data_25046 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25046 _Entry.Title ; Backbone 1H, 15N Chemical Shift Assignments of the DC-SIGNR carbohydrate recognition domain in the Apo state. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-25 _Entry.Accession_date 2014-06-25 _Entry.Last_release_date 2014-07-25 _Entry.Original_release_date 2014-07-25 _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 Fay Probert . . . 25046 2 Ann Dixon . . . 25046 3 Dan Mitchell . . . 25046 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Warwick University' . 25046 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25046 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 84 25046 '15N chemical shifts' 84 25046 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 . . 2014-07-25 2014-06-25 original author . 25046 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19297 'Assignment of DC-SIGNR carbohydrate recognition domain in holo (calcium bound) state.' 25046 PDB 1K9J 'Crystal structure of DC-SIGNR CRD in complex with small glycan fragment GlcNAc2Man3.' 25046 stop_ save_ ############### # Citations # ############### save_DC-SIGNR_holo_assignment_and_ligand_binding_citation _Citation.Sf_category citations _Citation.Sf_framecode DC-SIGNR_holo_assignment_and_ligand_binding_citation _Citation.Entry_ID 25046 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23788638 _Citation.Full_citation . _Citation.Title 'Solution NMR analyses of the C-type carbohydrate recognition domain of DC-SIGNR protein reveal different binding modes for HIV-derived oligosaccharides and smaller glycan fragments.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _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 Fay Probert . . . 25046 1 2 Ann Dixon . M. . 25046 1 3 Dan Mitchell . A. . 25046 1 4 Sara Whittaker . B-M . 25046 1 5 Max Crispin . . . 25046 1 stop_ save_ save_DC-SIGNR_apo_assignment_citation _Citation.Sf_category citations _Citation.Sf_framecode DC-SIGNR_apo_assignment_citation _Citation.Entry_ID 25046 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR evidence for oligosaccharide release from the DC-SIGNR (CLEC4M) carbohydrate recognition domain at low pH' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _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 Fay Probert . . . 25046 2 2 Ann Dixon . . . 25046 2 3 Dan Mitchell . . . 25046 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25046 _Assembly.ID 1 _Assembly.Name 'DC-SIGNR CRD apo' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 16194.7 _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 'DC-SIGNR CRD' 1 $DC-SIGNR A . yes native no no . . . 25046 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DC-SIGNR _Entity.Sf_category entity _Entity.Sf_framecode DC-SIGNR _Entity.Entry_ID 25046 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DC-SIGNR _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 ; AERLCRHCPKDWTFFQGNCY FMSNSQRNWHDSVTACQEVR AQLVVIKTAEEQNFLQLQTS RSNRFSWMGLSDLNQEGTWQ WVDGSPLSPSFQRYWNSGEP NNSGNEDCAEFSGSGWNDNR CDVDNYWICKKPAACFRDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'DC-SIGNR Carbohydrate recognition domain' _Entity.Mutation None _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16194.7 _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 NCBI 9606 . "Dendritic cell-specific ICAM-3-grabbing non-integrin related (DC-SIGNR)" . . . . . . . . . . . . . . 