195 . 2 2 44 44 LYS HA H 1 4.324 0.020 . 1 . . . . 44 LYS HA . 19724 1 196 . 2 2 44 44 LYS HB2 H 1 1.747 0.020 . 2 . . . . 44 LYS HB2 . 19724 1 197 . 2 2 44 44 LYS HB3 H 1 1.879 0.020 . 2 . . . . 44 LYS HB3 . 19724 1 198 . 2 2 44 44 LYS CA C 13 56.129 0.3 . 1 . . . . 44 LYS CA . 19724 1 199 . 2 2 44 44 LYS CB C 13 32.575 0.3 . 1 . . . . 44 LYS CB . 19724 1 200 . 2 2 44 44 LYS N N 15 122.542 0.3 . 1 . . . . 44 LYS N . 19724 1 201 . 2 2 45 45 ALA H H 1 8.122 0.020 . 1 . . . . 45 ALA H . 19724 1 202 . 2 2 45 45 ALA HA H 1 4.266 0.020 . 1 . . . . 45 ALA HA . 19724 1 203 . 2 2 45 45 ALA HB1 H 1 1.377 0.020 . 1 . . . . 45 ALA HB . 19724 1 204 . 2 2 45 45 ALA HB2 H 1 1.377 0.020 . 1 . . . . 45 ALA HB . 19724 1 205 . 2 2 45 45 ALA HB3 H 1 1.377 0.020 . 1 . . . . 45 ALA HB . 19724 1 206 . 2 2 45 45 ALA CA C 13 52.928 0.3 . 1 . . . . 45 ALA CA . 19724 1 207 . 2 2 45 45 ALA CB C 13 19.000 0.3 . 1 . . . . 45 ALA CB . 19724 1 208 . 2 2 45 45 ALA N N 15 124.553 0.3 . 1 . . . . 45 ALA N . 19724 1 209 . 2 2 46 46 GLY H H 1 8.460 0.020 . 1 . . . . 46 GLY H . 19724 1 210 . 2 2 46 46 GLY HA2 H 1 3.939 0.020 . 1 . . . . 46 GLY HA2 . 19724 1 211 . 2 2 46 46 GLY HA3 H 1 3.939 0.020 . 1 . . . . 46 GLY HA3 . 19724 1 212 . 2 2 46 46 GLY CA C 13 45.409 0.3 . 1 . . . . 46 GLY CA . 19724 1 213 . 2 2 46 46 GLY N N 15 108.411 0.3 . 1 . . . . 46 GLY N . 19724 1 214 . 2 2 47 47 MET H H 1 8.136 0.020 . 1 . . . . 47 MET H . 19724 1 215 . 2 2 47 47 MET HA H 1 4.478 0.020 . 1 . . . . 47 MET HA . 19724 1 216 . 2 2 47 47 MET CA C 13 55.461 0.3 . 1 . . . . 47 MET CA . 19724 1 217 . 2 2 47 47 MET CB C 13 32.900 0.3 . 1 . . . . 47 MET CB . 19724 1 218 . 2 2 47 47 MET N N 15 119.537 0.3 . 1 . . . . 47 MET N . 19724 1 219 . 2 2 48 48 GLU H H 1 8.549 0.020 . 1 . . . . 48 GLU H . 19724 1 220 . 2 2 48 48 GLU HA H 1 4.257 0.020 . 1 . . . . 48 GLU HA . 19724 1 221 . 2 2 48 48 GLU CA C 13 56.756 0.3 . 1 . . . . 48 GLU CA . 19724 1 222 . 2 2 48 48 GLU CB C 13 30.156 0.3 . 1 . . . . 48 GLU CB . 19724 1 223 . 2 2 48 48 GLU N N 15 121.895 0.3 . 1 . . . . 48 GLU N . 19724 1 224 . 2 2 49 49 GLU H H 1 8.417 0.020 . 1 . . . . 49 GLU H . 19724 1 225 . 2 2 49 49 GLU HA H 1 4.214 0.020 . 1 . . . . 49 GLU HA . 19724 1 226 . 2 2 49 49 GLU CA C 13 56.413 0.3 . 1 . . . . 49 GLU CA . 19724 1 227 . 2 2 49 49 GLU CB C 13 30.385 0.3 . 1 . . . . 49 GLU CB . 19724 1 228 . 2 2 49 49 GLU N N 15 121.708 0.3 . 1 . . . . 49 GLU N . 19724 1 229 . 2 2 50 50 ASP H H 1 8.341 0.020 . 1 . . . . 50 ASP H . 19724 1 230 . 2 2 50 50 ASP HA H 1 4.540 0.020 . 1 . . . . 50 ASP HA . 19724 1 231 . 2 2 50 50 ASP HB2 H 1 2.603 0.020 . 1 . . . . 50 ASP HB2 . 19724 1 232 . 2 2 50 50 ASP HB3 H 1 2.603 0.020 . 1 . . . . 50 ASP HB3 . 19724 1 233 . 2 2 50 50 ASP CA C 13 54.184 0.3 . 1 . . . . 50 ASP CA . 19724 1 234 . 2 2 50 50 ASP CB C 13 41.229 0.3 . 1 . . . . 50 ASP CB . 19724 1 235 . 2 2 50 50 ASP N N 15 121.286 0.3 . 1 . . . . 50 ASP N . 19724 1 236 . 2 2 51 51 HIS H H 1 8.447 0.020 . 1 . . . . 51 HIS H . 19724 1 237 . 2 2 51 51 HIS HA H 1 4.701 0.020 . 1 . . . . 51 HIS HA . 19724 1 238 . 2 2 51 51 HIS CA C 13 55.525 0.3 . 1 . . . . 51 HIS CA . 19724 1 239 . 2 2 51 51 HIS CB C 13 29.371 0.3 . 1 . . . . 51 HIS CB . 19724 1 240 . 2 2 51 51 HIS N N 15 120.447 0.3 . 1 . . . . 51 HIS N . 19724 1 241 . 2 2 52 52 THR H H 1 8.224 0.020 . 1 . . . . 52 THR H . 19724 1 242 . 2 2 52 52 THR HA H 1 4.170 0.020 . 1 . . . . 52 THR HA . 19724 1 243 . 2 2 52 52 THR HB H 1 4.051 0.020 . 1 . . . . 52 THR HB . 