data_15892 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15892 _Entry.Title ; Backbone 1HN and 15N Assignments for Native Human alpha-Lactalbumin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-25 _Entry.Accession_date 2008-07-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Christina Redfield . . . 15892 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Redfield Group, Univ of Oxford' . 15892 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15892 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 115 15892 '1H chemical shifts' 115 15892 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-05-18 2008-07-25 update BMRB 'complete entry citation' 15892 1 . . 2009-04-22 2008-07-25 original author 'original release' 15892 stop_ save_ ############### # Citations # ############### save_entry_citation1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation1 _Citation.Entry_ID 15892 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19309110 _Citation.Full_citation . _Citation.Title '(15)N NMR relaxation data reveals significant chemical exchange broadening in the alpha-domain of human alpha-lactalbumin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 19 _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 4031 _Citation.Page_last 4039 _Citation.Year 2009 _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 Gilles Bruylants . . . 15892 1 2 Christina Redfield . . . 15892 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15892 _Assembly.ID 1 _Assembly.Name 'human alpha-lactalbumin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 alpha-lactalbumin 1 $alpha-lactalbumin A . yes native no no . . . 15892 1 2 CA_2+ 2 $CA_2+ A . no native no no . ligand . 15892 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 disulphide 1 . 1 alpha-lactalbumin 1 CYS 7 7 SG . 1 alpha-lactalbumin 1 CYS 121 121 SG . alpha-lactalbumin 6 CYS SG . alpha-lactalbumin 120 CYS SG 15892 1 2 disulphide 1 . 1 alpha-lactalbumin 1 CYS 29 29 SG . 1 alpha-lactalbumin 1 CYS 112 112 SG . alpha-lactalbumin 28 CYS SG . alpha-lactalbumin 111 CYS SG 15892 1 3 disulphide 1 . 1 alpha-lactalbumin 1 CYS 62 62 SG . 1 alpha-lactalbumin 1 CYS 78 78 SG . alpha-lactalbumin 61 CYS SG . alpha-lactalbumin 77 CYS SG 15892 1 4 disulphide 1 . 1 alpha-lactalbumin 1 CYS 74 74 SG . 1 alpha-lactalbumin 1 CYS 92 92 SG . alpha-lactalbumin 73 CYS SG . alpha-lactalbumin 91 CYS SG 15892 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alpha-lactalbumin _Entity.Sf_category entity _Entity.Sf_framecode alpha-lactalbumin _Entity.Entry_ID 15892 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name alpha-lactalbumin _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 ; MKQFTKCELSQLLKDIDGYG GIALPELICTMFHTSGYDTQ AIVENNESTEYGLFQISNKL WCKSSQVPQSRNICDISCDK FLDDDITDDIMCAKKILDIK GIDYWLAHKALCTEKLEQWL CEKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal methionine is called MET-0' _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 124 _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 . _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 2015-11-26 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 1A4V . Alpha-Lactalbumin . . . . . 99.19 123 100.00 100.00 5.58e-83 . . . . 15892 1 2 no PDB 1B9O . "Human Alpha-Lactalbumin, Low Temperature Form" . . . . . 99.19 123 99.19 100.00 3.27e-82 . . . . 15892 1 3 no PDB 1HML . "Alpha_lactalbumin Possesses A Distinct Zinc Binding Site" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 4 no PDB 3B0I . "Crystal Structure Of Recombinant Human Alpha Lactalbumin" . . . . . 100.00 124 100.00 100.00 6.57e-84 . . . . 15892 1 5 no PDB 3B0O . "Crystal Structure Of Alpha-lactalbumin" . . . . . 98.39 123 100.00 100.00 1.65e-82 . . . . 15892 1 6 no PDB 4L41 . "Human Lactose Synthase: A 2:1 Complex Between Human Alpha-lactalbumin And Human Beta1,4-galactosyltransferase" . . . . . 