25046 1 2 no BMRB 19297 . DC-SIGNR_carbohydrate_recognition_domain . . . . . 100.00 139 100.00 100.00 1.38e-97 . . . . 25046 1 3 no PDB 1K9J . "Complex Of Dc-signr And Glcnac2man3" . . . . . 100.00 139 100.00 100.00 1.38e-97 . . . . 25046 1 4 no PDB 1SL6 . "Crystal Structure Of A Fragment Of Dc-signr (containg The Carbohydrate Recognition Domain And Two Repeats Of The Neck) Complexe" . . . . . 99.28 184 100.00 100.00 2.94e-98 . . . . 25046 1 5 no PDB 1XAR . "Crystal Structure Of A Fragment Of Dc-Signr (Containing The Carbohydrate Recognition Domain And Two Repeats Of The Neck)" . . . . . 99.28 184 100.00 100.00 2.94e-98 . . . . 25046 1 6 no PDB 1XPH . "Structure Of Dc-Signr And A Portion Of Repeat Domain 8" . . . . . 99.28 150 100.00 100.00 2.71e-97 . . . . 25046 1 7 no DBJ BAF84967 . "unnamed protein product [Homo sapiens]" . . . . . 99.28 376 100.00 100.00 1.50e-100 . . . . 25046 1 8 no DBJ BAG65307 . "unnamed protein product [Homo sapiens]" . . . . . 99.28 348 100.00 100.00 4.05e-101 . . . . 25046 1 9 no GB AAG13815 . "probable mannose binding C-type lectin DC-SIGNR [Homo sapiens]" . . . . . 99.28 399 100.00 100.00 1.05e-100 . . . . 25046 1 10 no GB AAG13848 . "probable mannose binding C-type lectin DC-SIGNR [Homo sapiens]" . . . . . 99.28 399 99.28 99.28 1.35e-99 . . . . 25046 1 11 no GB AAH38851 . "C-type lectin domain family 4, member M [Homo sapiens]" . . . . . 99.28 399 100.00 100.00 1.05e-100 . . . . 25046 1 12 no GB AAI10615 . "CLEC4M protein [Homo sapiens]" . . . . . 99.28 387 100.00 100.00 1.36e-100 . . . . 25046 1 13 no GB AAK20998 . "L-SIGN [Homo sapiens]" . . . . . 99.28 376 100.00 100.00 1.50e-100 . . . . 25046 1 14 no REF NP_001138376 . "C-type lectin domain family 4 member M isoform 2 [Homo sapiens]" . . . . . 99.28 348 100.00 100.00 4.77e-101 . . . . 25046 1 15 no REF NP_001138377 . "C-type lectin domain family 4 member M isoform 12 [Homo sapiens]" . . . . . 99.28 375 100.00 100.00 1.52e-100 . . . . 25046 1 16 no REF NP_001138378 . "C-type lectin domain family 4 member M isoform 7 [Homo sapiens]" . . . . . 100.00 263 99.28 99.28 1.92e-99 . . . . 25046 1 17 no REF NP_001138379 . "C-type lectin domain family 4 member M isoform 11 [Homo sapiens]" . . . . . 100.00 332 99.28 99.28 1.69e-100 . . . . 25046 1 18 no REF NP_001138381 . "C-type lectin domain family 4 member M isoform 9 [Homo sapiens]" . . . . . 99.28 353 100.00 100.00 2.24e-100 . . . . 25046 1 19 no SP Q8HY06 . "RecName: Full=C-type lectin domain family 4 member M; AltName: Full=CD209 antigen-like protein 1; AltName: CD_antigen=CD299" . . . . . 99.28 376 97.10 98.55 5.03e-98 . . . . 25046 1 20 no SP Q9H2X3 . "RecName: Full=C-type lectin domain family 4 member M; AltName: Full=CD209 antigen-like protein 1; AltName: Full=DC-SIGN-related" . . . . . 99.28 399 100.00 100.00 1.05e-100 . . . . 25046 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Probable pathogen-recognition receptor involved in peripheral immune surveillance in liver. May mediate the endocytosis of pathogens which are subsequently degraded in lysosomal compartments. Probably recognizes in a calcium-dependent manner high mannose N-linked oligosaccharides in a variety of pathogen antigens, including HIV-1 gp120, HIV-2 gp120, SIV gp120, ebolavirus glycoproteins, HCV E2, and human SARS coronavirus protein S. Is a receptor for ICAM3, probably by binding to mannose-like carbohydrates. Is presumably a coreceptor for the SARS coronavirus. ; 25046 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 25046 1 2 2 GLU . 