19724 1 244 . 2 2 52 52 THR HG21 H 1 1.060 0.020 . 1 . . . . 52 THR HG2 . 19724 1 245 . 2 2 52 52 THR HG22 H 1 1.060 0.020 . 1 . . . . 52 THR HG2 . 19724 1 246 . 2 2 52 52 THR HG23 H 1 1.060 0.020 . 1 . . . . 52 THR HG2 . 19724 1 247 . 2 2 52 52 THR CA C 13 62.826 0.3 . 1 . . . . 52 THR CA . 19724 1 248 . 2 2 52 52 THR CB C 13 69.504 0.3 . 1 . . . . 52 THR CB . 19724 1 249 . 2 2 52 52 THR N N 15 115.832 0.3 . 1 . . . . 52 THR N . 19724 1 250 . 2 2 53 53 TYR H H 1 8.279 0.020 . 1 . . . . 53 TYR H . 19724 1 251 . 2 2 53 53 TYR HA H 1 4.559 0.020 . 1 . . . . 53 TYR HA . 19724 1 252 . 2 2 53 53 TYR HB2 H 1 2.921 0.020 . 2 . . . . 53 TYR HB2 . 19724 1 253 . 2 2 53 53 TYR HB3 H 1 3.054 0.020 . 2 . . . . 53 TYR HB3 . 19724 1 254 . 2 2 53 53 TYR HD1 H 1 7.094 0.020 . 1 . . . . 53 TYR HD1 . 19724 1 255 . 2 2 53 53 TYR HD2 H 1 7.094 0.020 . 1 . . . . 53 TYR HD2 . 19724 1 256 . 2 2 53 53 TYR CA C 13 57.907 0.3 . 1 . . . . 53 TYR CA . 19724 1 257 . 2 2 53 53 TYR CB C 13 38.475 0.3 . 1 . . . . 53 TYR CB . 19724 1 258 . 2 2 53 53 TYR N N 15 122.088 0.3 . 1 . . . . 53 TYR N . 19724 1 259 . 2 2 54 54 GLU H H 1 8.260 0.020 . 1 . . . . 54 GLU H . 19724 1 260 . 2 2 54 54 GLU HA H 1 4.235 0.020 . 1 . . . . 54 GLU HA . 19724 1 261 . 2 2 54 54 GLU HB2 H 1 2.021 0.020 . 2 . . . . 54 GLU HB2 . 19724 1 262 . 2 2 54 54 GLU HB3 H 1 1.891 0.020 . 2 . . . . 54 GLU HB3 . 19724 1 263 . 2 2 54 54 GLU HG2 H 1 2.185 0.020 . 1 . . . . 54 GLU HG2 . 19724 1 264 . 2 2 54 54 GLU HG3 H 1 2.185 0.020 . 1 . . . . 54 GLU HG3 . 19724 1 265 . 2 2 54 54 GLU CA C 13 56.633 0.3 . 1 . . . . 54 GLU CA . 19724 1 266 . 2 2 54 54 GLU CB C 13 30.324 0.3 . 1 . . . . 54 GLU CB . 19724 1 267 . 2 2 54 54 GLU N N 15 123.093 0.3 . 1 . . . . 54 GLU N . 19724 1 268 . 2 2 55 55 GLY H H 1 8.001 0.020 . 1 . . . . 55 GLY H . 19724 1 269 . 2 2 55 55 GLY HA2 H 1 3.887 0.020 . 1 . . . . 55 GLY HA2 . 19724 1 270 . 2 2 55 55 GLY HA3 H 1 3.887 0.020 . 1 . . . . 55 GLY HA3 . 19724 1 271 . 2 2 55 55 GLY CA C 13 45.359 0.3 . 1 . . . . 55 GLY CA . 19724 1 272 . 2 2 55 55 GLY N N 15 109.330 0.3 . 1 . . . . 55 GLY N . 19724 1 273 . 2 2 56 56 LEU H H 1 8.015 0.020 . 1 . . . . 56 LEU H . 19724 1 274 . 2 2 56 56 LEU HA H 1 4.362 0.020 . 1 . . . . 56 LEU HA . 19724 1 275 . 2 2 56 56 LEU HB2 H 1 1.566 0.020 . 1 . . . . 56 LEU HB2 . 19724 1 276 . 2 2 56 56 LEU HB3 H 1 1.566 0.020 . 1 . . . . 56 LEU HB3 . 19724 1 277 . 2 2 56 56 LEU CA C 13 54.974 0.3 . 1 . . . . 56 LEU CA . 19724 1 278 . 2 2 56 56 LEU CB C 13 42.705 0.3 . 1 . . . . 56 LEU CB . 19724 1 279 . 2 2 56 56 LEU N N 15 120.992 0.3 . 1 . . . . 56 LEU N . 19724 1 280 . 2 2 57 57 ASP H H 1 8.457 0.020 . 1 . . . . 57 ASP H . 19724 1 281 . 2 2 57 57 ASP HA H 1 4.611 0.020 . 1 . . . . 57 ASP HA . 19724 1 282 . 2 2 57 57 ASP HB2 H 1 2.572 0.020 . 2 . . . . 57 ASP HB2 . 19724 1 283 . 2 2 57 57 ASP HB3 H 1 2.697 0.020 . 2 . . . . 57 ASP HB3 . 19724 1 284 . 2 2 57 57 ASP CA C 13 54.128 0.3 . 1 . . . . 57 ASP CA . 19724 1 285 . 2 2 57 57 ASP CB C 13 40.827 0.3 . 1 . . . . 57 ASP CB . 19724 1 286 . 2 2 57 57 ASP N N 15 121.420 0.3 . 1 . . . . 57 ASP N . 19724 1 287 . 2 2 58 58 ILE H H 1 7.980 0.020 . 1 . . . . 58 ILE H . 19724 1 288 . 2 2 58 58 ILE HA H 1 4.113 0.020 . 1 . . . . 58 ILE HA . 19724 1 289 . 2 2 58 58 ILE HB H 1 1.833 0.020 . 1 . . . . 58 ILE HB . 19724 1 290 . 2 2 58 58 ILE CA C 13 61.282 0.3 . 1 . . . . 58 ILE CA . 19724 1 291 . 2 2 58 58 ILE CB C 13 38.958 0.3 . 1 . . . . 58 ILE CB . 19724 1 292 . 