data_11609 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11609 _Entry.Title ; Solution structure of the isolated histone H2A-H2B heterodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-28 _Entry.Accession_date 2016-04-04 _Entry.Last_release_date 2016-05-23 _Entry.Original_release_date 2016-05-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _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.ORCID _Entry_author.Entry_ID 1 Yoshihito Moriwaki . . . . 11609 2 Tsutomu Yamane . . . . 11609 3 Hideaki Ohtomo . . . . 11609 4 Mitsunori Ikeguchi . . . . 11609 5 Jun-ichi Kurita . . . . 11609 6 Masahiko Sato . . . . 11609 7 Aritaka Nagadoi . . . . 11609 8 Hideaki Shimojo . . . . 11609 9 Yoshifumi Nishimura . . . . 11609 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11609 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CS-Rosetta . 11609 'H2A-H2B heterodimer' . 11609 NMR . 11609 'disordered tails' . 11609 nucleosome . 11609 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 11609 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 736 11609 '15N chemical shifts' 242 11609 '1H chemical shifts' 243 11609 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 . . 2016-05-23 . original BMRB . 11609 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RVQ 'BMRB Entry Tracking System' 11609 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11609 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27181506 _Citation.Full_citation . _Citation.Title ; Solution structure of the isolated histone H2A-H2B heterodimer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 24999 _Citation.Page_last 24999 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yoshihito Moriwaki . . . . 11609 1 2 Tsutomu Yamane . . . . 11609 1 3 Hideaki Ohtomo . . . . 11609 1 4 Mitsunori Ikeguchi . . . . 11609 1 5 Jun-ichi Kurita . . . . 11609 1 6 Masahiko Sato . . . . 11609 1 7 Aritaka Nagadoi . . . . 11609 1 8 Hideaki Shimojo . . . . 11609 1 9 Yoshifumi Nishimura . . . . 11609 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11609 _Assembly.ID 1 _Assembly.Name 'histone H2A-H2B heterodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 11609 1 2 entity_2 2 $entity_2 B . yes native no no . . . 11609 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11609 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGMSGRGKQGGKARAKAKT RSSRAGLQFPVGRVHRLLRK GNYSERVGAGAPVYLAAVLE YLTAEILELAGNAARDNKKT RIIPRHLQLAIRNDEELNKL LGRVTIAQGGVLPNIQAVLL PKKTESHHKAKGK ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14376.907 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -3 GLY . 11609 1 2 -2 PRO . 11609 1 3 -1 GLY . 11609 1 4 0 MET . 11609 1 5 1 SER . 11609 1 6 2 GLY . 11609 1 7 3 ARG . 11609 1 8 4 GLY . 11609 1 9 5 LYS . 11609 1 10 6 GLN . 11609 1 11 7 GLY . 11609 1 12 8 GLY . 11609 1 13 9 LYS . 11609 1 14 10 ALA . 11609 1 15 11 ARG . 11609 1 16 12 ALA . 11609 1 17 13 LYS . 11609 1 18 14 ALA . 11609 1 19 15 LYS . 11609 1 20 16 THR . 11609 1 21 17 ARG . 11609 1 22 18 SER . 11609 1 23 19 SER . 11609 1 24 20 ARG . 11609 1 25 21 ALA . 11609 1 26 22 GLY . 11609 1 27 23 LEU . 11609 1 28 24 GLN . 11609 1 29 25 PHE . 11609 1 30 26 PRO . 11609 1 31 27 VAL . 11609 1 32 28 GLY . 11609 1 33 29 ARG . 11609 1 34 30 VAL . 11609 1 35 31 HIS . 11609 1 36 32 ARG . 11609 1 37 33 LEU . 11609 1 38 34 LEU . 11609 1 39 35 ARG . 11609 1 40 36 LYS . 11609 1 41 37 GLY . 11609 1 42 38 ASN . 11609 1 43 39 TYR . 11609 1 44 40 SER . 11609 1 45 41 GLU . 11609 1 46 42 ARG . 11609 1 47 43 VAL . 11609 1 48 44 GLY . 11609 1 49 45 ALA . 11609 1 50 46 GLY . 11609 1 51 47 ALA . 11609 1 52 48 PRO . 11609 1 53 49 VAL . 11609 1 54 50 TYR . 11609 1 55 51 LEU . 11609 1 56 52 ALA . 11609 1 57 53 ALA . 11609 1 58 54 VAL . 11609 1 59 55 LEU . 11609 1 60 56 GLU . 11609 1 61 57 TYR . 11609 1 62 58 LEU . 11609 1 63 59 THR . 11609 1 64 60 ALA . 11609 1 65 61 GLU . 11609 1 66 62 ILE . 11609 1 67 63 LEU . 11609 1 68 64 GLU . 11609 1 69 65 LEU . 11609 1 70 66 ALA . 11609 1 71 67 GLY . 11609 1 72 68 ASN . 11609 1 73 69 ALA . 11609 1 74 70 ALA . 11609 1 75 71 ARG . 11609 1 76 72 ASP . 11609 1 77 73 ASN . 11609 1 78 74 LYS . 11609 1 79 75 LYS . 11609 1 80 76 THR . 11609 1 81 77 ARG . 11609 1 82 78 ILE . 11609 1 83 79 ILE . 11609 1 84 80 PRO . 11609 1 85 81 ARG . 11609 1 86 82 HIS . 11609 1 87 83 LEU . 11609 1 88 84 GLN . 11609 1 89 85 LEU . 11609 1 90 86 ALA . 11609 1 91 87 ILE . 11609 1 92 88 ARG . 11609 1 93 89 ASN . 11609 1 94 90 ASP . 11609 1 95 91 GLU . 11609 1 96 92 GLU . 11609 1 97 93 LEU . 11609 1 98 94 ASN . 11609 1 99 95 LYS . 11609 1 100 96 LEU . 11609 1 101 97 LEU . 11609 1 102 98 GLY . 11609 1 103 99 ARG . 11609 1 104 100 VAL . 11609 1 105 101 THR . 11609 1 106 102 ILE . 11609 1 107 103 ALA . 11609 1 108 104 GLN . 11609 1 109 105 GLY . 11609 1 110 106 GLY . 11609 1 111 107 VAL . 11609 1 112 108 LEU . 11609 1 113 109 PRO . 11609 1 114 110 ASN . 11609 1 115 111 ILE . 11609 1 116 112 GLN . 11609 1 117 113 ALA . 11609 1 118 114 VAL . 11609 1 119 115 LEU . 11609 1 120 116 LEU . 11609 1 121 117 PRO . 11609 1 122 118 LYS . 11609 1 123 119 LYS . 11609 1 124 120 THR . 11609 1 125 121 GLU . 11609 1 126 122 SER . 11609 1 127 123 HIS . 11609 1 128 124 HIS . 11609 1 129 125 LYS . 11609 1 130 126 ALA . 11609 1 131 127 LYS . 11609 1 132 128 GLY . 11609 1 133 129 LYS . 11609 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11609 1 . PRO 2 2 11609 1 . GLY 3 3 11609 1 . MET 4 4 11609 1 . SER 5 5 11609 1 . GLY 6 6 11609 1 . ARG 7 7 11609 1 . GLY 8 8 11609 1 . LYS 9 9 11609 1 . GLN 10 10 11609 1 . GLY 11 11 11609 1 . GLY 12 12 11609 1 . LYS 13 13 11609 1 . ALA 14 14 11609 1 . ARG 15 15 11609 1 . ALA 16 16 11609 1 . LYS 17 17 11609 1 . ALA 18 18 11609 1 . LYS 19 19 11609 1 . THR 20 20 11609 1 . ARG 21 21 11609 1 . SER 22 22 11609 1 . SER 23 23 11609 1 . ARG 24 24 11609 1 . ALA 25 25 11609 1 . GLY 26 26 11609 1 . LEU 27 27 11609 1 . GLN 28 28 11609 1 . PHE 29 29 11609 1 . PRO 30 30 11609 1 . VAL 31 31 11609 1 . GLY 32 32 11609 1 . ARG 33 33 11609 1 . VAL 34 34 11609 1 . HIS 35 35 11609 1 . ARG 36 36 11609 1 . LEU 37 37 11609 1 . LEU 38 38 11609 1 . ARG 39 39 11609 1 . LYS 40 40 11609 1 . GLY 41 41 11609 1 . ASN 42 42 11609 1 . TYR 43 43 11609 1 . SER 44 44 11609 1 . GLU 45 45 11609 1 . ARG 46 46 11609 1 . VAL 47 47 11609 1 . GLY 48 48 11609 1 . ALA 49 49 11609 1 . GLY 50 50 11609 1 . ALA 51 51 11609 1 . PRO 52 52 11609 1 . VAL 53 53 11609 1 . TYR 54 54 11609 1 . LEU 55 55 11609 1 . ALA 56 56 11609 1 . ALA 57 57 11609 1 . VAL 58 58 11609 1 . LEU 59 59 11609 1 . GLU 60 60 11609 1 . TYR 61 61 11609 1 . LEU 62 62 11609 1 . THR 63 63 11609 1 . ALA 64 64 11609 1 . GLU 65 65 11609 1 . ILE 66 66 11609 1 . LEU 67 67 11609 1 . GLU 68 68 11609 1 . LEU 69 69 11609 1 . ALA 70 70 11609 1 . GLY 71 71 11609 1 . ASN 72 72 11609 1 . ALA 73 73 11609 1 . ALA 74 74 11609 1 . ARG 75 75 11609 1 . ASP 76 76 11609 1 . ASN 77 77 11609 1 . LYS 78 78 11609 1 . LYS 79 79 11609 1 . THR 80 80 11609 1 . ARG 81 81 11609 1 . ILE 82 82 11609 1 . ILE 83 83 11609 1 . PRO 84 84 11609 1 . ARG 85 85 11609 1 . HIS 86 86 11609 1 . LEU 87 87 11609 1 . GLN 88 88 11609 1 . LEU 89 89 11609 1 . ALA 90 90 11609 1 . ILE 91 91 11609 1 . ARG 92 92 11609 1 . ASN 93 93 11609 1 . ASP 94 94 11609 1 . GLU 95 95 11609 1 . GLU 96 96 11609 1 . LEU 97 97 11609 1 . ASN 98 98 11609 1 . LYS 99 99 11609 1 . LEU 100 100 11609 1 . LEU 101 101 11609 1 . GLY 102 102 11609 1 . ARG 103 103 11609 1 . VAL 104 104 11609 1 . THR 105 105 11609 1 . ILE 106 106 11609 1 . ALA 107 107 11609 1 . GLN 108 108 11609 1 . GLY 109 109 11609 1 . GLY 110 110 11609 1 . VAL 111 111 11609 1 . LEU 112 112 11609 1 . PRO 113 113 11609 1 . ASN 114 114 11609 1 . ILE 115 115 11609 1 . GLN 116 116 11609 1 . ALA 117 117 11609 1 . VAL 118 118 11609 1 . LEU 119 119 11609 1 . LEU 120 120 11609 1 . PRO 121 121 11609 1 . LYS 122 122 11609 1 . LYS 123 123 11609 1 . THR 124 124 11609 1 . GLU 125 125 11609 1 . SER 126 126 11609 1 . HIS 127 127 11609 1 . HIS 128 128 11609 1 . LYS 129 129 11609 1 . ALA 130 130 11609 1 . LYS 131 131 11609 1 . GLY 132 132 11609 1 . LYS 133 133 11609 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11609 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGMPEPAKSAPAPKKGSKK AVTKAQKKDGKKRKRSRKES YSIYVYKVLKQVHPDTGISS KAMGIMNSFVNDIFERIAGE ASRLAHYNKRSTITSREIQT AVRLLLPGELAKHAVSEGTK AVTKYTSAK ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14146.588 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -3 GLY . 11609 2 2 -2 PRO . 11609 2 3 -1 GLY . 11609 2 4 0 MET . 11609 2 5 1 PRO . 11609 2 6 2 GLU . 11609 2 7 3 PRO . 11609 2 8 4 ALA . 11609 2 9 5 LYS . 11609 2 10 6 SER . 11609 2 11 7 ALA . 11609 2 12 8 PRO . 11609 2 13 9 ALA . 11609 2 14 10 PRO . 11609 2 15 11 LYS . 11609 2 16 12 LYS . 11609 2 17 13 GLY . 11609 2 18 14 SER . 11609 2 19 15 LYS . 11609 2 20 16 LYS . 11609 2 21 17 ALA . 11609 2 22 18 VAL . 11609 2 23 19 THR . 11609 2 24 20 LYS . 11609 2 25 21 ALA . 11609 2 26 22 GLN . 11609 2 27 23 LYS . 11609 2 28 24 LYS . 11609 2 29 25 ASP . 11609 2 30 26 GLY . 11609 2 31 27 LYS . 11609 2 32 28 LYS . 11609 2 33 29 ARG . 11609 2 34 30 LYS . 11609 2 35 31 ARG . 11609 2 36 32 SER . 11609 2 37 33 ARG . 11609 2 38 34 LYS . 11609 2 39 35 GLU . 11609 2 40 36 SER . 11609 2 41 37 TYR . 11609 2 42 38 SER . 11609 2 43 39 ILE . 11609 2 44 40 TYR . 11609 2 45 41 VAL . 11609 2 46 42 TYR . 11609 2 47 43 LYS . 11609 2 48 44 VAL . 11609 2 49 45 LEU . 11609 2 50 46 LYS . 11609 2 51 47 GLN . 11609 2 52 48 VAL . 11609 2 53 49 HIS . 11609 2 54 50 PRO . 11609 2 55 51 ASP . 11609 2 56 52 THR . 11609 2 57 53 GLY . 11609 2 58 54 ILE . 11609 2 59 55 SER . 11609 2 60 56 SER . 11609 2 61 57 LYS . 11609 2 62 58 ALA . 11609 2 63 59 MET . 11609 2 64 60 GLY . 11609 2 65 61 ILE . 11609 2 66 62 MET . 11609 2 67 63 ASN . 11609 2 68 64 SER . 11609 2 69 65 PHE . 11609 2 70 66 VAL . 11609 2 71 67 ASN . 11609 2 72 68 ASP . 11609 2 73 69 ILE . 11609 2 74 70 PHE . 11609 2 75 71 GLU . 11609 2 76 72 ARG . 11609 2 77 73 ILE . 11609 2 78 74 ALA . 11609 2 79 75 GLY . 11609 2 80 76 GLU . 11609 2 81 77 ALA . 11609 2 82 78 SER . 11609 2 83 79 ARG . 11609 2 84 80 LEU . 11609 2 85 81 ALA . 11609 2 86 82 HIS . 11609 2 87 83 TYR . 11609 2 88 84 ASN . 11609 2 89 85 LYS . 11609 2 90 86 ARG . 11609 2 91 87 SER . 11609 2 92 88 THR . 11609 2 93 89 ILE . 11609 2 94 90 THR . 11609 2 95 91 SER . 11609 2 96 92 ARG . 11609 2 97 93 GLU . 11609 2 98 94 ILE . 11609 2 99 95 GLN . 11609 2 100 96 THR . 11609 2 101 97 ALA . 11609 2 102 98 VAL . 11609 2 103 99 ARG . 11609 2 104 100 LEU . 11609 2 105 101 LEU . 11609 2 106 102 LEU . 11609 2 107 103 PRO . 11609 2 108 104 GLY . 11609 2 109 105 GLU . 11609 2 110 106 LEU . 11609 2 111 107 ALA . 11609 2 112 108 LYS . 11609 2 113 109 HIS . 11609 2 114 110 ALA . 11609 2 115 111 VAL . 11609 2 116 112 SER . 11609 2 117 113 GLU . 11609 2 118 114 GLY . 11609 2 119 115 THR . 11609 2 120 116 LYS . 11609 2 121 117 ALA . 11609 2 122 118 VAL . 11609 2 123 119 THR . 11609 2 124 120 LYS . 11609 2 125 121 TYR . 11609 2 126 122 THR . 11609 2 127 123 SER . 11609 2 128 124 ALA . 11609 2 129 125 LYS . 