25046 1 3 3 ARG . 25046 1 4 4 LEU . 25046 1 5 5 CYS . 25046 1 6 6 ARG . 25046 1 7 7 HIS . 25046 1 8 8 CYS . 25046 1 9 9 PRO . 25046 1 10 10 LYS . 25046 1 11 11 ASP . 25046 1 12 12 TRP . 25046 1 13 13 THR . 25046 1 14 14 PHE . 25046 1 15 15 PHE . 25046 1 16 16 GLN . 25046 1 17 17 GLY . 25046 1 18 18 ASN . 25046 1 19 19 CYS . 25046 1 20 20 TYR . 25046 1 21 21 PHE . 25046 1 22 22 MET . 25046 1 23 23 SER . 25046 1 24 24 ASN . 25046 1 25 25 SER . 25046 1 26 26 GLN . 25046 1 27 27 ARG . 25046 1 28 28 ASN . 25046 1 29 29 TRP . 25046 1 30 30 HIS . 25046 1 31 31 ASP . 25046 1 32 32 SER . 25046 1 33 33 VAL . 25046 1 34 34 THR . 25046 1 35 35 ALA . 25046 1 36 36 CYS . 25046 1 37 37 GLN . 25046 1 38 38 GLU . 25046 1 39 39 VAL . 25046 1 40 40 ARG . 25046 1 41 41 ALA . 25046 1 42 42 GLN . 25046 1 43 43 LEU . 25046 1 44 44 VAL . 25046 1 45 45 VAL . 25046 1 46 46 ILE . 25046 1 47 47 LYS . 25046 1 48 48 THR . 25046 1 49 49 ALA . 25046 1 50 50 GLU . 25046 1 51 51 GLU . 25046 1 52 52 GLN . 25046 1 53 53 ASN . 25046 1 54 54 PHE . 25046 1 55 55 LEU . 25046 1 56 56 GLN . 25046 1 57 57 LEU . 25046 1 58 58 GLN . 25046 1 59 59 THR . 25046 1 60 60 SER . 25046 1 61 61 ARG . 25046 1 62 62 SER . 25046 1 63 63 ASN . 25046 1 64 64 ARG . 25046 1 65 65 PHE . 25046 1 66 66 SER . 25046 1 67 67 TRP . 25046 1 68 68 MET . 25046 1 69 69 GLY . 25046 1 70 70 LEU . 25046 1 71 71 SER . 25046 1 72 72 ASP . 25046 1 73 73 LEU . 25046 1 74 74 ASN . 25046 1 75 75 GLN . 25046 1 76 76 GLU . 25046 1 77 77 GLY . 25046 1 78 78 THR . 25046 1 79 79 TRP . 25046 1 80 80 GLN . 25046 1 81 81 TRP . 25046 1 82 82 VAL . 25046 1 83 83 ASP . 25046 1 84 84 GLY . 25046 1 85 85 SER . 25046 1 86 86 PRO . 25046 1 87 87 LEU . 25046 1 88 88 SER . 25046 1 89 89 PRO . 25046 1 90 90 SER . 25046 1 91 91 PHE . 25046 1 92 92 GLN . 25046 1 93 93 ARG . 25046 1 94 94 TYR . 25046 1 95 95 TRP . 25046 1 96 96 ASN . 25046 1 97 97 SER . 25046 1 98 98 GLY . 25046 1 99 99 GLU . 25046 1 100 100 PRO . 25046 1 101 101 ASN . 25046 1 102 102 ASN . 25046 1 103 103 SER . 25046 1 104 104 GLY . 25046 1 105 105 ASN . 25046 1 106 106 GLU . 25046 1 107 107 ASP . 25046 1 108 108 CYS . 25046 1 109 109 ALA . 25046 1 110 110 GLU . 25046 1 111 111 PHE . 25046 1 112 112 SER . 25046 1 113 113 GLY . 25046 1 114 114 SER . 25046 1 115 115 GLY . 25046 1 116 116 TRP . 25046 1 117 117 ASN . 25046 1 118 118 ASP . 25046 1 119 119 ASN . 25046 1 120 120 ARG . 25046 1 121 121 CYS . 25046 1 122 122 ASP . 25046 1 123 123 VAL . 25046 1 124 124 ASP . 25046 1 125 125 ASN . 25046 1 126 126 TYR . 25046 1 127 127 TRP . 25046 1 128 128 ILE . 25046 1 129 129 CYS . 25046 1 130 130 LYS . 25046 1 131 131 LYS . 25046 1 132 132 PRO . 25046 1 133 133 ALA . 25046 1 134 134 ALA . 25046 1 135 135 CYS . 25046 1 136 136 PHE . 25046 1 137 137 ARG . 25046 1 138 138 ASP . 25046 1 139 139 GLU . 