2 2 58 58 ILE N N 15 120.291 0.3 . 1 . . . . 58 ILE N . 19724 1 293 . 2 2 59 59 ASP H H 1 8.380 0.020 . 1 . . . . 59 ASP H . 19724 1 294 . 2 2 59 59 ASP HA H 1 4.595 0.020 . 1 . . . . 59 ASP HA . 19724 1 295 . 2 2 59 59 ASP HB2 H 1 2.610 0.020 . 2 . . . . 59 ASP HB2 . 19724 1 296 . 2 2 59 59 ASP HB3 H 1 2.719 0.020 . 2 . . . . 59 ASP HB3 . 19724 1 297 . 2 2 59 59 ASP CA C 13 54.424 0.3 . 1 . . . . 59 ASP CA . 19724 1 298 . 2 2 59 59 ASP CB C 13 40.994 0.3 . 1 . . . . 59 ASP CB . 19724 1 299 . 2 2 59 59 ASP N N 15 123.558 0.3 . 1 . . . . 59 ASP N . 19724 1 300 . 2 2 60 60 GLN H H 1 8.411 0.020 . 1 . . . . 60 GLN H . 19724 1 301 . 2 2 60 60 GLN HA H 1 4.344 0.020 . 1 . . . . 60 GLN HA . 19724 1 302 . 2 2 60 60 GLN HB2 H 1 1.968 0.020 . 2 . . . . 60 GLN HB2 . 19724 1 303 . 2 2 60 60 GLN HB3 H 1 2.192 0.020 . 2 . . . . 60 GLN HB3 . 19724 1 304 . 2 2 60 60 GLN CA C 13 56.154 0.3 . 1 . . . . 60 GLN CA . 19724 1 305 . 2 2 60 60 GLN CB C 13 29.157 0.3 . 1 . . . . 60 GLN CB . 19724 1 306 . 2 2 60 60 GLN N N 15 121.612 0.3 . 1 . . . . 60 GLN N . 19724 1 307 . 2 2 61 61 THR H H 1 8.263 0.020 . 1 . . . . 61 THR H . 19724 1 308 . 2 2 61 61 THR HA H 1 4.210 0.020 . 1 . . . . 61 THR HA . 19724 1 309 . 2 2 61 61 THR HG21 H 1 1.183 0.020 . 1 . . . . 61 THR HG2 . 19724 1 310 . 2 2 61 61 THR HG22 H 1 1.183 0.020 . 1 . . . . 61 THR HG2 . 19724 1 311 . 2 2 61 61 THR HG23 H 1 1.183 0.020 . 1 . . . . 61 THR HG2 . 19724 1 312 . 2 2 61 61 THR CA C 13 62.560 0.3 . 1 . . . . 61 THR CA . 19724 1 313 . 2 2 61 61 THR CB C 13 69.670 0.3 . 1 . . . . 61 THR CB . 19724 1 314 . 2 2 61 61 THR N N 15 114.666 0.3 . 1 . . . . 61 THR N . 19724 1 315 . 2 2 62 62 ALA H H 1 8.168 0.020 . 1 . . . . 62 ALA H . 19724 1 316 . 2 2 62 62 ALA HA H 1 4.342 0.020 . 1 . . . . 62 ALA HA . 19724 1 317 . 2 2 62 62 ALA HB1 H 1 1.325 0.020 . 1 . . . . 62 ALA HB . 19724 1 318 . 2 2 62 62 ALA HB2 H 1 1.325 0.020 . 1 . . . . 62 ALA HB . 19724 1 319 . 2 2 62 62 ALA HB3 H 1 1.325 0.020 . 1 . . . . 62 ALA HB . 19724 1 320 . 2 2 62 62 ALA CA C 13 52.546 0.3 . 1 . . . . 62 ALA CA . 19724 1 321 . 2 2 62 62 ALA CB C 13 19.259 0.3 . 1 . . . . 62 ALA CB . 19724 1 322 . 2 2 62 62 ALA N N 15 126.339 0.3 . 1 . . . . 62 ALA N . 19724 1 323 . 2 2 63 63 THR H H 1 8.064 0.020 . 1 . . . . 63 THR H . 19724 1 324 . 2 2 63 63 THR HA H 1 4.286 0.020 . 1 . . . . 63 THR HA . 19724 1 325 . 2 2 63 63 THR HG21 H 1 1.123 0.020 . 1 . . . . 63 THR HG2 . 19724 1 326 . 2 2 63 63 THR HG22 H 1 1.123 0.020 . 1 . . . . 63 THR HG2 . 19724 1 327 . 2 2 63 63 THR HG23 H 1 1.123 0.020 . 1 . . . . 63 THR HG2 . 19724 1 328 . 2 2 63 63 THR CA C 13 61.631 0.3 . 1 . . . . 63 THR CA . 19724 1 329 . 2 2 63 63 THR CB C 13 69.974 0.3 . 1 . . . . 63 THR CB . 19724 1 330 . 2 2 63 63 THR N N 15 113.164 0.3 . 1 . . . . 63 THR N . 19724 1 331 . 2 2 64 64 TYR H H 1 8.203 0.020 . 1 . . . . 64 TYR H . 19724 1 332 . 2 2 64 64 TYR HA H 1 4.525 0.020 . 1 . . . . 64 TYR HA . 19724 1 333 . 2 2 64 64 TYR HB2 H 1 2.923 0.020 . 2 . . . . 64 TYR HB2 . 19724 1 334 . 2 2 64 64 TYR HB3 H 1 3.022 0.020 . 2 . . . . 64 TYR HB3 . 19724 1 335 . 2 2 64 64 TYR CA C 13 58.155 0.3 . 1 . . . . 64 TYR CA . 19724 1 336 . 2 2 64 64 TYR CB C 13 38.713 0.3 . 1 . . . . 64 TYR CB . 19724 1 337 . 2 2 64 64 TYR N N 15 122.243 0.3 . 1 . . . . 64 TYR N . 19724 1 338 . 2 2 65 65 GLU H H 1 8.260 0.020 . 1 . . . . 65 GLU H . 19724 1 339 . 2 2 65 65 GLU HA H 1 4.187 0.020 . 1 . . . . 65 GLU HA . 19724 1 340 . 2 2 65 65 GLU CA C 13 56.745 0.3 . 1 . . . . 65 GLU CA . 