data_18704 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18704 _Entry.Title ; human Siglec5 Carbohydrate Recognition Domain Chemical Shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-06 _Entry.Accession_date 2012-09-06 _Entry.Last_release_date 2012-09-07 _Entry.Original_release_date 2012-09-07 _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 Adam Barb . W. . 18704 2 James Prestegard . H. . 18704 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18704 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 18704 '15N chemical shifts' 110 18704 '1H chemical shifts' 110 18704 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 . . 2012-09-07 2012-09-06 original author . 18704 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18704 _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 'NMR chemical shift mapping of refolded human sialic-acid-binding immunoglobulin-like lectin 5 binding to complex carbohydrates' _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 Adam Barb . W. . 18704 1 2 Xu Wang . . . 18704 1 3 James Prestegard . H. . 18704 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18704 _Assembly.ID 1 _Assembly.Name 'Siglec5 CRD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16507 _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 Siglec5 1 $Siglec5 A . yes native no no . . . 18704 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 43 43 SG . 1 . 1 CYS 103 103 SG . Siglec5 43 CYS HG . Siglec5 103 CYS HG 18704 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Siglec5 _Entity.Sf_category entity _Entity.Sf_framecode Siglec5 _Entity.Entry_ID 18704 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Siglec5 _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 ; MGSSHHHHHHSSGLVPRGSH PVYELQVQKSVTVQEGLAVL VPCSFSYPWRSWYSSPPLYV YWFRDGEIPYYAEVVATNNP DRRVKPETQGRFRLLGDVQK KNCSLSIGDARMEDTGSYFF RVERGRDVKYSYQQNKLNLE VTA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This construct encodes residues P19 to A141 of human siglec5; from Uniprot DB: O15389' _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 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Residue C38 (C36 in Uniprot DB: O15389) was mutated to A to remove one half of an inter-domain disulphide bond' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2ZG1 . "Crystal Structure Of Two N-Terminal Domains Of Siglec-5 In Complex With 6'-Sialyllactose" . . . . . 85.31 214 99.18 99.18 7.99e-83 . . . . 18704 1 2 no PDB 2ZG2 . "Crystal Structure Of Two N-Terminal Domains Of Native Siglec-5" . . . . . 85.31 216 99.18 99.18 8.52e-83 . . . . 18704 1 3 no PDB 2ZG3 . "Crystal Structure Of Two N-terminal Domains Of Native Siglec-5 In Complex With 3'-sialyllactose" . . . . . 85.31 214 99.18 99.18 7.99e-83 . . . . 18704 1 4 no DBJ BAG60544 . "unnamed protein product [Homo sapiens]" . . . . . 86.71 396 98.39 98.39 8.32e-82 . . . . 18704 1 5 no GB AAB70703 . "OB binding protein-2 [Homo sapiens]" . . . . . 86.71 551 98.39 98.39 2.13e-80 . . . . 18704 1 6 no GB AAD50978 . "sialic acid binding Ig-like lectin-5 [Homo sapiens]" . . . . . 86.71 551 98.39 98.39 2.87e-80 . . . . 18704 1 7 no GB AAF87846 . "SIGLEC5 [Homo sapiens]" . . . . . 86.71 551 98.39 98.39 2.13e-80 . . . . 18704 1 8 no GB AAH29896 . "Sialic acid binding Ig-like lectin 5 [Homo sapiens]" . . . . . 86.71 551 98.39 98.39 1.96e-80 . . . . 18704 1 9 no GB AAK77223 . "sialic acid binding Ig-like lectin 5 [Homo sapiens]" . . . . . 86.71 551 98.39 98.39 2.13e-80 . . . . 18704 1 10 no REF NP_001092082 . "sialic acid-binding Ig-like lectin 14 precursor [Homo sapiens]" . . . . . 86.71 396 98.39 98.39 8.32e-82 . . . . 18704 1 11 no REF NP_003821 . "sialic acid-binding Ig-like lectin 5 precursor [Homo sapiens]" . . . . . 86.71 551 98.39 98.39 2.13e-80 . . . . 18704 1 12 no REF XP_006723021 . "PREDICTED: sialic acid-binding Ig-like lectin 14 isoform X2 [Homo sapiens]" . . . . . 86.71 252 98.39 98.39 2.76e-83 . . . . 18704 1 13 no REF XP_011524598 . "PREDICTED: sialic acid-binding Ig-like lectin 14 isoform X1 [Homo sapiens]" . . . . . 86.71 383 98.39 98.39 4.80e-82 . . . . 18704 1 14 no REF XP_011524599 . "PREDICTED: sialic acid-binding Ig-like lectin 14 isoform X1 [Homo sapiens]" . . . . . 86.71 383 98.39 98.39 4.80e-82 . . . . 18704 1 15 no SP O15389 . "RecName: Full=Sialic acid-binding Ig-like lectin 5; Short=Siglec-5; AltName: Full=CD33 antigen-like 2; AltName: Full=Obesity-bi" . . . . . 86.71 551 98.39 98.39 2.13e-80 . . . . 18704 1 16 no SP Q08ET2 . "RecName: Full=Sialic acid-binding Ig-like lectin 14; Short=Siglec-14; Flags: Precursor" . . . . . 86.71 396 98.39 98.39 8.32e-82 . . . . 18704 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'sialic acid binding lectin' 18704 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 . MET . 18704 1 2 . GLY . 18704 1 3 . SER . 18704 1 4 . SER . 18704 1 5 . HIS . 18704 1 6 . HIS . 18704 1 7 . HIS . 18704 1 8 . HIS . 18704 1 9 . HIS . 18704 1 10 . HIS . 18704 1 11 . SER . 18704 1 12 . SER . 18704 1 13 . GLY . 18704 1 14 . LEU . 18704 1 15 . VAL . 18704 1 16 . PRO . 18704 1 17 . ARG . 18704 1 18 . GLY . 18704 1 19 . SER . 18704 1 20 . HIS . 18704 1 21 . PRO . 18704 1 22 . VAL . 18704 1 23 . TYR . 18704 1 24 . GLU . 18704 1 25 . LEU . 18704 1 26 . GLN . 18704 1 27 . VAL . 18704 1 28 . GLN . 18704 1 29 . LYS . 18704 1 30 . SER . 18704 1 31 . VAL . 18704 1 32 . THR . 18704 1 33 . VAL . 18704 1 34 . GLN . 18704 1 35 . GLU . 18704 1 36 . GLY . 18704 1 37 . LEU . 18704 1 38 . ALA . 18704 1 39 . VAL . 18704 1 40 . LEU . 18704 1 41 . VAL . 18704 1 42 . PRO . 18704 1 43 . CYS . 18704 1 44 . SER . 18704 1 45 . PHE . 18704 1 46 . SER . 18704 1 47 . TYR . 18704 1 48 . PRO . 18704 1 49 . TRP . 18704 1 50 . ARG . 18704 1 51 . SER . 18704 1 52 . TRP . 18704 1 53 . TYR . 18704 1 54 . SER . 18704 1 55 . SER . 18704 1 56 . PRO . 18704 1 57 . PRO . 18704 1 58 . LEU . 18704 1 59 . TYR . 18704 1 60 . VAL . 18704 1 61 . TYR . 18704 1 62 . TRP . 18704 1 63 . PHE . 18704 1 64 . ARG . 18704 1 65 . ASP . 18704 1 66 . GLY . 18704 1 67 . GLU . 18704 1 68 . ILE . 18704 1 69 . PRO . 18704 1 70 . TYR . 18704 1 71 . TYR . 18704 1 72 . ALA . 18704 1 73 . GLU . 18704 1 74 . VAL . 18704 1 75 . VAL . 18704 1 76 . ALA . 18704 1 77 . THR . 18704 1 78 . ASN . 18704 1 79 . ASN . 18704 1 80 . PRO . 18704 1 81 . ASP . 18704 1 82 . ARG . 18704 1 83 . ARG . 18704 1 84 . VAL . 18704 1 85 . LYS . 18704 1 86 . PRO . 18704 1 87 . GLU . 18704 1 88 . THR . 18704 1 89 . GLN . 18704 1 90 . GLY . 18704 1 91 . ARG . 18704 1 92 . PHE . 18704 1 93 . ARG . 18704 1 94 . LEU . 18704 1 95 . LEU . 18704 1 96 . GLY . 18704 1 97 . ASP . 18704 1 98 . VAL . 