25046 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 . ALA 1 1 25046 1 . GLU 2 2 25046 1 . ARG 3 3 25046 1 . LEU 4 4 25046 1 . CYS 5 5 25046 1 . ARG 6 6 25046 1 . HIS 7 7 25046 1 . CYS 8 8 25046 1 . PRO 9 9 25046 1 . LYS 10 10 25046 1 . ASP 11 11 25046 1 . TRP 12 12 25046 1 . THR 13 13 25046 1 . PHE 14 14 25046 1 . PHE 15 15 25046 1 . GLN 16 16 25046 1 . GLY 17 17 25046 1 . ASN 18 18 25046 1 . CYS 19 19 25046 1 . TYR 20 20 25046 1 . PHE 21 21 25046 1 . MET 22 22 25046 1 . SER 23 23 25046 1 . ASN 24 24 25046 1 . SER 25 25 25046 1 . GLN 26 26 25046 1 . ARG 27 27 25046 1 . ASN 28 28 25046 1 . TRP 29 29 25046 1 . HIS 30 30 25046 1 . ASP 31 31 25046 1 . SER 32 32 25046 1 . VAL 33 33 25046 1 . THR 34 34 25046 1 . ALA 35 35 25046 1 . CYS 36 36 25046 1 . GLN 37 37 25046 1 . GLU 38 38 25046 1 . VAL 39 39 25046 1 . ARG 40 40 25046 1 . ALA 41 41 25046 1 . GLN 42 42 25046 1 . LEU 43 43 25046 1 . VAL 44 44 25046 1 . VAL 45 45 25046 1 . ILE 46 46 25046 1 . LYS 47 47 25046 1 . THR 48 48 25046 1 . ALA 49 49 25046 1 . GLU 50 50 25046 1 . GLU 51 51 25046 1 . GLN 52 52 25046 1 . ASN 53 53 25046 1 . PHE 54 54 25046 1 . LEU 55 55 25046 1 . GLN 56 56 25046 1 . LEU 57 57 25046 1 . GLN 58 58 25046 1 . THR 59 59 25046 1 . SER 60 60 25046 1 . ARG 61 61 25046 1 . SER 62 62 25046 1 . ASN 63 63 25046 1 . ARG 64 64 25046 1 . PHE 65 65 25046 1 . SER 66 66 25046 1 . TRP 67 67 25046 1 . MET 68 68 25046 1 . GLY 69 69 25046 1 . LEU 70 70 25046 1 . SER 71 71 25046 1 . ASP 72 72 25046 1 . LEU 73 73 25046 1 . ASN 74 74 25046 1 . GLN 75 75 25046 1 . GLU 76 76 25046 1 . GLY 77 77 25046 1 . THR 78 78 25046 1 . TRP 79 79 25046 1 . GLN 80 80 25046 1 . TRP 81 81 25046 1 . VAL 82 82 25046 1 . ASP 83 83 25046 1 . GLY 84 84 25046 1 . SER 85 85 25046 1 . PRO 86 86 25046 1 . LEU 87 87 25046 1 . SER 88 88 25046 1 . PRO 89 89 25046 1 . SER 90 90 25046 1 . PHE 91 91 25046 1 . GLN 92 92 25046 1 . ARG 93 93 25046 1 . TYR 94 94 25046 1 . TRP 95 95 25046 1 . ASN 96 96 25046 1 . SER 97 97 25046 1 . GLY 98 98 25046 1 . GLU 99 99 25046 1 . PRO 100 100 25046 1 . ASN 101 101 25046 1 . ASN 102 102 25046 1 . SER 103 103 25046 1 . GLY 104 104 25046 1 . ASN 105 105 25046 1 . GLU 106 106 25046 1 . ASP 107 107 25046 1 . CYS 108 108 25046 1 . ALA 109 109 25046 1 . GLU 110 110 25046 1 . PHE 111 111 25046 1 . SER 112 112 25046 1 . GLY 113 113 25046 1 . SER 114 114 25046 1 . GLY 115 115 25046 1 . TRP 116 116 25046 1 . ASN 117 117 25046 1 . ASP 118 118 25046 1 . ASN 119 119 25046 1 . ARG 120 120 25046 1 . CYS 121 121 25046 1 . ASP 122 122 25046 1 . VAL 123 123 25046 1 . ASP 124 124 25046 1 . ASN 125 125 25046 1 . TYR 126 126 25046 1 . TRP 127 127 25046 1 . ILE 128 128 25046 1 . CYS 129 129 25046 1 . LYS 130 130 25046 1 . LYS 131 131 25046 1 . PRO 132 132 25046 1 . ALA 133 133 25046 1 . ALA 134 134 25046 1 . CYS 135 135 25046 1 . PHE 136 136 25046 1 . ARG 137 137 25046 1 . ASP 138 138 25046 1 . GLU 139 139 25046 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25046 _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 $DC-SIGNR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . CLEC4M . 'Synonyms: CD209L, CD209L1, CD299' . . 25046 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 25046 _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 $DC-SIGNR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pT5T . . . . . . 25046 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25046 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM d-HEPES, 20 mM NaCl pH 6.8 in 10% D2O / 90% H2O to a final concentration of 0.7 mM DC-SIGNR CRD' _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 DC-SIGNR '[U-100% 15N]' . . 1 $DC-SIGNR . . 0.7 . . mM . . . . 