19724 1 341 . 2 2 65 65 GLU CB C 13 30.436 0.3 . 1 . . . . 65 GLU CB . 19724 1 342 . 2 2 65 65 GLU N N 15 121.826 0.3 . 1 . . . . 65 GLU N . 19724 1 343 . 2 2 66 66 ASP H H 1 8.275 0.020 . 1 . . . . 66 ASP H . 19724 1 344 . 2 2 66 66 ASP HA H 1 4.547 0.020 . 1 . . . . 66 ASP HA . 19724 1 345 . 2 2 66 66 ASP CA C 13 54.432 0.3 . 1 . . . . 66 ASP CA . 19724 1 346 . 2 2 66 66 ASP CB C 13 41.130 0.3 . 1 . . . . 66 ASP CB . 19724 1 347 . 2 2 66 66 ASP N N 15 121.339 0.3 . 1 . . . . 66 ASP N . 19724 1 348 . 2 2 67 67 ILE H H 1 8.022 0.020 . 1 . . . . 67 ILE H . 19724 1 349 . 2 2 67 67 ILE HA H 1 4.100 0.020 . 1 . . . . 67 ILE HA . 19724 1 350 . 2 2 67 67 ILE HB H 1 1.867 0.020 . 1 . . . . 67 ILE HB . 19724 1 351 . 2 2 67 67 ILE CA C 13 61.646 0.3 . 1 . . . . 67 ILE CA . 19724 1 352 . 2 2 67 67 ILE CB C 13 38.476 0.3 . 1 . . . . 67 ILE CB . 19724 1 353 . 2 2 67 67 ILE N N 15 120.826 0.3 . 1 . . . . 67 ILE N . 19724 1 354 . 2 2 68 68 VAL H H 1 8.183 0.020 . 1 . . . . 68 VAL H . 19724 1 355 . 2 2 68 68 VAL HA H 1 4.032 0.020 . 1 . . . . 68 VAL HA . 19724 1 356 . 2 2 68 68 VAL HB H 1 2.044 0.020 . 1 . . . . 68 VAL HB . 19724 1 357 . 2 2 68 68 VAL HG11 H 1 0.894 0.020 . 1 . . . . 68 VAL HG1 . 19724 1 358 . 2 2 68 68 VAL HG12 H 1 0.894 0.020 . 1 . . . . 68 VAL HG1 . 19724 1 359 . 2 2 68 68 VAL HG13 H 1 0.894 0.020 . 1 . . . . 68 VAL HG1 . 19724 1 360 . 2 2 68 68 VAL HG21 H 1 0.894 0.020 . 1 . . . . 68 VAL HG2 . 19724 1 361 . 2 2 68 68 VAL HG22 H 1 0.894 0.020 . 1 . . . . 68 VAL HG2 . 19724 1 362 . 2 2 68 68 VAL HG23 H 1 0.894 0.020 . 1 . . . . 68 VAL HG2 . 19724 1 363 . 2 2 68 68 VAL CA C 13 63.247 0.3 . 1 . . . . 68 VAL CA . 19724 1 364 . 2 2 68 68 VAL CB C 13 32.363 0.3 . 1 . . . . 68 VAL CB . 19724 1 365 . 2 2 68 68 VAL N N 15 123.596 0.3 . 1 . . . . 68 VAL N . 19724 1 366 . 2 2 69 69 THR H H 1 8.133 0.020 . 1 . . . . 69 THR H . 19724 1 367 . 2 2 69 69 THR HA H 1 4.249 0.020 . 1 . . . . 69 THR HA . 19724 1 368 . 2 2 69 69 THR HB H 1 4.137 0.020 . 1 . . . . 69 THR HB . 19724 1 369 . 2 2 69 69 THR HG21 H 1 1.169 0.020 . 1 . . . . 69 THR HG2 . 19724 1 370 . 2 2 69 69 THR HG22 H 1 1.169 0.020 . 1 . . . . 69 THR HG2 . 19724 1 371 . 2 2 69 69 THR HG23 H 1 1.169 0.020 . 1 . . . . 69 THR HG2 . 19724 1 372 . 2 2 69 69 THR CA C 13 62.440 0.3 . 1 . . . . 69 THR CA . 19724 1 373 . 2 2 69 69 THR CB C 13 69.412 0.3 . 1 . . . . 69 THR CB . 19724 1 374 . 2 2 69 69 THR N N 15 117.928 0.3 . 1 . . . . 69 THR N . 19724 1 375 . 2 2 70 70 LEU H H 1 8.149 0.020 . 1 . . . . 70 LEU H . 19724 1 376 . 2 2 70 70 LEU HA H 1 4.324 0.020 . 1 . . . . 70 LEU HA . 19724 1 377 . 2 2 70 70 LEU HB2 H 1 1.620 0.020 . 2 . . . . 70 LEU HB2 . 19724 1 378 . 2 2 70 70 LEU HB3 H 1 1.567 0.020 . 2 . . . . 70 LEU HB3 . 19724 1 379 . 2 2 70 70 LEU CA C 13 55.401 0.3 . 1 . . . . 70 LEU CA . 19724 1 380 . 2 2 70 70 LEU CB C 13 42.332 0.3 . 1 . . . . 70 LEU CB . 19724 1 381 . 2 2 70 70 LEU N N 15 124.494 0.3 . 1 . . . . 70 LEU N . 19724 1 382 . 2 2 71 71 ARG H H 1 8.364 0.020 . 1 . . . . 71 ARG H . 19724 1 383 . 2 2 71 71 ARG HA H 1 4.374 0.020 . 1 . . . . 71 ARG HA . 19724 1 384 . 2 2 71 71 ARG CA C 13 56.168 0.3 . 1 . . . . 71 ARG CA . 19724 1 385 . 2 2 71 71 ARG CB C 13 30.512 0.3 . 1 . . . . 71 ARG CB . 19724 1 386 . 2 2 71 71 ARG N N 15 121.853 0.3 . 1 . . . . 71 ARG N . 19724 1 387 . 2 2 72 72 THR H H 1 8.120 0.020 . 1 . . . . 72 THR H . 19724 1 388 . 2 2 72 72 THR HA H 1 4.273 0.020 . 1 . . . . 72 THR HA . 19724 1 389 . 2 2 72 72 THR HG21 H 1 1.187 0.020 . 