18704 1 99 . GLN . 18704 1 100 . LYS . 18704 1 101 . LYS . 18704 1 102 . ASN . 18704 1 103 . CYS . 18704 1 104 . SER . 18704 1 105 . LEU . 18704 1 106 . SER . 18704 1 107 . ILE . 18704 1 108 . GLY . 18704 1 109 . ASP . 18704 1 110 . ALA . 18704 1 111 . ARG . 18704 1 112 . MET . 18704 1 113 . GLU . 18704 1 114 . ASP . 18704 1 115 . THR . 18704 1 116 . GLY . 18704 1 117 . SER . 18704 1 118 . TYR . 18704 1 119 . PHE . 18704 1 120 . PHE . 18704 1 121 . ARG . 18704 1 122 . VAL . 18704 1 123 . GLU . 18704 1 124 . ARG . 18704 1 125 . GLY . 18704 1 126 . ARG . 18704 1 127 . ASP . 18704 1 128 . VAL . 18704 1 129 . LYS . 18704 1 130 . TYR . 18704 1 131 . SER . 18704 1 132 . TYR . 18704 1 133 . GLN . 18704 1 134 . GLN . 18704 1 135 . ASN . 18704 1 136 . LYS . 18704 1 137 . LEU . 18704 1 138 . ASN . 18704 1 139 . LEU . 18704 1 140 . GLU . 18704 1 141 . VAL . 18704 1 142 . THR . 18704 1 143 . ALA . 18704 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 . MET 1 1 18704 1 . GLY 2 2 18704 1 . SER 3 3 18704 1 . SER 4 4 18704 1 . HIS 5 5 18704 1 . HIS 6 6 18704 1 . HIS 7 7 18704 1 . HIS 8 8 18704 1 . HIS 9 9 18704 1 . HIS 10 10 18704 1 . SER 11 11 18704 1 . SER 12 12 18704 1 . GLY 13 13 18704 1 . LEU 14 14 18704 1 . VAL 15 15 18704 1 . PRO 16 16 18704 1 . ARG 17 17 18704 1 . GLY 18 18 18704 1 . SER 19 19 18704 1 . HIS 20 20 18704 1 . PRO 21 21 18704 1 . VAL 22 22 18704 1 . TYR 23 23 18704 1 . GLU 24 24 18704 1 . LEU 25 25 18704 1 . GLN 26 26 18704 1 . VAL 27 27 18704 1 . GLN 28 28 18704 1 . LYS 29 29 18704 1 . SER 30 30 18704 1 . VAL 31 31 18704 1 . THR 32 32 18704 1 . VAL 33 33 18704 1 . GLN 34 34 18704 1 . GLU 35 35 18704 1 . GLY 36 36 18704 1 . LEU 37 37 18704 1 . ALA 38 38 18704 1 . VAL 39 39 18704 1 . LEU 40 40 18704 1 . VAL 41 41 18704 1 . PRO 42 42 18704 1 . CYS 43 43 18704 1 . SER 44 44 18704 1 . PHE 45 45 18704 1 . SER 46 46 18704 1 . TYR 47 47 18704 1 . PRO 48 48 18704 1 . TRP 49 49 18704 1 . ARG 50 50 18704 1 . SER 51 51 18704 1 . TRP 52 52 18704 1 . TYR 53 53 18704 1 . SER 54 54 18704 1 . SER 55 55 18704 1 . PRO 56 56 18704 1 . PRO 57 57 18704 1 . LEU 58 58 18704 1 . TYR 59 59 18704 1 . VAL 60 60 18704 1 . TYR 61 61 18704 1 . TRP 62 62 18704 1 . PHE 63 63 18704 1 . ARG 64 64 18704 1 . ASP 65 65 18704 1 . GLY 66 66 18704 1 . GLU 67 67 18704 1 . ILE 68 68 18704 1 . PRO 69 69 18704 1 . TYR 70 70 18704 1 . TYR 71 71 18704 1 . ALA 72 72 18704 1 . GLU 73 73 18704 1 . VAL 74 74 18704 1 . VAL 75 75 18704 1 . ALA 76 76 18704 1 . THR 77 77 18704 1 . ASN 78 78 18704 1 . ASN 79 79 18704 1 . PRO 80 80 18704 1 . ASP 81 81 18704 1 . ARG 82 82 18704 1 . ARG 83 83 18704 1 . VAL 84 84 18704 1 . LYS 85 85 18704 1 . PRO 86 86 18704 1 . GLU 87 87 18704 1 . THR 88 88 18704 1 . GLN 89 89 18704 1 . GLY 90 90 18704 1 . ARG 91 91 18704 1 . PHE 92 92 18704 1 . ARG 93 93 18704 1 . LEU 94 94 18704 1 . LEU 95 95 18704 1 . GLY 96 96 18704 1 . ASP 97 97 18704 1 . VAL 98 98 18704 1 . GLN 99 99 18704 1 . LYS 100 100 18704 1 . LYS 101 101 18704 1 . ASN 102 102 18704 1 . CYS 103 103 18704 1 . SER 104 104 18704 1 . LEU 105 105 18704 1 . SER 106 106 18704 1 . ILE 107 107 18704 1 . GLY 108 108 18704 1 . ASP 109 109 18704 1 . ALA 110 110 18704 1 . ARG 111 111 18704 1 . MET 112 112 18704 1 . GLU 113 113 18704 1 . ASP 114 114 18704 1 . THR 115 115 18704 1 . GLY 116 116 18704 1 . SER 117 117 18704 1 . TYR 118 118 18704 1 . PHE 119 119 18704 1 . PHE 120 120 18704 1 . ARG 121 121 18704 1 . VAL 122 122 18704 1 . GLU 123 123 18704 1 . ARG 124 124 18704 1 . GLY 125 125 18704 1 . ARG 126 126 18704 1 . ASP 127 127 18704 1 . VAL 128 128 18704 1 . LYS 129 129 18704 1 . TYR 130 130 18704 1 . SER 131 131 18704 1 . TYR 132 132 18704 1 . GLN 133 133 18704 1 . GLN 134 134 18704 1 . ASN 135 135 18704 1 . LYS 136 136 18704 1 . LEU 137 137 18704 1 . ASN 138 138 18704 1 . LEU 139 139 18704 1 . GLU 140 140 18704 1 . VAL 141 141 18704 1 . THR 142 142 18704 1 . ALA 143 143 18704 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 18704 _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 $Siglec5 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18704 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 18704 _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 $Siglec5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21* DE3' . . . . . . . . . . . . . . . pet28b . . . 'refolded from inclusion bodies' . . 18704 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18704 _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 Siglec5 '[U-99% 13C; U-99% 15N]' . . 1 $Siglec5 . . . 0.2 0.4 mM . . . . 18704 1 2 Arg 'natural abundance' . . . . . . 50 . . mM . . . . 18704 1 3 Glu 'natural abundance' . . . . . . 50 . . mM . . . . 18704 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18704 1 5 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 18704 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18704 _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 Siglec5 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Siglec5 . . 0.2 . . mM . . . . 18704 2 2 Arg 'natural abundance' . . . . . . 50 . . mM . . . . 18704 2 3 Glu 'natural abundance' . . . . . . 50 . . mM . . . . 18704 2 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18704 2 5 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 18704 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18704 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM Arg, 50 mM Glu, 150 mM NaCl, 10 mM imidazole' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 260 . mM 18704 1 pH 6.5 . pH 18704 1 pressure 1 . atm 18704 1 temperature 273 . K 18704 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18704 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18704 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18704 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18704 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18704 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18704 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 18704 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18704 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18704 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18704 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18704 1 2 spectrometer_2 Varian INOVA . 800 . . . 18704 1 3 spectrometer_3 Varian VXRS . 900 . . . 18704 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 18704 _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 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18704 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18704 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18704 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18704 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18704 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18704 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 18704 _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 . . . . . . . . . 