11609 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11609 2 . PRO 2 2 11609 2 . GLY 3 3 11609 2 . MET 4 4 11609 2 . PRO 5 5 11609 2 . GLU 6 6 11609 2 . PRO 7 7 11609 2 . ALA 8 8 11609 2 . LYS 9 9 11609 2 . SER 10 10 11609 2 . ALA 11 11 11609 2 . PRO 12 12 11609 2 . ALA 13 13 11609 2 . PRO 14 14 11609 2 . LYS 15 15 11609 2 . LYS 16 16 11609 2 . GLY 17 17 11609 2 . SER 18 18 11609 2 . LYS 19 19 11609 2 . LYS 20 20 11609 2 . ALA 21 21 11609 2 . VAL 22 22 11609 2 . THR 23 23 11609 2 . LYS 24 24 11609 2 . ALA 25 25 11609 2 . GLN 26 26 11609 2 . LYS 27 27 11609 2 . LYS 28 28 11609 2 . ASP 29 29 11609 2 . GLY 30 30 11609 2 . LYS 31 31 11609 2 . LYS 32 32 11609 2 . ARG 33 33 11609 2 . LYS 34 34 11609 2 . ARG 35 35 11609 2 . SER 36 36 11609 2 . ARG 37 37 11609 2 . LYS 38 38 11609 2 . GLU 39 39 11609 2 . SER 40 40 11609 2 . TYR 41 41 11609 2 . SER 42 42 11609 2 . ILE 43 43 11609 2 . TYR 44 44 11609 2 . VAL 45 45 11609 2 . TYR 46 46 11609 2 . LYS 47 47 11609 2 . VAL 48 48 11609 2 . LEU 49 49 11609 2 . LYS 50 50 11609 2 . GLN 51 51 11609 2 . VAL 52 52 11609 2 . HIS 53 53 11609 2 . PRO 54 54 11609 2 . ASP 55 55 11609 2 . THR 56 56 11609 2 . GLY 57 57 11609 2 . ILE 58 58 11609 2 . SER 59 59 11609 2 . SER 60 60 11609 2 . LYS 61 61 11609 2 . ALA 62 62 11609 2 . MET 63 63 11609 2 . GLY 64 64 11609 2 . ILE 65 65 11609 2 . MET 66 66 11609 2 . ASN 67 67 11609 2 . SER 68 68 11609 2 . PHE 69 69 11609 2 . VAL 70 70 11609 2 . ASN 71 71 11609 2 . ASP 72 72 11609 2 . ILE 73 73 11609 2 . PHE 74 74 11609 2 . GLU 75 75 11609 2 . ARG 76 76 11609 2 . ILE 77 77 11609 2 . ALA 78 78 11609 2 . GLY 79 79 11609 2 . GLU 80 80 11609 2 . ALA 81 81 11609 2 . SER 82 82 11609 2 . ARG 83 83 11609 2 . LEU 84 84 11609 2 . ALA 85 85 11609 2 . HIS 86 86 11609 2 . TYR 87 87 11609 2 . ASN 88 88 11609 2 . LYS 89 89 11609 2 . ARG 90 90 11609 2 . SER 91 91 11609 2 . THR 92 92 11609 2 . ILE 93 93 11609 2 . THR 94 94 11609 2 . SER 95 95 11609 2 . ARG 96 96 11609 2 . GLU 97 97 11609 2 . ILE 98 98 11609 2 . GLN 99 99 11609 2 . THR 100 100 11609 2 . ALA 101 101 11609 2 . VAL 102 102 11609 2 . ARG 103 103 11609 2 . LEU 104 104 11609 2 . LEU 105 105 11609 2 . LEU 106 106 11609 2 . PRO 107 107 11609 2 . GLY 108 108 11609 2 . GLU 109 109 11609 2 . LEU 110 110 11609 2 . ALA 111 111 11609 2 . LYS 112 112 11609 2 . HIS 113 113 11609 2 . ALA 114 114 11609 2 . VAL 115 115 11609 2 . SER 116 116 11609 2 . GLU 117 117 11609 2 . GLY 118 118 11609 2 . THR 119 119 11609 2 . LYS 120 120 11609 2 . ALA 121 121 11609 2 . VAL 122 122 11609 2 . THR 123 123 11609 2 . LYS 124 124 11609 2 . TYR 125 125 11609 2 . THR 126 126 11609 2 . SER 127 127 11609 2 . ALA 128 128 11609 2 . LYS 129 129 11609 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 11609 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 11609 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 11609 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 11609 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET-23b . . . 11609 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET-23b . . . 11609 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11609 _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 entity_1 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . protein . 0.1 0.3 mM . . . . 11609 1 2 entity_2 '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . protein . 0.1 0.3 mM . . . . 11609 1 3 MES 'natural abundance' . . . . . buffer 25 . . mM . . . . 11609 1 4 KCl 'natural abundance' . . . . . salt 400 . . mM . . . . 11609 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11609 1 6 D2O '[U-99% 2H]' . . . . . solvent 10 . . % . . . . 11609 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 11609 _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' 400 . mM 11609 1 pH 6.0 . pH 11609 1 pressure 1 . atm 11609 1 temperature 293 . K 11609 1 stop_ save_ ############################ # Computer software used # ############################ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 11609 _Software.ID 1 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 11609 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 11609 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 11609 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11609 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11609 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 11609 1 2 spectrometer_2 Bruker Avance . 800 . . . 11609 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 11609 _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 TROSY-HN(CO)CACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11609 1 2 TROSY-HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11609 1 3 TROSY-HN(CA)CO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11609 1 4 TROSY-HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11609 1 5 HCCCONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11609 1 6 'TROSY-1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11609 1 7 'TROSY-1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11609 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 11609 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11609 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11609 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11609 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 11609 _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 TROSY-HN(CO)CACB 1 $sample_1 isotropic 11609 1 2 TROSY-HNCACB 1 $sample_1 isotropic 11609 1 3 TROSY-HN(CA)CO 1 $sample_1 isotropic 11609 1 4 TROSY-HNCO 1 $sample_1 isotropic 11609 1 5 HCCCONH 1 $sample_1 isotropic 11609 1 6 'TROSY-1H-15N HSQC' 1 $sample_1 isotropic 11609 1 7 'TROSY-1H-13C HSQC' 1 $sample_1 isotropic 11609 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 2 2 PRO C C 13 177.548 0.276 . 1 . . . C -2 PRO C . 11609 1 2 . 1 1 2 2 PRO CA C 13 62.993 0.986 . 1 . . . C -2 PRO CA . 11609 1 3 . 1 1 2 2 PRO CB C 13 31.406 0.986 . 1 . . . C -2 PRO CB . 11609 1 4 . 1 1 3 3 GLY H H 1 8.541 0.012 . 1 . . . C -1 GLY H . 11609 1 5 . 1 1 3 3 GLY C C 13 174.366 0.276 . 1 . . . C -1 GLY C . 11609 1 6 . 1 1 3 3 GLY CA C 13 44.828 0.986 . 1 . . . C -1 GLY CA . 11609 1 7 . 1 1 3 3 GLY N N 15 110.514 0.188 . 1 . . . C -1 GLY N . 11609 1 8 . 1 1 4 4 MET H H 1 8.260 0.012 . 1 . . . C 0 MET H . 11609 1 9 . 1 1 4 4 MET C C 13 176.730 0.276 . 1 . . . C 0 MET C . 11609 1 10 . 1 1 4 4 MET CA C 13 55.138 0.986 . 1 . . . C 0 MET CA . 11609 1 11 . 1 1 4 4 MET CB C 13 31.934 0.986 . 1 . . . C 0 MET CB . 11609 1 12 . 1 1 4 4 MET N N 15 120.866 0.188 . 1 . . . C 0 MET N . 11609 1 13 . 1 1 5 5 SER H H 1 8.386 0.012 . 1 . . . C 1 SER H . 11609 1 14 . 1 1 5 5 SER C C 13 175.203 0.276 . 1 . . . C 1 SER C . 11609 1 15 . 1 1 5 5 SER CA C 13 58.292 0.986 . 1 . . . C 1 SER CA . 11609 1 16 . 1 1 5 5 SER CB C 13 63.375 0.986 . 1 . . . C 1 SER CB . 11609 1 17 . 1 1 5 5 SER N N 15 117.729 0.188 . 1 . . . C 1 SER N . 11609 1 18 . 1 1 6 6 GLY H H 1 8.401 0.012 . 1 . . . C 2 GLY H . 11609 1 19 . 1 1 6 6 GLY C C 13 174.362 0.276 . 1 . . . C 2 GLY C . 11609 1 20 . 1 1 6 6 GLY CA C 13 44.920 0.986 . 1 . . . C 2 GLY CA . 11609 1 21 . 1 1 6 6 GLY N N 15 111.579 0.188 . 1 . . . C 2 GLY N . 11609 1 22 . 1 1 7 7 ARG H H 1 8.152 0.012 . 1 . . . C 3 ARG H . 11609 1 23 . 1 1 7 7 ARG C C 13 177.127 0.276 . 1 . . . C 3 ARG C . 11609 1 24 . 1 1 7 7 ARG CA C 13 56.112 0.986 . 1 . . . C 3 ARG CA . 11609 1 25 . 1 1 7 7 ARG CB C 13 29.588 0.986 . 1 . . . C 3 ARG CB . 11609 1 26 . 1 1 7 7 ARG N N 15 121.108 0.188 . 1 . . . C 3 ARG N . 11609 1 27 . 1 1 8 8 GLY H H 1 8.420 0.012 . 1 . . . C 4 GLY H . 11609 1 28 . 1 1 8 8 GLY C C 13 174.344 0.276 . 1 . . . C 4 GLY C . 11609 1 29 . 1 1 8 8 GLY CA C 13 44.780 0.986 . 1 . . . C 4 GLY CA . 11609 1 30 . 1 1 8 8 GLY N N 15 110.586 0.188 . 1 . . . C 4 GLY N . 11609 1 31 . 1 1 9 9 LYS H H 1 8.206 0.012 . 1 . . . C 5 LYS H . 11609 1 32 . 1 1 9 9 LYS C C 13 177.046 0.276 . 1 . . . C 5 LYS C . 11609 1 33 . 1 1 9 9 LYS CA C 13 56.070 0.986 . 1 . . . C 5 LYS CA . 11609 1 34 . 1 1 9 9 LYS CB C 13 31.836 0.986 . 1 . . . C 5 LYS CB . 11609 1 35 . 1 1 9 9 LYS N N 15 121.771 0.188 . 1 . . . C 5 LYS N . 11609 1 36 . 1 1 10 10 GLN H H 1 8.469 0.012 . 1 . . . C 6 GLN H . 11609 1 37 . 1 1 10 10 GLN C C 13 176.702 0.276 . 1 . . . C 6 GLN C . 11609 1 38 . 1 1 10 10 GLN CA C 13 55.728 0.986 . 1 . . . C 6 GLN CA . 11609 1 39 . 1 1 10 10 GLN CB C 13 28.451 0.986 . 1 . . . C 6 GLN CB . 11609 1 40 . 1 1 10 10 GLN N N 15 122.070 0.188 . 1 . . . C 6 GLN N . 11609 1 41 . 1 1 11 11 GLY H H 1 8.405 0.012 . 1 . . . C 7 GLY H . 11609 1 42 . 1 1 11 11 GLY C C 13 174.791 0.276 . 1 . . . C 7 GLY C . 11609 1 43 . 1 1 11 11 GLY CA C 13 44.870 0.986 . 1 . . . C 7 GLY CA . 11609 1 44 . 1 1 11 11 GLY N N 15 110.951 0.188 . 1 . . . C 7 GLY N . 11609 1 45 . 1 1 12 12 GLY H H 1 8.250 0.012 . 1 . . . C 8 GLY H . 11609 1 46 . 1 1 12 12 GLY C C 13 174.375 0.276 . 1 . . . C 8 GLY C . 11609 1 47 . 1 1 12 12 GLY CA C 13 44.826 0.986 . 1 . . . C 8 GLY CA . 11609 1 48 . 1 1 12 12 GLY N N 15 109.623 0.188 . 1 . . . C 8 GLY N . 11609 1 49 . 1 1 13 13 LYS H H 1 8.167 0.012 . 1 . . . C 9 LYS H . 11609 1 50 . 1 1 13 13 LYS C C 13 176.720 0.276 . 1 . . . C 9 LYS C . 11609 1 51 . 1 1 13 13 LYS CA C 13 55.941 0.986 . 1 . . . C 9 LYS CA . 11609 1 52 . 1 1 13 13 LYS CB C 13 31.935 0.986 . 1 . . . C 9 LYS CB . 11609 1 53 . 1 1 13 13 LYS N N 15 121.833 0.188 . 1 . . . C 9 LYS N . 11609 1 54 . 1 1 14 14 ALA H H 1 8.268 0.012 . 1 . . . C 10 ALA H . 11609 1 55 . 1 1 14 14 ALA C C 13 177.981 0.276 . 1 . . . C 10 ALA C . 11609 1 56 . 1 1 14 14 ALA CA C 13 52.197 0.986 . 1 . . . C 10 ALA CA . 11609 1 57 . 1 1 14 14 ALA CB C 13 18.246 0.986 . 1 . . . C 10 ALA CB . 11609 1 58 . 1 1 14 14 ALA N N 15 125.795 0.188 . 1 . . . C 10 ALA N . 11609 1 59 . 1 1 15 15 ARG H H 1 8.243 0.012 . 1 . . . C 11 ARG H . 11609 1 60 . 1 1 15 15 ARG C C 13 176.419 0.276 . 1 . . . C 11 ARG C . 11609 1 61 . 1 1 15 15 ARG CA C 13 55.908 0.986 . 1 . . . C 11 ARG CA . 11609 1 62 . 1 1 15 15 ARG CB C 13 29.721 0.986 . 1 . . . C 11 ARG CB . 11609 1 63 . 1 1 15 15 ARG N N 15 121.476 0.188 . 1 . . . C 11 ARG N . 11609 1 64 . 1 1 16 16 ALA H H 1 8.250 0.012 . 1 . . . C 12 ALA H . 11609 1 65 . 1 1 16 16 ALA C C 13 177.911 0.276 . 1 . . . C 12 ALA C . 11609 1 66 . 1 1 16 16 ALA CA C 13 52.285 0.986 . 1 . . . C 12 ALA CA . 11609 1 67 . 1 1 16 16 ALA CB C 13 18.452 0.986 . 1 . . . C 12 ALA CB . 11609 1 68 . 1 1 16 16 ALA N N 15 126.109 0.188 . 1 . . . C 12 ALA N . 11609 1 69 . 1 1 17 17 LYS H H 1 8.232 0.012 . 1 . . . C 13 LYS H . 11609 1 70 . 1 1 17 17 LYS C C 13 176.582 0.276 . 1 . . . C 13 LYS C . 11609 1 71 . 1 1 17 17 LYS CA C 13 55.991 0.986 . 1 . . . C 13 LYS CA . 11609 1 72 . 1 1 17 17 LYS CB C 13 31.928 0.986 . 1 . . . C 13 LYS CB . 11609 1 73 . 1 1 17 17 LYS N N 15 121.678 0.188 . 1 . . . C 13 LYS N . 11609 1 74 . 1 1 18 18 ALA H H 1 8.260 0.012 . 1 . . . C 14 ALA H . 11609 1 75 . 1 1 18 18 ALA C C 13 177.961 0.276 . 1 . . . C 14 ALA C . 11609 1 76 . 1 1 18 18 ALA CA C 13 52.341 0.986 . 1 . . . C 14 ALA CA . 11609 1 77 . 1 1 18 18 ALA CB C 13 18.247 0.986 . 1 . . . C 14 ALA CB . 11609 1 78 . 1 1 18 18 ALA N N 15 126.109 0.188 . 1 . . . C 14 ALA N . 11609 1 79 . 1 1 19 19 LYS H H 1 8.357 0.012 . 1 . . . C 15 LYS H . 11609 1 80 . 1 1 19 19 LYS C C 13 177.070 0.276 . 1 . . . C 15 LYS C . 11609 1 81 . 1 1 19 19 LYS CA C 13 55.940 0.986 . 1 . . . C 15 LYS CA . 