1 . . . . 72 THR HG2 . 19724 1 390 . 2 2 72 72 THR HG22 H 1 1.187 0.020 . 1 . . . . 72 THR HG2 . 19724 1 391 . 2 2 72 72 THR HG23 H 1 1.187 0.020 . 1 . . . . 72 THR HG2 . 19724 1 392 . 2 2 72 72 THR CA C 13 62.265 0.3 . 1 . . . . 72 THR CA . 19724 1 393 . 2 2 72 72 THR CB C 13 69.732 0.3 . 1 . . . . 72 THR CB . 19724 1 394 . 2 2 72 72 THR N N 15 114.564 0.3 . 1 . . . . 72 THR N . 19724 1 395 . 2 2 73 73 GLY H H 1 8.419 0.020 . 1 . . . . 73 GLY H . 19724 1 396 . 2 2 73 73 GLY HA2 H 1 3.948 0.020 . 1 . . . . 73 GLY HA2 . 19724 1 397 . 2 2 73 73 GLY HA3 H 1 3.948 0.020 . 1 . . . . 73 GLY HA3 . 19724 1 398 . 2 2 73 73 GLY CA C 13 45.264 0.3 . 1 . . . . 73 GLY CA . 19724 1 399 . 2 2 73 73 GLY N N 15 111.050 0.3 . 1 . . . . 73 GLY N . 19724 1 400 . 2 2 74 74 GLU H H 1 8.168 0.020 . 1 . . . . 74 GLU H . 19724 1 401 . 2 2 74 74 GLU HA H 1 4.258 0.020 . 1 . . . . 74 GLU HA . 19724 1 402 . 2 2 74 74 GLU HB2 H 1 1.883 0.020 . 2 . . . . 74 GLU HB2 . 19724 1 403 . 2 2 74 74 GLU HB3 H 1 1.985 0.020 . 2 . . . . 74 GLU HB3 . 19724 1 404 . 2 2 74 74 GLU HG2 H 1 2.184 0.020 . 1 . . . . 74 GLU HG2 . 19724 1 405 . 2 2 74 74 GLU CA C 13 56.397 0.3 . 1 . . . . 74 GLU CA . 19724 1 406 . 2 2 74 74 GLU CB C 13 30.442 0.3 . 1 . . . . 74 GLU CB . 19724 1 407 . 2 2 74 74 GLU N N 15 120.682 0.3 . 1 . . . . 74 GLU N . 19724 1 408 . 2 2 75 75 VAL H H 1 8.198 0.020 . 1 . . . . 75 VAL H . 19724 1 409 . 2 2 75 75 VAL HA H 1 3.985 0.020 . 1 . . . . 75 VAL HA . 19724 1 410 . 2 2 75 75 VAL HG11 H 1 0.835 0.020 . 1 . . . . 75 VAL HG1 . 19724 1 411 . 2 2 75 75 VAL HG12 H 1 0.835 0.020 . 1 . . . . 75 VAL HG1 . 19724 1 412 . 2 2 75 75 VAL HG13 H 1 0.835 0.020 . 1 . . . . 75 VAL HG1 . 19724 1 413 . 2 2 75 75 VAL HG21 H 1 0.835 0.020 . 1 . . . . 75 VAL HG2 . 19724 1 414 . 2 2 75 75 VAL HG22 H 1 0.835 0.020 . 1 . . . . 75 VAL HG2 . 19724 1 415 . 2 2 75 75 VAL HG23 H 1 0.835 0.020 . 1 . . . . 75 VAL HG2 . 19724 1 416 . 2 2 75 75 VAL CA C 13 62.276 0.3 . 1 . . . . 75 VAL CA . 19724 1 417 . 2 2 75 75 VAL CB C 13 32.606 0.3 . 1 . . . . 75 VAL CB . 19724 1 418 . 2 2 75 75 VAL N N 15 121.976 0.3 . 1 . . . . 75 VAL N . 19724 1 419 . 2 2 76 76 LYS H H 1 8.295 0.020 . 1 . . . . 76 LYS H . 19724 1 420 . 2 2 76 76 LYS HA H 1 4.266 0.020 . 1 . . . . 76 LYS HA . 19724 1 421 . 2 2 76 76 LYS HB2 H 1 1.640 0.020 . 1 . . . . 76 LYS HB2 . 19724 1 422 . 2 2 76 76 LYS HB3 H 1 1.640 0.020 . 1 . . . . 76 LYS HB3 . 19724 1 423 . 2 2 76 76 LYS HG2 H 1 1.272 0.020 . 1 . . . . 76 LYS HG2 . 19724 1 424 . 2 2 76 76 LYS HG3 H 1 1.272 0.020 . 1 . . . . 76 LYS HG3 . 19724 1 425 . 2 2 76 76 LYS CA C 13 55.989 0.3 . 1 . . . . 76 LYS CA . 19724 1 426 . 2 2 76 76 LYS CB C 13 32.857 0.3 . 1 . . . . 76 LYS CB . 19724 1 427 . 2 2 76 76 LYS N N 15 125.398 0.3 . 1 . . . . 76 LYS N . 19724 1 428 . 2 2 77 77 TRP H H 1 8.083 0.020 . 1 . . . . 77 TRP H . 19724 1 429 . 2 2 77 77 TRP HA H 1 4.686 0.020 . 1 . . . . 77 TRP HA . 19724 1 430 . 2 2 77 77 TRP HB2 H 1 3.175 0.020 . 2 . . . . 77 TRP HB2 . 19724 1 431 . 2 2 77 77 TRP HB3 H 1 3.276 0.020 . 2 . . . . 77 TRP HB3 . 19724 1 432 . 2 2 77 77 TRP CA C 13 56.971 0.3 . 1 . . . . 77 TRP CA . 19724 1 433 . 2 2 77 77 TRP CB C 13 29.850 0.3 . 1 . . . . 77 TRP CB . 19724 1 434 . 2 2 77 77 TRP N N 15 122.521 0.3 . 1 . . . . 77 TRP N . 19724 1 435 . 2 2 78 78 SER H H 1 8.223 0.020 . 1 . . . . 78 SER H . 19724 1 436 . 2 2 78 78 SER HA H 1 4.420 0.020 . 1 . . . . 78 SER HA . 19724 1 437 . 2 2 78 78 SER HB2 H 1 3.744 0.020 . 1 . . . . 