18704 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18704 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18704 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 18704 _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' . . . 18704 1 2 '3D HNCO' . . . 18704 1 3 '3D HNCA' . . . 18704 1 4 '3D HN(CO)CA' . . . 18704 1 5 '3D HNCACB' . . . 18704 1 6 '3D HN(COCA)CB' . . . 18704 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 178.2371 0.1 . 1 . . . . 1 MET C . 18704 1 2 . 1 1 2 2 GLY H H 1 8.6542 0.05 . 1 . . . . 2 GLY H . 18704 1 3 . 1 1 2 2 GLY C C 13 174.1457 0.1 . 1 . . . . 2 GLY C . 18704 1 4 . 1 1 2 2 GLY CA C 13 45.15 0.1 . 1 . . . . 2 GLY CA . 18704 1 5 . 1 1 2 2 GLY N N 15 110.6748 0.1 . 1 . . . . 2 GLY N . 18704 1 6 . 1 1 3 3 SER H H 1 8.2674 0.05 . 1 . . . . 3 SER H . 18704 1 7 . 1 1 3 3 SER C C 13 174.7 0.1 . 1 . . . . 3 SER C . 18704 1 8 . 1 1 3 3 SER CA C 13 58.74 0.1 . 1 . . . . 3 SER CA . 18704 1 9 . 1 1 3 3 SER CB C 13 66.1 0.5 . 1 . . . . 3 SER CB . 18704 1 10 . 1 1 3 3 SER N N 15 115.6886 0.1 . 1 . . . . 3 SER N . 18704 1 11 . 1 1 4 4 SER H H 1 8.49 0.05 . 1 . . . . 4 SER H . 18704 1 12 . 1 1 4 4 SER C C 13 174.1473 0.1 . 1 . . . . 4 SER C . 18704 1 13 . 1 1 4 4 SER CA C 13 58.74 0.1 . 1 . . . . 4 SER CA . 18704 1 14 . 1 1 4 4 SER CB C 13 66.03 0.5 . 1 . . . . 4 SER CB . 18704 1 15 . 1 1 4 4 SER N N 15 118.32 0.1 . 1 . . . . 4 SER N . 18704 1 16 . 1 1 5 5 HIS H H 1 8.4291 0.05 . 1 . . . . 5 HIS H . 18704 1 17 . 1 1 5 5 HIS C C 13 175.0927 0.1 . 1 . . . . 5 HIS C . 18704 1 18 . 1 1 5 5 HIS CA C 13 56.11 0.1 . 1 . . . . 5 HIS CA . 18704 1 19 . 1 1 5 5 HIS CB C 13 28.94 0.5 . 1 . . . . 5 HIS CB . 18704 1 20 . 1 1 5 5 HIS N N 15 121.3694 0.1 . 1 . . . . 5 HIS N . 18704 1 21 . 1 1 6 6 HIS H H 1 8.3728 0.05 . 1 . . . . 6 HIS H . 18704 1 22 . 1 1 6 6 HIS C C 13 175.0644 0.1 . 1 . . . . 6 HIS C . 18704 1 23 . 1 1 6 6 HIS CA C 13 56.37 0.1 . 1 . . . . 6 HIS CA . 18704 1 24 . 1 1 6 6 HIS CB C 13 28.94 0.5 . 1 . . . . 6 HIS CB . 18704 1 25 . 1 1 6 6 HIS N N 15 121.2223 0.1 . 1 . . . . 6 HIS N . 18704 1 26 . 1 1 7 7 HIS H H 1 8.3017 0.05 . 1 . . . . 7 HIS H . 18704 1 27 . 1 1 7 7 HIS CA C 13 56.23 0.1 . 1 . . . . 7 HIS CA . 18704 1 28 . 1 1 7 7 HIS CB C 13 29.02 0.5 . 1 . . . . 7 HIS CB . 18704 1 29 . 1 1 7 7 HIS N N 15 120.99 0.1 . 1 . . . . 7 HIS N . 18704 1 30 . 1 1 12 12 SER C C 13 174.9827 0.1 . 1 . . . . 12 SER C . 18704 1 31 . 1 1 12 12 SER CA C 13 58.76 0.1 . 1 . . . . 12 SER CA . 18704 1 32 . 1 1 12 12 SER CB C 13 66.18 0.5 . 1 . . . . 12 SER CB . 18704 1 33 . 1 1 13 13 GLY H H 1 8.4066 0.05 . 1 . . . . 13 GLY H . 18704 1 34 . 1 1 13 13 GLY C C 13 173.8155 0.1 . 1 . . . . 13 GLY C . 18704 1 35 . 1 1 13 13 GLY CA C 13 45.22 0.1 . 1 . . . . 13 GLY CA . 18704 1 36 . 1 1 13 13 GLY N N 15 110.6202 0.1 . 1 . . . . 13 GLY N . 18704 1 37 . 1 1 14 14 LEU H H 1 8.0799 0.05 . 1 . . . . 14 LEU H . 18704 1 38 . 1 1 14 14 LEU CA C 13 55.1 0.1 . 1 . . . . 14 LEU CA . 18704 1 39 . 1 1 14 14 LEU CB C 13 41.45 0.5 . 1 . . . . 14 LEU CB . 18704 1 40 . 1 1 14 14 LEU N N 15 121.5205 0.1 . 1 . . . . 14 LEU N . 18704 1 41 . 1 1 15 15 VAL H H 1 7.8522 0.05 . 1 . . . . 15 VAL H . 18704 1 42 . 1 1 15 15 VAL CA C 13 59.04 0.1 . 1 . . . . 15 VAL CA . 18704 1 43 . 1 1 15 15 VAL CB C 13 32.62 0.5 . 1 . . . . 15 VAL CB . 18704 1 44 . 1 1 15 15 VAL N N 15 119.2292 0.1 . 1 . . . . 15 VAL N . 18704 1 45 . 1 1 16 16 PRO C C 13 176.8678 0.1 . 1 . . . . 16 PRO C . 18704 1 46 . 1 1 16 16 PRO CA C 13 63.07 0.1 . 1 . . . . 16 PRO CA . 18704 1 47 . 1 1 16 16 PRO CB C 13 30.32 0.5 . 1 . . . . 16 PRO CB . 18704 1 48 . 1 1 17 17 ARG H H 1 8.5528 0.05 . 1 . . . . 17 ARG H . 18704 1 49 . 1 1 17 17 ARG C C 13 177.0198 0.1 . 1 . . . . 17 ARG C . 18704 1 50 . 1 1 17 17 ARG CA C 13 56.49 0.1 . 1 . . . . 17 ARG CA . 18704 1 51 . 1 1 17 17 ARG CB C 13 28.8 0.5 . 1 . . . . 17 ARG CB . 18704 1 52 . 1 1 17 17 ARG N N 15 122.2421 0.1 . 1 . . . . 17 ARG N . 18704 1 53 . 1 1 18 18 GLY H H 1 8.5422 0.05 . 1 . . . . 18 GLY H . 18704 1 54 . 1 1 18 18 GLY CA C 13 45.34 0.1 . 1 . . . . 18 GLY CA . 18704 1 55 . 1 1 18 18 GLY N N 15 110.5882 0.1 . 1 . . . . 18 GLY N . 18704 1 56 . 1 1 21 21 PRO C C 13 176.1949 0.1 . 1 . . . . 21 PRO C . 18704 1 57 . 1 1 21 21 PRO CA C 13 62.92 0.1 . 1 . . . . 21 PRO CA . 18704 1 58 . 1 1 21 21 PRO CB C 13 30.32 0.5 . 1 . . . . 21 PRO CB . 18704 1 59 . 1 1 22 22 VAL H H 1 8.0112 0.05 . 1 . . . . 22 VAL H . 18704 1 60 . 1 1 22 22 VAL C C 13 175.7235 0.1 . 1 . . . . 22 VAL C . 18704 1 61 . 1 1 22 22 VAL CA C 13 61.3 0.1 . 1 . . . . 22 VAL CA . 18704 1 62 . 1 1 22 22 VAL CB C 13 31.63 0.5 . 1 . . . . 22 VAL CB . 18704 1 63 . 1 1 22 22 VAL N N 15 116.9208 0.1 . 1 . . . . 22 VAL N . 18704 1 64 . 1 1 23 23 TYR H H 1 7.9818 0.05 . 1 . . . . 23 TYR H . 18704 1 65 . 1 1 23 23 TYR C C 13 175.8402 0.1 . 1 . . . . 23 TYR C . 18704 1 66 . 1 1 23 23 TYR CA C 13 58.24 0.1 . 1 . . . . 23 TYR CA . 18704 1 67 . 1 1 23 23 TYR CB C 13 38.23 0.5 . 1 . . . . 23 TYR CB . 18704 1 68 . 1 1 23 23 TYR N N 15 120.2552 0.1 . 1 . . . . 23 TYR N . 18704 1 69 . 1 1 24 24 GLU H H 1 8.3358 0.05 . 1 . . . . 24 GLU H . 18704 1 70 . 1 1 24 24 GLU C C 13 173.0599 0.1 . 1 . . . . 24 GLU C . 18704 1 71 . 1 1 24 24 GLU CA C 13 55.57 0.1 . 1 . . . . 24 GLU CA . 18704 1 72 . 1 1 24 24 GLU CB C 13 32.55 0.5 . 1 . . . . 24 GLU CB . 18704 1 73 . 1 1 24 24 GLU N N 15 123.6076 0.1 . 1 . . . . 24 GLU N . 18704 1 74 . 1 1 25 25 LEU H H 1 8.7651 0.05 . 1 . . . . 25 LEU H . 18704 1 75 . 1 1 25 25 LEU C C 13 175.056 0.1 . 1 . . . . 25 LEU C . 18704 1 76 . 1 1 25 25 LEU CA C 13 54.66 0.1 . 1 . . . . 25 LEU CA . 18704 1 77 . 1 1 25 25 LEU CB C 13 45.45 0.5 . 1 . . . . 25 LEU CB . 18704 1 78 . 1 1 25 25 LEU N N 15 127.2602 0.1 . 1 . . . . 25 LEU N . 18704 1 79 . 1 1 26 26 GLN H H 1 9.0624 0.05 . 1 . . . . 26 GLN H . 18704 1 80 . 1 1 26 26 GLN C C 13 173.28 0.1 . 1 . . . . 26 GLN C . 18704 1 81 . 1 1 26 26 GLN CA C 13 54.77 0.1 . 1 . . . . 26 GLN CA . 18704 1 82 . 1 1 26 26 GLN CB C 13 27.02 0.5 . 1 . . . . 26 GLN CB . 18704 1 83 . 1 1 26 26 GLN N N 15 125.8916 0.1 . 1 . . . . 26 GLN N . 18704 1 84 . 1 1 27 27 VAL H H 1 8.1938 0.05 . 1 . . . . 27 VAL H . 18704 1 85 . 1 1 27 27 VAL C C 13 172.7108 0.1 . 1 . . . . 27 VAL C . 18704 1 86 . 1 1 27 27 VAL CA C 13 60.42 0.1 . 1 . . . . 27 VAL CA . 18704 1 87 . 1 1 27 27 VAL CB C 13 33.32 0.5 . 1 . . . . 27 VAL CB . 18704 1 88 . 