99.19 124 100.00 100.00 3.73e-83 . . . . 15892 1 7 no DBJ BAC06860 . "alpha-lactalbumin [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 8 no DBJ BAJ20953 . "lactalbumin, alpha- [synthetic construct]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 9 no EMBL CAA28799 . "alpha-lactalbumin precursor [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 10 no EMBL CAA28800 . "mature alpha-lactalbumin [Homo sapiens]" . . . . . 99.19 123 100.00 100.00 5.58e-83 . . . . 15892 1 11 no EMBL CAG46784 . "LALBA [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 12 no EMBL CAG46814 . "LALBA [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 13 no GB AAA60345 . "alpha-lactalbumin [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 14 no GB AAH69103 . "Lactalbumin, alpha- [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 15 no GB AAI12317 . "Lactalbumin, alpha-, precursor [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 16 no GB AAI12319 . "Lactalbumin, alpha- [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 17 no GB AAX36575 . "alpha-lactalbumin [synthetic construct]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 18 no REF NP_002280 . "alpha-lactalbumin precursor [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 19 no REF XP_001102116 . "PREDICTED: alpha-lactalbumin [Macaca mulatta]" . . . . . 99.19 142 97.56 98.37 4.57e-81 . . . . 15892 1 20 no REF XP_001160401 . "PREDICTED: alpha-lactalbumin [Pan troglodytes]" . . . . . 83.87 123 99.04 99.04 4.91e-68 . . . . 15892 1 21 no REF XP_002823206 . "PREDICTED: alpha-lactalbumin [Pongo abelii]" . . . . . 99.19 142 97.56 98.37 3.05e-81 . . . . 15892 1 22 no REF XP_003252260 . "PREDICTED: alpha-lactalbumin [Nomascus leucogenys]" . . . . . 99.19 142 98.37 100.00 7.00e-82 . . . . 15892 1 23 no SP P00709 . "RecName: Full=Alpha-lactalbumin; AltName: Full=Lactose synthase B protein; AltName: Full=Lysozyme-like protein 7; Flags: Precur" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 24 no TPE CDM98741 . "TPA: lysozyme G [Homo sapiens]" . . . . . 99.19 142 100.00 100.00 3.02e-83 . . . . 15892 1 25 no TPE CDM98755 . "TPA: lysozyme G [Nomascus leucogenys]" . . . . . 99.19 142 98.37 100.00 7.00e-82 . . . . 15892 1 26 no TPE CDM98761 . "TPA: lysozyme G [Macaca mulatta]" . . . . . 99.19 142 97.56 98.37 4.57e-81 . . . . 15892 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 0 MET . 15892 1 2 1 LYS . 15892 1 3 2 GLN . 15892 1 4 3 PHE . 15892 1 5 4 THR . 15892 1 6 5 LYS . 15892 1 7 6 CYS . 15892 1 8 7 GLU . 15892 1 9 8 LEU . 15892 1 10 9 SER . 15892 1 11 10 GLN . 15892 1 12 11 LEU . 15892 1 13 12 LEU . 15892 1 14 13 LYS . 15892 1 15 14 ASP . 15892 1 16 15 ILE . 15892 1 17 16 ASP . 15892 1 18 17 GLY . 15892 1 19 18 TYR . 15892 1 20 19 GLY . 15892 1 21 20 GLY . 15892 1 22 21 ILE . 15892 1 23 22 ALA . 15892 1 24 23 LEU . 15892 1 25 24 PRO . 15892 1 26 25 GLU . 15892 1 27 26 LEU . 15892 1 28 27 ILE . 15892 1 29 28 CYS . 15892 1 30 29 THR . 15892 1 31 30 MET . 15892 1 32 31 PHE . 15892 1 33 32 HIS . 15892 1 34 33 THR . 15892 1 35 34 SER . 15892 1 36 35 GLY . 15892 1 37 36 TYR . 15892 1 38 37 ASP . 15892 1 39 38 THR . 15892 1 40 39 GLN . 15892 1 41 40 ALA . 15892 1 42 41 ILE . 15892 1 43 42 VAL . 15892 1 44 43 GLU . 15892 1 45 44 ASN . 15892 1 46 45 ASN . 15892 1 47 46 GLU . 15892 1 48 47 SER . 15892 1 49 48 THR . 15892 1 50 49 GLU . 15892 1 51 50 TYR . 15892 1 52 51 GLY . 15892 1 53 52 LEU . 15892 1 54 53 PHE . 15892 1 55 54 GLN . 15892 1 56 55 ILE . 15892 1 57 56 SER . 15892 1 58 57 ASN . 15892 1 59 58 LYS . 15892 1 60 59 LEU . 15892 1 61 60 TRP . 15892 1 62 61 CYS . 15892 1 63 62 LYS . 15892 1 64 63 SER . 15892 1 65 64 SER . 15892 1 66 65 GLN . 15892 1 67 66 VAL . 15892 1 68 67 PRO . 15892 1 69 68 GLN . 15892 1 70 69 SER . 15892 1 71 70 ARG . 15892 1 72 71 ASN . 15892 1 73 72 ILE . 15892 1 74 73 CYS . 15892 1 75 74 ASP . 