11609 1 82 . 1 1 19 19 LYS CB C 13 31.942 0.986 . 1 . . . C 15 LYS CB . 11609 1 83 . 1 1 19 19 LYS N N 15 121.953 0.188 . 1 . . . C 15 LYS N . 11609 1 84 . 1 1 20 20 THR H H 1 8.187 0.012 . 1 . . . C 16 THR H . 11609 1 85 . 1 1 20 20 THR C C 13 175.066 0.276 . 1 . . . C 16 THR C . 11609 1 86 . 1 1 20 20 THR CA C 13 61.181 0.986 . 1 . . . C 16 THR CA . 11609 1 87 . 1 1 20 20 THR CB C 13 70.047 0.986 . 1 . . . C 16 THR CB . 11609 1 88 . 1 1 20 20 THR N N 15 115.629 0.188 . 1 . . . C 16 THR N . 11609 1 89 . 1 1 21 21 ARG H H 1 8.560 0.012 . 1 . . . C 17 ARG H . 11609 1 90 . 1 1 21 21 ARG C C 13 176.935 0.276 . 1 . . . C 17 ARG C . 11609 1 91 . 1 1 21 21 ARG CA C 13 57.238 0.986 . 1 . . . C 17 ARG CA . 11609 1 92 . 1 1 21 21 ARG CB C 13 29.948 0.986 . 1 . . . C 17 ARG CB . 11609 1 93 . 1 1 21 21 ARG N N 15 123.906 0.188 . 1 . . . C 17 ARG N . 11609 1 94 . 1 1 22 22 SER H H 1 8.399 0.012 . 1 . . . C 18 SER H . 11609 1 95 . 1 1 22 22 SER C C 13 175.243 0.276 . 1 . . . C 18 SER C . 11609 1 96 . 1 1 22 22 SER CA C 13 59.346 0.986 . 1 . . . C 18 SER CA . 11609 1 97 . 1 1 22 22 SER N N 15 117.119 0.188 . 1 . . . C 18 SER N . 11609 1 98 . 1 1 23 23 SER H H 1 8.333 0.012 . 1 . . . C 19 SER H . 11609 1 99 . 1 1 23 23 SER C C 13 174.726 0.276 . 1 . . . C 19 SER C . 11609 1 100 . 1 1 23 23 SER CA C 13 58.596 0.986 . 1 . . . C 19 SER CA . 11609 1 101 . 1 1 23 23 SER CB C 13 63.326 0.986 . 1 . . . C 19 SER CB . 11609 1 102 . 1 1 23 23 SER N N 15 119.369 0.188 . 1 . . . C 19 SER N . 11609 1 103 . 1 1 24 24 ARG H H 1 8.294 0.012 . 1 . . . C 20 ARG H . 11609 1 104 . 1 1 24 24 ARG C C 13 176.173 0.276 . 1 . . . C 20 ARG C . 11609 1 105 . 1 1 24 24 ARG CA C 13 56.017 0.986 . 1 . . . C 20 ARG CA . 11609 1 106 . 1 1 24 24 ARG CB C 13 29.295 0.986 . 1 . . . C 20 ARG CB . 11609 1 107 . 1 1 24 24 ARG N N 15 123.565 0.188 . 1 . . . C 20 ARG N . 11609 1 108 . 1 1 25 25 ALA H H 1 8.533 0.012 . 9 . . . C 21 ALA H . 11609 1 109 . 1 1 25 25 ALA C C 13 177.031 0.276 . 9 . . . C 21 ALA C . 11609 1 110 . 1 1 25 25 ALA CA C 13 52.054 0.986 . 9 . . . C 21 ALA CA . 11609 1 111 . 1 1 25 25 ALA CB C 13 19.159 0.986 . 9 . . . C 21 ALA CB . 11609 1 112 . 1 1 25 25 ALA N N 15 126.891 0.188 . 9 . . . C 21 ALA N . 11609 1 113 . 1 1 26 26 GLY H H 1 7.974 0.012 . 1 . . . C 22 GLY H . 11609 1 114 . 1 1 26 26 GLY C C 13 173.899 0.276 . 1 . . . C 22 GLY C . 11609 1 115 . 1 1 26 26 GLY CA C 13 44.749 0.986 . 1 . . . C 22 GLY CA . 11609 1 116 . 1 1 26 26 GLY N N 15 107.868 0.188 . 1 . . . C 22 GLY N . 11609 1 117 . 1 1 27 27 LEU H H 1 8.008 0.012 . 1 . . . C 23 LEU H . 11609 1 118 . 1 1 27 27 LEU CA C 13 54.278 0.986 . 1 . . . C 23 LEU CA . 11609 1 119 . 1 1 27 27 LEU CB C 13 42.521 0.986 . 1 . . . C 23 LEU CB . 11609 1 120 . 1 1 27 27 LEU N N 15 121.117 0.188 . 1 . . . C 23 LEU N . 11609 1 121 . 1 1 30 30 PRO C C 13 175.842 0.276 . 9 . . . C 26 PRO C . 11609 1 122 . 1 1 31 31 VAL H H 1 8.203 0.012 . 1 . . . C 27 VAL H . 11609 1 123 . 1 1 31 31 VAL C C 13 177.893 0.276 . 1 . . . C 27 VAL C . 11609 1 124 . 1 1 31 31 VAL CA C 13 66.474 0.986 . 1 . . . C 27 VAL CA . 11609 1 125 . 1 1 31 31 VAL CB C 13 30.511 0.986 . 1 . . . C 27 VAL CB . 11609 1 126 . 1 1 31 31 VAL N N 15 128.793 0.188 . 1 . . . C 27 VAL N . 11609 1 127 . 1 1 32 32 GLY H H 1 8.777 0.012 . 1 . . . C 28 GLY H . 11609 1 128 . 1 1 32 32 GLY C C 13 177.137 0.276 . 1 . . . C 28 GLY C . 11609 1 129 . 1 1 32 32 GLY CA C 13 46.751 0.986 . 1 . . . C 28 GLY CA . 11609 1 130 . 1 1 32 32 GLY N N 15 108.467 0.188 . 1 . . . C 28 GLY N . 11609 1 131 . 1 1 33 33 ARG H H 1 7.288 0.012 . 1 . . . C 29 ARG H . 11609 1 132 . 1 1 33 33 ARG C C 13 178.241 0.276 . 1 . . . C 29 ARG C . 11609 1 133 . 1 1 33 33 ARG CA C 13 57.762 0.986 . 1 . . . C 29 ARG CA . 11609 1 134 . 1 1 33 33 ARG CB C 13 28.597 0.986 . 1 . . . C 29 ARG CB . 11609 1 135 . 1 1 33 33 ARG N N 15 122.181 0.188 . 1 . . . C 29 ARG N . 11609 1 136 . 1 1 34 34 VAL H H 1 7.730 0.012 . 1 . . . C 30 VAL H . 11609 1 137 . 1 1 34 34 VAL C C 13 177.500 0.276 . 1 . . . C 30 VAL C . 11609 1 138 . 1 1 34 34 VAL CA C 13 66.896 0.986 . 1 . . . C 30 VAL CA . 11609 1 139 . 1 1 34 34 VAL CB C 13 29.965 0.986 . 1 . . . C 30 VAL CB . 11609 1 140 . 1 1 34 34 VAL N N 15 119.816 0.188 . 1 . . . C 30 VAL N . 11609 1 141 . 1 1 35 35 HIS H H 1 8.714 0.012 . 1 . . . C 31 HIS H . 11609 1 142 . 1 1 35 35 HIS C C 13 177.384 0.276 . 1 . . . C 31 HIS C . 11609 1 143 . 1 1 35 35 HIS CA C 13 59.690 0.986 . 1 . . . C 31 HIS CA . 11609 1 144 . 1 1 35 35 HIS CB C 13 30.757 0.986 . 1 . . . C 31 HIS CB . 11609 1 145 . 1 1 35 35 HIS N N 15 120.545 0.188 . 1 . . . C 31 HIS N . 11609 1 146 . 1 1 36 36 ARG H H 1 8.020 0.012 . 1 . . . C 32 ARG H . 11609 1 147 . 1 1 36 36 ARG C C 13 179.027 0.276 . 1 . . . C 32 ARG C . 11609 1 148 . 1 1 36 36 ARG CA C 13 59.828 0.986 . 1 . . . C 32 ARG CA . 11609 1 149 . 1 1 36 36 ARG CB C 13 28.990 0.986 . 1 . . . C 32 ARG CB . 11609 1 150 . 1 1 36 36 ARG N N 15 119.205 0.188 . 1 . . . C 32 ARG N . 11609 1 151 . 1 1 37 37 LEU H H 1 8.379 0.012 . 1 . . . C 33 LEU H . 11609 1 152 . 1 1 37 37 LEU C C 13 181.339 0.276 . 1 . . . C 33 LEU C . 11609 1 153 . 1 1 37 37 LEU CA C 13 57.529 0.986 . 1 . . . C 33 LEU CA . 11609 1 154 . 1 1 37 37 LEU CB C 13 44.975 0.986 . 1 . . . C 33 LEU CB . 11609 1 155 . 1 1 37 37 LEU N N 15 120.346 0.188 . 1 . . . C 33 LEU N . 11609 1 156 . 1 1 38 38 LEU H H 1 8.420 0.012 . 1 . . . C 34 LEU H . 11609 1 157 . 1 1 38 38 LEU C C 13 178.942 0.276 . 1 . . . C 34 LEU C . 11609 1 158 . 1 1 38 38 LEU CA C 13 57.388 0.986 . 1 . . . C 34 LEU CA . 11609 1 159 . 1 1 38 38 LEU CB C 13 41.876 0.986 . 1 . . . C 34 LEU CB . 11609 1 160 . 1 1 38 38 LEU N N 15 120.424 0.188 . 1 . . . C 34 LEU N . 11609 1 161 . 1 1 39 39 ARG H H 1 7.995 0.012 . 1 . . . C 35 ARG H . 11609 1 162 . 1 1 39 39 ARG C C 13 179.353 0.276 . 1 . . . C 35 ARG C . 11609 1 163 . 1 1 39 39 ARG CA C 13 57.977 0.986 . 1 . . . C 35 ARG CA . 11609 1 164 . 1 1 39 39 ARG CB C 13 29.504 0.986 . 1 . . . C 35 ARG CB . 11609 1 165 . 1 1 39 39 ARG N N 15 118.672 0.188 . 1 . . . C 35 ARG N . 11609 1 166 . 1 1 40 40 LYS C C 13 177.974 0.276 . 9 . . . C 36 LYS C . 11609 1 167 . 1 1 41 41 GLY H H 1 7.577 0.012 . 1 . . . C 37 GLY H . 11609 1 168 . 1 1 41 41 GLY C C 13 173.043 0.276 . 1 . . . C 37 GLY C . 11609 1 169 . 1 1 41 41 GLY CA C 13 44.901 0.986 . 1 . . . C 37 GLY CA . 11609 1 170 . 1 1 41 41 GLY N N 15 104.641 0.188 . 1 . . . C 37 GLY N . 11609 1 171 . 1 1 42 42 ASN H H 1 7.887 0.012 . 1 . . . C 38 ASN H . 11609 1 172 . 1 1 42 42 ASN C C 13 174.920 0.276 . 1 . . . C 38 ASN C . 11609 1 173 . 1 1 42 42 ASN CA C 13 53.639 0.986 . 1 . . . C 38 ASN CA . 11609 1 174 . 1 1 42 42 ASN CB C 13 36.192 0.986 . 1 . . . C 38 ASN CB . 11609 1 175 . 1 1 42 42 ASN N N 15 116.012 0.188 . 1 . . . C 38 ASN N . 11609 1 176 . 1 1 43 43 TYR H H 1 7.789 0.012 . 1 . . . C 39 TYR H . 11609 1 177 . 1 1 43 43 TYR C C 13 176.408 0.276 . 1 . . . C 39 TYR C . 11609 1 178 . 1 1 43 43 TYR CA C 13 59.646 0.986 . 1 . . . C 39 TYR CA . 11609 1 179 . 1 1 43 43 TYR CB C 13 37.884 0.986 . 1 . . . C 39 TYR CB . 11609 1 180 . 1 1 43 43 TYR N N 15 117.496 0.188 . 1 . . . C 39 TYR N . 11609 1 181 . 1 1 44 44 SER H H 1 8.008 0.012 . 1 . . . C 40 SER H . 11609 1 182 . 1 1 44 44 SER C C 13 173.319 0.276 . 1 . . . C 40 SER C . 11609 1 183 . 1 1 44 44 SER CA C 13 58.083 0.986 . 1 . . . C 40 SER CA . 11609 1 184 . 1 1 44 44 SER CB C 13 62.960 0.986 . 1 . . . C 40 SER CB . 11609 1 185 . 1 1 44 44 SER N N 15 112.299 0.188 . 1 . . . C 40 SER N . 11609 1 186 . 1 1 45 45 GLU H H 1 8.497 0.012 . 1 . . . C 41 GLU H . 11609 1 187 . 1 1 45 45 GLU C C 13 177.268 0.276 . 1 . . . C 41 GLU C . 11609 1 188 . 1 1 45 45 GLU CA C 13 58.674 0.986 . 1 . . . C 41 GLU CA . 11609 1 189 . 1 1 45 45 GLU CB C 13 29.429 0.986 . 1 . . . C 41 GLU CB . 11609 1 190 . 1 1 45 45 GLU N N 15 122.123 0.188 . 1 . . . C 41 GLU N . 11609 1 191 . 1 1 46 46 ARG H H 1 8.081 0.012 . 1 . . . C 42 ARG H . 11609 1 192 . 1 1 46 46 ARG C C 13 175.820 0.276 . 1 . . . C 42 ARG C . 11609 1 193 . 1 1 46 46 ARG CA C 13 54.312 0.986 . 1 . . . C 42 ARG CA . 11609 1 194 . 1 1 46 46 ARG CB C 13 32.728 0.986 . 1 . . . C 42 ARG CB . 11609 1 195 . 1 1 46 46 ARG N N 15 115.955 0.188 . 1 . . . C 42 ARG N . 11609 1 196 . 1 1 47 47 VAL H H 1 8.887 0.012 . 1 . . . C 43 VAL H . 11609 1 197 . 1 1 47 47 VAL C C 13 175.906 0.276 . 1 . . . C 43 VAL C . 11609 1 198 . 1 1 47 47 VAL CA C 13 60.932 0.986 . 1 . . . C 43 VAL CA . 11609 1 199 . 1 1 47 47 VAL CB C 13 33.492 0.986 . 1 . . . C 43 VAL CB . 11609 1 200 . 1 1 47 47 VAL N N 15 125.253 0.188 . 1 . . . C 43 VAL N . 11609 1 201 . 1 1 48 48 GLY H H 1 9.091 0.012 . 1 . . . C 44 GLY H . 11609 1 202 . 1 1 48 48 GLY C C 13 174.398 0.276 . 1 . . . C 44 GLY C . 11609 1 203 . 1 1 48 48 GLY CA C 13 44.987 0.986 . 1 . . . C 44 GLY CA . 11609 1 204 . 1 1 48 48 GLY N N 15 116.725 0.188 . 1 . . . C 44 GLY N . 11609 1 205 . 1 1 49 49 ALA H H 1 8.506 0.012 . 1 . . . C 45 ALA H . 11609 1 206 . 1 1 49 49 ALA C C 13 179.204 0.276 . 1 . . . C 45 ALA C . 11609 1 207 . 1 1 49 49 ALA CA C 13 54.755 0.986 . 1 . . . C 45 ALA CA . 11609 1 208 . 1 1 49 49 ALA CB C 13 18.026 0.986 . 1 . . . C 45 ALA CB . 11609 1 209 . 1 1 49 49 ALA N N 15 123.009 0.188 . 1 . . . C 45 ALA N . 11609 1 210 . 1 1 50 50 GLY H H 1 8.609 0.012 . 1 . . . C 46 GLY H . 11609 1 211 . 1 1 50 50 GLY C C 13 175.483 0.276 . 1 . . . C 46 GLY C . 11609 1 212 . 1 1 50 50 GLY CA C 13 45.213 0.986 . 1 . . . C 46 GLY CA . 11609 1 213 . 1 1 50 50 GLY N N 15 105.477 0.188 . 1 . . . C 46 GLY N . 11609 1 214 . 1 1 51 51 ALA H H 1 7.419 0.012 . 1 . . . C 47 ALA H . 11609 1 215 . 1 1 51 51 ALA C C 13 175.270 0.276 . 1 . . . C 47 ALA C . 11609 1 216 . 1 1 51 51 ALA CA C 13 56.116 0.986 . 1 . . . C 47 ALA CA . 11609 1 217 . 1 1 51 51 ALA CB C 13 15.207 0.986 . 1 . . . C 47 ALA CB . 11609 1 218 . 1 1 51 51 ALA N N 15 125.030 0.188 . 1 . . . C 47 ALA N . 11609 1 219 . 1 1 52 52 PRO C C 13 177.331 0.276 . 1 . . . C 48 PRO C . 11609 1 220 . 1 1 52 52 PRO CA C 13 64.927 0.986 . 1 . . . C 48 PRO CA . 11609 1 221 . 1 1 52 52 PRO CB C 13 31.181 0.986 . 1 . . . C 48 PRO CB . 11609 1 222 . 1 1 53 53 VAL H H 1 6.208 0.012 . 1 . . . C 49 VAL H . 11609 1 223 . 1 1 53 53 VAL C C 13 176.149 0.276 . 1 . . . C 49 VAL C . 11609 1 224 . 1 1 53 53 VAL CA C 13 65.027 0.986 . 1 . . . C 49 VAL CA . 11609 1 225 . 1 1 53 53 VAL CB C 13 30.379 0.986 . 1 . . . C 49 VAL CB . 11609 1 226 . 1 1 53 53 VAL N N 15 118.853 0.188 . 1 . . . C 49 VAL N . 11609 1 227 . 1 1 54 54 TYR H H 1 7.879 0.012 . 1 . . . C 50 TYR H . 11609 1 228 . 1 1 54 54 TYR C C 13 178.798 0.276 . 1 . . . C 50 TYR C . 11609 1 229 . 1 1 54 54 TYR CA C 13 60.040 0.986 . 1 . . . C 50 TYR CA . 11609 1 230 . 1 1 54 54 TYR CB C 13 37.587 0.986 . 1 . . . C 50 TYR CB . 11609 1 231 . 1 1 54 54 TYR N N 15 120.690 0.188 . 1 . . . C 50 TYR N . 11609 1 232 . 1 1 55 55 LEU H H 1 8.280 0.012 . 1 . . . C 51 LEU H . 11609 1 233 . 1 1 55 55 LEU CA C 13 57.878 0.986 . 1 . . . C 51 LEU CA . 11609 1 234 . 1 1 55 55 LEU CB C 13 40.949 0.986 . 1 . . . C 51 LEU CB . 11609 1 235 . 1 1 55 55 LEU N N 15 116.102 0.188 . 1 . . . C 51 LEU N . 11609 1 236 . 1 1 56 56 ALA H H 1 8.428 0.012 . 1 . . . C 52 ALA H . 11609 1 237 . 1 1 56 56 ALA C C 13 178.463 0.276 . 1 . . . C 52 ALA C . 