1 1 27 27 VAL N N 15 124.6171 0.1 . 1 . . . . 27 VAL N . 18704 1 89 . 1 1 28 28 GLN H H 1 8.7163 0.05 . 1 . . . . 28 GLN H . 18704 1 90 . 1 1 28 28 GLN C C 13 173.2569 0.1 . 1 . . . . 28 GLN C . 18704 1 91 . 1 1 28 28 GLN CA C 13 56.09 0.1 . 1 . . . . 28 GLN CA . 18704 1 92 . 1 1 28 28 GLN CB C 13 27.94 0.5 . 1 . . . . 28 GLN CB . 18704 1 93 . 1 1 28 28 GLN N N 15 127.8186 0.1 . 1 . . . . 28 GLN N . 18704 1 94 . 1 1 29 29 LYS H H 1 8.0827 0.05 . 1 . . . . 29 LYS H . 18704 1 95 . 1 1 29 29 LYS C C 13 178.031 0.1 . 1 . . . . 29 LYS C . 18704 1 96 . 1 1 29 29 LYS CA C 13 58.33 0.1 . 1 . . . . 29 LYS CA . 18704 1 97 . 1 1 29 29 LYS CB C 13 31.7 0.5 . 1 . . . . 29 LYS CB . 18704 1 98 . 1 1 29 29 LYS N N 15 118.0434 0.1 . 1 . . . . 29 LYS N . 18704 1 99 . 1 1 30 30 SER H H 1 7.8225 0.05 . 1 . . . . 30 SER H . 18704 1 100 . 1 1 30 30 SER C C 13 173.2706 0.1 . 1 . . . . 30 SER C . 18704 1 101 . 1 1 30 30 SER CA C 13 56.46 0.1 . 1 . . . . 30 SER CA . 18704 1 102 . 1 1 30 30 SER CB C 13 67.48 0.5 . 1 . . . . 30 SER CB . 18704 1 103 . 1 1 30 30 SER N N 15 111.2943 0.1 . 1 . . . . 30 SER N . 18704 1 104 . 1 1 31 31 VAL H H 1 8.7778 0.05 . 1 . . . . 31 VAL H . 18704 1 105 . 1 1 31 31 VAL C C 13 173.0021 0.1 . 1 . . . . 31 VAL C . 18704 1 106 . 1 1 31 31 VAL CA C 13 60.91 0.1 . 1 . . . . 31 VAL CA . 18704 1 107 . 1 1 31 31 VAL CB C 13 34.24 0.5 . 1 . . . . 31 VAL CB . 18704 1 108 . 1 1 31 31 VAL N N 15 126.2599 0.1 . 1 . . . . 31 VAL N . 18704 1 109 . 1 1 32 32 THR H H 1 8.3808 0.05 . 1 . . . . 32 THR H . 18704 1 110 . 1 1 32 32 THR C C 13 172.4906 0.1 . 1 . . . . 32 THR C . 18704 1 111 . 1 1 32 32 THR CA C 13 59.9 0.1 . 1 . . . . 32 THR CA . 18704 1 112 . 1 1 32 32 THR CB C 13 73.63 0.5 . 1 . . . . 32 THR CB . 18704 1 113 . 1 1 32 32 THR N N 15 122.7773 0.1 . 1 . . . . 32 THR N . 18704 1 114 . 1 1 33 33 VAL H H 1 8.5853 0.05 . 1 . . . . 33 VAL H . 18704 1 115 . 1 1 33 33 VAL C C 13 171.3551 0.1 . 1 . . . . 33 VAL C . 18704 1 116 . 1 1 33 33 VAL CA C 13 59.27 0.1 . 1 . . . . 33 VAL CA . 18704 1 117 . 1 1 33 33 VAL CB C 13 33.24 0.5 . 1 . . . . 33 VAL CB . 18704 1 118 . 1 1 33 33 VAL N N 15 124.4706 0.1 . 1 . . . . 33 VAL N . 18704 1 119 . 1 1 34 34 GLN H H 1 7.9558 0.05 . 1 . . . . 34 GLN H . 18704 1 120 . 1 1 34 34 GLN C C 13 175.2748 0.1 . 1 . . . . 34 GLN C . 18704 1 121 . 1 1 34 34 GLN CA C 13 55.31 0.1 . 1 . . . . 34 GLN CA . 18704 1 122 . 1 1 34 34 GLN CB C 13 27.94 0.5 . 1 . . . . 34 GLN CB . 18704 1 123 . 1 1 34 34 GLN N N 15 126.8168 0.1 . 1 . . . . 34 GLN N . 18704 1 124 . 1 1 35 35 GLU H H 1 8.8271 0.05 . 1 . . . . 35 GLU H . 18704 1 125 . 1 1 35 35 GLU C C 13 176.7282 0.1 . 1 . . . . 35 GLU C . 18704 1 126 . 1 1 35 35 GLU CA C 13 58.1 0.1 . 1 . . . . 35 GLU CA . 18704 1 127 . 1 1 35 35 GLU CB C 13 27.72 0.5 . 1 . . . . 35 GLU CB . 18704 1 128 . 1 1 35 35 GLU N N 15 123.6322 0.1 . 1 . . . . 35 GLU N . 18704 1 129 . 1 1 36 36 GLY H H 1 9.8623 0.05 . 1 . . . . 36 GLY H . 18704 1 130 . 1 1 36 36 GLY C C 13 174.5066 0.1 . 1 . . . . 36 GLY C . 18704 1 131 . 1 1 36 36 GLY CA C 13 44.77 0.1 . 1 . . . . 36 GLY CA . 18704 1 132 . 1 1 36 36 GLY N N 15 114.7544 0.1 . 1 . . . . 36 GLY N . 18704 1 133 . 1 1 37 37 LEU H H 1 8.0967 0.05 . 1 . . . . 37 LEU H . 18704 1 134 . 1 1 37 37 LEU C C 13 173.6405 0.1 . 1 . . . . 37 LEU C . 18704 1 135 . 1 1 37 37 LEU CA C 13 54.05 0.1 . 1 . . . . 37 LEU CA . 18704 1 136 . 1 1 37 37 LEU CB C 13 40.46 0.5 . 1 . . . . 37 LEU CB . 18704 1 137 . 1 1 37 37 LEU N N 15 122.9566 0.1 . 1 . . . . 37 LEU N . 18704 1 138 . 1 1 38 38 ALA H H 1 7.4527 0.05 . 1 . . . . 38 ALA H . 18704 1 139 . 1 1 38 38 ALA C C 13 177.7215 0.1 . 1 . . . . 38 ALA C . 18704 1 140 . 1 1 38 38 ALA CA C 13 49.85 0.1 . 1 . . . . 38 ALA CA . 18704 1 141 . 1 1 38 38 ALA CB C 13 19.8 0.5 . 1 . . . . 38 ALA CB . 18704 1 142 . 1 1 38 38 ALA N N 15 117.8063 0.1 . 1 . . . . 38 ALA N . 18704 1 143 . 1 1 39 39 VAL H H 1 8.9083 0.05 . 1 . . . . 39 VAL H . 18704 1 144 . 1 1 39 39 VAL C C 13 171.1513 0.1 . 1 . . . . 39 VAL C . 18704 1 145 . 1 1 39 39 VAL CA C 13 60.25 0.1 . 1 . . . . 39 VAL CA . 18704 1 146 . 1 1 39 39 VAL CB C 13 33.94 0.5 . 1 . . . . 39 VAL CB . 18704 1 147 . 1 1 39 39 VAL N N 15 118.3668 0.1 . 1 . . . . 39 VAL N . 18704 1 148 . 1 1 40 40 LEU H H 1 8.1898 0.05 . 1 . . . . 40 LEU H . 18704 1 149 . 1 1 40 40 LEU C C 13 175.582 0.1 . 1 . . . . 40 LEU C . 18704 1 150 . 1 1 40 40 LEU CA C 13 53.53 0.1 . 1 . . . . 40 LEU CA . 18704 1 151 . 1 1 40 40 LEU CB C 13 42.61 0.5 . 1 . . . . 40 LEU CB . 18704 1 152 . 1 1 40 40 LEU N N 15 128.5528 0.1 . 1 . . . . 40 LEU N . 18704 1 153 . 1 1 41 41 VAL H H 1 9.1739 0.05 . 1 . . . . 41 VAL H . 18704 1 154 . 1 1 41 41 VAL CA C 13 59.36 0.1 . 1 . . . . 41 VAL CA . 18704 1 155 . 1 1 41 41 VAL CB C 13 30.94 0.5 . 1 . . . . 41 VAL CB . 18704 1 156 . 1 1 41 41 VAL N N 15 127.875 0.1 . 1 . . . . 41 VAL N . 18704 1 157 . 1 1 42 42 PRO C C 13 176.525 0.1 . 1 . . . . 42 PRO C . 18704 1 158 . 1 1 42 42 PRO CA C 13 62.21 0.1 . 1 . . . . 42 PRO CA . 18704 1 159 . 1 1 42 42 PRO CB C 13 30.48 0.5 . 1 . . . . 42 PRO CB . 18704 1 160 . 1 1 43 43 CYS H H 1 8.0968 0.05 . 1 . . . . 43 CYS H . 18704 1 161 . 1 1 43 43 CYS C C 13 174.505 0.1 . 1 . . . . 43 CYS C . 18704 1 162 . 1 1 43 43 CYS CA C 13 55.69 0.1 . 1 . . . . 43 CYS CA . 18704 1 163 . 1 1 43 43 CYS CB C 13 40.15 0.5 . 1 . . . . 43 CYS CB . 18704 1 164 . 1 1 43 43 CYS N N 15 123.5012 0.1 . 1 . . . . 43 CYS N . 18704 1 165 . 1 1 44 44 SER H H 1 8.8556 0.05 . 1 . . . . 44 SER H . 18704 1 166 . 1 1 44 44 SER C C 13 172.2466 0.1 . 1 . . . . 44 SER C . 18704 1 167 . 1 1 44 44 SER CA C 13 57.87 0.1 . 1 . . . . 44 SER CA . 18704 1 168 . 1 1 44 44 SER CB C 13 68.64 0.5 . 1 . . . . 44 SER CB . 18704 1 169 . 1 1 44 44 SER N N 15 127.0602 0.1 . 1 . . . . 44 SER N . 18704 1 170 . 1 1 45 45 PHE H H 1 8.334 0.05 . 1 . . . . 45 PHE H . 18704 1 171 . 1 1 45 45 PHE C C 13 173.4646 0.1 . 1 . . . . 45 PHE C . 18704 1 172 . 1 1 45 45 PHE CA C 13 55.51 0.1 . 1 . . . . 45 PHE CA . 18704 1 173 . 1 1 45 45 PHE CB C 13 42 0.5 . 1 . . . . 45 PHE CB . 18704 1 174 . 1 1 45 45 PHE N N 15 119.2508 0.1 . 1 . . . . 45 PHE N . 18704 1 175 . 1 1 46 46 SER H H 1 9.3751 0.05 . 1 . . . . 46 SER H . 18704 1 176 . 1 1 46 46 SER C C 13 173.2888 0.1 . 1 . . . . 46 SER C . 18704 1 177 . 1 1 46 46 SER CA C 13 57.09 0.1 . 1 . . . . 46 SER CA . 18704 1 178 . 1 1 46 46 SER CB C 13 68.8 0.5 . 1 . . . . 46 SER CB . 18704 1 179 . 1 1 46 46 SER N N 15 113.837 0.1 . 1 . . . . 46 SER N . 18704 1 180 . 1 1 47 47 TYR H H 1 8.0249 0.05 . 1 . . . . 47 TYR H . 18704 1 181 . 1 1 47 47 TYR CA C 13 54.88 0.1 . 1 . . . . 47 TYR CA . 18704 1 182 . 1 1 47 47 TYR CB C 13 38.31 0.5 . 1 . . . . 