25046 1 2 HEPES '[U-100% 2H]' . . . . . . 20 . . mM . . . . 25046 1 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 25046 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25046 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25046 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 25046 _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 temperature 310 . K 25046 1 pH 6.8 . pH 25046 1 pressure 1 . atm 25046 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25046 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25046 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25046 1 processing 25046 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25046 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25046 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25046 2 'peak picking' 25046 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 25046 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 25046 _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 . 700 . . . 25046 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 25046 _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 . . . . . . . . . . . . . . . . 25046 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25046 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25046 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25046 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25046 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25046 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25046 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 25046 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Proton chemical shifts were referenced against external DSS and nitrogen chemical shifts references indirectly to DSS using the absolute frequency ratio.' 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 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 25046 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 25046 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 25046 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25046 1 2 '3D CBCA(CO)NH' . . . 25046 1 3 '3D C(CO)NH' . . . 25046 1 4 '3D HNCO' . . . 25046 1 5 '3D HNCA' . . . 25046 1 6 '3D HN(CO)CA' . . . 25046 1 7 '3D HNCACB' . . . 25046 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 3 3 ARG H H 1 8.414 . . . . . . . 3 ARG H . 25046 1 2 . 1 1 3 3 ARG N N 15 122.66 . . . . . . . 3 ARG N . 25046 1 3 . 1 1 4 4 LEU H H 1 6.542 . . . . . . . 4 LEU H . 25046 1 4 . 1 1 4 4 LEU N N 15 117.813 . . . . . . . 4 LEU N . 25046 1 5 . 1 1 5 5 CYS H H 1 9.038 . . . . . . . 5 CYS H . 25046 1 6 . 1 1 5 5 CYS N N 15 121.254 . . . . . . . 5 CYS N . 25046 1 7 . 1 1 6 6 ARG H H 1 9.195 . . . . . . . 6 ARG H . 25046 1 8 . 1 1 6 6 ARG N N 15 123.273 . . . . . . . 6 ARG N . 25046 1 9 . 1 1 7 7 HIS H H 1 9.059 . . . . . . . 7 HIS H . 25046 1 10 . 1 1 7 7 HIS N N 15 125.858 . . . . . . . 7 HIS N . 25046 1 11 . 1 1 10 10 LYS H H 1 9.436 . . . . . . . 10 LYS H . 25046 1 12 . 1 1 10 10 LYS N N 15 124.869 . . . . . . . 10 LYS N . 25046 1 13 . 1 1 13 13 THR H H 1 9.714 . . . . . . . 13 THR H . 25046 1 14 . 1 1 13 13 THR N N 15 119.04 . . . . . . . 13 THR N . 25046 1 15 . 1 1 14 14 PHE H H 1 9.028 . . . . . . . 14 PHE H . 25046 1 16 . 1 1 14 14 PHE N N 15 128.789 . . . . . . . 14 PHE N . 25046 1 17 . 1 1 15 15 PHE H H 1 8.641 . . . . . . . 