15892 1 76 75 ILE . 15892 1 77 76 SER . 15892 1 78 77 CYS . 15892 1 79 78 ASP . 15892 1 80 79 LYS . 15892 1 81 80 PHE . 15892 1 82 81 LEU . 15892 1 83 82 ASP . 15892 1 84 83 ASP . 15892 1 85 84 ASP . 15892 1 86 85 ILE . 15892 1 87 86 THR . 15892 1 88 87 ASP . 15892 1 89 88 ASP . 15892 1 90 89 ILE . 15892 1 91 90 MET . 15892 1 92 91 CYS . 15892 1 93 92 ALA . 15892 1 94 93 LYS . 15892 1 95 94 LYS . 15892 1 96 95 ILE . 15892 1 97 96 LEU . 15892 1 98 97 ASP . 15892 1 99 98 ILE . 15892 1 100 99 LYS . 15892 1 101 100 GLY . 15892 1 102 101 ILE . 15892 1 103 102 ASP . 15892 1 104 103 TYR . 15892 1 105 104 TRP . 15892 1 106 105 LEU . 15892 1 107 106 ALA . 15892 1 108 107 HIS . 15892 1 109 108 LYS . 15892 1 110 109 ALA . 15892 1 111 110 LEU . 15892 1 112 111 CYS . 15892 1 113 112 THR . 15892 1 114 113 GLU . 15892 1 115 114 LYS . 15892 1 116 115 LEU . 15892 1 117 116 GLU . 15892 1 118 117 GLN . 15892 1 119 118 TRP . 15892 1 120 119 LEU . 15892 1 121 120 CYS . 15892 1 122 121 GLU . 15892 1 123 122 LYS . 15892 1 124 123 LEU . 15892 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 15892 1 . LYS 2 2 15892 1 . GLN 3 3 15892 1 . PHE 4 4 15892 1 . THR 5 5 15892 1 . LYS 6 6 15892 1 . CYS 7 7 15892 1 . GLU 8 8 15892 1 . LEU 9 9 15892 1 . SER 10 10 15892 1 . GLN 11 11 15892 1 . LEU 12 12 15892 1 . LEU 13 13 15892 1 . LYS 14 14 15892 1 . ASP 15 15 15892 1 . ILE 16 16 15892 1 . ASP 17 17 15892 1 . GLY 18 18 15892 1 . TYR 19 19 15892 1 . GLY 20 20 15892 1 . GLY 21 21 15892 1 . ILE 22 22 15892 1 . ALA 23 23 15892 1 . LEU 24 24 15892 1 . PRO 25 25 15892 1 . GLU 26 26 15892 1 . LEU 27 27 15892 1 . ILE 28 28 15892 1 . CYS 29 29 15892 1 . THR 30 30 15892 1 . MET 31 31 15892 1 . PHE 32 32 15892 1 . HIS 33 33 15892 1 . THR 34 34 15892 1 . SER 35 35 15892 1 . GLY 36 36 15892 1 . TYR 37 37 15892 1 . ASP 38 38 15892 1 . THR 39 39 15892 1 . GLN 40 40 15892 1 . ALA 41 41 15892 1 . ILE 42 42 15892 1 . VAL 43 43 15892 1 . GLU 44 44 15892 1 . ASN 45 45 15892 1 . ASN 46 46 15892 1 . GLU 47 47 15892 1 . SER 48 48 15892 1 . THR 49 49 15892 1 . GLU 50 50 15892 1 . TYR 51 51 15892 1 . GLY 52 52 15892 1 . LEU 53 53 15892 1 . PHE 54 54 15892 1 . GLN 55 55 15892 1 . ILE 56 56 15892 1 . SER 57 57 15892 1 . ASN 58 58 15892 1 . LYS 59 59 15892 1 . LEU 60 60 15892 1 . TRP 61 61 15892 1 . CYS 62 62 15892 1 . LYS 63 63 15892 1 . SER 64 64 15892 1 . SER 65 65 15892 1 . GLN 66 66 15892 1 . VAL 67 67 15892 1 . PRO 68 68 15892 1 . GLN 69 69 15892 1 . SER 70 70 15892 1 . ARG 71 71 15892 1 . ASN 72 72 15892 1 . ILE 73 73 15892 1 . CYS 74 74 15892 1 . ASP 75 75 15892 1 . ILE 76 76 15892 1 . SER 77 77 15892 1 . CYS 78 78 15892 1 . ASP 79 79 15892 1 . LYS 80 80 15892 1 . PHE 81 81 15892 1 . LEU 82 82 15892 1 . ASP 83 83 15892 1 . ASP 84 84 15892 1 . ASP 85 85 15892 1 . ILE 86 86 15892 1 . THR 87 87 15892 1 . ASP 88 88 15892 1 . ASP 89 89 15892 1 . ILE 90 90 15892 1 . MET 91 91 15892 1 . CYS 92 92 15892 1 . ALA 93 93 15892 1 . LYS 94 94 15892 1 . LYS 95 95 15892 1 . ILE 96 96 15892 1 . LEU 97 97 15892 1 . ASP 98 98 15892 1 . ILE 99 99 15892 1 . LYS 100 100 15892 1 . GLY 101 101 15892 1 . ILE 102 102 15892 1 . ASP 103 103 15892 1 . TYR 104 104 15892 1 . TRP 105 105 15892 1 . LEU 106 106 15892 1 . ALA 107 107 15892 1 . HIS 108 108 15892 1 . LYS 109 109 15892 1 . ALA 110 110 15892 1 . LEU 111 111 15892 1 . CYS 112 112 15892 1 . THR 113 113 15892 1 . GLU 114 114 15892 1 . LYS 115 115 15892 1 . LEU 116 116 15892 1 . GLU 117 117 15892 1 . GLN 118 118 15892 1 . TRP 119 119 15892 1 . LEU 120 120 15892 1 . CYS 121 121 15892 1 . GLU 122 122 15892 1 . LYS 123 123 15892 1 . LEU 124 124 15892 1 stop_ save_ save_CA_2+ _Entity.Sf_category entity _Entity.Sf_framecode CA_2+ _Entity.Entry_ID 15892 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA_2+ _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_CA_2+ _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ca abbreviation 15892 2 'CALCIUM (II) ION' common 15892 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA_2+ . 