47 TYR CB . 18704 1 183 . 1 1 47 47 TYR N N 15 124.0384 0.1 . 1 . . . . 47 TYR N . 18704 1 184 . 1 1 57 57 PRO C C 13 175.0222 0.1 . 1 . . . . 57 PRO C . 18704 1 185 . 1 1 57 57 PRO CA C 13 62.67 0.1 . 1 . . . . 57 PRO CA . 18704 1 186 . 1 1 57 57 PRO CB C 13 29.71 0.5 . 1 . . . . 57 PRO CB . 18704 1 187 . 1 1 58 58 LEU H H 1 7.961 0.05 . 1 . . . . 58 LEU H . 18704 1 188 . 1 1 58 58 LEU C C 13 174.8353 0.1 . 1 . . . . 58 LEU C . 18704 1 189 . 1 1 58 58 LEU CA C 13 54.08 0.1 . 1 . . . . 58 LEU CA . 18704 1 190 . 1 1 58 58 LEU CB C 13 41.76 0.5 . 1 . . . . 58 LEU CB . 18704 1 191 . 1 1 58 58 LEU N N 15 122.9225 0.1 . 1 . . . . 58 LEU N . 18704 1 192 . 1 1 59 59 TYR H H 1 9.0645 0.05 . 1 . . . . 59 TYR H . 18704 1 193 . 1 1 59 59 TYR C C 13 173.5614 0.1 . 1 . . . . 59 TYR C . 18704 1 194 . 1 1 59 59 TYR CA C 13 54.51 0.1 . 1 . . . . 59 TYR CA . 18704 1 195 . 1 1 59 59 TYR CB C 13 40.23 0.5 . 1 . . . . 59 TYR CB . 18704 1 196 . 1 1 59 59 TYR N N 15 128.8564 0.1 . 1 . . . . 59 TYR N . 18704 1 197 . 1 1 60 60 VAL H H 1 8.5843 0.05 . 1 . . . . 60 VAL H . 18704 1 198 . 1 1 60 60 VAL C C 13 175.0002 0.1 . 1 . . . . 60 VAL C . 18704 1 199 . 1 1 60 60 VAL CA C 13 56.8 0.1 . 1 . . . . 60 VAL CA . 18704 1 200 . 1 1 60 60 VAL CB C 13 32.24 0.5 . 1 . . . . 60 VAL CB . 18704 1 201 . 1 1 60 60 VAL N N 15 111.7052 0.1 . 1 . . . . 60 VAL N . 18704 1 202 . 1 1 61 61 TYR H H 1 8.0812 0.05 . 1 . . . . 61 TYR H . 18704 1 203 . 1 1 61 61 TYR C C 13 174.2862 0.1 . 1 . . . . 61 TYR C . 18704 1 204 . 1 1 61 61 TYR CA C 13 56.1 0.1 . 1 . . . . 61 TYR CA . 18704 1 205 . 1 1 61 61 TYR CB C 13 44 0.5 . 1 . . . . 61 TYR CB . 18704 1 206 . 1 1 61 61 TYR N N 15 117.5346 0.1 . 1 . . . . 61 TYR N . 18704 1 207 . 1 1 62 62 TRP H H 1 9.026 0.05 . 1 . . . . 62 TRP H . 18704 1 208 . 1 1 62 62 TRP C C 13 174.2525 0.1 . 1 . . . . 62 TRP C . 18704 1 209 . 1 1 62 62 TRP CA C 13 57.46 0.1 . 1 . . . . 62 TRP CA . 18704 1 210 . 1 1 62 62 TRP CB C 13 31.24 0.5 . 1 . . . . 62 TRP CB . 18704 1 211 . 1 1 62 62 TRP N N 15 119.8051 0.1 . 1 . . . . 62 TRP N . 18704 1 212 . 1 1 63 63 PHE H H 1 8.4096 0.05 . 1 . . . . 63 PHE H . 18704 1 213 . 1 1 63 63 PHE C C 13 175.445 0.1 . 1 . . . . 63 PHE C . 18704 1 214 . 1 1 63 63 PHE CB C 13 32.63 0.5 . 1 . . . . 63 PHE CB . 18704 1 215 . 1 1 63 63 PHE N N 15 127.4601 0.1 . 1 . . . . 63 PHE N . 18704 1 216 . 1 1 64 64 ARG H H 1 8.543 0.05 . 1 . . . . 64 ARG H . 18704 1 217 . 1 1 64 64 ARG C C 13 176.4121 0.1 . 1 . . . . 64 ARG C . 18704 1 218 . 1 1 64 64 ARG CA C 13 55.6 0.1 . 1 . . . . 64 ARG CA . 18704 1 219 . 1 1 64 64 ARG CB C 13 30.71 0.5 . 1 . . . . 64 ARG CB . 18704 1 220 . 1 1 64 64 ARG N N 15 126.9897 0.1 . 1 . . . . 64 ARG N . 18704 1 221 . 1 1 65 65 ASP H H 1 9.0814 0.05 . 1 . . . . 65 ASP H . 18704 1 222 . 1 1 65 65 ASP C C 13 177.1917 0.1 . 1 . . . . 65 ASP C . 18704 1 223 . 1 1 65 65 ASP CA C 13 55.83 0.1 . 1 . . . . 65 ASP CA . 18704 1 224 . 1 1 65 65 ASP CB C 13 41.15 0.5 . 1 . . . . 65 ASP CB . 18704 1 225 . 1 1 65 65 ASP N N 15 128.4559 0.1 . 1 . . . . 65 ASP N . 18704 1 226 . 1 1 66 66 GLY H H 1 8.5305 0.05 . 1 . . . . 66 GLY H . 18704 1 227 . 1 1 66 66 GLY C C 13 174.1093 0.1 . 1 . . . . 66 GLY C . 18704 1 228 . 1 1 66 66 GLY CA C 13 44.22 0.1 . 1 . . . . 66 GLY CA . 18704 1 229 . 1 1 66 66 GLY N N 15 109.2509 0.1 . 1 . . . . 66 GLY N . 18704 1 230 . 1 1 67 67 GLU H H 1 8.9354 0.05 . 1 . . . . 67 GLU H . 18704 1 231 . 1 1 67 67 GLU C C 13 176.851 0.1 . 1 . . . . 67 GLU C . 18704 1 232 . 1 1 67 67 GLU CA C 13 58.44 0.1 . 1 . . . . 67 GLU CA . 18704 1 233 . 1 1 67 67 GLU CB C 13 28.02 0.5 . 1 . . . . 67 GLU CB . 18704 1 234 . 1 1 67 67 GLU N N 15 120.2341 0.1 . 1 . . . . 67 GLU N . 18704 1 235 . 1 1 68 68 ILE H H 1 7.6425 0.05 . 1 . . . . 68 ILE H . 18704 1 236 . 1 1 68 68 ILE CA C 13 58.15 0.1 . 1 . . . . 68 ILE CA . 18704 1 237 . 1 1 68 68 ILE CB C 13 37.85 0.5 . 1 . . . . 68 ILE CB . 18704 1 238 . 1 1 68 68 ILE N N 15 115.8294 0.1 . 1 . . . . 68 ILE N . 18704 1 239 . 1 1 69 69 PRO C C 13 177.1719 0.1 . 1 . . . . 69 PRO C . 18704 1 240 . 1 1 69 69 PRO CA C 13 64.91 0.1 . 1 . . . . 69 PRO CA . 18704 1 241 . 1 1 69 69 PRO CB C 13 29.71 0.5 . 1 . . . . 69 PRO CB . 18704 1 242 . 1 1 70 70 TYR H H 1 7.8692 0.05 . 1 . . . . 70 TYR H . 18704 1 243 . 1 1 70 70 TYR C C 13 175.3964 0.1 . 1 . . . . 70 TYR C . 18704 1 244 . 1 1 70 70 TYR CA C 13 59.39 0.1 . 1 . . . . 70 TYR CA . 18704 1 245 . 1 1 70 70 TYR CB C 13 35.62 0.5 . 1 . . . . 70 TYR CB . 18704 1 246 . 1 1 70 70 TYR N N 15 114.8034 0.1 . 1 . . . . 70 TYR N . 18704 1 247 . 1 1 71 71 TYR H H 1 7.7938 0.05 . 1 . . . . 71 TYR H . 18704 1 248 . 1 1 71 71 TYR C C 13 174.794 0.1 . 1 . . . . 71 TYR C . 18704 1 249 . 1 1 71 71 TYR CA C 13 57.1 0.1 . 1 . . . . 71 TYR CA . 18704 1 250 . 1 1 71 71 TYR CB C 13 38.54 0.5 . 1 . . . . 71 TYR CB . 18704 1 251 . 1 1 71 71 TYR N N 15 118.0034 0.1 . 1 . . . . 71 TYR N . 18704 1 252 . 1 1 72 72 ALA H H 1 7.7396 0.05 . 1 . . . . 72 ALA H . 18704 1 253 . 1 1 72 72 ALA C C 13 176.5428 0.1 . 1 . . . . 72 ALA C . 18704 1 254 . 1 1 72 72 ALA CA C 13 52.64 0.1 . 1 . . . . 72 ALA CA . 18704 1 255 . 1 1 72 72 ALA CB C 13 18.04 0.5 . 1 . . . . 72 ALA CB . 18704 1 256 . 1 1 72 72 ALA N N 15 125.8173 0.1 . 1 . . . . 72 ALA N . 18704 1 257 . 1 1 73 73 GLU H H 1 8.4061 0.05 . 1 . . . . 73 GLU H . 18704 1 258 . 1 1 73 73 GLU C C 13 175.1977 0.1 . 1 . . . . 73 GLU C . 18704 1 259 . 1 1 73 73 GLU CA C 13 54.71 0.1 . 1 . . . . 73 GLU CA . 18704 1 260 . 1 1 73 73 GLU CB C 13 32.16 0.5 . 1 . . . . 73 GLU CB . 18704 1 261 . 1 1 73 73 GLU N N 15 120.0714 0.1 . 1 . . . . 73 GLU N . 18704 1 262 . 1 1 74 74 VAL H H 1 8.7693 0.05 . 1 . . . . 74 VAL H . 18704 1 263 . 1 1 74 74 VAL C C 13 175.5278 0.1 . 1 . . . . 74 VAL C . 18704 1 264 . 1 1 74 74 VAL CA C 13 63.27 0.1 . 1 . . . . 74 VAL CA . 18704 1 265 . 1 1 74 74 VAL CB C 13 30.24 0.5 . 1 . . . . 74 VAL CB . 18704 1 266 . 1 1 74 74 VAL N N 15 125.3235 0.1 . 1 . . . . 74 VAL N . 18704 1 267 . 1 1 75 75 VAL H H 1 9.1528 0.05 . 1 . . . . 75 VAL H . 18704 1 268 . 1 1 75 75 VAL C C 13 175.2489 0.1 . 1 . . . . 75 VAL C . 18704 1 269 . 1 1 75 75 VAL CA C 13 63.44 0.1 . 1 . . . . 75 VAL CA . 18704 1 270 . 1 1 75 75 VAL CB C 13 30.48 0.5 . 1 . . . . 75 VAL CB . 18704 1 271 . 1 1 75 75 VAL N N 15 117.9552 0.1 . 1 . . . . 75 VAL N . 18704 1 272 . 1 1 76 76 ALA H H 1 7.5926 0.05 . 1 . . . . 76 ALA H . 18704 1 273 . 1 1 76 76 ALA C C 13 174.7777 0.1 . 1 . . . . 76 ALA C . 18704 1 274 . 1 1 76 76 ALA CA C 13 52.24 0.1 . 1 . . . . 76 ALA CA . 18704 1 275 . 1 1 76 76 ALA CB C 13 18.8 0.5 . 1 . . . . 76 ALA CB . 18704 1 276 . 1 1 76 76 ALA N N 15 120.529 0.1 . 1 . . . . 76 ALA N . 18704 1 277 . 