78 SER HB2 . 19724 1 438 . 2 2 78 78 SER HB3 H 1 3.744 0.020 . 1 . . . . 78 SER HB3 . 19724 1 439 . 2 2 78 78 SER CA C 13 57.937 0.3 . 1 . . . . 78 SER CA . 19724 1 440 . 2 2 78 78 SER CB C 13 63.936 0.3 . 1 . . . . 78 SER CB . 19724 1 441 . 2 2 78 78 SER N N 15 117.805 0.3 . 1 . . . . 78 SER N . 19724 1 442 . 2 2 79 79 VAL H H 1 8.105 0.020 . 1 . . . . 79 VAL H . 19724 1 443 . 2 2 79 79 VAL HA H 1 4.053 0.020 . 1 . . . . 79 VAL HA . 19724 1 444 . 2 2 79 79 VAL HB H 1 2.057 0.020 . 1 . . . . 79 VAL HB . 19724 1 445 . 2 2 79 79 VAL HG11 H 1 0.930 0.020 . 1 . . . . 79 VAL HG1 . 19724 1 446 . 2 2 79 79 VAL HG12 H 1 0.930 0.020 . 1 . . . . 79 VAL HG1 . 19724 1 447 . 2 2 79 79 VAL HG13 H 1 0.930 0.020 . 1 . . . . 79 VAL HG1 . 19724 1 448 . 2 2 79 79 VAL HG21 H 1 0.930 0.020 . 1 . . . . 79 VAL HG2 . 19724 1 449 . 2 2 79 79 VAL HG22 H 1 0.930 0.020 . 1 . . . . 79 VAL HG2 . 19724 1 450 . 2 2 79 79 VAL HG23 H 1 0.930 0.020 . 1 . . . . 79 VAL HG2 . 19724 1 451 . 2 2 79 79 VAL CA C 13 62.707 0.3 . 1 . . . . 79 VAL CA . 19724 1 452 . 2 2 79 79 VAL CB C 13 32.443 0.3 . 1 . . . . 79 VAL CB . 19724 1 453 . 2 2 79 79 VAL N N 15 121.377 0.3 . 1 . . . . 79 VAL N . 19724 1 454 . 2 2 80 80 GLY H H 1 8.412 0.020 . 1 . . . . 80 GLY H . 19724 1 455 . 2 2 80 80 GLY HA2 H 1 3.951 0.020 . 2 . . . . 80 GLY HA2 . 19724 1 456 . 2 2 80 80 GLY HA3 H 1 3.908 0.020 . 2 . . . . 80 GLY HA3 . 19724 1 457 . 2 2 80 80 GLY CA C 13 45.017 0.3 . 1 . . . . 80 GLY CA . 19724 1 458 . 2 2 80 80 GLY N N 15 112.066 0.3 . 1 . . . . 80 GLY N . 19724 1 459 . 2 2 81 81 GLU H H 1 8.139 0.020 . 1 . . . . 81 GLU H . 19724 1 460 . 2 2 81 81 GLU HA H 1 4.211 0.020 . 1 . . . . 81 GLU HA . 19724 1 461 . 2 2 81 81 GLU HB2 H 1 1.833 0.020 . 1 . . . . 81 GLU HB2 . 19724 1 462 . 2 2 81 81 GLU HB3 H 1 1.833 0.020 . 1 . . . . 81 GLU HB3 . 19724 1 463 . 2 2 81 81 GLU CA C 13 56.333 0.3 . 1 . . . . 81 GLU CA . 19724 1 464 . 2 2 81 81 GLU CB C 13 30.438 0.3 . 1 . . . . 81 GLU CB . 19724 1 465 . 2 2 81 81 GLU N N 15 120.013 0.3 . 1 . . . . 81 GLU N . 19724 1 466 . 2 2 82 82 HIS H H 1 8.405 0.020 . 1 . . . . 82 HIS H . 19724 1 467 . 2 2 82 82 HIS HA H 1 4.813 0.020 . 1 . . . . 82 HIS HA . 19724 1 468 . 2 2 82 82 HIS CA C 13 53.703 0.3 . 1 . . . . 82 HIS CA . 19724 1 469 . 2 2 82 82 HIS CB C 13 29.633 0.3 . 1 . . . . 82 HIS CB . 19724 1 470 . 2 2 82 82 HIS N N 15 120.628 0.3 . 1 . . . . 82 HIS N . 19724 1 471 . 2 2 84 84 GLY H H 1 8.670 0.020 . 1 . . . . 84 GLY H . 19724 1 472 . 2 2 84 84 GLY HA2 H 1 3.951 0.020 . 1 . . . . 84 GLY HA2 . 19724 1 473 . 2 2 84 84 GLY HA3 H 1 3.951 0.020 . 1 . . . . 84 GLY HA3 . 19724 1 474 . 2 2 84 84 GLY CA C 13 45.240 0.3 . 1 . . . . 84 GLY CA . 19724 1 475 . 2 2 84 84 GLY N N 15 110.064 0.3 . 1 . . . . 84 GLY N . 19724 1 476 . 2 2 85 85 GLN H H 1 8.296 0.020 . 1 . . . . 85 GLN H . 19724 1 477 . 2 2 85 85 GLN HA H 1 4.343 0.020 . 1 . . . . 85 GLN HA . 19724 1 478 . 2 2 85 85 GLN CA C 13 55.632 0.3 . 1 . . . . 85 GLN CA . 19724 1 479 . 2 2 85 85 GLN CB C 13 29.719 0.3 . 1 . . . . 85 GLN CB . 19724 1 480 . 2 2 85 85 GLN N N 15 120.254 0.3 . 1 . . . . 85 GLN N . 19724 1 481 . 2 2 86 86 GLU H H 1 8.163 0.020 . 1 . . . . 86 GLU H . 19724 1 482 . 2 2 86 86 GLU HA H 1 4.111 0.020 . 1 . . . . 86 GLU HA . 19724 1 483 . 2 2 86 86 GLU CA C 13 58.163 0.3 . 1 . . . . 86 GLU CA . 19724 1 484 . 2 2 86 86 GLU CB C 13 30.984 0.3 . 1 . . . . 86 GLU CB . 19724 1 485 . 2 2 86 86 GLU N N 15 127.799 0.3 . 1 . . . . 86 GLU N . 