11609 1 238 . 1 1 56 56 ALA CA C 13 55.480 0.986 . 1 . . . C 52 ALA CA . 11609 1 239 . 1 1 56 56 ALA CB C 13 17.182 0.986 . 1 . . . C 52 ALA CB . 11609 1 240 . 1 1 56 56 ALA N N 15 121.302 0.188 . 1 . . . C 52 ALA N . 11609 1 241 . 1 1 57 57 ALA H H 1 7.777 0.012 . 1 . . . C 53 ALA H . 11609 1 242 . 1 1 57 57 ALA C C 13 180.622 0.276 . 1 . . . C 53 ALA C . 11609 1 243 . 1 1 57 57 ALA CA C 13 54.298 0.986 . 1 . . . C 53 ALA CA . 11609 1 244 . 1 1 57 57 ALA CB C 13 18.260 0.986 . 1 . . . C 53 ALA CB . 11609 1 245 . 1 1 57 57 ALA N N 15 119.188 0.188 . 1 . . . C 53 ALA N . 11609 1 246 . 1 1 58 58 VAL H H 1 7.868 0.012 . 1 . . . C 54 VAL H . 11609 1 247 . 1 1 58 58 VAL C C 13 177.276 0.276 . 1 . . . C 54 VAL C . 11609 1 248 . 1 1 58 58 VAL CA C 13 67.111 0.986 . 1 . . . C 54 VAL CA . 11609 1 249 . 1 1 58 58 VAL CB C 13 30.870 0.986 . 1 . . . C 54 VAL CB . 11609 1 250 . 1 1 58 58 VAL N N 15 120.523 0.188 . 1 . . . C 54 VAL N . 11609 1 251 . 1 1 59 59 LEU H H 1 8.242 0.012 . 1 . . . C 55 LEU H . 11609 1 252 . 1 1 59 59 LEU C C 13 179.483 0.276 . 1 . . . C 55 LEU C . 11609 1 253 . 1 1 59 59 LEU CA C 13 57.427 0.986 . 1 . . . C 55 LEU CA . 11609 1 254 . 1 1 59 59 LEU CB C 13 40.123 0.986 . 1 . . . C 55 LEU CB . 11609 1 255 . 1 1 59 59 LEU N N 15 118.799 0.188 . 1 . . . C 55 LEU N . 11609 1 256 . 1 1 60 60 GLU H H 1 8.086 0.012 . 1 . . . C 56 GLU H . 11609 1 257 . 1 1 60 60 GLU C C 13 176.877 0.276 . 1 . . . C 56 GLU C . 11609 1 258 . 1 1 60 60 GLU CA C 13 59.786 0.986 . 1 . . . C 56 GLU CA . 11609 1 259 . 1 1 60 60 GLU CB C 13 28.544 0.986 . 1 . . . C 56 GLU CB . 11609 1 260 . 1 1 60 60 GLU N N 15 123.212 0.188 . 1 . . . C 56 GLU N . 11609 1 261 . 1 1 61 61 TYR H H 1 7.849 0.012 . 1 . . . C 57 TYR H . 11609 1 262 . 1 1 61 61 TYR C C 13 176.870 0.276 . 1 . . . C 57 TYR C . 11609 1 263 . 1 1 61 61 TYR CA C 13 60.358 0.986 . 1 . . . C 57 TYR CA . 11609 1 264 . 1 1 61 61 TYR CB C 13 37.260 0.986 . 1 . . . C 57 TYR CB . 11609 1 265 . 1 1 61 61 TYR N N 15 119.949 0.188 . 1 . . . C 57 TYR N . 11609 1 266 . 1 1 62 62 LEU H H 1 8.019 0.012 . 1 . . . C 58 LEU H . 11609 1 267 . 1 1 62 62 LEU C C 13 178.128 0.276 . 1 . . . C 58 LEU C . 11609 1 268 . 1 1 62 62 LEU CA C 13 57.266 0.986 . 1 . . . C 58 LEU CA . 11609 1 269 . 1 1 62 62 LEU CB C 13 40.969 0.986 . 1 . . . C 58 LEU CB . 11609 1 270 . 1 1 62 62 LEU N N 15 117.869 0.188 . 1 . . . C 58 LEU N . 11609 1 271 . 1 1 63 63 THR H H 1 7.747 0.012 . 9 . . . C 59 THR H . 11609 1 272 . 1 1 63 63 THR C C 13 176.685 0.276 . 9 . . . C 59 THR C . 11609 1 273 . 1 1 63 63 THR CA C 13 61.930 0.986 . 9 . . . C 59 THR CA . 11609 1 274 . 1 1 63 63 THR CB C 13 69.403 0.986 . 9 . . . C 59 THR CB . 11609 1 275 . 1 1 63 63 THR N N 15 115.836 0.188 . 9 . . . C 59 THR N . 11609 1 276 . 1 1 64 64 ALA H H 1 8.395 0.012 . 1 . . . C 60 ALA H . 11609 1 277 . 1 1 64 64 ALA C C 13 179.274 0.276 . 1 . . . C 60 ALA C . 11609 1 278 . 1 1 64 64 ALA CA C 13 55.618 0.986 . 1 . . . C 60 ALA CA . 11609 1 279 . 1 1 64 64 ALA CB C 13 16.692 0.986 . 1 . . . C 60 ALA CB . 11609 1 280 . 1 1 64 64 ALA N N 15 124.065 0.188 . 1 . . . C 60 ALA N . 11609 1 281 . 1 1 65 65 GLU H H 1 7.972 0.012 . 1 . . . C 61 GLU H . 11609 1 282 . 1 1 65 65 GLU C C 13 178.639 0.276 . 1 . . . C 61 GLU C . 11609 1 283 . 1 1 65 65 GLU CA C 13 58.703 0.986 . 1 . . . C 61 GLU CA . 11609 1 284 . 1 1 65 65 GLU CB C 13 27.683 0.986 . 1 . . . C 61 GLU CB . 11609 1 285 . 1 1 65 65 GLU N N 15 119.968 0.188 . 1 . . . C 61 GLU N . 11609 1 286 . 1 1 66 66 ILE H H 1 7.947 0.012 . 1 . . . C 62 ILE H . 11609 1 287 . 1 1 66 66 ILE C C 13 178.318 0.276 . 1 . . . C 62 ILE C . 11609 1 288 . 1 1 66 66 ILE CA C 13 65.329 0.986 . 1 . . . C 62 ILE CA . 11609 1 289 . 1 1 66 66 ILE CB C 13 37.944 0.986 . 1 . . . C 62 ILE CB . 11609 1 290 . 1 1 66 66 ILE N N 15 117.922 0.188 . 1 . . . C 62 ILE N . 11609 1 291 . 1 1 67 67 LEU H H 1 8.409 0.012 . 1 . . . C 63 LEU H . 11609 1 292 . 1 1 67 67 LEU C C 13 180.247 0.276 . 1 . . . C 63 LEU C . 11609 1 293 . 1 1 67 67 LEU CA C 13 57.487 0.986 . 1 . . . C 63 LEU CA . 11609 1 294 . 1 1 67 67 LEU CB C 13 41.087 0.986 . 1 . . . C 63 LEU CB . 11609 1 295 . 1 1 67 67 LEU N N 15 117.178 0.188 . 1 . . . C 63 LEU N . 11609 1 296 . 1 1 68 68 GLU H H 1 9.022 0.012 . 1 . . . C 64 GLU H . 11609 1 297 . 1 1 68 68 GLU C C 13 180.054 0.276 . 1 . . . C 64 GLU C . 11609 1 298 . 1 1 68 68 GLU CA C 13 59.142 0.986 . 1 . . . C 64 GLU CA . 11609 1 299 . 1 1 68 68 GLU CB C 13 27.852 0.986 . 1 . . . C 64 GLU CB . 11609 1 300 . 1 1 68 68 GLU N N 15 123.522 0.188 . 1 . . . C 64 GLU N . 11609 1 301 . 1 1 69 69 LEU H H 1 7.633 0.012 . 1 . . . C 65 LEU H . 11609 1 302 . 1 1 69 69 LEU C C 13 180.923 0.276 . 1 . . . C 65 LEU C . 11609 1 303 . 1 1 69 69 LEU CA C 13 57.804 0.986 . 1 . . . C 65 LEU CA . 11609 1 304 . 1 1 69 69 LEU CB C 13 41.068 0.986 . 1 . . . C 65 LEU CB . 11609 1 305 . 1 1 69 69 LEU N N 15 119.960 0.188 . 1 . . . C 65 LEU N . 11609 1 306 . 1 1 70 70 ALA H H 1 9.392 0.012 . 1 . . . C 66 ALA H . 11609 1 307 . 1 1 70 70 ALA C C 13 179.625 0.276 . 1 . . . C 66 ALA C . 11609 1 308 . 1 1 70 70 ALA CA C 13 54.655 0.986 . 1 . . . C 66 ALA CA . 11609 1 309 . 1 1 70 70 ALA CB C 13 18.109 0.986 . 1 . . . C 66 ALA CB . 11609 1 310 . 1 1 70 70 ALA N N 15 125.043 0.188 . 1 . . . C 66 ALA N . 11609 1 311 . 1 1 71 71 GLY H H 1 8.791 0.012 . 1 . . . C 67 GLY H . 11609 1 312 . 1 1 71 71 GLY C C 13 175.601 0.276 . 1 . . . C 67 GLY C . 11609 1 313 . 1 1 71 71 GLY CA C 13 45.217 0.986 . 1 . . . C 67 GLY CA . 11609 1 314 . 1 1 71 71 GLY N N 15 105.671 0.188 . 1 . . . C 67 GLY N . 11609 1 315 . 1 1 72 72 ASN H H 1 7.611 0.012 . 1 . . . C 68 ASN H . 11609 1 316 . 1 1 72 72 ASN C C 13 176.754 0.276 . 1 . . . C 68 ASN C . 11609 1 317 . 1 1 72 72 ASN CA C 13 55.055 0.986 . 1 . . . C 68 ASN CA . 11609 1 318 . 1 1 72 72 ASN CB C 13 36.222 0.986 . 1 . . . C 68 ASN CB . 11609 1 319 . 1 1 72 72 ASN N N 15 123.911 0.188 . 1 . . . C 68 ASN N . 11609 1 320 . 1 1 73 73 ALA H H 1 7.445 0.012 . 1 . . . C 69 ALA H . 11609 1 321 . 1 1 73 73 ALA C C 13 180.098 0.276 . 1 . . . C 69 ALA C . 11609 1 322 . 1 1 73 73 ALA CA C 13 54.563 0.986 . 1 . . . C 69 ALA CA . 11609 1 323 . 1 1 73 73 ALA CB C 13 16.312 0.986 . 1 . . . C 69 ALA CB . 11609 1 324 . 1 1 73 73 ALA N N 15 123.546 0.188 . 1 . . . C 69 ALA N . 11609 1 325 . 1 1 74 74 ALA H H 1 7.671 0.012 . 1 . . . C 70 ALA H . 11609 1 326 . 1 1 74 74 ALA C C 13 179.137 0.276 . 1 . . . C 70 ALA C . 11609 1 327 . 1 1 74 74 ALA CA C 13 54.654 0.986 . 1 . . . C 70 ALA CA . 11609 1 328 . 1 1 74 74 ALA CB C 13 16.215 0.986 . 1 . . . C 70 ALA CB . 11609 1 329 . 1 1 74 74 ALA N N 15 122.731 0.188 . 1 . . . C 70 ALA N . 11609 1 330 . 1 1 75 75 ARG H H 1 7.663 0.012 . 1 . . . C 71 ARG H . 11609 1 331 . 1 1 75 75 ARG C C 13 181.378 0.276 . 1 . . . C 71 ARG C . 11609 1 332 . 1 1 75 75 ARG CA C 13 58.589 0.986 . 1 . . . C 71 ARG CA . 11609 1 333 . 1 1 75 75 ARG CB C 13 28.208 0.986 . 1 . . . C 71 ARG CB . 11609 1 334 . 1 1 75 75 ARG N N 15 119.852 0.188 . 1 . . . C 71 ARG N . 11609 1 335 . 1 1 76 76 ASP H H 1 8.491 0.012 . 1 . . . C 72 ASP H . 11609 1 336 . 1 1 76 76 ASP C C 13 176.776 0.276 . 1 . . . C 72 ASP C . 11609 1 337 . 1 1 76 76 ASP CA C 13 56.630 0.986 . 1 . . . C 72 ASP CA . 11609 1 338 . 1 1 76 76 ASP CB C 13 39.373 0.986 . 1 . . . C 72 ASP CB . 11609 1 339 . 1 1 76 76 ASP N N 15 123.159 0.188 . 1 . . . C 72 ASP N . 11609 1 340 . 1 1 77 77 ASN H H 1 7.327 0.012 . 1 . . . C 73 ASN H . 11609 1 341 . 1 1 77 77 ASN C C 13 173.256 0.276 . 1 . . . C 73 ASN C . 11609 1 342 . 1 1 77 77 ASN CA C 13 52.406 0.986 . 1 . . . C 73 ASN CA . 11609 1 343 . 1 1 77 77 ASN CB C 13 40.015 0.986 . 1 . . . C 73 ASN CB . 11609 1 344 . 1 1 77 77 ASN N N 15 117.520 0.188 . 1 . . . C 73 ASN N . 11609 1 345 . 1 1 78 78 LYS H H 1 8.086 0.012 . 1 . . . C 74 LYS H . 11609 1 346 . 1 1 78 78 LYS C C 13 175.490 0.276 . 1 . . . C 74 LYS C . 11609 1 347 . 1 1 78 78 LYS CA C 13 56.625 0.986 . 1 . . . C 74 LYS CA . 11609 1 348 . 1 1 78 78 LYS CB C 13 27.668 0.986 . 1 . . . C 74 LYS CB . 11609 1 349 . 1 1 78 78 LYS N N 15 115.855 0.188 . 1 . . . C 74 LYS N . 11609 1 350 . 1 1 79 79 LYS H H 1 8.145 0.012 . 1 . . . C 75 LYS H . 11609 1 351 . 1 1 79 79 LYS C C 13 177.098 0.276 . 1 . . . C 75 LYS C . 11609 1 352 . 1 1 79 79 LYS CA C 13 52.610 0.986 . 1 . . . C 75 LYS CA . 11609 1 353 . 1 1 79 79 LYS CB C 13 33.365 0.986 . 1 . . . C 75 LYS CB . 11609 1 354 . 1 1 79 79 LYS N N 15 117.369 0.188 . 1 . . . C 75 LYS N . 11609 1 355 . 1 1 80 80 THR H H 1 8.498 0.012 . 1 . . . C 76 THR H . 11609 1 356 . 1 1 80 80 THR C C 13 173.532 0.276 . 1 . . . C 76 THR C . 11609 1 357 . 1 1 80 80 THR CA C 13 60.981 0.986 . 1 . . . C 76 THR CA . 11609 1 358 . 1 1 80 80 THR CB C 13 68.850 0.986 . 1 . . . C 76 THR CB . 11609 1 359 . 1 1 80 80 THR N N 15 110.241 0.188 . 1 . . . C 76 THR N . 11609 1 360 . 1 1 81 81 ARG H H 1 7.044 0.012 . 1 . . . C 77 ARG H . 11609 1 361 . 1 1 81 81 ARG C C 13 173.962 0.276 . 1 . . . C 77 ARG C . 11609 1 362 . 1 1 81 81 ARG CA C 13 54.241 0.986 . 1 . . . C 77 ARG CA . 11609 1 363 . 1 1 81 81 ARG CB C 13 32.387 0.986 . 1 . . . C 77 ARG CB . 11609 1 364 . 1 1 81 81 ARG N N 15 119.808 0.188 . 1 . . . C 77 ARG N . 11609 1 365 . 1 1 82 82 ILE H H 1 8.477 0.012 . 1 . . . C 78 ILE H . 11609 1 366 . 1 1 82 82 ILE C C 13 174.927 0.276 . 1 . . . C 78 ILE C . 11609 1 367 . 1 1 82 82 ILE CA C 13 61.014 0.986 . 1 . . . C 78 ILE CA . 11609 1 368 . 1 1 82 82 ILE CB C 13 38.908 0.986 . 1 . . . C 78 ILE CB . 11609 1 369 . 1 1 82 82 ILE N N 15 125.251 0.188 . 1 . . . C 78 ILE N . 11609 1 370 . 1 1 83 83 ILE H H 1 8.905 0.012 . 1 . . . C 79 ILE H . 11609 1 371 . 1 1 83 83 ILE C C 13 176.042 0.276 . 1 . . . C 79 ILE C . 11609 1 372 . 1 1 83 83 ILE CA C 13 59.030 0.986 . 1 . . . C 79 ILE CA . 11609 1 373 . 1 1 83 83 ILE CB C 13 35.867 0.986 . 1 . . . C 79 ILE CB . 11609 1 374 . 1 1 83 83 ILE N N 15 125.270 0.188 . 1 . . . C 79 ILE N . 11609 1 375 . 1 1 84 84 PRO C C 13 177.536 0.276 . 1 . . . C 80 PRO C . 11609 1 376 . 1 1 84 84 PRO CA C 13 67.446 0.986 . 1 . . . C 80 PRO CA . 11609 1 377 . 1 1 84 84 PRO CB C 13 30.797 0.986 . 1 . . . C 80 PRO CB . 11609 1 378 . 1 1 85 85 ARG H H 1 8.401 0.012 . 1 . . . C 81 ARG H . 11609 1 379 . 1 1 85 85 ARG C C 13 177.710 0.276 . 1 . . . C 81 ARG C . 11609 1 380 . 1 1 85 85 ARG CA C 13 58.624 0.986 . 1 . . . C 81 ARG CA . 11609 1 381 . 1 1 85 85 ARG CB C 13 28.946 0.986 . 1 . . . C 81 ARG CB . 11609 1 382 . 1 1 85 85 ARG N N 15 116.632 0.188 . 1 . . . C 81 ARG N . 11609 1 383 . 1 1 86 86 HIS H H 1 7.324 0.012 . 1 . . . C 82 HIS H . 11609 1 384 . 1 1 86 86 HIS C C 13 178.505 0.276 . 1 . . . C 82 HIS C . 11609 1 385 . 1 1 86 86 HIS CA C 13 58.066 0.986 . 1 . . . C 82 HIS CA . 11609 1 386 . 1 1 86 86 HIS CB C 13 31.481 0.986 . 1 . . . C 82 HIS CB . 11609 1 387 . 1 1 86 86 HIS N N 15 118.310 0.188 . 1 . . . C 82 HIS N . 11609 1 388 . 1 1 87 87 LEU H H 1 7.075 0.012 . 1 . . . C 83 LEU H . 11609 1 389 . 1 1 87 87 LEU C C 13 177.559 0.276 . 1 . . . C 83 LEU C . 11609 1 390 . 1 1 87 87 LEU CA C 13 57.620 0.986 . 1 . . . C 83 LEU CA . 11609 1 391 . 1 1 87 87 LEU CB C 13 40.981 0.986 . 1 . . . C 83 LEU CB . 11609 1 392 . 1 1 87 87 LEU N N 15 117.458 0.188 . 1 . . . C 83 LEU N . 11609 1 393 . 1 1 88 88 GLN H H 1 8.056 0.012 . 