1 1 77 77 THR H H 1 9.1772 0.05 . 1 . . . . 77 THR H . 18704 1 278 . 1 1 77 77 THR C C 13 170.5802 0.1 . 1 . . . . 77 THR C . 18704 1 279 . 1 1 77 77 THR CA C 13 60.1 0.1 . 1 . . . . 77 THR CA . 18704 1 280 . 1 1 77 77 THR CB C 13 70.63 0.5 . 1 . . . . 77 THR CB . 18704 1 281 . 1 1 77 77 THR N N 15 115.969 0.1 . 1 . . . . 77 THR N . 18704 1 282 . 1 1 78 78 ASN H H 1 7.7569 0.05 . 1 . . . . 78 ASN H . 18704 1 283 . 1 1 78 78 ASN C C 13 174.9801 0.1 . 1 . . . . 78 ASN C . 18704 1 284 . 1 1 78 78 ASN CA C 13 52.7 0.1 . 1 . . . . 78 ASN CA . 18704 1 285 . 1 1 78 78 ASN CB C 13 37.47 0.5 . 1 . . . . 78 ASN CB . 18704 1 286 . 1 1 78 78 ASN N N 15 123.1611 0.1 . 1 . . . . 78 ASN N . 18704 1 287 . 1 1 79 79 ASN H H 1 8.8516 0.05 . 1 . . . . 79 ASN H . 18704 1 288 . 1 1 79 79 ASN CA C 13 50.28 0.1 . 1 . . . . 79 ASN CA . 18704 1 289 . 1 1 79 79 ASN CB C 13 37.7 0.5 . 1 . . . . 79 ASN CB . 18704 1 290 . 1 1 79 79 ASN N N 15 123.9361 0.1 . 1 . . . . 79 ASN N . 18704 1 291 . 1 1 89 89 GLN C C 13 176.6532 0.1 . 1 . . . . 89 GLN C . 18704 1 292 . 1 1 90 90 GLY H H 1 8.2686 0.05 . 1 . . . . 90 GLY H . 18704 1 293 . 1 1 90 90 GLY C C 13 172.3476 0.1 . 1 . . . . 90 GLY C . 18704 1 294 . 1 1 90 90 GLY CA C 13 44.46 0.1 . 1 . . . . 90 GLY CA . 18704 1 295 . 1 1 90 90 GLY N N 15 108.446 0.1 . 1 . . . . 90 GLY N . 18704 1 296 . 1 1 91 91 ARG H H 1 8.3064 0.05 . 1 . . . . 91 ARG H . 18704 1 297 . 1 1 91 91 ARG C C 13 175.5092 0.1 . 1 . . . . 91 ARG C . 18704 1 298 . 1 1 91 91 ARG CA C 13 54.71 0.1 . 1 . . . . 91 ARG CA . 18704 1 299 . 1 1 91 91 ARG CB C 13 29.17 0.5 . 1 . . . . 91 ARG CB . 18704 1 300 . 1 1 91 91 ARG N N 15 121.9775 0.1 . 1 . . . . 91 ARG N . 18704 1 301 . 1 1 92 92 PHE H H 1 8.2948 0.05 . 1 . . . . 92 PHE H . 18704 1 302 . 1 1 92 92 PHE CA C 13 60.04 0.1 . 1 . . . . 92 PHE CA . 18704 1 303 . 1 1 92 92 PHE CB C 13 37.77 0.5 . 1 . . . . 92 PHE CB . 18704 1 304 . 1 1 92 92 PHE N N 15 124.2811 0.1 . 1 . . . . 92 PHE N . 18704 1 305 . 1 1 93 93 ARG C C 13 175.0206 0.1 . 1 . . . . 93 ARG C . 18704 1 306 . 1 1 94 94 LEU H H 1 8.7418 0.05 . 1 . . . . 94 LEU H . 18704 1 307 . 1 1 94 94 LEU C C 13 176.5153 0.1 . 1 . . . . 94 LEU C . 18704 1 308 . 1 1 94 94 LEU CA C 13 54.68 0.1 . 1 . . . . 94 LEU CA . 18704 1 309 . 1 1 94 94 LEU CB C 13 40.23 0.5 . 1 . . . . 94 LEU CB . 18704 1 310 . 1 1 94 94 LEU N N 15 124.7608 0.1 . 1 . . . . 94 LEU N . 18704 1 311 . 1 1 95 95 LEU H H 1 8.1354 0.05 . 1 . . . . 95 LEU H . 18704 1 312 . 1 1 95 95 LEU C C 13 177.2311 0.1 . 1 . . . . 95 LEU C . 18704 1 313 . 1 1 95 95 LEU CA C 13 54.62 0.1 . 1 . . . . 95 LEU CA . 18704 1 314 . 1 1 95 95 LEU CB C 13 43.22 0.5 . 1 . . . . 95 LEU CB . 18704 1 315 . 1 1 95 95 LEU N N 15 124.6596 0.1 . 1 . . . . 95 LEU N . 18704 1 316 . 1 1 96 96 GLY H H 1 8.6627 0.05 . 1 . . . . 96 GLY H . 18704 1 317 . 1 1 96 96 GLY C C 13 172.4239 0.1 . 1 . . . . 96 GLY C . 18704 1 318 . 1 1 96 96 GLY CA C 13 44.17 0.1 . 1 . . . . 96 GLY CA . 18704 1 319 . 1 1 96 96 GLY N N 15 108.8927 0.1 . 1 . . . . 96 GLY N . 18704 1 320 . 1 1 97 97 ASP H H 1 8.4462 0.05 . 1 . . . . 97 ASP H . 18704 1 321 . 1 1 97 97 ASP C C 13 178.2377 0.1 . 1 . . . . 97 ASP C . 18704 1 322 . 1 1 97 97 ASP CA C 13 52.84 0.1 . 1 . . . . 97 ASP CA . 18704 1 323 . 1 1 97 97 ASP CB C 13 40.3 0.5 . 1 . . . . 97 ASP CB . 18704 1 324 . 1 1 97 97 ASP N N 15 118.2951 0.1 . 1 . . . . 97 ASP N . 18704 1 325 . 1 1 98 98 VAL H H 1 8.6842 0.05 . 1 . . . . 98 VAL H . 18704 1 326 . 1 1 98 98 VAL C C 13 178.0164 0.1 . 1 . . . . 98 VAL C . 18704 1 327 . 1 1 98 98 VAL CA C 13 64.44 0.1 . 1 . . . . 98 VAL CA . 18704 1 328 . 1 1 98 98 VAL CB C 13 29.63 0.5 . 1 . . . . 98 VAL CB . 18704 1 329 . 1 1 98 98 VAL N N 15 125.052 0.1 . 1 . . . . 98 VAL N . 18704 1 330 . 1 1 99 99 GLN H H 1 8.5897 0.05 . 1 . . . . 99 GLN H . 18704 1 331 . 1 1 99 99 GLN C C 13 176.8734 0.1 . 1 . . . . 99 GLN C . 18704 1 332 . 1 1 99 99 GLN CA C 13 57.21 0.1 . 1 . . . . 99 GLN CA . 18704 1 333 . 1 1 99 99 GLN CB C 13 25.26 0.5 . 1 . . . . 99 GLN CB . 18704 1 334 . 1 1 99 99 GLN N N 15 117.6262 0.1 . 1 . . . . 99 GLN N . 18704 1 335 . 1 1 100 100 LYS H H 1 7.6617 0.05 . 1 . . . . 100 LYS H . 18704 1 336 . 1 1 100 100 LYS C C 13 175.8484 0.1 . 1 . . . . 100 LYS C . 18704 1 337 . 1 1 100 100 LYS CA C 13 54.71 0.1 . 1 . . . . 100 LYS CA . 18704 1 338 . 1 1 100 100 LYS CB C 13 29.94 0.5 . 1 . . . . 100 LYS CB . 18704 1 339 . 1 1 100 100 LYS N N 15 119.9417 0.1 . 1 . . . . 100 LYS N . 18704 1 340 . 1 1 101 101 LYS H H 1 7.6604 0.05 . 1 . . . . 101 LYS H . 18704 1 341 . 1 1 101 101 LYS C C 13 174.118 0.1 . 1 . . . . 101 LYS C . 18704 1 342 . 1 1 101 101 LYS CA C 13 58.33 0.1 . 1 . . . . 101 LYS CA . 18704 1 343 . 1 1 101 101 LYS CB C 13 26.1 0.5 . 1 . . . . 101 LYS CB . 18704 1 344 . 1 1 101 101 LYS N N 15 111.2848 0.1 . 1 . . . . 101 LYS N . 18704 1 345 . 1 1 102 102 ASN H H 1 7.3001 0.05 . 1 . . . . 102 ASN H . 18704 1 346 . 1 1 102 102 ASN C C 13 174.893 0.1 . 1 . . . . 102 ASN C . 18704 1 347 . 1 1 102 102 ASN CA C 13 53.3 0.1 . 1 . . . . 102 ASN CA . 18704 1 348 . 1 1 102 102 ASN CB C 13 39.15 0.5 . 1 . . . . 102 ASN CB . 18704 1 349 . 1 1 102 102 ASN N N 15 116.5061 0.1 . 1 . . . . 102 ASN N . 18704 1 350 . 1 1 103 103 CYS H H 1 8.2119 0.05 . 1 . . . . 103 CYS H . 18704 1 351 . 1 1 103 103 CYS C C 13 173.5443 0.1 . 1 . . . . 103 CYS C . 18704 1 352 . 1 1 103 103 CYS CA C 13 53.62 0.1 . 1 . . . . 103 CYS CA . 18704 1 353 . 1 1 103 103 CYS CB C 13 44.83 0.5 . 1 . . . . 103 CYS CB . 18704 1 354 . 1 1 103 103 CYS N N 15 119.7741 0.1 . 1 . . . . 103 CYS N . 18704 1 355 . 1 1 104 104 SER H H 1 8.6886 0.05 . 1 . . . . 104 SER H . 18704 1 356 . 1 1 104 104 SER C C 13 171.7976 0.1 . 1 . . . . 104 SER C . 18704 1 357 . 1 1 104 104 SER CA C 13 61.4 0.1 . 1 . . . . 104 SER CA . 18704 1 358 . 1 1 104 104 SER CB C 13 65.72 0.5 . 1 . . . . 104 SER CB . 18704 1 359 . 1 1 104 104 SER N N 15 118.0499 0.1 . 1 . . . . 104 SER N . 18704 1 360 . 1 1 105 105 LEU H H 1 8.0379 0.05 . 1 . . . . 105 LEU H . 18704 1 361 . 1 1 105 105 LEU C C 13 174.1611 0.1 . 1 . . . . 105 LEU C . 18704 1 362 . 1 1 105 105 LEU CA C 13 52.9 0.1 . 1 . . . . 105 LEU CA . 18704 1 363 . 1 1 105 105 LEU CB C 13 45.14 0.5 . 1 . . . . 105 LEU CB . 18704 1 364 . 1 1 105 105 LEU N N 15 126.1778 0.1 . 1 . . . . 105 LEU N . 18704 1 365 . 1 1 106 106 SER H H 1 9.0384 0.05 . 1 . . . . 106 SER H . 18704 1 366 . 1 1 106 106 SER C C 13 173.167 0.1 . 1 . . . . 106 SER C . 18704 1 367 . 1 1 106 106 SER CA C 13 56.37 0.1 . 1 . . . . 106 SER CA . 18704 1 368 . 1 1 106 106 SER CB C 13 66.18 0.5 . 1 . . . . 106 SER CB . 18704 1 369 . 1 1 106 106 SER N N 15 120.8482 0.1 . 1 . . . . 106 SER N . 18704 1 370 . 