15 PHE H . 25046 1 18 . 1 1 15 15 PHE N N 15 126.505 . . . . . . . 15 PHE N . 25046 1 19 . 1 1 16 16 GLN H H 1 8.636 . . . . . . . 16 GLN H . 25046 1 20 . 1 1 16 16 GLN N N 15 127.179 . . . . . . . 16 GLN N . 25046 1 21 . 1 1 18 18 ASN H H 1 7.503 . . . . . . . 18 ASN H . 25046 1 22 . 1 1 18 18 ASN N N 15 118.147 . . . . . . . 18 ASN N . 25046 1 23 . 1 1 19 19 CYS H H 1 9.372 . . . . . . . 19 CYS H . 25046 1 24 . 1 1 19 19 CYS N N 15 117.021 . . . . . . . 19 CYS N . 25046 1 25 . 1 1 20 20 TYR H H 1 9.867 . . . . . . . 20 TYR H . 25046 1 26 . 1 1 20 20 TYR N N 15 121.178 . . . . . . . 20 TYR N . 25046 1 27 . 1 1 21 21 PHE H H 1 8.526 . . . . . . . 21 PHE H . 25046 1 28 . 1 1 21 21 PHE N N 15 125.247 . . . . . . . 21 PHE N . 25046 1 29 . 1 1 22 22 MET H H 1 7.662 . . . . . . . 22 MET H . 25046 1 30 . 1 1 22 22 MET N N 15 127.166 . . . . . . . 22 MET N . 25046 1 31 . 1 1 23 23 SER H H 1 7.66 . . . . . . . 23 SER H . 25046 1 32 . 1 1 23 23 SER N N 15 118.893 . . . . . . . 23 SER N . 25046 1 33 . 1 1 25 25 SER H H 1 7.123 . . . . . . . 25 SER H . 25046 1 34 . 1 1 25 25 SER N N 15 113.436 . . . . . . . 25 SER N . 25046 1 35 . 1 1 26 26 GLN H H 1 8.319 . . . . . . . 26 GLN H . 25046 1 36 . 1 1 26 26 GLN N N 15 116.662 . . . . . . . 26 GLN N . 25046 1 37 . 1 1 31 31 ASP H H 1 8.927 . . . . . . . 31 ASP H . 25046 1 38 . 1 1 31 31 ASP N N 15 118.345 . . . . . . . 31 ASP N . 25046 1 39 . 1 1 32 32 SER H H 1 7.8 . . . . . . . 32 SER H . 25046 1 40 . 1 1 32 32 SER N N 15 123.288 . . . . . . . 32 SER N . 25046 1 41 . 1 1 33 33 VAL H H 1 7.302 . . . . . . . 33 VAL H . 25046 1 42 . 1 1 33 33 VAL N N 15 122.902 . . . . . . . 33 VAL N . 25046 1 43 . 1 1 34 34 THR H H 1 7.438 . . . . . . . 34 THR H . 25046 1 44 . 1 1 34 34 THR N N 15 114.731 . . . . . . . 34 THR N . 25046 1 45 . 1 1 35 35 ALA H H 1 7.72 . . . . . . . 35 ALA H . 25046 1 46 . 1 1 35 35 ALA N N 15 124.562 . . . . . . . 35 ALA N . 25046 1 47 . 1 1 36 36 CYS H H 1 7.645 . . . . . . . 36 CYS H . 25046 1 48 . 1 1 36 36 CYS N N 15 112.524 . . . . . . . 36 CYS N . 25046 1 49 . 1 1 38 38 GLU H H 1 8.196 . . . . . . . 38 GLU H . 25046 1 50 . 1 1 38 38 GLU N N 15 119.465 . . . . . . . 38 GLU N . 25046 1 51 . 1 1 39 39 VAL H H 1 7.066 . . . . . . . 39 VAL H . 25046 1 52 . 1 1 39 39 VAL N N 15 109.769 . . . . . . . 39 VAL N . 25046 1 53 . 1 1 40 40 ARG H H 1 7.871 . . . . . . . 40 ARG H . 25046 1 54 . 1 1 40 40 ARG N N 15 115.656 . . . . . . . 40 ARG N . 25046 1 55 . 1 1 41 41 ALA H H 1 8.069 . . . . . . . 41 ALA H . 25046 1 56 . 1 1 41 41 ALA N N 15 120.291 . . . . . . . 41 ALA N . 25046 1 57 . 1 1 42 42 GLN H H 1 8.037 . . . . . . . 42 GLN H . 25046 1 58 . 1 1 42 42 GLN N N 15 116.856 . . . . . . . 42 GLN N . 25046 1 59 . 1 1 43 43 LEU H H 1 9.07 . . . . . . . 43 LEU H . 25046 1 60 . 1 1 43 43 LEU N N 15 133.098 . . . . . . . 43 LEU N . 25046 1 61 . 1 1 45 45 VAL H H 1 7.044 . . . . . . . 45 VAL H . 25046 1 62 . 1 1 45 45 VAL N N 15 127.82 . . . . . . . 45 VAL N . 25046 1 63 . 1 1 47 47 LYS H H 1 9.097 . . . . . . . 47 LYS H . 25046 1 64 . 1 1 47 47 LYS N N 15 123.146 . . . . . . . 47 LYS N . 25046 1 65 . 1 1 48 48 THR H H 1 7.458 . . . . . . . 48 THR H . 25046 1 66 . 1 1 48 48 THR N N 15 107.032 . . . . . . . 48 THR N . 25046 1 67 . 1 1 49 49 ALA H H 1 9.18 . . . . . . . 49 ALA H . 25046 1 68 . 1 1 49 49 ALA N N 15 125.065 . . . . . . . 49 ALA N . 