15892 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15892 _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 $alpha-lactalbumin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15892 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 15892 _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 $alpha-lactalbumin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'not known' . . . . . . 15892 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA_2+ _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA_2+ _Chem_comp.Entry_ID 15892 _Chem_comp.ID CA_2+ _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM (II) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code CA_2+ _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2+ _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula CA1 _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID Ca abbreviation 15892 CA_2+ 'CALCIUM (II) ION' common 15892 CA_2+ stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . . 2+ . . . . . . . . . . . . . . . . . . . . . 15892 CA_2+ stop_ loop_ _Atom_nomenclature.Atom_ID _Atom_nomenclature.Atom_name _Atom_nomenclature.Naming_system _Atom_nomenclature.Entry_ID _Atom_nomenclature.Comp_ID . CA . 15892 CA_2+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15892 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 alpha-lactalbumin '[U-99% 15N]' . . 1 $alpha-lactalbumin . . 1 . . mM . . . . 15892 1 2 CA_2+ 'natural abundance' . . . . . . 3 . . mM . . . . 15892 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15892 1 4 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15892 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 15892 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 15892 1 pH 6.3 . pH 15892 1 pressure 1 . atm 15892 1 temperature 291 . K 15892 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15892 _Software.ID 1 _Software.Name FELIX _Software.Version 2.3 _Software.Details 'Used for processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15892 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15892 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15892 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'home-built spectrometer using GE/Omega data acquistion computer, Oxford instruments magnet' _NMR_spectrometer.Manufacturer GE _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15892 _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 GE OMEGA . 600 'home-built spectrometer using GE/Omega data acquistion computer, Oxford instruments magnet' . . 15892 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 15892 _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 . . . . . . . . . . . . . . . . 15892 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15892 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15892 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 15892 _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 H 1 water protons . . . . ppm 4.82 internal direct 1.0 . . . . . . . . . 15892 1 N 15 water nitrogen . . . . ppm 4.82 na indirect 0.101329118 . . . . . . . . . 15892 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 15892 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 'estimate from digital resolution' _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' . . . 15892 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 15892 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 GLN H H 1 8.67 0.01 . 1 . . . . 2 GLN H . 15892 1 2 . 1 1 3 3 GLN N N 15 127.37 0.01 . 1 . . . . 2 GLN N . 15892 1 3 . 1 1 4 4 PHE H H 1 8.18 0.01 . 1 . . . . 3 PHE H . 15892 1 4 . 1 1 4 4 PHE N N 15 123.00 0.01 . 1 . . . . 3 PHE N . 15892 1 5 . 1 1 5 5 THR H H 1 8.23 0.01 . 1 . . . . 4 THR H . 15892 1 6 . 