1 1 107 107 ILE H H 1 8.5435 0.05 . 1 . . . . 107 ILE H . 18704 1 371 . 1 1 107 107 ILE C C 13 174.9399 0.1 . 1 . . . . 107 ILE C . 18704 1 372 . 1 1 107 107 ILE CA C 13 60.62 0.1 . 1 . . . . 107 ILE CA . 18704 1 373 . 1 1 107 107 ILE CB C 13 38.31 0.5 . 1 . . . . 107 ILE CB . 18704 1 374 . 1 1 107 107 ILE N N 15 127.5862 0.1 . 1 . . . . 107 ILE N . 18704 1 375 . 1 1 108 108 GLY H H 1 8.3054 0.05 . 1 . . . . 108 GLY H . 18704 1 376 . 1 1 108 108 GLY C C 13 171.8121 0.1 . 1 . . . . 108 GLY C . 18704 1 377 . 1 1 108 108 GLY CA C 13 43.76 0.1 . 1 . . . . 108 GLY CA . 18704 1 378 . 1 1 108 108 GLY N N 15 113.4672 0.1 . 1 . . . . 108 GLY N . 18704 1 379 . 1 1 109 109 ASP H H 1 7.5665 0.05 . 1 . . . . 109 ASP H . 18704 1 380 . 1 1 109 109 ASP C C 13 174.9745 0.1 . 1 . . . . 109 ASP C . 18704 1 381 . 1 1 109 109 ASP CA C 13 53.82 0.1 . 1 . . . . 109 ASP CA . 18704 1 382 . 1 1 109 109 ASP CB C 13 39.69 0.5 . 1 . . . . 109 ASP CB . 18704 1 383 . 1 1 109 109 ASP N N 15 117.2884 0.1 . 1 . . . . 109 ASP N . 18704 1 384 . 1 1 110 110 ALA H H 1 8.1392 0.05 . 1 . . . . 110 ALA H . 18704 1 385 . 1 1 110 110 ALA C C 13 177.7483 0.1 . 1 . . . . 110 ALA C . 18704 1 386 . 1 1 110 110 ALA CA C 13 53.9 0.1 . 1 . . . . 110 ALA CA . 18704 1 387 . 1 1 110 110 ALA CB C 13 16.35 0.5 . 1 . . . . 110 ALA CB . 18704 1 388 . 1 1 110 110 ALA N N 15 119.3862 0.1 . 1 . . . . 110 ALA N . 18704 1 389 . 1 1 111 111 ARG H H 1 9.1278 0.05 . 1 . . . . 111 ARG H . 18704 1 390 . 1 1 111 111 ARG C C 13 177.7658 0.1 . 1 . . . . 111 ARG C . 18704 1 391 . 1 1 111 111 ARG CA C 13 53.3 0.1 . 1 . . . . 111 ARG CA . 18704 1 392 . 1 1 111 111 ARG CB C 13 31.09 0.5 . 1 . . . . 111 ARG CB . 18704 1 393 . 1 1 111 111 ARG N N 15 122.1432 0.1 . 1 . . . . 111 ARG N . 18704 1 394 . 1 1 112 112 MET H H 1 9.5692 0.05 . 1 . . . . 112 MET H . 18704 1 395 . 1 1 112 112 MET C C 13 179.6806 0.1 . 1 . . . . 112 MET C . 18704 1 396 . 1 1 112 112 MET CA C 13 58.56 0.1 . 1 . . . . 112 MET CA . 18704 1 397 . 1 1 112 112 MET CB C 13 28.94 0.5 . 1 . . . . 112 MET CB . 18704 1 398 . 1 1 112 112 MET N N 15 123.1844 0.1 . 1 . . . . 112 MET N . 18704 1 399 . 1 1 113 113 GLU H H 1 9.252 0.05 . 1 . . . . 113 GLU H . 18704 1 400 . 1 1 113 113 GLU C C 13 176.4296 0.1 . 1 . . . . 113 GLU C . 18704 1 401 . 1 1 113 113 GLU CA C 13 58.56 0.1 . 1 . . . . 113 GLU CA . 18704 1 402 . 1 1 113 113 GLU CB C 13 26.1 0.5 . 1 . . . . 113 GLU CB . 18704 1 403 . 1 1 113 113 GLU N N 15 116.2788 0.1 . 1 . . . . 113 GLU N . 18704 1 404 . 1 1 114 114 ASP H H 1 8.4808 0.05 . 1 . . . . 114 ASP H . 18704 1 405 . 1 1 114 114 ASP C C 13 177.6746 0.1 . 1 . . . . 114 ASP C . 18704 1 406 . 1 1 114 114 ASP CA C 13 55.63 0.1 . 1 . . . . 114 ASP CA . 18704 1 407 . 1 1 114 114 ASP CB C 13 40.3 0.5 . 1 . . . . 114 ASP CB . 18704 1 408 . 1 1 114 114 ASP N N 15 119.1746 0.1 . 1 . . . . 114 ASP N . 18704 1 409 . 1 1 115 115 THR H H 1 7.6793 0.05 . 1 . . . . 115 THR H . 18704 1 410 . 1 1 115 115 THR C C 13 174.215 0.1 . 1 . . . . 115 THR C . 18704 1 411 . 1 1 115 115 THR CA C 13 64.44 0.1 . 1 . . . . 115 THR CA . 18704 1 412 . 1 1 115 115 THR CB C 13 72.71 0.5 . 1 . . . . 115 THR CB . 18704 1 413 . 1 1 115 115 THR N N 15 119.5674 0.1 . 1 . . . . 115 THR N . 18704 1 414 . 1 1 116 116 GLY H H 1 9.07 0.05 . 1 . . . . 116 GLY H . 18704 1 415 . 1 1 116 116 GLY C C 13 170.5212 0.1 . 1 . . . . 116 GLY C . 18704 1 416 . 1 1 116 116 GLY CA C 13 45.23 0.1 . 1 . . . . 116 GLY CA . 18704 1 417 . 1 1 116 116 GLY N N 15 115.4157 0.1 . 1 . . . . 116 GLY N . 18704 1 418 . 1 1 117 117 SER H H 1 8.6087 0.05 . 1 . . . . 117 SER H . 18704 1 419 . 1 1 117 117 SER C C 13 171.8605 0.1 . 1 . . . . 117 SER C . 18704 1 420 . 1 1 117 117 SER CA C 13 56.86 0.1 . 1 . . . . 117 SER CA . 18704 1 421 . 1 1 117 117 SER CB C 13 67.64 0.5 . 1 . . . . 117 SER CB . 18704 1 422 . 1 1 117 117 SER N N 15 114.8732 0.1 . 1 . . . . 117 SER N . 18704 1 423 . 1 1 118 118 TYR H H 1 9.6596 0.05 . 1 . . . . 118 TYR H . 18704 1 424 . 1 1 118 118 TYR C C 13 175.471 0.1 . 1 . . . . 118 TYR C . 18704 1 425 . 1 1 118 118 TYR CA C 13 56.49 0.1 . 1 . . . . 118 TYR CA . 18704 1 426 . 1 1 118 118 TYR CB C 13 41.69 0.5 . 1 . . . . 118 TYR CB . 18704 1 427 . 1 1 118 118 TYR N N 15 123.6554 0.1 . 1 . . . . 118 TYR N . 18704 1 428 . 1 1 119 119 PHE H H 1 9.3195 0.05 . 1 . . . . 119 PHE H . 18704 1 429 . 1 1 119 119 PHE C C 13 171.3632 0.1 . 1 . . . . 119 PHE C . 18704 1 430 . 1 1 119 119 PHE CA C 13 55.63 0.1 . 1 . . . . 119 PHE CA . 18704 1 431 . 1 1 119 119 PHE CB C 13 42.91 0.5 . 1 . . . . 119 PHE CB . 18704 1 432 . 1 1 119 119 PHE N N 15 115.5784 0.1 . 1 . . . . 119 PHE N . 18704 1 433 . 1 1 120 120 PHE H H 1 9.2186 0.05 . 1 . . . . 120 PHE H . 18704 1 434 . 1 1 120 120 PHE C C 13 173.1421 0.1 . 1 . . . . 120 PHE C . 18704 1 435 . 1 1 120 120 PHE CA C 13 55.28 0.1 . 1 . . . . 120 PHE CA . 18704 1 436 . 1 1 120 120 PHE CB C 13 40.92 0.5 . 1 . . . . 120 PHE CB . 18704 1 437 . 1 1 120 120 PHE N N 15 125.8817 0.1 . 1 . . . . 120 PHE N . 18704 1 438 . 1 1 121 121 ARG H H 1 8.6339 0.05 . 1 . . . . 121 ARG H . 18704 1 439 . 1 1 121 121 ARG C C 13 172.7505 0.1 . 1 . . . . 121 ARG C . 18704 1 440 . 1 1 121 121 ARG CA C 13 54.08 0.1 . 1 . . . . 121 ARG CA . 18704 1 441 . 1 1 121 121 ARG CB C 13 33.7 0.5 . 1 . . . . 121 ARG CB . 18704 1 442 . 1 1 121 121 ARG N N 15 119.5274 0.1 . 1 . . . . 121 ARG N . 18704 1 443 . 1 1 122 122 VAL H H 1 8.6761 0.05 . 1 . . . . 122 VAL H . 18704 1 444 . 1 1 122 122 VAL C C 13 173.0169 0.1 . 1 . . . . 122 VAL C . 18704 1 445 . 1 1 122 122 VAL CA C 13 58.42 0.1 . 1 . . . . 122 VAL CA . 18704 1 446 . 1 1 122 122 VAL CB C 13 34.01 0.5 . 1 . . . . 122 VAL CB . 18704 1 447 . 1 1 122 122 VAL N N 15 120.8235 0.1 . 1 . . . . 122 VAL N . 18704 1 448 . 1 1 123 123 GLU H H 1 9.1141 0.05 . 1 . . . . 123 GLU H . 18704 1 449 . 1 1 123 123 GLU C C 13 174.5524 0.1 . 1 . . . . 123 GLU C . 18704 1 450 . 1 1 123 123 GLU CA C 13 54.48 0.1 . 1 . . . . 123 GLU CA . 18704 1 451 . 1 1 123 123 GLU CB C 13 32.47 0.5 . 1 . . . . 123 GLU CB . 18704 1 452 . 1 1 123 123 GLU N N 15 123.5745 0.1 . 1 . . . . 123 GLU N . 18704 1 453 . 1 1 124 124 ARG H H 1 9.1749 0.05 . 1 . . . . 124 ARG H . 18704 1 454 . 1 1 124 124 ARG C C 13 175.1692 0.1 . 1 . . . . 124 ARG C . 18704 1 455 . 1 1 124 124 ARG CA C 13 56.98 0.1 . 1 . . . . 124 ARG CA . 18704 1 456 . 1 1 124 124 ARG CB C 13 29.4 0.5 . 1 . . . . 124 ARG CB . 18704 1 457 . 1 1 124 124 ARG N N 15 122.5559 0.1 . 1 . . . . 124 ARG N . 18704 1 458 . 1 1 125 125 GLY H H 1 9.2842 0.05 . 1 . . . . 125 GLY H . 18704 1 459 . 1 1 125 125 GLY C C 13 173.5581 0.1 . 1 . . . . 125 GLY C . 18704 1 460 . 1 1 125 125 GLY CA C 13 45.45 0.1 . 