19724 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 19724 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 20 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 10 '2D 1H-15N heteroNOE' . . . 19724 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $CARA . . 19724 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 2 2 3 3 GLY N N 15 . 2 2 3 3 GLY H H 1 -0.07 . . . . . . . . . . . 19724 1 2 . 2 2 4 4 VAL N N 15 . 2 2 4 4 VAL H H 1 0.26 . . . . . . . . . . . 19724 1 3 . 2 2 7 7 LEU N N 15 . 2 2 7 7 LEU H H 1 0.60 . . . . . . . . . . . 19724 1 4 . 2 2 8 8 GLN N N 15 . 2 2 8 8 GLN H H 1 0.64 . . . . . . . . . . . 19724 1 5 . 2 2 9 9 ALA N N 15 . 2 2 9 9 ALA H H 1 0.63 . . . . . . . . . . . 19724 1 6 . 2 2 10 10 GLU N N 15 . 2 2 10 10 GLU H H 1 0.67 . . . . . . . . . . . 19724 1 7 . 2 2 12 12 ASP N N 15 . 2 2 12 12 ASP H H 1 0.65 . . . . . . . . . . . 19724 1 8 . 2 2 13 13 GLN N N 15 . 2 2 13 13 GLN H H 1 0.55 . . . . . . . . . . . 19724 1 9 . 2 2 14 14 LEU N N 15 . 2 2 14 14 LEU H H 1 0.87 . . . . . . . . . . . 19724 1 10 . 2 2 15 15 GLN N N 15 . 2 2 15 15 GLN H H 1 0.77 . . . . . . . . . . . 19724 1 11 . 2 2 16 16 ASP N N 15 . 2 2 16 16 ASP H H 1 0.65 . . . . . . . . . . . 19724 1 12 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.58 . . . . . . . . . . . 19724 1 13 . 2 2 18 18 ASN N N 15 . 2 2 18 18 ASN H H 1 0.62 . . . . . . . . . . . 19724 1 14 . 2 2 19 19 TYR N N 15 . 2 2 19 19 TYR H H 1 0.81 . . . . . . . . . . . 19724 1 15 . 2 2 20 20 ALA N N 15 . 2 2 20 20 ALA H H 1 0.89 . . . . . . . . . . . 19724 1 16 . 2 2 21 21 LEU N N 15 . 2 2 21 21 LEU H H 1 0.77 . . . . . . . . . . . 19724 1 17 . 2 2 22 22 LYS N N 15 . 2 2 22 22 LYS H H 1 0.75 . . . . . . . . . . . 19724 1 18 . 2 2 23 23 THR N N 15 . 2 2 23 23 THR H H 1 0.86 . . . . . . . . . . . 19724 1 19 . 2 2 24 24 LYS N N 15 . 2 2 24 24 LYS H H 1 0.86 . . . . . . . . . . . 19724 1 20 . 2 2 25 25 VAL N N 15 . 2 2 25 25 VAL H H 1 0.78 . . . . . . . . . . . 19724 1 21 . 2 2 26 26 ALA N N 15 . 2 2 26 26 ALA H H 1 0.83 . . . . . . . . . . . 19724 1 22 . 2 2 27 27 GLN N N 15 . 2 2 27 27 GLN H H 1 0.74 . . . . . . . . . . . 19724 1 23 . 2 2 29 29 ARG N N 15 . 2 2 29 29 ARG H H 1 0.71 . . . . . . . . . . . 19724 1 24 . 2 2 30 30 LYS N N 15 . 2 2 30 30 LYS H H 1 0.73 . . . . . . . . . . . 19724 1 25 . 2 2 31 31 LYS N N 15 . 2 2 31 31 LYS H H 1 0.79 . . . . . . . . . . . 19724 1 26 . 2 2 32 32 VAL N N 15 . 2 2 32 32 VAL H H 1 0.60 . . . . . . . . . . . 19724 1 27 . 2 2 33 33 GLU N N 15 . 2 2 33 33 GLU H H 1 0.78 . . . . . . . . . . . 19724 1 28 . 2 2 34 34 LYS N N 15 . 2 2 34 34 LYS H H 1 0.69 . . . . . . . . . . . 19724 1 29 . 2 2 35 35 LEU N N 15 . 2 2 35 35 LEU H H 1 0.71 . . . . . . . . . . . 19724 1 30 . 2 2 36 36 SER N N 15 . 2 2 36 36 SER H H 1 0.61 . . . . . . . . . . . 19724 1 31 . 2 2 37 37 GLY N N 15 . 2 2 37 37 GLY H H 1 0.44 . . . . . . . . . . . 19724 1 32 . 2 2 38 38 GLY N N 15 . 2 2 38 38 GLY H H 1 0.30 . . . . . . . . . . . 19724 1 33 . 2 2 39 39 ASP N N 15 . 2 2 39 39 ASP H H 1 0.10 . . . . . . . . . . . 19724 1 34 . 2 2 40 40 LYS N N 15 . 2 2 40 40 LYS H H 1 0.02 . . . . . . . . . . . 19724 1 35 . 2 2 41 41 ASP N N 15 . 2 2 41 41 ASP H H 1 0.02 . . . . . . . . . . . 19724 1 36 . 2 2 42 42 ASP N N 15 . 2 2 42 42 ASP H H 1 0.02 . . . . . . . . . . . 19724 1 37 . 2 2 43 43 SER N N 15 . 2 2 43 43 SER H H 1 0.02 . . . . . . . . . . . 19724 1 38 . 2 2 44 44 LYS N N 15 . 2 2 44 44 LYS H H 1 0.05 . . . . . . . . . . . 19724 1 39 . 2 2 45 45 ALA N N 15 . 