1 1 5 5 THR N N 15 107.99 0.01 . 1 . . . . 4 THR N . 15892 1 7 . 1 1 6 6 LYS H H 1 8.99 0.01 . 1 . . . . 5 LYS H . 15892 1 8 . 1 1 6 6 LYS N N 15 120.80 0.01 . 1 . . . . 5 LYS N . 15892 1 9 . 1 1 8 8 GLU H H 1 7.84 0.01 . 1 . . . . 7 GLU H . 15892 1 10 . 1 1 8 8 GLU N N 15 123.91 0.01 . 1 . . . . 7 GLU N . 15892 1 11 . 1 1 9 9 LEU H H 1 8.26 0.01 . 1 . . . . 8 LEU H . 15892 1 12 . 1 1 9 9 LEU N N 15 118.86 0.01 . 1 . . . . 8 LEU N . 15892 1 13 . 1 1 10 10 SER H H 1 8.02 0.01 . 1 . . . . 9 SER H . 15892 1 14 . 1 1 10 10 SER N N 15 113.37 0.01 . 1 . . . . 9 SER N . 15892 1 15 . 1 1 11 11 GLN H H 1 7.27 0.01 . 1 . . . . 10 GLN H . 15892 1 16 . 1 1 11 11 GLN N N 15 117.41 0.01 . 1 . . . . 10 GLN N . 15892 1 17 . 1 1 12 12 LEU H H 1 7.60 0.01 . 1 . . . . 11 LEU H . 15892 1 18 . 1 1 12 12 LEU N N 15 119.38 0.01 . 1 . . . . 11 LEU N . 15892 1 19 . 1 1 13 13 LEU H H 1 7.85 0.01 . 1 . . . . 12 LEU H . 15892 1 20 . 1 1 13 13 LEU N N 15 115.68 0.01 . 1 . . . . 12 LEU N . 15892 1 21 . 1 1 14 14 LYS H H 1 7.07 0.01 . 1 . . . . 13 LYS H . 15892 1 22 . 1 1 14 14 LYS N N 15 120.07 0.01 . 1 . . . . 13 LYS N . 15892 1 23 . 1 1 15 15 ASP H H 1 8.55 0.01 . 1 . . . . 14 ASP H . 15892 1 24 . 1 1 15 15 ASP N N 15 116.58 0.01 . 1 . . . . 14 ASP N . 15892 1 25 . 1 1 16 16 ILE H H 1 8.12 0.01 . 1 . . . . 15 ILE H . 15892 1 26 . 1 1 16 16 ILE N N 15 115.73 0.01 . 1 . . . . 15 ILE N . 15892 1 27 . 1 1 17 17 ASP H H 1 7.37 0.01 . 1 . . . . 16 ASP H . 15892 1 28 . 1 1 17 17 ASP N N 15 121.58 0.01 . 1 . . . . 16 ASP N . 15892 1 29 . 1 1 18 18 GLY H H 1 8.57 0.01 . 1 . . . . 17 GLY H . 15892 1 30 . 1 1 18 18 GLY N N 15 118.23 0.01 . 1 . . . . 17 GLY N . 15892 1 31 . 1 1 19 19 TYR H H 1 8.46 0.01 . 1 . . . . 18 TYR H . 15892 1 32 . 1 1 19 19 TYR N N 15 127.18 0.01 . 1 . . . . 18 TYR N . 15892 1 33 . 1 1 20 20 GLY H H 1 8.68 0.01 . 1 . . . . 19 GLY H . 15892 1 34 . 1 1 20 20 GLY N N 15 117.26 0.01 . 1 . . . . 19 GLY N . 15892 1 35 . 1 1 21 21 GLY H H 1 8.02 0.01 . 1 . . . . 20 GLY H . 15892 1 36 . 1 1 21 21 GLY N N 15 105.50 0.01 . 1 . . . . 20 GLY N . 15892 1 37 . 1 1 22 22 ILE H H 1 7.37 0.01 . 1 . . . . 21 ILE H . 15892 1 38 . 1 1 22 22 ILE N N 15 119.88 0.01 . 1 . . . . 21 ILE N . 15892 1 39 . 1 1 23 23 ALA H H 1 8.63 0.01 . 1 . . . . 22 ALA H . 15892 1 40 . 1 1 23 23 ALA N N 15 128.54 0.01 . 1 . . . . 22 ALA N . 15892 1 41 . 1 1 24 24 LEU H H 1 8.96 0.01 . 1 . . . . 23 LEU H . 15892 1 42 . 1 1 24 24 LEU N N 15 125.11 0.01 . 1 . . . . 23 LEU N . 15892 1 43 . 1 1 26 26 GLU H H 1 7.29 0.01 . 1 . . . . 25 GLU H . 15892 1 44 . 1 1 26 26 GLU N N 15 113.37 0.01 . 1 . . . . 25 GLU N . 15892 1 45 . 1 1 27 27 LEU H H 1 7.78 0.01 . 1 . . . . 26 LEU H . 15892 1 46 . 1 1 27 27 LEU N N 15 124.62 0.01 . 1 . . . . 26 LEU N . 15892 1 47 . 1 1 28 28 ILE H H 1 8.51 0.01 . 1 . . . . 27 ILE H . 15892 1 48 . 1 1 28 28 ILE N N 15 121.07 0.01 . 1 . . . . 27 ILE N . 15892 1 49 . 1 1 29 29 CYS H H 1 7.73 0.01 . 1 . . . . 28 CYS H . 15892 1 50 . 1 1 29 29 CYS N N 15 120.45 0.01 . 1 . . . . 28 CYS N . 15892 1 51 . 1 1 30 30 THR H H 1 7.39 0.01 . 1 . . . . 29 THR H . 15892 1 52 . 1 1 30 30 THR N N 15 117.71 0.01 . 1 . . . . 29 THR N . 15892 1 53 . 1 1 31 31 MET H H 1 8.43 0.01 . 1 . . . . 30 MET H . 15892 1 54 . 1 1 31 31 MET N N 15 122.46 0.01 . 1 . . . . 30 MET N . 15892 1 55 . 1 1 32 32 PHE H H 1 8.41 0.01 . 1 . . . . 31 PHE H . 15892 1 56 . 1 1 32 32 PHE N N 15 123.90 0.01 . 1 . . . . 31 PHE N . 15892 1 57 . 1 1 33 33 HIS H H 1 7.29 0.01 . 1 . . . . 32 HIS H . 15892 1 58 . 1 1 33 33 HIS N N 15 115.91 0.01 . 1 . . . . 32 HIS N . 15892 1 59 . 1 1 34 34 THR H H 1 7.58 0.01 . 1 . . . . 33 THR H . 15892 1 60 . 1 1 34 34 THR N N 15 116.10 0.01 . 1 . . . . 33 THR N . 15892 1 61 . 1 1 35 35 SER H H 1 8.23 0.01 . 1 . . . . 34 SER H . 15892 1 62 . 1 1 35 35 SER N N 15 111.64 0.01 . 1 . . . . 34 SER N . 15892 1 63 . 1 1 36 36 GLY H H 1 7.95 0.01 . 