25046 1 69 . 1 1 50 50 GLU H H 1 8.849 . . . . . . . 50 GLU H . 25046 1 70 . 1 1 50 50 GLU N N 15 117.334 . . . . . . . 50 GLU N . 25046 1 71 . 1 1 51 51 GLU H H 1 8.098 . . . . . . . 51 GLU H . 25046 1 72 . 1 1 51 51 GLU N N 15 123.556 . . . . . . . 51 GLU N . 25046 1 73 . 1 1 52 52 GLN H H 1 7.668 . . . . . . . 52 GLN H . 25046 1 74 . 1 1 52 52 GLN N N 15 121.349 . . . . . . . 52 GLN N . 25046 1 75 . 1 1 53 53 ASN H H 1 8.124 . . . . . . . 53 ASN H . 25046 1 76 . 1 1 53 53 ASN N N 15 116.964 . . . . . . . 53 ASN N . 25046 1 77 . 1 1 54 54 PHE H H 1 7.577 . . . . . . . 54 PHE H . 25046 1 78 . 1 1 54 54 PHE N N 15 120.404 . . . . . . . 54 PHE N . 25046 1 79 . 1 1 55 55 LEU H H 1 7.899 . . . . . . . 55 LEU H . 25046 1 80 . 1 1 55 55 LEU N N 15 120.063 . . . . . . . 55 LEU N . 25046 1 81 . 1 1 56 56 GLN H H 1 8.802 . . . . . . . 56 GLN H . 25046 1 82 . 1 1 56 56 GLN N N 15 122.304 . . . . . . . 56 GLN N . 25046 1 83 . 1 1 57 57 LEU H H 1 7.503 . . . . . . . 57 LEU H . 25046 1 84 . 1 1 57 57 LEU N N 15 119.593 . . . . . . . 57 LEU N . 25046 1 85 . 1 1 58 58 GLN H H 1 7.415 . . . . . . . 58 GLN H . 25046 1 86 . 1 1 58 58 GLN N N 15 116.309 . . . . . . . 58 GLN N . 25046 1 87 . 1 1 59 59 THR H H 1 7.671 . . . . . . . 59 THR H . 25046 1 88 . 1 1 59 59 THR N N 15 111.756 . . . . . . . 59 THR N . 25046 1 89 . 1 1 60 60 SER H H 1 8.094 . . . . . . . 60 SER H . 25046 1 90 . 1 1 60 60 SER N N 15 118.719 . . . . . . . 60 SER N . 25046 1 91 . 1 1 61 61 ARG H H 1 7.921 . . . . . . . 61 ARG H . 25046 1 92 . 1 1 61 61 ARG N N 15 121.494 . . . . . . . 61 ARG N . 25046 1 93 . 1 1 62 62 SER H H 1 7.182 . . . . . . . 62 SER H . 25046 1 94 . 1 1 62 62 SER N N 15 111.486 . . . . . . . 62 SER N . 25046 1 95 . 1 1 63 63 ASN H H 1 7.756 . . . . . . . 63 ASN H . 25046 1 96 . 1 1 63 63 ASN N N 15 118.41 . . . . . . . 63 ASN N . 25046 1 97 . 1 1 64 64 ARG H H 1 7.353 . . . . . . . 64 ARG H . 25046 1 98 . 1 1 64 64 ARG N N 15 116.397 . . . . . . . 64 ARG N . 25046 1 99 . 1 1 65 65 PHE H H 1 8.783 . . . . . . . 65 PHE H . 25046 1 100 . 1 1 65 65 PHE N N 15 125.362 . . . . . . . 65 PHE N . 25046 1 101 . 1 1 67 67 TRP H H 1 9.856 . . . . . . . 67 TRP H . 25046 1 102 . 1 1 67 67 TRP N N 15 124.869 . . . . . . . 67 TRP N . 25046 1 103 . 1 1 69 69 GLY H H 1 9.82 . . . . . . . 69 GLY H . 25046 1 104 . 1 1 69 69 GLY N N 15 112.058 . . . . . . . 69 GLY N . 25046 1 105 . 1 1 70 70 LEU H H 1 8.373 . . . . . . . 70 LEU H . 25046 1 106 . 1 1 70 70 LEU N N 15 127.786 . . . . . . . 70 LEU N . 25046 1 107 . 1 1 72 72 ASP H H 1 7.85 . . . . . . . 72 ASP H . 25046 1 108 . 1 1 72 72 ASP N N 15 123.573 . . . . . . . 72 ASP N . 25046 1 109 . 1 1 74 74 ASN H H 1 7.778 . . . . . . . 74 ASN H . 25046 1 110 . 1 1 74 74 ASN N N 15 115.662 . . . . . . . 74 ASN N . 25046 1 111 . 1 1 76 76 GLU H H 1 8.071 . . . . . . . 76 GLU H . 25046 1 112 . 1 1 76 76 GLU N N 15 127.907 . . . . . . . 76 GLU N . 25046 1 113 . 1 1 78 78 THR H H 1 8.268 . . . . . . . 78 THR H . 25046 1 114 . 1 1 78 78 THR N N 15 121.58 . . . . . . . 78 THR N . 25046 1 115 . 1 1 80 80 GLN H H 1 9.013 . . . . . . . 80 GLN H . 25046 1 116 . 1 1 80 80 GLN N N 15 123.431 . . . . . . . 80 GLN N . 25046 1 117 . 1 1 81 81 TRP H H 1 9.499 . . . . . . . 81 TRP H . 25046 1 118 . 1 1 81 81 TRP N N 15 126.962 . . . . . . . 81 TRP N . 25046 1 119 . 1 1 82 82 VAL H H 1 8.929 . . . . . . . 82 VAL H . 