1 . . . C 84 GLN H . 11609 1 394 . 1 1 88 88 GLN C C 13 178.568 0.276 . 1 . . . C 84 GLN C . 11609 1 395 . 1 1 88 88 GLN CA C 13 58.588 0.986 . 1 . . . C 84 GLN CA . 11609 1 396 . 1 1 88 88 GLN CB C 13 27.863 0.986 . 1 . . . C 84 GLN CB . 11609 1 397 . 1 1 88 88 GLN N N 15 117.079 0.188 . 1 . . . C 84 GLN N . 11609 1 398 . 1 1 89 89 LEU H H 1 8.139 0.012 . 1 . . . C 85 LEU H . 11609 1 399 . 1 1 89 89 LEU C C 13 178.267 0.276 . 1 . . . C 85 LEU C . 11609 1 400 . 1 1 89 89 LEU CA C 13 57.391 0.986 . 1 . . . C 85 LEU CA . 11609 1 401 . 1 1 89 89 LEU CB C 13 41.359 0.986 . 1 . . . C 85 LEU CB . 11609 1 402 . 1 1 89 89 LEU N N 15 119.991 0.188 . 1 . . . C 85 LEU N . 11609 1 403 . 1 1 90 90 ALA H H 1 7.753 0.012 . 1 . . . C 86 ALA H . 11609 1 404 . 1 1 90 90 ALA C C 13 179.260 0.276 . 1 . . . C 86 ALA C . 11609 1 405 . 1 1 90 90 ALA CA C 13 53.980 0.986 . 1 . . . C 86 ALA CA . 11609 1 406 . 1 1 90 90 ALA CB C 13 17.240 0.986 . 1 . . . C 86 ALA CB . 11609 1 407 . 1 1 90 90 ALA N N 15 120.134 0.188 . 1 . . . C 86 ALA N . 11609 1 408 . 1 1 91 91 ILE H H 1 7.583 0.012 . 1 . . . C 87 ILE H . 11609 1 409 . 1 1 91 91 ILE C C 13 176.528 0.276 . 1 . . . C 87 ILE C . 11609 1 410 . 1 1 91 91 ILE CA C 13 63.271 0.986 . 1 . . . C 87 ILE CA . 11609 1 411 . 1 1 91 91 ILE CB C 13 36.870 0.986 . 1 . . . C 87 ILE CB . 11609 1 412 . 1 1 91 91 ILE N N 15 114.223 0.188 . 1 . . . C 87 ILE N . 11609 1 413 . 1 1 92 92 ARG H H 1 7.832 0.012 . 1 . . . C 88 ARG H . 11609 1 414 . 1 1 92 92 ARG C C 13 178.599 0.276 . 1 . . . C 88 ARG C . 11609 1 415 . 1 1 92 92 ARG CA C 13 57.934 0.986 . 1 . . . C 88 ARG CA . 11609 1 416 . 1 1 92 92 ARG CB C 13 29.451 0.986 . 1 . . . C 88 ARG CB . 11609 1 417 . 1 1 92 92 ARG N N 15 115.318 0.188 . 1 . . . C 88 ARG N . 11609 1 418 . 1 1 93 93 ASN H H 1 7.672 0.012 . 1 . . . C 89 ASN H . 11609 1 419 . 1 1 93 93 ASN C C 13 173.898 0.276 . 1 . . . C 89 ASN C . 11609 1 420 . 1 1 93 93 ASN CA C 13 53.550 0.986 . 1 . . . C 89 ASN CA . 11609 1 421 . 1 1 93 93 ASN CB C 13 37.979 0.986 . 1 . . . C 89 ASN CB . 11609 1 422 . 1 1 93 93 ASN N N 15 113.713 0.188 . 1 . . . C 89 ASN N . 11609 1 423 . 1 1 94 94 ASP H H 1 7.286 0.012 . 1 . . . C 90 ASP H . 11609 1 424 . 1 1 94 94 ASP C C 13 174.119 0.276 . 1 . . . C 90 ASP C . 11609 1 425 . 1 1 94 94 ASP CA C 13 52.848 0.986 . 1 . . . C 90 ASP CA . 11609 1 426 . 1 1 94 94 ASP CB C 13 43.732 0.986 . 1 . . . C 90 ASP CB . 11609 1 427 . 1 1 94 94 ASP N N 15 122.817 0.188 . 1 . . . C 90 ASP N . 11609 1 428 . 1 1 95 95 GLU H H 1 8.845 0.012 . 1 . . . C 91 GLU H . 11609 1 429 . 1 1 95 95 GLU C C 13 179.207 0.276 . 1 . . . C 91 GLU C . 11609 1 430 . 1 1 95 95 GLU CA C 13 59.805 0.986 . 1 . . . C 91 GLU CA . 11609 1 431 . 1 1 95 95 GLU CB C 13 28.897 0.986 . 1 . . . C 91 GLU CB . 11609 1 432 . 1 1 95 95 GLU N N 15 126.796 0.188 . 1 . . . C 91 GLU N . 11609 1 433 . 1 1 96 96 GLU H H 1 8.101 0.012 . 1 . . . C 92 GLU H . 11609 1 434 . 1 1 96 96 GLU C C 13 178.999 0.276 . 1 . . . C 92 GLU C . 11609 1 435 . 1 1 96 96 GLU CA C 13 60.221 0.986 . 1 . . . C 92 GLU CA . 11609 1 436 . 1 1 96 96 GLU CB C 13 28.038 0.986 . 1 . . . C 92 GLU CB . 11609 1 437 . 1 1 96 96 GLU N N 15 118.126 0.188 . 1 . . . C 92 GLU N . 11609 1 438 . 1 1 97 97 LEU H H 1 9.176 0.012 . 1 . . . C 93 LEU H . 11609 1 439 . 1 1 97 97 LEU C C 13 179.343 0.276 . 1 . . . C 93 LEU C . 11609 1 440 . 1 1 97 97 LEU CA C 13 57.782 0.986 . 1 . . . C 93 LEU CA . 11609 1 441 . 1 1 97 97 LEU CB C 13 40.665 0.986 . 1 . . . C 93 LEU CB . 11609 1 442 . 1 1 97 97 LEU N N 15 121.546 0.188 . 1 . . . C 93 LEU N . 11609 1 443 . 1 1 98 98 ASN H H 1 9.002 0.012 . 1 . . . C 94 ASN H . 11609 1 444 . 1 1 98 98 ASN C C 13 179.225 0.276 . 1 . . . C 94 ASN C . 11609 1 445 . 1 1 98 98 ASN CA C 13 56.791 0.986 . 1 . . . C 94 ASN CA . 11609 1 446 . 1 1 98 98 ASN CB C 13 38.214 0.986 . 1 . . . C 94 ASN CB . 11609 1 447 . 1 1 98 98 ASN N N 15 119.638 0.188 . 1 . . . C 94 ASN N . 11609 1 448 . 1 1 99 99 LYS H H 1 7.552 0.012 . 1 . . . C 95 LYS H . 11609 1 449 . 1 1 99 99 LYS C C 13 178.581 0.276 . 1 . . . C 95 LYS C . 11609 1 450 . 1 1 99 99 LYS CA C 13 58.582 0.986 . 1 . . . C 95 LYS CA . 11609 1 451 . 1 1 99 99 LYS CB C 13 31.485 0.986 . 1 . . . C 95 LYS CB . 11609 1 452 . 1 1 99 99 LYS N N 15 120.110 0.188 . 1 . . . C 95 LYS N . 11609 1 453 . 1 1 100 100 LEU H H 1 7.863 0.012 . 1 . . . C 96 LEU H . 11609 1 454 . 1 1 100 100 LEU C C 13 178.021 0.276 . 1 . . . C 96 LEU C . 11609 1 455 . 1 1 100 100 LEU CA C 13 57.222 0.986 . 1 . . . C 96 LEU CA . 11609 1 456 . 1 1 100 100 LEU CB C 13 42.553 0.986 . 1 . . . C 96 LEU CB . 11609 1 457 . 1 1 100 100 LEU N N 15 119.451 0.188 . 1 . . . C 96 LEU N . 11609 1 458 . 1 1 101 101 LEU H H 1 8.664 0.012 . 1 . . . C 97 LEU H . 11609 1 459 . 1 1 101 101 LEU C C 13 178.353 0.276 . 1 . . . C 97 LEU C . 11609 1 460 . 1 1 101 101 LEU CA C 13 54.547 0.986 . 1 . . . C 97 LEU CA . 11609 1 461 . 1 1 101 101 LEU CB C 13 42.093 0.986 . 1 . . . C 97 LEU CB . 11609 1 462 . 1 1 101 101 LEU N N 15 116.347 0.188 . 1 . . . C 97 LEU N . 11609 1 463 . 1 1 102 102 GLY H H 1 8.008 0.012 . 1 . . . C 98 GLY H . 11609 1 464 . 1 1 102 102 GLY C C 13 174.487 0.276 . 1 . . . C 98 GLY C . 11609 1 465 . 1 1 102 102 GLY CA C 13 46.217 0.986 . 1 . . . C 98 GLY CA . 11609 1 466 . 1 1 102 102 GLY N N 15 110.330 0.188 . 1 . . . C 98 GLY N . 11609 1 467 . 1 1 103 103 ARG H H 1 8.137 0.012 . 1 . . . C 99 ARG H . 11609 1 468 . 1 1 103 103 ARG C C 13 176.979 0.276 . 1 . . . C 99 ARG C . 11609 1 469 . 1 1 103 103 ARG CA C 13 55.842 0.986 . 1 . . . C 99 ARG CA . 11609 1 470 . 1 1 103 103 ARG CB C 13 29.066 0.986 . 1 . . . C 99 ARG CB . 11609 1 471 . 1 1 103 103 ARG N N 15 118.932 0.188 . 1 . . . C 99 ARG N . 11609 1 472 . 1 1 104 104 VAL H H 1 7.803 0.012 . 1 . . . C 100 VAL H . 11609 1 473 . 1 1 104 104 VAL C C 13 176.342 0.276 . 1 . . . C 100 VAL C . 11609 1 474 . 1 1 104 104 VAL CA C 13 62.460 0.986 . 1 . . . C 100 VAL CA . 11609 1 475 . 1 1 104 104 VAL CB C 13 31.465 0.986 . 1 . . . C 100 VAL CB . 11609 1 476 . 1 1 104 104 VAL N N 15 121.709 0.188 . 1 . . . C 100 VAL N . 11609 1 477 . 1 1 105 105 THR H H 1 8.297 0.012 . 1 . . . C 101 THR H . 11609 1 478 . 1 1 105 105 THR C C 13 174.665 0.276 . 1 . . . C 101 THR C . 11609 1 479 . 1 1 105 105 THR CA C 13 62.258 0.986 . 1 . . . C 101 THR CA . 11609 1 480 . 1 1 105 105 THR CB C 13 69.238 0.986 . 1 . . . C 101 THR CB . 11609 1 481 . 1 1 105 105 THR N N 15 120.665 0.188 . 1 . . . C 101 THR N . 11609 1 482 . 1 1 106 106 ILE H H 1 8.224 0.012 . 1 . . . C 102 ILE H . 11609 1 483 . 1 1 106 106 ILE C C 13 176.038 0.276 . 1 . . . C 102 ILE C . 11609 1 484 . 1 1 106 106 ILE CA C 13 60.908 0.986 . 1 . . . C 102 ILE CA . 11609 1 485 . 1 1 106 106 ILE CB C 13 37.831 0.986 . 1 . . . C 102 ILE CB . 11609 1 486 . 1 1 106 106 ILE N N 15 124.483 0.188 . 1 . . . C 102 ILE N . 11609 1 487 . 1 1 107 107 ALA H H 1 8.226 0.012 . 1 . . . C 103 ALA H . 11609 1 488 . 1 1 107 107 ALA C C 13 177.640 0.276 . 1 . . . C 103 ALA C . 11609 1 489 . 1 1 107 107 ALA CA C 13 52.210 0.986 . 1 . . . C 103 ALA CA . 11609 1 490 . 1 1 107 107 ALA CB C 13 18.202 0.986 . 1 . . . C 103 ALA CB . 11609 1 491 . 1 1 107 107 ALA N N 15 127.819 0.188 . 1 . . . C 103 ALA N . 11609 1 492 . 1 1 108 108 GLN H H 1 8.278 0.012 . 1 . . . C 104 GLN H . 11609 1 493 . 1 1 108 108 GLN C C 13 176.582 0.276 . 1 . . . C 104 GLN C . 11609 1 494 . 1 1 108 108 GLN CA C 13 55.616 0.986 . 1 . . . C 104 GLN CA . 11609 1 495 . 1 1 108 108 GLN CB C 13 28.488 0.986 . 1 . . . C 104 GLN CB . 11609 1 496 . 1 1 108 108 GLN N N 15 120.115 0.188 . 1 . . . C 104 GLN N . 11609 1 497 . 1 1 109 109 GLY H H 1 8.338 0.012 . 1 . . . C 105 GLY H . 11609 1 498 . 1 1 109 109 GLY C C 13 174.505 0.276 . 1 . . . C 105 GLY C . 11609 1 499 . 1 1 109 109 GLY CA C 13 44.847 0.986 . 1 . . . C 105 GLY CA . 11609 1 500 . 1 1 109 109 GLY N N 15 110.414 0.188 . 1 . . . C 105 GLY N . 11609 1 501 . 1 1 110 110 GLY H H 1 8.187 0.012 . 1 . . . C 106 GLY H . 11609 1 502 . 1 1 110 110 GLY C C 13 173.790 0.276 . 1 . . . C 106 GLY C . 11609 1 503 . 1 1 110 110 GLY CA C 13 44.695 0.986 . 1 . . . C 106 GLY CA . 11609 1 504 . 1 1 110 110 GLY N N 15 109.448 0.188 . 1 . . . C 106 GLY N . 11609 1 505 . 1 1 111 111 VAL H H 1 7.950 0.012 . 1 . . . C 107 VAL H . 11609 1 506 . 1 1 111 111 VAL C C 13 176.175 0.276 . 1 . . . C 107 VAL C . 11609 1 507 . 1 1 111 111 VAL CA C 13 61.588 0.986 . 1 . . . C 107 VAL CA . 11609 1 508 . 1 1 111 111 VAL CB C 13 31.898 0.986 . 1 . . . C 107 VAL CB . 11609 1 509 . 1 1 111 111 VAL N N 15 119.639 0.188 . 1 . . . C 107 VAL N . 11609 1 510 . 1 1 112 112 LEU H H 1 8.336 0.012 . 1 . . . C 108 LEU H . 11609 1 511 . 1 1 112 112 LEU C C 13 175.209 0.276 . 1 . . . C 108 LEU C . 11609 1 512 . 1 1 112 112 LEU CA C 13 52.603 0.986 . 1 . . . C 108 LEU CA . 11609 1 513 . 1 1 112 112 LEU CB C 13 40.610 0.986 . 1 . . . C 108 LEU CB . 11609 1 514 . 1 1 112 112 LEU N N 15 128.029 0.188 . 1 . . . C 108 LEU N . 11609 1 515 . 1 1 113 113 PRO C C 13 176.579 0.276 . 1 . . . C 109 PRO C . 11609 1 516 . 1 1 113 113 PRO CA C 13 62.670 0.986 . 1 . . . C 109 PRO CA . 11609 1 517 . 1 1 113 113 PRO CB C 13 31.163 0.986 . 1 . . . C 109 PRO CB . 11609 1 518 . 1 1 114 114 ASN H H 1 8.416 0.012 . 1 . . . C 110 ASN H . 11609 1 519 . 1 1 114 114 ASN C C 13 175.343 0.276 . 1 . . . C 110 ASN C . 11609 1 520 . 1 1 114 114 ASN CA C 13 52.815 0.986 . 1 . . . C 110 ASN CA . 11609 1 521 . 1 1 114 114 ASN CB C 13 37.977 0.986 . 1 . . . C 110 ASN CB . 11609 1 522 . 1 1 114 114 ASN N N 15 119.399 0.188 . 1 . . . C 110 ASN N . 11609 1 523 . 1 1 115 115 ILE H H 1 8.064 0.012 . 1 . . . C 111 ILE H . 11609 1 524 . 1 1 115 115 ILE C C 13 176.221 0.276 . 1 . . . C 111 ILE C . 11609 1 525 . 1 1 115 115 ILE CA C 13 60.782 0.986 . 1 . . . C 111 ILE CA . 11609 1 526 . 1 1 115 115 ILE CB C 13 37.730 0.986 . 1 . . . C 111 ILE CB . 11609 1 527 . 1 1 115 115 ILE N N 15 122.054 0.188 . 1 . . . C 111 ILE N . 11609 1 528 . 1 1 116 116 GLN H H 1 8.332 0.012 . 1 . . . C 112 GLN H . 11609 1 529 . 1 1 116 116 GLN C C 13 175.640 0.276 . 1 . . . C 112 GLN C . 11609 1 530 . 1 1 116 116 GLN CA C 13 55.394 0.986 . 1 . . . C 112 GLN CA . 11609 1 531 . 1 1 116 116 GLN CB C 13 28.486 0.986 . 1 . . . C 112 GLN CB . 11609 1 532 . 1 1 116 116 GLN N N 15 124.688 0.188 . 1 . . . C 112 GLN N . 11609 1 533 . 1 1 117 117 ALA H H 1 8.210 0.012 . 1 . . . C 113 ALA H . 11609 1 534 . 1 1 117 117 ALA C C 13 177.612 0.276 . 1 . . . C 113 ALA C . 11609 1 535 . 1 1 117 117 ALA CA C 13 52.189 0.986 . 1 . . . C 113 ALA CA . 11609 1 536 . 1 1 117 117 ALA CB C 13 18.286 0.986 . 1 . . . C 113 ALA CB . 11609 1 537 . 1 1 117 117 ALA N N 15 126.206 0.188 . 1 . . . C 113 ALA N . 11609 1 538 . 1 1 118 118 VAL H H 1 8.012 0.012 . 1 . . . C 114 VAL H . 11609 1 539 . 1 1 118 118 VAL C C 13 175.890 0.276 . 1 . . . C 114 VAL C . 11609 1 540 . 1 1 118 118 VAL CA C 13 61.935 0.986 . 1 . . . C 114 VAL CA . 11609 1 541 . 1 1 118 118 VAL CB C 13 31.760 0.986 . 1 . . . C 114 VAL CB . 11609 1 542 . 1 1 118 118 VAL N N 15 120.270 0.188 . 1 . . . C 114 VAL N . 11609 1 543 . 1 1 119 119 LEU H H 1 8.214 0.012 . 1 . . . C 115 LEU H . 11609 1 544 . 1 1 119 119 LEU C C 13 176.724 0.276 . 1 . . . C 115 LEU C . 11609 1 545 . 1 1 119 119 LEU CA C 13 54.339 0.986 . 1 . . . C 115 LEU CA . 