1 . . . . 35 GLY H . 15892 1 64 . 1 1 36 36 GLY N N 15 115.72 0.01 . 1 . . . . 35 GLY N . 15892 1 65 . 1 1 37 37 TYR H H 1 7.26 0.01 . 1 . . . . 36 TYR H . 15892 1 66 . 1 1 37 37 TYR N N 15 107.36 0.01 . 1 . . . . 36 TYR N . 15892 1 67 . 1 1 38 38 ASP H H 1 7.15 0.01 . 1 . . . . 37 ASP H . 15892 1 68 . 1 1 38 38 ASP N N 15 119.69 0.01 . 1 . . . . 37 ASP N . 15892 1 69 . 1 1 39 39 THR H H 1 8.17 0.01 . 1 . . . . 38 THR H . 15892 1 70 . 1 1 39 39 THR N N 15 116.14 0.01 . 1 . . . . 38 THR N . 15892 1 71 . 1 1 40 40 GLN H H 1 8.08 0.01 . 1 . . . . 39 GLN H . 15892 1 72 . 1 1 40 40 GLN N N 15 114.96 0.01 . 1 . . . . 39 GLN N . 15892 1 73 . 1 1 41 41 ALA H H 1 6.99 0.01 . 1 . . . . 40 ALA H . 15892 1 74 . 1 1 41 41 ALA N N 15 123.38 0.01 . 1 . . . . 40 ALA N . 15892 1 75 . 1 1 42 42 ILE H H 1 8.04 0.01 . 1 . . . . 41 ILE H . 15892 1 76 . 1 1 42 42 ILE N N 15 119.38 0.01 . 1 . . . . 41 ILE N . 15892 1 77 . 1 1 43 43 VAL H H 1 8.25 0.01 . 1 . . . . 42 VAL H . 15892 1 78 . 1 1 43 43 VAL N N 15 128.04 0.01 . 1 . . . . 42 VAL N . 15892 1 79 . 1 1 44 44 GLU H H 1 8.82 0.01 . 1 . . . . 43 GLU H . 15892 1 80 . 1 1 44 44 GLU N N 15 127.73 0.01 . 1 . . . . 43 GLU N . 15892 1 81 . 1 1 45 45 ASN H H 1 8.73 0.01 . 1 . . . . 44 ASN H . 15892 1 82 . 1 1 45 45 ASN N N 15 123.28 0.01 . 1 . . . . 44 ASN N . 15892 1 83 . 1 1 46 46 ASN H H 1 8.81 0.01 . 1 . . . . 45 ASN H . 15892 1 84 . 1 1 46 46 ASN N N 15 117.50 0.01 . 1 . . . . 45 ASN N . 15892 1 85 . 1 1 47 47 GLU H H 1 8.68 0.01 . 1 . . . . 46 GLU H . 15892 1 86 . 1 1 47 47 GLU N N 15 116.10 0.01 . 1 . . . . 46 GLU N . 15892 1 87 . 1 1 48 48 SER H H 1 7.72 0.01 . 1 . . . . 47 SER H . 15892 1 88 . 1 1 48 48 SER N N 15 112.35 0.01 . 1 . . . . 47 SER N . 15892 1 89 . 1 1 49 49 THR H H 1 8.93 0.01 . 1 . . . . 48 THR H . 15892 1 90 . 1 1 49 49 THR N N 15 116.61 0.01 . 1 . . . . 48 THR N . 15892 1 91 . 1 1 50 50 GLU H H 1 8.61 0.01 . 1 . . . . 49 GLU H . 15892 1 92 . 1 1 50 50 GLU N N 15 124.39 0.01 . 1 . . . . 49 GLU N . 15892 1 93 . 1 1 51 51 TYR H H 1 8.60 0.01 . 1 . . . . 50 TYR H . 15892 1 94 . 1 1 51 51 TYR N N 15 118.83 0.01 . 1 . . . . 50 TYR N . 15892 1 95 . 1 1 53 53 LEU H H 1 10.01 0.01 . 1 . . . . 52 LEU H . 15892 1 96 . 1 1 53 53 LEU N N 15 125.12 0.01 . 1 . . . . 52 LEU N . 15892 1 97 . 1 1 54 54 PHE H H 1 9.13 0.01 . 1 . . . . 53 PHE H . 15892 1 98 . 1 1 54 54 PHE N N 15 111.97 0.01 . 1 . . . . 53 PHE N . 15892 1 99 . 1 1 55 55 GLN H H 1 8.23 0.01 . 1 . . . . 54 GLN H . 15892 1 100 . 1 1 55 55 GLN N N 15 118.45 0.01 . 1 . . . . 54 GLN N . 15892 1 101 . 1 1 56 56 ILE H H 1 8.02 0.01 . 1 . . . . 55 ILE H . 15892 1 102 . 1 1 56 56 ILE N N 15 123.02 0.01 . 1 . . . . 55 ILE N . 15892 1 103 . 1 1 57 57 SER H H 1 7.50 0.01 . 1 . . . . 56 SER H . 15892 1 104 . 1 1 57 57 SER N N 15 120.61 0.01 . 1 . . . . 56 SER N . 15892 1 105 . 1 1 58 58 ASN H H 1 9.32 0.01 . 1 . . . . 57 ASN H . 15892 1 106 . 1 1 58 58 ASN N N 15 127.17 0.01 . 1 . . . . 57 ASN N . 15892 1 107 . 1 1 59 59 LYS H H 1 8.64 0.01 . 1 . . . . 58 LYS H . 15892 1 108 . 1 1 59 59 LYS N N 15 118.63 0.01 . 1 . . . . 58 LYS N . 15892 1 109 . 1 1 60 60 LEU H H 1 6.69 0.01 . 1 . . . . 59 LEU H . 15892 1 110 . 1 1 60 60 LEU N N 15 112.03 0.01 . 1 . . . . 59 LEU N . 15892 1 111 . 1 1 61 61 TRP H H 1 7.09 0.01 . 1 . . . . 60 TRP H . 15892 1 112 . 1 1 61 61 TRP N N 15 115.06 0.01 . 1 . . . . 60 TRP N . 15892 1 113 . 1 1 62 62 CYS H H 1 7.51 0.01 . 1 . . . . 61 CYS H . 15892 1 114 . 1 1 62 62 CYS N N 15 110.28 0.01 . 1 . . . . 61 CYS N . 15892 1 115 . 1 1 63 63 LYS H H 1 8.66 0.01 . 1 . . . . 62 LYS H . 15892 1 116 . 1 1 63 63 LYS N N 15 122.10 0.01 . 1 . . . . 62 LYS N . 15892 1 117 . 1 1 64 64 SER H H 1 9.22 0.01 . 1 . . . . 63 SER H . 15892 1 118 . 1 1 64 64 SER N N 15 113.55 0.01 . 1 . . . . 63 SER N . 15892 1 119 . 1 1 66 66 GLN H H 1 7.82 0.01 . 1 . . . . 65 GLN H . 15892 1 120 . 1 1 66 66 GLN N N 15 120.13 0.01 . 