25046 1 120 . 1 1 82 82 VAL N N 15 115.286 . . . . . . . 82 VAL N . 25046 1 121 . 1 1 83 83 ASP H H 1 7.256 . . . . . . . 83 ASP H . 25046 1 122 . 1 1 83 83 ASP N N 15 117.882 . . . . . . . 83 ASP N . 25046 1 123 . 1 1 84 84 GLY H H 1 8.462 . . . . . . . 84 GLY H . 25046 1 124 . 1 1 84 84 GLY N N 15 109.033 . . . . . . . 84 GLY N . 25046 1 125 . 1 1 85 85 SER H H 1 8.245 . . . . . . . 85 SER H . 25046 1 126 . 1 1 85 85 SER N N 15 119.122 . . . . . . . 85 SER N . 25046 1 127 . 1 1 87 87 LEU H H 1 7.852 . . . . . . . 87 LEU H . 25046 1 128 . 1 1 87 87 LEU N N 15 121.448 . . . . . . . 87 LEU N . 25046 1 129 . 1 1 88 88 SER H H 1 8.942 . . . . . . . 88 SER H . 25046 1 130 . 1 1 88 88 SER N N 15 127.337 . . . . . . . 88 SER N . 25046 1 131 . 1 1 91 91 PHE H H 1 8.173 . . . . . . . 91 PHE H . 25046 1 132 . 1 1 91 91 PHE N N 15 120.462 . . . . . . . 91 PHE N . 25046 1 133 . 1 1 92 92 GLN H H 1 7.362 . . . . . . . 92 GLN H . 25046 1 134 . 1 1 92 92 GLN N N 15 117.665 . . . . . . . 92 GLN N . 25046 1 135 . 1 1 93 93 ARG H H 1 6.953 . . . . . . . 93 ARG H . 25046 1 136 . 1 1 93 93 ARG N N 15 113.603 . . . . . . . 93 ARG N . 25046 1 137 . 1 1 94 94 TYR H H 1 6.644 . . . . . . . 94 TYR H . 25046 1 138 . 1 1 94 94 TYR N N 15 118.51 . . . . . . . 94 TYR N . 25046 1 139 . 1 1 95 95 TRP H H 1 6.365 . . . . . . . 95 TRP H . 25046 1 140 . 1 1 95 95 TRP N N 15 117.872 . . . . . . . 95 TRP N . 25046 1 141 . 1 1 96 96 ASN H H 1 9.773 . . . . . . . 96 ASN H . 25046 1 142 . 1 1 96 96 ASN N N 15 122.655 . . . . . . . 96 ASN N . 25046 1 143 . 1 1 97 97 SER H H 1 8.488 . . . . . . . 97 SER H . 25046 1 144 . 1 1 97 97 SER N N 15 114.049 . . . . . . . 97 SER N . 25046 1 145 . 1 1 106 106 GLU H H 1 7.667 . . . . . . . 106 GLU H . 25046 1 146 . 1 1 106 106 GLU N N 15 123.009 . . . . . . . 106 GLU N . 25046 1 147 . 1 1 109 109 ALA H H 1 7.958 . . . . . . . 109 ALA H . 25046 1 148 . 1 1 109 109 ALA N N 15 126.411 . . . . . . . 109 ALA N . 25046 1 149 . 1 1 111 111 PHE H H 1 9.372 . . . . . . . 111 PHE H . 25046 1 150 . 1 1 111 111 PHE N N 15 120.799 . . . . . . . 111 PHE N . 25046 1 151 . 1 1 113 113 GLY H H 1 8.723 . . . . . . . 113 GLY H . 25046 1 152 . 1 1 113 113 GLY N N 15 115.666 . . . . . . . 113 GLY N . 25046 1 153 . 1 1 116 116 TRP H H 1 8.351 . . . . . . . 116 TRP H . 25046 1 154 . 1 1 116 116 TRP N N 15 122.348 . . . . . . . 116 TRP N . 25046 1 155 . 1 1 119 119 ASN H H 1 9.934 . . . . . . . 119 ASN H . 25046 1 156 . 1 1 119 119 ASN N N 15 124.91 . . . . . . . 119 ASN N . 25046 1 157 . 1 1 120 120 ARG H H 1 9.475 . . . . . . . 120 ARG H . 25046 1 158 . 1 1 120 120 ARG N N 15 122.429 . . . . . . . 120 ARG N . 25046 1 159 . 1 1 123 123 VAL H H 1 7.603 . . . . . . . 123 VAL H . 25046 1 160 . 1 1 123 123 VAL N N 15 121.405 . . . . . . . 123 VAL N . 25046 1 161 . 1 1 126 126 TYR H H 1 7.104 . . . . . . . 126 TYR H . 25046 1 162 . 1 1 126 126 TYR N N 15 116.631 . . . . . . . 126 TYR N . 25046 1 163 . 1 1 133 133 ALA H H 1 7.792 . . . . . . . 133 ALA H . 25046 1 164 . 1 1 133 133 ALA N N 15 122.859 . . . . . . . 133 ALA N . 25046 1 165 . 1 1 134 134 ALA H H 1 8.54 . . . . . . . 134 ALA H . 25046 1 166 . 1 1 134 134 ALA N N 15 123.55 . . . . . . . 134 ALA N . 25046 1 167 . 1 1 138 138 ASP H H 1 8.295 . . . . . . . 138 ASP H . 25046 1 168 . 1 1 138 138 ASP N N 15 122.505 . . . . . . . 138 ASP N . 25046 1 stop_ save_