11609 1 546 . 1 1 119 119 LEU CB C 13 41.256 0.986 . 1 . . . C 115 LEU CB . 11609 1 547 . 1 1 119 119 LEU N N 15 126.931 0.188 . 1 . . . C 115 LEU N . 11609 1 548 . 1 1 120 120 LEU H H 1 8.167 0.012 . 1 . . . C 116 LEU H . 11609 1 549 . 1 1 120 120 LEU C C 13 175.079 0.276 . 1 . . . C 116 LEU C . 11609 1 550 . 1 1 120 120 LEU CA C 13 52.307 0.986 . 1 . . . C 116 LEU CA . 11609 1 551 . 1 1 120 120 LEU CB C 13 40.817 0.986 . 1 . . . C 116 LEU CB . 11609 1 552 . 1 1 120 120 LEU N N 15 125.625 0.188 . 1 . . . C 116 LEU N . 11609 1 553 . 1 1 121 121 PRO C C 13 176.849 0.276 . 1 . . . C 117 PRO C . 11609 1 554 . 1 1 121 121 PRO CA C 13 62.503 0.986 . 1 . . . C 117 PRO CA . 11609 1 555 . 1 1 121 121 PRO CB C 13 31.118 0.986 . 1 . . . C 117 PRO CB . 11609 1 556 . 1 1 122 122 LYS H H 1 8.349 0.012 . 1 . . . C 118 LYS H . 11609 1 557 . 1 1 122 122 LYS C C 13 176.861 0.276 . 1 . . . C 118 LYS C . 11609 1 558 . 1 1 122 122 LYS CA C 13 55.875 0.986 . 1 . . . C 118 LYS CA . 11609 1 559 . 1 1 122 122 LYS CB C 13 31.938 0.986 . 1 . . . C 118 LYS CB . 11609 1 560 . 1 1 122 122 LYS N N 15 122.687 0.188 . 1 . . . C 118 LYS N . 11609 1 561 . 1 1 123 123 LYS H H 1 8.397 0.012 . 1 . . . C 119 LYS H . 11609 1 562 . 1 1 123 123 LYS C C 13 176.820 0.276 . 1 . . . C 119 LYS C . 11609 1 563 . 1 1 123 123 LYS CA C 13 56.042 0.986 . 1 . . . C 119 LYS CA . 11609 1 564 . 1 1 123 123 LYS CB C 13 31.931 0.986 . 1 . . . C 119 LYS CB . 11609 1 565 . 1 1 123 123 LYS N N 15 124.186 0.188 . 1 . . . C 119 LYS N . 11609 1 566 . 1 1 124 124 THR H H 1 8.190 0.012 . 1 . . . C 120 THR H . 11609 1 567 . 1 1 124 124 THR C C 13 174.484 0.276 . 1 . . . C 120 THR C . 11609 1 568 . 1 1 124 124 THR CA C 13 61.549 0.986 . 1 . . . C 120 THR CA . 11609 1 569 . 1 1 124 124 THR CB C 13 69.427 0.986 . 1 . . . C 120 THR CB . 11609 1 570 . 1 1 124 124 THR N N 15 117.138 0.188 . 1 . . . C 120 THR N . 11609 1 571 . 1 1 125 125 GLU H H 1 8.420 0.012 . 1 . . . C 121 GLU H . 11609 1 572 . 1 1 125 125 GLU C C 13 176.302 0.276 . 1 . . . C 121 GLU C . 11609 1 573 . 1 1 125 125 GLU CA C 13 55.814 0.986 . 1 . . . C 121 GLU CA . 11609 1 574 . 1 1 125 125 GLU CB C 13 29.492 0.986 . 1 . . . C 121 GLU CB . 11609 1 575 . 1 1 125 125 GLU N N 15 124.510 0.188 . 1 . . . C 121 GLU N . 11609 1 576 . 1 1 126 126 SER H H 1 8.343 0.012 . 1 . . . C 122 SER H . 11609 1 577 . 1 1 126 126 SER C C 13 174.388 0.276 . 1 . . . C 122 SER C . 11609 1 578 . 1 1 126 126 SER CA C 13 57.817 0.986 . 1 . . . C 122 SER CA . 11609 1 579 . 1 1 126 126 SER CB C 13 63.197 0.986 . 1 . . . C 122 SER CB . 11609 1 580 . 1 1 126 126 SER N N 15 118.063 0.188 . 1 . . . C 122 SER N . 11609 1 581 . 1 1 127 127 HIS H H 1 8.466 0.012 . 1 . . . C 123 HIS H . 11609 1 582 . 1 1 127 127 HIS C C 13 174.435 0.276 . 1 . . . C 123 HIS C . 11609 1 583 . 1 1 127 127 HIS CA C 13 54.991 0.986 . 1 . . . C 123 HIS CA . 11609 1 584 . 1 1 127 127 HIS CB C 13 28.826 0.986 . 1 . . . C 123 HIS CB . 11609 1 585 . 1 1 127 127 HIS N N 15 121.371 0.188 . 1 . . . C 123 HIS N . 11609 1 586 . 1 1 128 128 HIS H H 1 8.388 0.012 . 1 . . . C 124 HIS H . 11609 1 587 . 1 1 128 128 HIS C C 13 174.499 0.276 . 1 . . . C 124 HIS C . 11609 1 588 . 1 1 128 128 HIS CA C 13 55.147 0.986 . 1 . . . C 124 HIS CA . 11609 1 589 . 1 1 128 128 HIS CB C 13 28.910 0.986 . 1 . . . C 124 HIS CB . 11609 1 590 . 1 1 128 128 HIS N N 15 120.964 0.188 . 1 . . . C 124 HIS N . 11609 1 591 . 1 1 129 129 LYS H H 1 8.365 0.012 . 1 . . . C 125 LYS H . 11609 1 592 . 1 1 129 129 LYS C C 13 176.182 0.276 . 1 . . . C 125 LYS C . 11609 1 593 . 1 1 129 129 LYS CA C 13 55.742 0.986 . 1 . . . C 125 LYS CA . 11609 1 594 . 1 1 129 129 LYS CB C 13 32.057 0.986 . 1 . . . C 125 LYS CB . 11609 1 595 . 1 1 129 129 LYS N N 15 124.468 0.188 . 1 . . . C 125 LYS N . 11609 1 596 . 1 1 130 130 ALA H H 1 8.380 0.012 . 1 . . . C 126 ALA H . 11609 1 597 . 1 1 130 130 ALA C C 13 177.674 0.276 . 1 . . . C 126 ALA C . 11609 1 598 . 1 1 130 130 ALA CA C 13 52.077 0.986 . 1 . . . C 126 ALA CA . 11609 1 599 . 1 1 130 130 ALA CB C 13 18.486 0.986 . 1 . . . C 126 ALA CB . 11609 1 600 . 1 1 130 130 ALA N N 15 126.893 0.188 . 1 . . . C 126 ALA N . 11609 1 601 . 1 1 131 131 LYS H H 1 8.328 0.012 . 1 . . . C 127 LYS H . 11609 1 602 . 1 1 131 131 LYS C C 13 177.264 0.276 . 1 . . . C 127 LYS C . 11609 1 603 . 1 1 131 131 LYS CA C 13 56.165 0.986 . 1 . . . C 127 LYS CA . 11609 1 604 . 1 1 131 131 LYS CB C 13 31.900 0.986 . 1 . . . C 127 LYS CB . 11609 1 605 . 1 1 131 131 LYS N N 15 121.900 0.188 . 1 . . . C 127 LYS N . 11609 1 606 . 1 1 132 132 GLY H H 1 8.392 0.012 . 1 . . . C 128 GLY H . 11609 1 607 . 1 1 132 132 GLY C C 13 173.145 0.276 . 1 . . . C 128 GLY C . 11609 1 608 . 1 1 132 132 GLY CA C 13 44.777 0.986 . 1 . . . C 128 GLY CA . 11609 1 609 . 1 1 132 132 GLY N N 15 111.751 0.188 . 1 . . . C 128 GLY N . 11609 1 610 . 1 1 133 133 LYS H H 1 7.799 0.012 . 1 . . . C 129 LYS H . 11609 1 611 . 1 1 133 133 LYS C C 13 181.588 0.276 . 1 . . . C 129 LYS C . 11609 1 612 . 1 1 133 133 LYS CA C 13 57.111 0.986 . 1 . . . C 129 LYS CA . 11609 1 613 . 1 1 133 133 LYS CB C 13 32.470 0.986 . 1 . . . C 129 LYS CB . 11609 1 614 . 1 1 133 133 LYS N N 15 126.603 0.188 . 1 . . . C 129 LYS N . 11609 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 11609 _Assigned_chem_shift_list.ID 2 _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 TROSY-HN(CO)CACB 1 $sample_1 isotropic 11609 2 2 TROSY-HNCACB 1 $sample_1 isotropic 11609 2 3 TROSY-HN(CA)CO 1 $sample_1 isotropic 11609 2 4 TROSY-HNCO 1 $sample_1 isotropic 11609 2 5 HCCCONH 1 $sample_1 isotropic 11609 2 6 'TROSY-1H-15N HSQC' 1 $sample_1 isotropic 11609 2 7 'TROSY-1H-13C HSQC' 1 $sample_1 isotropic 11609 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 2 2 PRO C C 13 177.451 0.160 . 1 . . . D -2 PRO C . 11609 2 2 . 2 2 2 2 PRO CA C 13 62.984 0.985 . 1 . . . D -2 PRO CA . 11609 2 3 . 2 2 2 2 PRO CB C 13 31.504 0.985 . 1 . . . D -2 PRO CB . 11609 2 4 . 2 2 3 3 GLY H H 1 8.559 0.015 . 1 . . . D -1 GLY H . 11609 2 5 . 2 2 3 3 GLY C C 13 173.768 0.160 . 1 . . . D -1 GLY C . 11609 2 6 . 2 2 3 3 GLY CA C 13 44.726 0.985 . 1 . . . D -1 GLY CA . 11609 2 7 . 2 2 3 3 GLY N N 15 110.551 0.192 . 1 . . . D -1 GLY N . 11609 2 8 . 2 2 4 4 MET H H 1 8.127 0.015 . 1 . . . D 0 MET H . 11609 2 9 . 2 2 4 4 MET C C 13 174.169 0.160 . 1 . . . D 0 MET C . 11609 2 10 . 2 2 4 4 MET CA C 13 52.809 0.985 . 1 . . . D 0 MET CA . 11609 2 11 . 2 2 4 4 MET CB C 13 31.913 0.985 . 1 . . . D 0 MET CB . 11609 2 12 . 2 2 4 4 MET N N 15 121.670 0.192 . 1 . . . D 0 MET N . 11609 2 13 . 2 2 5 5 PRO C C 13 176.704 0.160 . 1 . . . D 1 PRO C . 11609 2 14 . 2 2 5 5 PRO CA C 13 62.654 0.985 . 1 . . . D 1 PRO CA . 11609 2 15 . 2 2 5 5 PRO CB C 13 31.197 0.985 . 1 . . . D 1 PRO CB . 11609 2 16 . 2 2 6 6 GLU H H 1 8.466 0.015 . 1 . . . D 2 GLU H . 11609 2 17 . 2 2 6 6 GLU C C 13 174.695 0.160 . 1 . . . D 2 GLU C . 11609 2 18 . 2 2 6 6 GLU CA C 13 54.038 0.985 . 1 . . . D 2 GLU CA . 11609 2 19 . 2 2 6 6 GLU CB C 13 29.023 0.985 . 1 . . . D 2 GLU CB . 11609 2 20 . 2 2 6 6 GLU N N 15 123.275 0.192 . 1 . . . D 2 GLU N . 11609 2 21 . 2 2 7 7 PRO C C 13 176.749 0.160 . 1 . . . D 3 PRO C . 11609 2 22 . 2 2 7 7 PRO CA C 13 62.715 0.985 . 1 . . . D 3 PRO CA . 11609 2 23 . 2 2 7 7 PRO CB C 13 31.378 0.985 . 1 . . . D 3 PRO CB . 11609 2 24 . 2 2 8 8 ALA H H 1 8.390 0.015 . 1 . . . D 4 ALA H . 11609 2 25 . 2 2 8 8 ALA C C 13 178.023 0.160 . 1 . . . D 4 ALA C . 11609 2 26 . 2 2 8 8 ALA CA C 13 52.168 0.985 . 1 . . . D 4 ALA CA . 11609 2 27 . 2 2 8 8 ALA CB C 13 18.243 0.985 . 1 . . . D 4 ALA CB . 11609 2 28 . 2 2 8 8 ALA N N 15 124.742 0.192 . 1 . . . D 4 ALA N . 11609 2 29 . 2 2 9 9 LYS H H 1 8.307 0.015 . 1 . . . D 5 LYS H . 11609 2 30 . 2 2 9 9 LYS C C 13 176.737 0.160 . 1 . . . D 5 LYS C . 11609 2 31 . 2 2 9 9 LYS CA C 13 55.877 0.985 . 1 . . . D 5 LYS CA . 11609 2 32 . 2 2 9 9 LYS CB C 13 32.310 0.985 . 1 . . . D 5 LYS CB . 11609 2 33 . 2 2 9 9 LYS N N 15 121.402 0.192 . 1 . . . D 5 LYS N . 11609 2 34 . 2 2 10 10 SER H H 1 8.235 0.015 . 1 . . . D 6 SER H . 11609 2 35 . 2 2 10 10 SER C C 13 173.694 0.160 . 1 . . . D 6 SER C . 11609 2 36 . 2 2 10 10 SER CA C 13 57.629 0.985 . 1 . . . D 6 SER CA . 11609 2 37 . 2 2 10 10 SER CB C 13 63.828 0.985 . 1 . . . D 6 SER CB . 11609 2 38 . 2 2 10 10 SER N N 15 117.610 0.192 . 1 . . . D 6 SER N . 11609 2 39 . 2 2 11 11 ALA H H 1 8.293 0.015 . 1 . . . D 7 ALA H . 11609 2 40 . 2 2 11 11 ALA C C 13 175.330 0.160 . 1 . . . D 7 ALA C . 11609 2 41 . 2 2 11 11 ALA CA C 13 50.170 0.985 . 1 . . . D 7 ALA CA . 11609 2 42 . 2 2 11 11 ALA CB C 13 17.596 0.985 . 1 . . . D 7 ALA CB . 11609 2 43 . 2 2 11 11 ALA N N 15 127.655 0.192 . 1 . . . D 7 ALA N . 11609 2 44 . 2 2 12 12 PRO C C 13 176.397 0.160 . 1 . . . D 8 PRO C . 11609 2 45 . 2 2 12 12 PRO CA C 13 62.459 0.985 . 1 . . . D 8 PRO CA . 11609 2 46 . 2 2 12 12 PRO CB C 13 31.311 0.985 . 1 . . . D 8 PRO CB . 11609 2 47 . 2 2 13 13 ALA H H 1 8.381 0.015 . 1 . . . D 9 ALA H . 11609 2 48 . 2 2 13 13 ALA C C 13 175.642 0.160 . 1 . . . D 9 ALA C . 11609 2 49 . 2 2 13 13 ALA CA C 13 49.972 0.985 . 1 . . . D 9 ALA CA . 11609 2 50 . 2 2 13 13 ALA CB C 13 17.245 0.985 . 1 . . . D 9 ALA CB . 11609 2 51 . 2 2 13 13 ALA N N 15 126.356 0.192 . 1 . . . D 9 ALA N . 11609 2 52 . 2 2 14 14 PRO C C 13 177.015 0.160 . 1 . . . D 10 PRO C . 11609 2 53 . 2 2 14 14 PRO CA C 13 62.518 0.985 . 1 . . . D 10 PRO CA . 11609 2 54 . 2 2 14 14 PRO CB C 13 31.380 0.985 . 1 . . . D 10 PRO CB . 11609 2 55 . 2 2 15 15 LYS H H 1 8.417 0.015 . 1 . . . D 11 LYS H . 11609 2 56 . 2 2 15 15 LYS C C 13 176.915 0.160 . 1 . . . D 11 LYS C . 11609 2 57 . 2 2 15 15 LYS CA C 13 55.802 0.985 . 1 . . . D 11 LYS CA . 11609 2 58 . 2 2 15 15 LYS CB C 13 32.058 0.985 . 1 . . . D 11 LYS CB . 11609 2 59 . 2 2 15 15 LYS N N 15 122.697 0.192 . 1 . . . D 11 LYS N . 11609 2 60 . 2 2 16 16 LYS H H 1 8.416 0.015 . 1 . . . D 12 LYS H . 11609 2 61 . 2 2 16 16 LYS C C 13 177.231 0.160 . 1 . . . D 12 LYS C . 11609 2 62 . 2 2 16 16 LYS CA C 13 56.063 0.985 . 1 . . . D 12 LYS CA . 11609 2 63 . 2 2 16 16 LYS CB C 13 32.079 0.985 . 1 . . . D 12 LYS CB . 11609 2 64 . 2 2 16 16 LYS N N 15 123.992 0.192 . 1 . . . D 12 LYS N . 11609 2 65 . 2 2 17 17 GLY H H 1 8.473 0.015 . 1 . . . D 13 GLY H . 11609 2 66 . 2 2 17 17 GLY C C 13 174.160 0.160 . 1 . . . D 13 GLY C . 11609 2 67 . 2 2 17 17 GLY CA C 13 44.781 0.985 . 1 . . . D 13 GLY CA . 11609 2 68 . 2 2 17 17 GLY N N 15 111.407 0.192 . 1 . . . D 13 GLY N . 11609 2 69 . 2 2 18 18 SER H H 1 8.166 0.015 . 1 . . . D 14 SER H . 11609 2 70 . 2 2 18 18 SER C C 13 174.662 0.160 . 1 . . . D 14 SER C . 11609 2 71 . 2 2 18 18 SER CA C 13 58.112 0.985 . 1 . . . D 14 SER CA . 11609 2 72 . 2 2 18 18 SER CB C 13 63.895 0.985 . 1 . . . D 14 SER CB . 11609 2 73 . 2 2 18 18 SER N N 15 116.312 0.192 . 1 . . . D 14 SER N . 11609 2 74 . 2 2 19 19 LYS H H 1 8.390 0.015 . 1 . . . D 15 LYS H . 11609 2 75 . 2 2 19 19 LYS C C 13 176.654 0.160 . 1 . . . D 15 LYS C . 11609 2 76 . 2 2 19 19 LYS CA C 13 56.057 0.985 . 1 . . . D 15 LYS CA . 11609 2 77 . 2 2 19 19 LYS CB C 13 32.094 0.985 . 1 . . . D 15 LYS CB . 11609 2 78 . 2 2 19 19 LYS N N 15 124.062 0.192 . 1 . . . D 15 LYS N . 11609 2 79 . 2 2 20 20 LYS H H 1 8.269 0.015 . 1 . . . D 16 LYS H . 11609 2 80 . 