2 2 45 45 ALA H H 1 -0.04 . . . . . . . . . . . 19724 1 40 . 2 2 46 46 GLY N N 15 . 2 2 46 46 GLY H H 1 -0.15 . . . . . . . . . . . 19724 1 41 . 2 2 47 47 MET N N 15 . 2 2 47 47 MET H H 1 -0.03 . . . . . . . . . . . 19724 1 42 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 -0.10 . . . . . . . . . . . 19724 1 43 . 2 2 49 49 GLU N N 15 . 2 2 49 49 GLU H H 1 -0.11 . . . . . . . . . . . 19724 1 44 . 2 2 50 50 ASP N N 15 . 2 2 50 50 ASP H H 1 -0.10 . . . . . . . . . . . 19724 1 45 . 2 2 51 51 HIS N N 15 . 2 2 51 51 HIS H H 1 0.16 . . . . . . . . . . . 19724 1 46 . 2 2 52 52 THR N N 15 . 2 2 52 52 THR H H 1 0.09 . . . . . . . . . . . 19724 1 47 . 2 2 53 53 TYR N N 15 . 2 2 53 53 TYR H H 1 0.13 . . . . . . . . . . . 19724 1 48 . 2 2 54 54 GLU N N 15 . 2 2 54 54 GLU H H 1 0.04 . . . . . . . . . . . 19724 1 49 . 2 2 55 55 GLY N N 15 . 2 2 55 55 GLY H H 1 -0.11 . . . . . . . . . . . 19724 1 50 . 2 2 56 56 LEU N N 15 . 2 2 56 56 LEU H H 1 -0.05 . . . . . . . . . . . 19724 1 51 . 2 2 57 57 ASP N N 15 . 2 2 57 57 ASP H H 1 -0.06 . . . . . . . . . . . 19724 1 52 . 2 2 58 58 ILE N N 15 . 2 2 58 58 ILE H H 1 -0.14 . . . . . . . . . . . 19724 1 53 . 2 2 59 59 ASP N N 15 . 2 2 59 59 ASP H H 1 -0.09 . . . . . . . . . . . 19724 1 54 . 2 2 60 60 GLN N N 15 . 2 2 60 60 GLN H H 1 -0.08 . . . . . . . . . . . 19724 1 55 . 2 2 61 61 THR N N 15 . 2 2 61 61 THR H H 1 -0.03 . . . . . . . . . . . 19724 1 56 . 2 2 62 62 ALA N N 15 . 2 2 62 62 ALA H H 1 0.07 . . . . . . . . . . . 19724 1 57 . 2 2 63 63 THR N N 15 . 2 2 63 63 THR H H 1 -0.10 . . . . . . . . . . . 19724 1 58 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.08 . . . . . . . . . . . 19724 1 59 . 2 2 65 65 GLU N N 15 . 2 2 65 65 GLU H H 1 0.06 . . . . . . . . . . . 19724 1 60 . 2 2 66 66 ASP N N 15 . 2 2 66 66 ASP H H 1 0.01 . . . . . . . . . . . 19724 1 61 . 2 2 67 67 ILE N N 15 . 2 2 67 67 ILE H H 1 -0.07 . . . . . . . . . . . 19724 1 62 . 2 2 68 68 VAL N N 15 . 2 2 68 68 VAL H H 1 0.15 . . . . . . . . . . . 19724 1 63 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.12 . . . . . . . . . . . 19724 1 64 . 2 2 70 70 LEU N N 15 . 2 2 70 70 LEU H H 1 0.11 . . . . . . . . . . . 19724 1 65 . 2 2 71 71 ARG N N 15 . 2 2 71 71 ARG H H 1 0.00 . . . . . . . . . . . 19724 1 66 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.02 . . . . . . . . . . . 19724 1 67 . 2 2 73 73 GLY N N 15 . 2 2 73 73 GLY H H 1 0.00 . . . . . . . . . . . 19724 1 68 . 2 2 74 74 GLU N N 15 . 2 2 74 74 GLU H H 1 0.09 . . . . . . . . . . . 19724 1 69 . 2 2 75 75 VAL N N 15 . 2 2 75 75 VAL H H 1 -0.07 . . . . . . . . . . . 19724 1 70 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 -0.17 . . . . . . . . . . . 19724 1 71 . 2 2 77 77 TRP N N 15 . 2 2 77 77 TRP H H 1 -0.09 . . . . . . . . . . . 19724 1 72 . 2 2 78 78 SER N N 15 . 2 2 78 78 SER H H 1 -0.07 . . . . . . . . . . . 19724 1 73 . 2 2 79 79 VAL N N 15 . 2 2 79 79 VAL H H 1 -0.26 . . . . . . . . . . . 19724 1 74 . 2 2 80 80 GLY N N 15 . 2 2 80 80 GLY H H 1 -0.29 . . . . . . . . . . . 19724 1 75 . 2 2 81 81 GLU N N 15 . 2 2 81 81 GLU H H 1 -0.65 . . . . . . . . . . . 19724 1 76 . 2 2 82 82 HIS N N 15 . 2 2 82 82 HIS H H 1 -0.60 . . . . . . . . . . . 19724 1 77 . 2 2 84 84 GLY N N 15 . 2 2 84 84 GLY H H 1 -0.94 . . . . . . . . . . . 19724 1 78 . 2 2 85 85 GLN N N 15 . 2 2 85 85 GLN H H 1 -1.19 . . . . . . . . . . . 19724 1 79 . 2 2 86 86 GLU N N 15 . 2 2 86 86 GLU H H 1 -1.43 . . . . . . . . . . . 19724 1 stop_ save_