1 . . . . 65 GLN N . 15892 1 121 . 1 1 67 67 VAL H H 1 6.60 0.01 . 1 . . . . 66 VAL H . 15892 1 122 . 1 1 67 67 VAL N N 15 113.58 0.01 . 1 . . . . 66 VAL N . 15892 1 123 . 1 1 69 69 GLN H H 1 8.89 0.01 . 1 . . . . 68 GLN H . 15892 1 124 . 1 1 69 69 GLN N N 15 115.74 0.01 . 1 . . . . 68 GLN N . 15892 1 125 . 1 1 70 70 SER H H 1 7.36 0.01 . 1 . . . . 69 SER H . 15892 1 126 . 1 1 70 70 SER N N 15 114.34 0.01 . 1 . . . . 69 SER N . 15892 1 127 . 1 1 71 71 ARG H H 1 8.68 0.01 . 1 . . . . 70 ARG H . 15892 1 128 . 1 1 71 71 ARG N N 15 127.71 0.01 . 1 . . . . 70 ARG N . 15892 1 129 . 1 1 72 72 ASN H H 1 7.82 0.01 . 1 . . . . 71 ASN H . 15892 1 130 . 1 1 72 72 ASN N N 15 115.36 0.01 . 1 . . . . 71 ASN N . 15892 1 131 . 1 1 73 73 ILE H H 1 8.41 0.01 . 1 . . . . 72 ILE H . 15892 1 132 . 1 1 73 73 ILE N N 15 119.23 0.01 . 1 . . . . 72 ILE N . 15892 1 133 . 1 1 74 74 CYS H H 1 9.12 0.01 . 1 . . . . 73 CYS H . 15892 1 134 . 1 1 74 74 CYS N N 15 113.15 0.01 . 1 . . . . 73 CYS N . 15892 1 135 . 1 1 75 75 ASP H H 1 7.91 0.01 . 1 . . . . 74 ASP H . 15892 1 136 . 1 1 75 75 ASP N N 15 122.26 0.01 . 1 . . . . 74 ASP N . 15892 1 137 . 1 1 76 76 ILE H H 1 9.07 0.01 . 1 . . . . 75 ILE H . 15892 1 138 . 1 1 76 76 ILE N N 15 120.33 0.01 . 1 . . . . 75 ILE N . 15892 1 139 . 1 1 77 77 SER H H 1 8.08 0.01 . 1 . . . . 76 SER H . 15892 1 140 . 1 1 77 77 SER N N 15 120.15 0.01 . 1 . . . . 76 SER N . 15892 1 141 . 1 1 78 78 CYS H H 1 8.74 0.01 . 1 . . . . 77 CYS H . 15892 1 142 . 1 1 78 78 CYS N N 15 124.93 0.01 . 1 . . . . 77 CYS N . 15892 1 143 . 1 1 79 79 ASP H H 1 7.82 0.01 . 1 . . . . 78 ASP H . 15892 1 144 . 1 1 79 79 ASP N N 15 115.36 0.01 . 1 . . . . 78 ASP N . 15892 1 145 . 1 1 80 80 LYS H H 1 7.50 0.01 . 1 . . . . 79 LYS H . 15892 1 146 . 1 1 80 80 LYS N N 15 119.69 0.01 . 1 . . . . 79 LYS N . 15892 1 147 . 1 1 81 81 PHE H H 1 8.07 0.01 . 1 . . . . 80 PHE H . 15892 1 148 . 1 1 81 81 PHE N N 15 121.51 0.01 . 1 . . . . 80 PHE N . 15892 1 149 . 1 1 82 82 LEU H H 1 6.98 0.01 . 1 . . . . 81 LEU H . 15892 1 150 . 1 1 82 82 LEU N N 15 113.59 0.01 . 1 . . . . 81 LEU N . 15892 1 151 . 1 1 83 83 ASP H H 1 7.49 0.01 . 1 . . . . 82 ASP H . 15892 1 152 . 1 1 83 83 ASP N N 15 119.54 0.01 . 1 . . . . 82 ASP N . 15892 1 153 . 1 1 84 84 ASP H H 1 7.88 0.01 . 1 . . . . 83 ASP H . 15892 1 154 . 1 1 84 84 ASP N N 15 114.25 0.01 . 1 . . . . 83 ASP N . 15892 1 155 . 1 1 85 85 ASP H H 1 7.20 0.01 . 1 . . . . 84 ASP H . 15892 1 156 . 1 1 85 85 ASP N N 15 116.86 0.01 . 1 . . . . 84 ASP N . 15892 1 157 . 1 1 86 86 ILE H H 1 9.15 0.01 . 1 . . . . 85 ILE H . 15892 1 158 . 1 1 86 86 ILE N N 15 121.98 0.01 . 1 . . . . 85 ILE N . 15892 1 159 . 1 1 87 87 THR H H 1 8.56 0.01 . 1 . . . . 86 THR H . 15892 1 160 . 1 1 87 87 THR N N 15 119.36 0.01 . 1 . . . . 86 THR N . 15892 1 161 . 1 1 88 88 ASP H H 1 8.36 0.01 . 1 . . . . 87 ASP H . 15892 1 162 . 1 1 88 88 ASP N N 15 121.73 0.01 . 1 . . . . 87 ASP N . 15892 1 163 . 1 1 89 89 ASP H H 1 10.34 0.01 . 1 . . . . 88 ASP H . 15892 1 164 . 1 1 89 89 ASP N N 15 124.87 0.01 . 1 . . . . 88 ASP N . 15892 1 165 . 1 1 90 90 ILE H H 1 8.84 0.01 . 1 . . . . 89 ILE H . 15892 1 166 . 1 1 90 90 ILE N N 15 117.41 0.01 . 1 . . . . 89 ILE N . 15892 1 167 . 1 1 91 91 MET H H 1 7.37 0.01 . 1 . . . . 90 MET H . 15892 1 168 . 1 1 91 91 MET N N 15 117.96 0.01 . 1 . . . . 90 MET N . 15892 1 169 . 1 1 92 92 CYS H H 1 7.89 0.01 . 1 . . . . 91 CYS H . 15892 1 170 . 1 1 92 92 CYS N N 15 117.55 0.01 . 1 . . . . 91 CYS N . 15892 1 171 . 1 1 93 93 ALA H H 1 8.73 0.01 . 1 . . . . 92 ALA H . 15892 1 172 . 1 1 93 93 ALA N N 15 123.28 0.01 . 1 . . . . 92 ALA N . 15892 1 173 . 1 1 94 94 LYS H H 1 8.08 0.01 . 1 . . . . 93 LYS H . 15892 1 174 . 1 1 94 94 LYS N N 15 115.42 0.01 . 1 . . . . 93 LYS N . 15892 1 175 . 1 1 95 95 LYS H H 1 6.99 0.01 . 1 . . . . 94 LYS H . 15892 1 176 . 1 1 95 95 LYS N N 15 118.42 0.01 . 1 . . . . 