2 2 20 20 LYS C C 13 176.322 0.160 . 1 . . . D 16 LYS C . 11609 2 81 . 2 2 20 20 LYS CA C 13 55.964 0.985 . 1 . . . D 16 LYS CA . 11609 2 82 . 2 2 20 20 LYS CB C 13 32.219 0.985 . 1 . . . D 16 LYS CB . 11609 2 83 . 2 2 20 20 LYS N N 15 123.678 0.192 . 1 . . . D 16 LYS N . 11609 2 84 . 2 2 21 21 ALA H H 1 8.309 0.015 . 1 . . . D 17 ALA H . 11609 2 85 . 2 2 21 21 ALA C C 13 177.752 0.160 . 1 . . . D 17 ALA C . 11609 2 86 . 2 2 21 21 ALA CA C 13 52.070 0.985 . 1 . . . D 17 ALA CA . 11609 2 87 . 2 2 21 21 ALA CB C 13 18.567 0.985 . 1 . . . D 17 ALA CB . 11609 2 88 . 2 2 21 21 ALA N N 15 126.570 0.192 . 1 . . . D 17 ALA N . 11609 2 89 . 2 2 22 22 VAL H H 1 8.185 0.015 . 1 . . . D 18 VAL H . 11609 2 90 . 2 2 22 22 VAL C C 13 176.571 0.160 . 1 . . . D 18 VAL C . 11609 2 91 . 2 2 22 22 VAL CA C 13 61.856 0.985 . 1 . . . D 18 VAL CA . 11609 2 92 . 2 2 22 22 VAL CB C 13 31.954 0.985 . 1 . . . D 18 VAL CB . 11609 2 93 . 2 2 22 22 VAL N N 15 120.857 0.192 . 1 . . . D 18 VAL N . 11609 2 94 . 2 2 23 23 THR H H 1 8.239 0.015 . 1 . . . D 19 THR H . 11609 2 95 . 2 2 23 23 THR C C 13 174.469 0.160 . 1 . . . D 19 THR C . 11609 2 96 . 2 2 23 23 THR CA C 13 61.507 0.985 . 1 . . . D 19 THR CA . 11609 2 97 . 2 2 23 23 THR CB C 13 69.593 0.985 . 1 . . . D 19 THR CB . 11609 2 98 . 2 2 23 23 THR N N 15 119.544 0.192 . 1 . . . D 19 THR N . 11609 2 99 . 2 2 24 24 LYS H H 1 8.361 0.015 . 1 . . . D 20 LYS H . 11609 2 100 . 2 2 24 24 LYS C C 13 176.391 0.160 . 1 . . . D 20 LYS C . 11609 2 101 . 2 2 24 24 LYS CA C 13 56.064 0.985 . 1 . . . D 20 LYS CA . 11609 2 102 . 2 2 24 24 LYS CB C 13 32.156 0.985 . 1 . . . D 20 LYS CB . 11609 2 103 . 2 2 24 24 LYS N N 15 124.937 0.192 . 1 . . . D 20 LYS N . 11609 2 104 . 2 2 25 25 ALA H H 1 8.295 0.015 . 1 . . . D 21 ALA H . 11609 2 105 . 2 2 25 25 ALA C C 13 177.791 0.160 . 1 . . . D 21 ALA C . 11609 2 106 . 2 2 25 25 ALA CA C 13 52.172 0.985 . 1 . . . D 21 ALA CA . 11609 2 107 . 2 2 25 25 ALA CB C 13 18.344 0.985 . 1 . . . D 21 ALA CB . 11609 2 108 . 2 2 25 25 ALA N N 15 125.876 0.192 . 1 . . . D 21 ALA N . 11609 2 109 . 2 2 26 26 GLN H H 1 8.312 0.015 . 1 . . . D 22 GLN H . 11609 2 110 . 2 2 26 26 GLN C C 13 176.191 0.160 . 1 . . . D 22 GLN C . 11609 2 111 . 2 2 26 26 GLN CA C 13 55.246 0.985 . 1 . . . D 22 GLN CA . 11609 2 112 . 2 2 26 26 GLN CB C 13 28.991 0.985 . 1 . . . D 22 GLN CB . 11609 2 113 . 2 2 26 26 GLN N N 15 120.655 0.192 . 1 . . . D 22 GLN N . 11609 2 114 . 2 2 27 27 LYS H H 1 8.360 0.015 . 1 . . . D 23 LYS H . 11609 2 115 . 2 2 27 27 LYS C C 13 176.813 0.160 . 1 . . . D 23 LYS C . 11609 2 116 . 2 2 27 27 LYS CA C 13 56.000 0.985 . 1 . . . D 23 LYS CA . 11609 2 117 . 2 2 27 27 LYS CB C 13 32.197 0.985 . 1 . . . D 23 LYS CB . 11609 2 118 . 2 2 27 27 LYS N N 15 123.949 0.192 . 1 . . . D 23 LYS N . 11609 2 119 . 2 2 28 28 LYS H H 1 8.414 0.015 . 1 . . . D 24 LYS H . 11609 2 120 . 2 2 28 28 LYS C C 13 176.445 0.160 . 1 . . . D 24 LYS C . 11609 2 121 . 2 2 28 28 LYS CA C 13 55.987 0.985 . 1 . . . D 24 LYS CA . 11609 2 122 . 2 2 28 28 LYS CB C 13 32.040 0.985 . 1 . . . D 24 LYS CB . 11609 2 123 . 2 2 28 28 LYS N N 15 123.772 0.192 . 1 . . . D 24 LYS N . 11609 2 124 . 2 2 29 29 ASP H H 1 8.330 0.015 . 1 . . . D 25 ASP H . 11609 2 125 . 2 2 29 29 ASP C C 13 176.854 0.160 . 1 . . . D 25 ASP C . 11609 2 126 . 2 2 29 29 ASP CA C 13 54.130 0.985 . 1 . . . D 25 ASP CA . 11609 2 127 . 2 2 29 29 ASP CB C 13 40.836 0.985 . 1 . . . D 25 ASP CB . 11609 2 128 . 2 2 29 29 ASP N N 15 122.113 0.192 . 1 . . . D 25 ASP N . 11609 2 129 . 2 2 30 30 GLY H H 1 8.310 0.015 . 1 . . . D 26 GLY H . 11609 2 130 . 2 2 30 30 GLY C C 13 174.437 0.160 . 1 . . . D 26 GLY C . 11609 2 131 . 2 2 30 30 GLY CA C 13 45.238 0.985 . 1 . . . D 26 GLY CA . 11609 2 132 . 2 2 30 30 GLY N N 15 110.015 0.192 . 1 . . . D 26 GLY N . 11609 2 133 . 2 2 31 31 LYS H H 1 8.152 0.015 . 1 . . . D 27 LYS H . 11609 2 134 . 2 2 31 31 LYS C C 13 176.930 0.160 . 1 . . . D 27 LYS C . 11609 2 135 . 2 2 31 31 LYS CA C 13 56.104 0.985 . 1 . . . D 27 LYS CA . 11609 2 136 . 2 2 31 31 LYS CB C 13 31.968 0.985 . 1 . . . D 27 LYS CB . 11609 2 137 . 2 2 31 31 LYS N N 15 121.438 0.192 . 1 . . . D 27 LYS N . 11609 2 138 . 2 2 32 32 LYS H H 1 8.238 0.015 . 1 . . . D 28 LYS H . 11609 2 139 . 2 2 32 32 LYS C C 13 176.687 0.160 . 1 . . . D 28 LYS C . 11609 2 140 . 2 2 32 32 LYS CA C 13 56.059 0.985 . 1 . . . D 28 LYS CA . 11609 2 141 . 2 2 32 32 LYS CB C 13 32.064 0.985 . 1 . . . D 28 LYS CB . 11609 2 142 . 2 2 32 32 LYS N N 15 122.917 0.192 . 1 . . . D 28 LYS N . 11609 2 143 . 2 2 33 33 ARG H H 1 8.414 0.015 . 1 . . . D 29 ARG H . 11609 2 144 . 2 2 33 33 ARG C C 13 176.283 0.160 . 1 . . . D 29 ARG C . 11609 2 145 . 2 2 33 33 ARG CA C 13 56.021 0.985 . 1 . . . D 29 ARG CA . 11609 2 146 . 2 2 33 33 ARG CB C 13 30.019 0.985 . 1 . . . D 29 ARG CB . 11609 2 147 . 2 2 33 33 ARG N N 15 123.781 0.192 . 1 . . . D 29 ARG N . 11609 2 148 . 2 2 34 34 LYS H H 1 8.294 0.015 . 1 . . . D 30 LYS H . 11609 2 149 . 2 2 34 34 LYS C C 13 176.723 0.160 . 1 . . . D 30 LYS C . 11609 2 150 . 2 2 34 34 LYS CA C 13 55.803 0.985 . 1 . . . D 30 LYS CA . 11609 2 151 . 2 2 34 34 LYS CB C 13 31.970 0.985 . 1 . . . D 30 LYS CB . 11609 2 152 . 2 2 34 34 LYS N N 15 123.380 0.192 . 1 . . . D 30 LYS N . 11609 2 153 . 2 2 35 35 ARG H H 1 8.296 0.015 . 1 . . . D 31 ARG H . 11609 2 154 . 2 2 35 35 ARG C C 13 176.329 0.160 . 1 . . . D 31 ARG C . 11609 2 155 . 2 2 35 35 ARG CA C 13 55.672 0.985 . 1 . . . D 31 ARG CA . 11609 2 156 . 2 2 35 35 ARG CB C 13 30.004 0.985 . 1 . . . D 31 ARG CB . 11609 2 157 . 2 2 35 35 ARG N N 15 123.455 0.192 . 1 . . . D 31 ARG N . 11609 2 158 . 2 2 36 36 SER H H 1 8.411 0.015 . 1 . . . D 32 SER H . 11609 2 159 . 2 2 36 36 SER C C 13 174.380 0.160 . 1 . . . D 32 SER C . 11609 2 160 . 2 2 36 36 SER CA C 13 57.905 0.985 . 1 . . . D 32 SER CA . 11609 2 161 . 2 2 36 36 SER CB C 13 63.773 0.985 . 1 . . . D 32 SER CB . 11609 2 162 . 2 2 36 36 SER N N 15 118.586 0.192 . 1 . . . D 32 SER N . 11609 2 163 . 2 2 37 37 ARG H H 1 8.465 0.015 . 1 . . . D 33 ARG H . 11609 2 164 . 2 2 37 37 ARG C C 13 176.148 0.160 . 1 . . . D 33 ARG C . 11609 2 165 . 2 2 37 37 ARG CA C 13 55.576 0.985 . 1 . . . D 33 ARG CA . 11609 2 166 . 2 2 37 37 ARG CB C 13 30.003 0.985 . 1 . . . D 33 ARG CB . 11609 2 167 . 2 2 37 37 ARG N N 15 124.234 0.192 . 1 . . . D 33 ARG N . 11609 2 168 . 2 2 38 38 LYS H H 1 8.375 0.015 . 1 . . . D 34 LYS H . 11609 2 169 . 2 2 38 38 LYS C C 13 176.355 0.160 . 1 . . . D 34 LYS C . 11609 2 170 . 2 2 38 38 LYS CA C 13 55.570 0.985 . 1 . . . D 34 LYS CA . 11609 2 171 . 2 2 38 38 LYS CB C 13 32.265 0.985 . 1 . . . D 34 LYS CB . 11609 2 172 . 2 2 38 38 LYS N N 15 124.243 0.192 . 1 . . . D 34 LYS N . 11609 2 173 . 2 2 39 39 GLU H H 1 8.199 0.015 . 1 . . . D 35 GLU H . 11609 2 174 . 2 2 39 39 GLU C C 13 176.199 0.160 . 1 . . . D 35 GLU C . 11609 2 175 . 2 2 39 39 GLU CA C 13 55.547 0.985 . 1 . . . D 35 GLU CA . 11609 2 176 . 2 2 39 39 GLU CB C 13 29.669 0.985 . 1 . . . D 35 GLU CB . 11609 2 177 . 2 2 39 39 GLU N N 15 123.512 0.192 . 1 . . . D 35 GLU N . 11609 2 178 . 2 2 40 40 SER H H 1 8.602 0.015 . 1 . . . D 36 SER H . 11609 2 179 . 2 2 40 40 SER C C 13 176.210 0.160 . 1 . . . D 36 SER C . 11609 2 180 . 2 2 40 40 SER CA C 13 57.337 0.985 . 1 . . . D 36 SER CA . 11609 2 181 . 2 2 40 40 SER CB C 13 63.047 0.985 . 1 . . . D 36 SER CB . 11609 2 182 . 2 2 40 40 SER N N 15 117.299 0.192 . 1 . . . D 36 SER N . 11609 2 183 . 2 2 41 41 TYR H H 1 7.999 0.015 . 1 . . . D 37 TYR H . 11609 2 184 . 2 2 41 41 TYR C C 13 179.053 0.160 . 1 . . . D 37 TYR C . 11609 2 185 . 2 2 41 41 TYR CA C 13 61.270 0.985 . 1 . . . D 37 TYR CA . 11609 2 186 . 2 2 41 41 TYR N N 15 118.596 0.192 . 1 . . . D 37 TYR N . 11609 2 187 . 2 2 42 42 SER H H 1 8.221 0.015 . 9 . . . D 38 SER H . 11609 2 188 . 2 2 42 42 SER C C 13 175.587 0.160 . 9 . . . D 38 SER C . 11609 2 189 . 2 2 42 42 SER CA C 13 61.955 0.985 . 9 . . . D 38 SER CA . 11609 2 190 . 2 2 42 42 SER CB C 13 63.340 0.985 . 9 . . . D 38 SER CB . 11609 2 191 . 2 2 42 42 SER N N 15 118.562 0.192 . 9 . . . D 38 SER N . 11609 2 192 . 2 2 43 43 ILE H H 1 9.247 0.015 . 9 . . . D 39 ILE H . 11609 2 193 . 2 2 43 43 ILE C C 13 176.119 0.160 . 9 . . . D 39 ILE C . 11609 2 194 . 2 2 43 43 ILE CB C 13 37.334 0.985 . 9 . . . D 39 ILE CB . 11609 2 195 . 2 2 43 43 ILE N N 15 126.456 0.192 . 9 . . . D 39 ILE N . 11609 2 196 . 2 2 44 44 TYR H H 1 7.812 0.015 . 9 . . . D 40 TYR H . 11609 2 197 . 2 2 44 44 TYR CA C 13 57.102 0.985 . 9 . . . D 40 TYR CA . 11609 2 198 . 2 2 44 44 TYR CB C 13 38.353 0.985 . 9 . . . D 40 TYR CB . 11609 2 199 . 2 2 44 44 TYR N N 15 119.476 0.192 . 9 . . . D 40 TYR N . 11609 2 200 . 2 2 45 45 VAL C C 13 179.168 0.160 . 9 . . . D 41 VAL C . 11609 2 201 . 2 2 45 45 VAL CA C 13 66.638 0.985 . 9 . . . D 41 VAL CA . 11609 2 202 . 2 2 45 45 VAL CB C 13 30.475 0.985 . 9 . . . D 41 VAL CB . 11609 2 203 . 2 2 46 46 TYR H H 1 8.323 0.015 . 9 . . . D 42 TYR H . 11609 2 204 . 2 2 46 46 TYR C C 13 177.901 0.160 . 9 . . . D 42 TYR C . 11609 2 205 . 2 2 46 46 TYR CA C 13 61.976 0.985 . 9 . . . D 42 TYR CA . 11609 2 206 . 2 2 46 46 TYR CB C 13 37.437 0.985 . 9 . . . D 42 TYR CB . 11609 2 207 . 2 2 46 46 TYR N N 15 118.363 0.192 . 9 . . . D 42 TYR N . 11609 2 208 . 2 2 47 47 LYS H H 1 7.435 0.015 . 1 . . . D 43 LYS H . 11609 2 209 . 2 2 47 47 LYS C C 13 179.831 0.160 . 1 . . . D 43 LYS C . 11609 2 210 . 2 2 47 47 LYS CA C 13 60.002 0.985 . 1 . . . D 43 LYS CA . 11609 2 211 . 2 2 47 47 LYS CB C 13 32.110 0.985 . 1 . . . D 43 LYS CB . 11609 2 212 . 2 2 47 47 LYS N N 15 117.997 0.192 . 1 . . . D 43 LYS N . 11609 2 213 . 2 2 48 48 VAL H H 1 7.936 0.015 . 1 . . . D 44 VAL H . 11609 2 214 . 2 2 48 48 VAL C C 13 178.361 0.160 . 1 . . . D 44 VAL C . 11609 2 215 . 2 2 48 48 VAL CA C 13 65.676 0.985 . 1 . . . D 44 VAL CA . 11609 2 216 . 2 2 48 48 VAL CB C 13 30.541 0.985 . 1 . . . D 44 VAL CB . 11609 2 217 . 2 2 48 48 VAL N N 15 120.360 0.192 . 1 . . . D 44 VAL N . 11609 2 218 . 2 2 49 49 LEU H H 1 8.563 0.015 . 1 . . . D 45 LEU H . 11609 2 219 . 2 2 49 49 LEU C C 13 177.233 0.160 . 1 . . . D 45 LEU C . 11609 2 220 . 2 2 49 49 LEU CA C 13 57.753 0.985 . 1 . . . D 45 LEU CA . 11609 2 221 . 2 2 49 49 LEU CB C 13 39.850 0.985 . 1 . . . D 45 LEU CB . 11609 2 222 . 2 2 49 49 LEU N N 15 122.137 0.192 . 1 . . . D 45 LEU N . 11609 2 223 . 2 2 50 50 LYS H H 1 7.702 0.015 . 1 . . . D 46 LYS H . 11609 2 224 . 2 2 50 50 LYS C C 13 177.654 0.160 . 1 . . . D 46 LYS C . 11609 2 225 . 2 2 50 50 LYS CA C 13 57.119 0.985 . 1 . . . D 46 LYS CA . 11609 2 226 . 2 2 50 50 LYS CB C 13 30.964 0.985 . 1 . . . D 46 LYS CB . 11609 2 227 . 2 2 50 50 LYS N N 15 115.027 0.192 . 1 . . . D 46 LYS N . 11609 2 228 . 2 2 51 51 GLN H H 1 7.284 0.015 . 1 . . . D 47 GLN H . 11609 2 229 . 2 2 51 51 GLN C C 13 177.793 0.160 . 1 . . . D 47 GLN C . 11609 2 230 . 2 2 51 51 GLN CA C 13 57.462 0.985 . 1 . . . D 47 GLN CA . 11609 2 231 . 2 2 51 51 GLN CB C 13 28.449 0.985 . 1 . . . D 47 GLN CB . 11609 2 232 . 2 2 51 51 GLN N N 15 115.696 0.192 . 1 . . . D 47 GLN N . 11609 2 233 . 2 2 52 52 VAL H H 1 7.702 0.015 . 1 . . . D 48 VAL H . 11609 2 234 . 2 2 52 52 VAL C C 13 176.326 0.160 . 1 . . . D 48 VAL C . 11609 2 235 . 2 2 52 52 VAL CA C 13 63.352 0.985 . 1 . . . D 48 VAL CA . 11609 2 236 . 