1 . . . . 125 GLY CA . 18704 1 461 . 1 1 125 125 GLY N N 15 114.6237 0.1 . 1 . . . . 125 GLY N . 18704 1 462 . 1 1 126 126 ARG H H 1 8.7926 0.05 . 1 . . . . 126 ARG H . 18704 1 463 . 1 1 126 126 ARG C C 13 177.8748 0.1 . 1 . . . . 126 ARG C . 18704 1 464 . 1 1 126 126 ARG CA C 13 57.78 0.1 . 1 . . . . 126 ARG CA . 18704 1 465 . 1 1 126 126 ARG CB C 13 29.25 0.5 . 1 . . . . 126 ARG CB . 18704 1 466 . 1 1 126 126 ARG N N 15 120.149 0.1 . 1 . . . . 126 ARG N . 18704 1 467 . 1 1 127 127 ASP H H 1 8.54 0.05 . 1 . . . . 127 ASP H . 18704 1 468 . 1 1 127 127 ASP C C 13 176.2654 0.1 . 1 . . . . 127 ASP C . 18704 1 469 . 1 1 127 127 ASP CA C 13 55.74 0.1 . 1 . . . . 127 ASP CA . 18704 1 470 . 1 1 127 127 ASP CB C 13 42.23 0.5 . 1 . . . . 127 ASP CB . 18704 1 471 . 1 1 127 127 ASP N N 15 114.7871 0.1 . 1 . . . . 127 ASP N . 18704 1 472 . 1 1 128 128 VAL H H 1 7.2503 0.05 . 1 . . . . 128 VAL H . 18704 1 473 . 1 1 128 128 VAL C C 13 174.6285 0.1 . 1 . . . . 128 VAL C . 18704 1 474 . 1 1 128 128 VAL CA C 13 62.5 0.1 . 1 . . . . 128 VAL CA . 18704 1 475 . 1 1 128 128 VAL CB C 13 30.86 0.5 . 1 . . . . 128 VAL CB . 18704 1 476 . 1 1 128 128 VAL N N 15 120.8391 0.1 . 1 . . . . 128 VAL N . 18704 1 477 . 1 1 129 129 LYS H H 1 8.4546 0.05 . 1 . . . . 129 LYS H . 18704 1 478 . 1 1 129 129 LYS C C 13 174.7722 0.1 . 1 . . . . 129 LYS C . 18704 1 479 . 1 1 129 129 LYS CA C 13 55.54 0.1 . 1 . . . . 129 LYS CA . 18704 1 480 . 1 1 129 129 LYS CB C 13 32.25 0.5 . 1 . . . . 129 LYS CB . 18704 1 481 . 1 1 129 129 LYS N N 15 128.0595 0.1 . 1 . . . . 129 LYS N . 18704 1 482 . 1 1 130 130 TYR H H 1 8.9342 0.05 . 1 . . . . 130 TYR H . 18704 1 483 . 1 1 130 130 TYR C C 13 173.8001 0.1 . 1 . . . . 130 TYR C . 18704 1 484 . 1 1 130 130 TYR CA C 13 59.02 0.1 . 1 . . . . 130 TYR CA . 18704 1 485 . 1 1 130 130 TYR CB C 13 42.84 0.5 . 1 . . . . 130 TYR CB . 18704 1 486 . 1 1 130 130 TYR N N 15 125.095 0.1 . 1 . . . . 130 TYR N . 18704 1 487 . 1 1 131 131 SER H H 1 8.0413 0.05 . 1 . . . . 131 SER H . 18704 1 488 . 1 1 131 131 SER C C 13 173.1892 0.1 . 1 . . . . 131 SER C . 18704 1 489 . 1 1 131 131 SER CA C 13 56.49 0.1 . 1 . . . . 131 SER CA . 18704 1 490 . 1 1 131 131 SER CB C 13 66.33 0.5 . 1 . . . . 131 SER CB . 18704 1 491 . 1 1 131 131 SER N N 15 124.3156 0.1 . 1 . . . . 131 SER N . 18704 1 492 . 1 1 132 132 TYR H H 1 9.464 0.05 . 1 . . . . 132 TYR H . 18704 1 493 . 1 1 132 132 TYR C C 13 179.2299 0.1 . 1 . . . . 132 TYR C . 18704 1 494 . 1 1 132 132 TYR CA C 13 57.24 0.1 . 1 . . . . 132 TYR CA . 18704 1 495 . 1 1 132 132 TYR CB C 13 34.86 0.5 . 1 . . . . 132 TYR CB . 18704 1 496 . 1 1 132 132 TYR N N 15 126.2653 0.1 . 1 . . . . 132 TYR N . 18704 1 497 . 1 1 133 133 GLN H H 1 7.821 0.05 . 1 . . . . 133 GLN H . 18704 1 498 . 1 1 133 133 GLN C C 13 175.9872 0.1 . 1 . . . . 133 GLN C . 18704 1 499 . 1 1 133 133 GLN CA C 13 58.01 0.1 . 1 . . . . 133 GLN CA . 18704 1 500 . 1 1 133 133 GLN CB C 13 26.56 0.5 . 1 . . . . 133 GLN CB . 18704 1 501 . 1 1 133 133 GLN N N 15 121.1771 0.1 . 1 . . . . 133 GLN N . 18704 1 502 . 1 1 134 134 GLN H H 1 8.8172 0.05 . 1 . . . . 134 GLN H . 18704 1 503 . 1 1 134 134 GLN C C 13 175.6238 0.1 . 1 . . . . 134 GLN C . 18704 1 504 . 1 1 134 134 GLN CA C 13 56.12 0.1 . 1 . . . . 134 GLN CA . 18704 1 505 . 1 1 134 134 GLN CB C 13 26.49 0.5 . 1 . . . . 134 GLN CB . 18704 1 506 . 1 1 134 134 GLN N N 15 116.2261 0.1 . 1 . . . . 134 GLN N . 18704 1 507 . 1 1 135 135 ASN H H 1 7.3678 0.05 . 1 . . . . 135 ASN H . 18704 1 508 . 1 1 135 135 ASN C C 13 172.9012 0.1 . 1 . . . . 135 ASN C . 18704 1 509 . 1 1 135 135 ASN CA C 13 53.07 0.1 . 1 . . . . 135 ASN CA . 18704 1 510 . 1 1 135 135 ASN CB C 13 41.38 0.5 . 1 . . . . 135 ASN CB . 18704 1 511 . 1 1 135 135 ASN N N 15 120.7892 0.1 . 1 . . . . 135 ASN N . 18704 1 512 . 1 1 136 136 LYS H H 1 8.0486 0.05 . 1 . . . . 136 LYS H . 18704 1 513 . 1 1 136 136 LYS C C 13 175.9055 0.1 . 1 . . . . 136 LYS C . 18704 1 514 . 1 1 136 136 LYS CA C 13 57.67 0.1 . 1 . . . . 136 LYS CA . 18704 1 515 . 1 1 136 136 LYS CB C 13 32 0.5 . 1 . . . . 136 LYS CB . 18704 1 516 . 1 1 136 136 LYS N N 15 117.8083 0.1 . 1 . . . . 136 LYS N . 18704 1 517 . 1 1 137 137 LEU H H 1 9.2183 0.05 . 1 . . . . 137 LEU H . 18704 1 518 . 1 1 137 137 LEU C C 13 175.1752 0.1 . 1 . . . . 137 LEU C . 18704 1 519 . 1 1 137 137 LEU CA C 13 53.71 0.1 . 1 . . . . 137 LEU CA . 18704 1 520 . 1 1 137 137 LEU CB C 13 45.07 0.5 . 1 . . . . 137 LEU CB . 18704 1 521 . 1 1 137 137 LEU N N 15 123.4566 0.1 . 1 . . . . 137 LEU N . 18704 1 522 . 1 1 138 138 ASN H H 1 8.7507 0.05 . 1 . . . . 138 ASN H . 18704 1 523 . 1 1 138 138 ASN C C 13 172.7765 0.1 . 1 . . . . 138 ASN C . 18704 1 524 . 1 1 138 138 ASN CA C 13 53.07 0.1 . 1 . . . . 138 ASN CA . 18704 1 525 . 1 1 138 138 ASN CB C 13 39.23 0.5 . 1 . . . . 138 ASN CB . 18704 1 526 . 1 1 138 138 ASN N N 15 125.8606 0.1 . 1 . . . . 138 ASN N . 18704 1 527 . 1 1 139 139 LEU H H 1 9.2247 0.05 . 1 . . . . 139 LEU H . 18704 1 528 . 1 1 139 139 LEU C C 13 175.5769 0.1 . 1 . . . . 139 LEU C . 18704 1 529 . 1 1 139 139 LEU CA C 13 53.56 0.1 . 1 . . . . 139 LEU CA . 18704 1 530 . 1 1 139 139 LEU CB C 13 44.68 0.5 . 1 . . . . 139 LEU CB . 18704 1 531 . 1 1 139 139 LEU N N 15 127.5123 0.1 . 1 . . . . 139 LEU N . 18704 1 532 . 1 1 140 140 GLU H H 1 9.1093 0.05 . 1 . . . . 140 GLU H . 18704 1 533 . 1 1 140 140 GLU C C 13 173.2578 0.1 . 1 . . . . 140 GLU C . 18704 1 534 . 1 1 140 140 GLU CA C 13 55.57 0.1 . 1 . . . . 140 GLU CA . 18704 1 535 . 1 1 140 140 GLU CB C 13 30.48 0.5 . 1 . . . . 140 GLU CB . 18704 1 536 . 1 1 140 140 GLU N N 15 129.8149 0.1 . 1 . . . . 140 GLU N . 18704 1 537 . 1 1 141 141 VAL H H 1 8.0088 0.05 . 1 . . . . 141 VAL H . 18704 1 538 . 1 1 141 141 VAL C C 13 176.2839 0.1 . 1 . . . . 141 VAL C . 18704 1 539 . 1 1 141 141 VAL CA C 13 60.25 0.1 . 1 . . . . 141 VAL CA . 18704 1 540 . 1 1 141 141 VAL CB C 13 30.47 0.5 . 1 . . . . 141 VAL CB . 18704 1 541 . 1 1 141 141 VAL N N 15 127.4582 0.1 . 1 . . . . 141 VAL N . 18704 1 542 . 1 1 142 142 THR H H 1 8.7139 0.05 . 1 . . . . 142 THR H . 18704 1 543 . 1 1 142 142 THR C C 13 172.9225 0.1 . 1 . . . . 142 THR C . 18704 1 544 . 1 1 142 142 THR CA C 13 59.73 0.1 . 1 . . . . 142 THR CA . 18704 1 545 . 1 1 142 142 THR CB C 13 73.94 0.5 . 1 . . . . 142 THR CB . 18704 1 546 . 1 1 142 142 THR N N 15 118.5161 0.1 . 1 . . . . 142 THR N . 18704 1 547 . 1 1 143 143 ALA H H 1 8.2524 0.05 . 1 . . . . 143 ALA H . 18704 1 548 . 1 1 143 143 ALA CA C 13 54.25 0.1 . 1 . . . . 143 ALA CA . 18704 1 549 . 1 1 143 143 ALA CB C 13 16.58 0.5 . 1 . . . . 143 ALA CB . 18704 1 550 . 1 1 143 143 ALA N N 15 128.0454 0.1 . 1 . . . . 143 ALA N . 18704 1 stop_ save_