94 LYS N . 15892 1 177 . 1 1 96 96 ILE H H 1 7.69 0.01 . 1 . . . . 95 ILE H . 15892 1 178 . 1 1 96 96 ILE N N 15 119.74 0.01 . 1 . . . . 95 ILE N . 15892 1 179 . 1 1 97 97 LEU H H 1 8.56 0.01 . 1 . . . . 96 LEU H . 15892 1 180 . 1 1 97 97 LEU N N 15 121.15 0.01 . 1 . . . . 96 LEU N . 15892 1 181 . 1 1 98 98 ASP H H 1 8.40 0.01 . 1 . . . . 97 ASP H . 15892 1 182 . 1 1 98 98 ASP N N 15 118.81 0.01 . 1 . . . . 97 ASP N . 15892 1 183 . 1 1 99 99 ILE H H 1 8.11 0.01 . 1 . . . . 98 ILE H . 15892 1 184 . 1 1 99 99 ILE N N 15 118.25 0.01 . 1 . . . . 98 ILE N . 15892 1 185 . 1 1 100 100 LYS H H 1 8.98 0.01 . 1 . . . . 99 LYS H . 15892 1 186 . 1 1 100 100 LYS N N 15 118.56 0.01 . 1 . . . . 99 LYS N . 15892 1 187 . 1 1 101 101 GLY H H 1 8.19 0.01 . 1 . . . . 100 GLY H . 15892 1 188 . 1 1 101 101 GLY N N 15 108.76 0.01 . 1 . . . . 100 GLY N . 15892 1 189 . 1 1 102 102 ILE H H 1 8.51 0.01 . 1 . . . . 101 ILE H . 15892 1 190 . 1 1 102 102 ILE N N 15 117.47 0.01 . 1 . . . . 101 ILE N . 15892 1 191 . 1 1 103 103 ASP H H 1 8.15 0.01 . 1 . . . . 102 ASP H . 15892 1 192 . 1 1 103 103 ASP N N 15 117.28 0.01 . 1 . . . . 102 ASP N . 15892 1 193 . 1 1 104 104 TYR H H 1 7.70 0.01 . 1 . . . . 103 TYR H . 15892 1 194 . 1 1 104 104 TYR N N 15 119.99 0.01 . 1 . . . . 103 TYR N . 15892 1 195 . 1 1 105 105 TRP H H 1 7.62 0.01 . 1 . . . . 104 TRP H . 15892 1 196 . 1 1 105 105 TRP N N 15 116.44 0.01 . 1 . . . . 104 TRP N . 15892 1 197 . 1 1 107 107 ALA H H 1 8.75 0.01 . 1 . . . . 106 ALA H . 15892 1 198 . 1 1 107 107 ALA N N 15 116.67 0.01 . 1 . . . . 106 ALA N . 15892 1 199 . 1 1 108 108 HIS H H 1 7.73 0.01 . 1 . . . . 107 HIS H . 15892 1 200 . 1 1 108 108 HIS N N 15 113.10 0.01 . 1 . . . . 107 HIS N . 15892 1 201 . 1 1 110 110 ALA H H 1 7.22 0.01 . 1 . . . . 109 ALA H . 15892 1 202 . 1 1 110 110 ALA N N 15 118.21 0.01 . 1 . . . . 109 ALA N . 15892 1 203 . 1 1 111 111 LEU H H 1 7.44 0.01 . 1 . . . . 110 LEU H . 15892 1 204 . 1 1 111 111 LEU N N 15 113.36 0.01 . 1 . . . . 110 LEU N . 15892 1 205 . 1 1 112 112 CYS H H 1 7.63 0.01 . 1 . . . . 111 CYS H . 15892 1 206 . 1 1 112 112 CYS N N 15 116.70 0.01 . 1 . . . . 111 CYS N . 15892 1 207 . 1 1 113 113 THR H H 1 7.93 0.01 . 1 . . . . 112 THR H . 15892 1 208 . 1 1 113 113 THR N N 15 104.56 0.01 . 1 . . . . 112 THR N . 15892 1 209 . 1 1 114 114 GLU H H 1 7.64 0.01 . 1 . . . . 113 GLU H . 15892 1 210 . 1 1 114 114 GLU N N 15 118.62 0.01 . 1 . . . . 113 GLU N . 15892 1 211 . 1 1 115 115 LYS H H 1 9.09 0.01 . 1 . . . . 114 LYS H . 15892 1 212 . 1 1 115 115 LYS N N 15 118.15 0.01 . 1 . . . . 114 LYS N . 15892 1 213 . 1 1 116 116 LEU H H 1 8.47 0.01 . 1 . . . . 115 LEU H . 15892 1 214 . 1 1 116 116 LEU N N 15 117.62 0.01 . 1 . . . . 115 LEU N . 15892 1 215 . 1 1 117 117 GLU H H 1 9.22 0.01 . 1 . . . . 116 GLU H . 15892 1 216 . 1 1 117 117 GLU N N 15 119.82 0.01 . 1 . . . . 116 GLU N . 15892 1 217 . 1 1 118 118 GLN H H 1 7.73 0.01 . 1 . . . . 117 GLN H . 15892 1 218 . 1 1 118 118 GLN N N 15 116.01 0.01 . 1 . . . . 117 GLN N . 15892 1 219 . 1 1 119 119 TRP H H 1 7.73 0.01 . 1 . . . . 118 TRP H . 15892 1 220 . 1 1 119 119 TRP N N 15 120.73 0.01 . 1 . . . . 118 TRP N . 15892 1 221 . 1 1 120 120 LEU H H 1 6.98 0.01 . 1 . . . . 119 LEU H . 15892 1 222 . 1 1 120 120 LEU N N 15 118.20 0.01 . 1 . . . . 119 LEU N . 15892 1 223 . 1 1 121 121 CYS H H 1 8.73 0.01 . 1 . . . . 120 CYS H . 15892 1 224 . 1 1 121 121 CYS N N 15 120.75 0.01 . 1 . . . . 120 CYS N . 15892 1 225 . 1 1 122 122 GLU H H 1 8.91 0.01 . 1 . . . . 121 GLU H . 15892 1 226 . 1 1 122 122 GLU N N 15 125.96 0.01 . 1 . . . . 121 GLU N . 15892 1 227 . 1 1 123 123 LYS H H 1 8.20 0.01 . 1 . . . . 122 LYS H . 15892 1 228 . 1 1 123 123 LYS N N 15 122.61 0.01 . 1 . . . . 122 LYS N . 15892 1 229 . 1 1 124 124 LEU H H 1 7.91 0.01 . 1 . . . . 123 LEU H . 15892 1 230 . 1 1 124 124 LEU N N 15 130.34 0.01 . 1 . . . . 123 LEU N . 15892 1 stop_ save_