2 2 52 52 VAL CB C 13 32.083 0.985 . 1 . . . D 48 VAL CB . 11609 2 237 . 2 2 52 52 VAL N N 15 113.892 0.192 . 1 . . . D 48 VAL N . 11609 2 238 . 2 2 53 53 HIS H H 1 8.905 0.015 . 1 . . . D 49 HIS H . 11609 2 239 . 2 2 53 53 HIS C C 13 172.115 0.160 . 1 . . . D 49 HIS C . 11609 2 240 . 2 2 53 53 HIS CA C 13 53.572 0.985 . 1 . . . D 49 HIS CA . 11609 2 241 . 2 2 53 53 HIS CB C 13 30.947 0.985 . 1 . . . D 49 HIS CB . 11609 2 242 . 2 2 53 53 HIS N N 15 118.940 0.192 . 1 . . . D 49 HIS N . 11609 2 243 . 2 2 54 54 PRO C C 13 177.212 0.160 . 1 . . . D 50 PRO C . 11609 2 244 . 2 2 54 54 PRO CA C 13 64.964 0.985 . 1 . . . D 50 PRO CA . 11609 2 245 . 2 2 54 54 PRO CB C 13 31.593 0.985 . 1 . . . D 50 PRO CB . 11609 2 246 . 2 2 55 55 ASP H H 1 8.339 0.015 . 1 . . . D 51 ASP H . 11609 2 247 . 2 2 55 55 ASP C C 13 176.102 0.160 . 1 . . . D 51 ASP C . 11609 2 248 . 2 2 55 55 ASP CA C 13 53.290 0.985 . 1 . . . D 51 ASP CA . 11609 2 249 . 2 2 55 55 ASP CB C 13 40.524 0.985 . 1 . . . D 51 ASP CB . 11609 2 250 . 2 2 55 55 ASP N N 15 115.975 0.192 . 1 . . . D 51 ASP N . 11609 2 251 . 2 2 56 56 THR H H 1 7.825 0.015 . 1 . . . D 52 THR H . 11609 2 252 . 2 2 56 56 THR C C 13 173.521 0.160 . 1 . . . D 52 THR C . 11609 2 253 . 2 2 56 56 THR CA C 13 62.118 0.985 . 1 . . . D 52 THR CA . 11609 2 254 . 2 2 56 56 THR CB C 13 69.948 0.985 . 1 . . . D 52 THR CB . 11609 2 255 . 2 2 56 56 THR N N 15 119.303 0.192 . 1 . . . D 52 THR N . 11609 2 256 . 2 2 57 57 GLY H H 1 8.558 0.015 . 1 . . . D 53 GLY H . 11609 2 257 . 2 2 57 57 GLY C C 13 173.180 0.160 . 1 . . . D 53 GLY C . 11609 2 258 . 2 2 57 57 GLY CA C 13 43.232 0.985 . 1 . . . D 53 GLY CA . 11609 2 259 . 2 2 57 57 GLY N N 15 113.454 0.192 . 1 . . . D 53 GLY N . 11609 2 260 . 2 2 58 58 ILE H H 1 8.818 0.015 . 1 . . . D 54 ILE H . 11609 2 261 . 2 2 58 58 ILE C C 13 173.150 0.160 . 1 . . . D 54 ILE C . 11609 2 262 . 2 2 58 58 ILE CA C 13 59.610 0.985 . 1 . . . D 54 ILE CA . 11609 2 263 . 2 2 58 58 ILE CB C 13 39.963 0.985 . 1 . . . D 54 ILE CB . 11609 2 264 . 2 2 58 58 ILE N N 15 118.257 0.192 . 1 . . . D 54 ILE N . 11609 2 265 . 2 2 59 59 SER H H 1 8.976 0.015 . 1 . . . D 55 SER H . 11609 2 266 . 2 2 59 59 SER C C 13 174.577 0.160 . 1 . . . D 55 SER C . 11609 2 267 . 2 2 59 59 SER CA C 13 57.102 0.985 . 1 . . . D 55 SER CA . 11609 2 268 . 2 2 59 59 SER CB C 13 65.246 0.985 . 1 . . . D 55 SER CB . 11609 2 269 . 2 2 59 59 SER N N 15 125.069 0.192 . 1 . . . D 55 SER N . 11609 2 270 . 2 2 60 60 SER H H 1 9.132 0.015 . 1 . . . D 56 SER H . 11609 2 271 . 2 2 60 60 SER C C 13 178.566 0.160 . 1 . . . D 56 SER C . 11609 2 272 . 2 2 60 60 SER CA C 13 61.815 0.985 . 1 . . . D 56 SER CA . 11609 2 273 . 2 2 60 60 SER CB C 13 62.942 0.985 . 1 . . . D 56 SER CB . 11609 2 274 . 2 2 60 60 SER N N 15 119.076 0.192 . 1 . . . D 56 SER N . 11609 2 275 . 2 2 61 61 LYS H H 1 8.633 0.015 . 1 . . . D 57 LYS H . 11609 2 276 . 2 2 61 61 LYS C C 13 180.256 0.160 . 1 . . . D 57 LYS C . 11609 2 277 . 2 2 61 61 LYS CA C 13 58.961 0.985 . 1 . . . D 57 LYS CA . 11609 2 278 . 2 2 61 61 LYS CB C 13 31.804 0.985 . 1 . . . D 57 LYS CB . 11609 2 279 . 2 2 61 61 LYS N N 15 122.350 0.192 . 1 . . . D 57 LYS N . 11609 2 280 . 2 2 62 62 ALA H H 1 7.589 0.015 . 1 . . . D 58 ALA H . 11609 2 281 . 2 2 62 62 ALA C C 13 178.558 0.160 . 1 . . . D 58 ALA C . 11609 2 282 . 2 2 62 62 ALA CA C 13 54.637 0.985 . 1 . . . D 58 ALA CA . 11609 2 283 . 2 2 62 62 ALA CB C 13 17.483 0.985 . 1 . . . D 58 ALA CB . 11609 2 284 . 2 2 62 62 ALA N N 15 121.677 0.192 . 1 . . . D 58 ALA N . 11609 2 285 . 2 2 63 63 MET H H 1 8.743 0.015 . 1 . . . D 59 MET H . 11609 2 286 . 2 2 63 63 MET C C 13 178.310 0.160 . 1 . . . D 59 MET C . 11609 2 287 . 2 2 63 63 MET CA C 13 56.997 0.985 . 1 . . . D 59 MET CA . 11609 2 288 . 2 2 63 63 MET CB C 13 30.585 0.985 . 1 . . . D 59 MET CB . 11609 2 289 . 2 2 63 63 MET N N 15 120.511 0.192 . 1 . . . D 59 MET N . 11609 2 290 . 2 2 64 64 GLY H H 1 7.997 0.015 . 1 . . . D 60 GLY H . 11609 2 291 . 2 2 64 64 GLY C C 13 177.095 0.160 . 1 . . . D 60 GLY C . 11609 2 292 . 2 2 64 64 GLY CA C 13 47.086 0.985 . 1 . . . D 60 GLY CA . 11609 2 293 . 2 2 64 64 GLY N N 15 107.736 0.192 . 1 . . . D 60 GLY N . 11609 2 294 . 2 2 65 65 ILE H H 1 7.303 0.015 . 1 . . . D 61 ILE H . 11609 2 295 . 2 2 65 65 ILE C C 13 177.984 0.160 . 1 . . . D 61 ILE C . 11609 2 296 . 2 2 65 65 ILE CA C 13 64.427 0.985 . 1 . . . D 61 ILE CA . 11609 2 297 . 2 2 65 65 ILE CB C 13 36.289 0.985 . 1 . . . D 61 ILE CB . 11609 2 298 . 2 2 65 65 ILE N N 15 124.246 0.192 . 1 . . . D 61 ILE N . 11609 2 299 . 2 2 66 66 MET H H 1 7.949 0.015 . 1 . . . D 62 MET H . 11609 2 300 . 2 2 66 66 MET C C 13 179.011 0.160 . 1 . . . D 62 MET C . 11609 2 301 . 2 2 66 66 MET CA C 13 55.883 0.985 . 1 . . . D 62 MET CA . 11609 2 302 . 2 2 66 66 MET CB C 13 28.043 0.985 . 1 . . . D 62 MET CB . 11609 2 303 . 2 2 66 66 MET N N 15 118.522 0.192 . 1 . . . D 62 MET N . 11609 2 304 . 2 2 67 67 ASN H H 1 8.599 0.015 . 1 . . . D 63 ASN H . 11609 2 305 . 2 2 67 67 ASN C C 13 178.866 0.160 . 1 . . . D 63 ASN C . 11609 2 306 . 2 2 67 67 ASN CA C 13 57.181 0.985 . 1 . . . D 63 ASN CA . 11609 2 307 . 2 2 67 67 ASN CB C 13 38.873 0.985 . 1 . . . D 63 ASN CB . 11609 2 308 . 2 2 67 67 ASN N N 15 117.773 0.192 . 1 . . . D 63 ASN N . 11609 2 309 . 2 2 68 68 SER H H 1 8.097 0.015 . 1 . . . D 64 SER H . 11609 2 310 . 2 2 68 68 SER CA C 13 62.076 0.985 . 1 . . . D 64 SER CA . 11609 2 311 . 2 2 68 68 SER N N 15 119.525 0.192 . 1 . . . D 64 SER N . 11609 2 312 . 2 2 69 69 PHE H H 1 8.440 0.015 . 1 . . . D 65 PHE H . 11609 2 313 . 2 2 69 69 PHE C C 13 177.818 0.160 . 1 . . . D 65 PHE C . 11609 2 314 . 2 2 69 69 PHE CA C 13 57.743 0.985 . 1 . . . D 65 PHE CA . 11609 2 315 . 2 2 69 69 PHE CB C 13 37.073 0.985 . 1 . . . D 65 PHE CB . 11609 2 316 . 2 2 69 69 PHE N N 15 122.567 0.192 . 1 . . . D 65 PHE N . 11609 2 317 . 2 2 70 70 VAL H H 1 8.438 0.015 . 1 . . . D 66 VAL H . 11609 2 318 . 2 2 70 70 VAL C C 13 177.803 0.160 . 1 . . . D 66 VAL C . 11609 2 319 . 2 2 70 70 VAL CA C 13 67.423 0.985 . 1 . . . D 66 VAL CA . 11609 2 320 . 2 2 70 70 VAL CB C 13 30.908 0.985 . 1 . . . D 66 VAL CB . 11609 2 321 . 2 2 70 70 VAL N N 15 118.726 0.192 . 1 . . . D 66 VAL N . 11609 2 322 . 2 2 71 71 ASN H H 1 8.070 0.015 . 1 . . . D 67 ASN H . 11609 2 323 . 2 2 71 71 ASN C C 13 176.907 0.160 . 1 . . . D 67 ASN C . 11609 2 324 . 2 2 71 71 ASN CA C 13 57.165 0.985 . 1 . . . D 67 ASN CA . 11609 2 325 . 2 2 71 71 ASN CB C 13 39.821 0.985 . 1 . . . D 67 ASN CB . 11609 2 326 . 2 2 71 71 ASN N N 15 115.621 0.192 . 1 . . . D 67 ASN N . 11609 2 327 . 2 2 72 72 ASP H H 1 8.193 0.015 . 1 . . . D 68 ASP H . 11609 2 328 . 2 2 72 72 ASP C C 13 178.181 0.160 . 1 . . . D 68 ASP C . 11609 2 329 . 2 2 72 72 ASP CA C 13 57.694 0.985 . 1 . . . D 68 ASP CA . 11609 2 330 . 2 2 72 72 ASP CB C 13 42.173 0.985 . 1 . . . D 68 ASP CB . 11609 2 331 . 2 2 72 72 ASP N N 15 120.035 0.192 . 1 . . . D 68 ASP N . 11609 2 332 . 2 2 73 73 ILE H H 1 8.373 0.015 . 1 . . . D 69 ILE H . 11609 2 333 . 2 2 73 73 ILE C C 13 177.783 0.160 . 1 . . . D 69 ILE C . 11609 2 334 . 2 2 73 73 ILE CA C 13 63.868 0.985 . 1 . . . D 69 ILE CA . 11609 2 335 . 2 2 73 73 ILE CB C 13 35.888 0.985 . 1 . . . D 69 ILE CB . 11609 2 336 . 2 2 73 73 ILE N N 15 118.491 0.192 . 1 . . . D 69 ILE N . 11609 2 337 . 2 2 74 74 PHE H H 1 8.590 0.015 . 1 . . . D 70 PHE H . 11609 2 338 . 2 2 74 74 PHE C C 13 176.189 0.160 . 1 . . . D 70 PHE C . 11609 2 339 . 2 2 74 74 PHE CA C 13 62.536 0.985 . 1 . . . D 70 PHE CA . 11609 2 340 . 2 2 74 74 PHE CB C 13 38.464 0.985 . 1 . . . D 70 PHE CB . 11609 2 341 . 2 2 74 74 PHE N N 15 120.235 0.192 . 1 . . . D 70 PHE N . 11609 2 342 . 2 2 75 75 GLU H H 1 8.360 0.015 . 1 . . . D 71 GLU H . 11609 2 343 . 2 2 75 75 GLU C C 13 180.758 0.160 . 1 . . . D 71 GLU C . 11609 2 344 . 2 2 75 75 GLU CA C 13 59.089 0.985 . 1 . . . D 71 GLU CA . 11609 2 345 . 2 2 75 75 GLU CB C 13 28.560 0.985 . 1 . . . D 71 GLU CB . 11609 2 346 . 2 2 75 75 GLU N N 15 117.876 0.192 . 1 . . . D 71 GLU N . 11609 2 347 . 2 2 76 76 ARG H H 1 8.440 0.015 . 1 . . . D 72 ARG H . 11609 2 348 . 2 2 76 76 ARG HA H 1 4.245 0.058 . 1 . . . D 72 ARG HA . 11609 2 349 . 2 2 76 76 ARG C C 13 179.722 0.160 . 1 . . . D 72 ARG C . 11609 2 350 . 2 2 76 76 ARG CA C 13 59.302 0.985 . 1 . . . D 72 ARG CA . 11609 2 351 . 2 2 76 76 ARG CB C 13 30.797 0.985 . 1 . . . D 72 ARG CB . 11609 2 352 . 2 2 76 76 ARG N N 15 120.080 0.192 . 1 . . . D 72 ARG N . 11609 2 353 . 2 2 77 77 ILE H H 1 8.289 0.015 . 1 . . . D 73 ILE H . 11609 2 354 . 2 2 77 77 ILE C C 13 177.027 0.160 . 1 . . . D 73 ILE C . 11609 2 355 . 2 2 77 77 ILE CA C 13 64.689 0.985 . 1 . . . D 73 ILE CA . 11609 2 356 . 2 2 77 77 ILE CB C 13 36.470 0.985 . 1 . . . D 73 ILE CB . 11609 2 357 . 2 2 77 77 ILE N N 15 119.345 0.192 . 1 . . . D 73 ILE N . 11609 2 358 . 2 2 78 78 ALA H H 1 8.708 0.015 . 1 . . . D 74 ALA H . 11609 2 359 . 2 2 78 78 ALA C C 13 179.406 0.160 . 1 . . . D 74 ALA C . 11609 2 360 . 2 2 78 78 ALA CA C 13 55.147 0.985 . 1 . . . D 74 ALA CA . 11609 2 361 . 2 2 78 78 ALA CB C 13 16.056 0.985 . 1 . . . D 74 ALA CB . 11609 2 362 . 2 2 78 78 ALA N N 15 122.338 0.192 . 1 . . . D 74 ALA N . 11609 2 363 . 2 2 79 79 GLY H H 1 8.117 0.015 . 1 . . . D 75 GLY H . 11609 2 364 . 2 2 79 79 GLY C C 13 176.813 0.160 . 1 . . . D 75 GLY C . 11609 2 365 . 2 2 79 79 GLY CA C 13 46.646 0.985 . 1 . . . D 75 GLY CA . 11609 2 366 . 2 2 79 79 GLY N N 15 103.929 0.192 . 1 . . . D 75 GLY N . 11609 2 367 . 2 2 80 80 GLU H H 1 7.582 0.015 . 1 . . . D 76 GLU H . 11609 2 368 . 2 2 80 80 GLU C C 13 178.081 0.160 . 1 . . . D 76 GLU C . 11609 2 369 . 2 2 80 80 GLU CA C 13 57.851 0.985 . 1 . . . D 76 GLU CA . 11609 2 370 . 2 2 80 80 GLU CB C 13 29.174 0.985 . 1 . . . D 76 GLU CB . 11609 2 371 . 2 2 80 80 GLU N N 15 124.386 0.192 . 1 . . . D 76 GLU N . 11609 2 372 . 2 2 81 81 ALA H H 1 8.741 0.015 . 1 . . . D 77 ALA H . 11609 2 373 . 2 2 81 81 ALA C C 13 178.888 0.160 . 1 . . . D 77 ALA C . 11609 2 374 . 2 2 81 81 ALA CA C 13 54.674 0.985 . 1 . . . D 77 ALA CA . 11609 2 375 . 2 2 81 81 ALA CB C 13 17.113 0.985 . 1 . . . D 77 ALA CB . 11609 2 376 . 2 2 81 81 ALA N N 15 122.149 0.192 . 1 . . . D 77 ALA N . 11609 2 377 . 2 2 82 82 SER H H 1 8.207 0.015 . 1 . . . D 78 SER H . 11609 2 378 . 2 2 82 82 SER C C 13 177.560 0.160 . 1 . . . D 78 SER C . 11609 2 379 . 2 2 82 82 SER CA C 13 60.821 0.985 . 1 . . . D 78 SER CA . 11609 2 380 . 2 2 82 82 SER CB C 13 63.186 0.985 . 1 . . . D 78 SER CB . 11609 2 381 . 2 2 82 82 SER N N 15 111.144 0.192 . 1 . . . D 78 SER N . 11609 2 382 . 2 2 83 83 ARG H H 1 7.832 0.015 . 1 . . . D 79 ARG H . 11609 2 383 . 2 2 83 83 ARG C C 13 179.644 0.160 . 1 . . . D 79 ARG C . 11609 2 384 . 2 2 83 83 ARG CA C 13 59.830 0.985 . 1 . . . D 79 ARG CA . 11609 2 385 . 2 2 83 83 ARG CB C 13 29.061 0.985 . 1 . . . D 79 ARG CB . 11609 2 386 . 2 2 83 83 ARG N N 15 123.254 0.192 . 1 . . . D 79 ARG N . 11609 2 387 . 2 2 84 84 LEU H H 1 8.370 0.015 . 1 . . . D 80 LEU H . 11609 2 388 . 2 2 84 84 LEU C C 13 180.085 0.160 . 1 . . . D 80 LEU C . 11609 2 389 . 2 2 84 84 LEU CA C 13 57.333 0.985 . 1 . . . D 80 LEU CA . 11609 2 390 . 2 2 84 84 LEU CB C 13 41.334 0.985 . 1 . . . D 80 LEU CB . 11609 2 391 . 2 2 84 84 LEU N N 15 120.153 0.192 . 1 . . . D 80 LEU N . 11609 2 392 . 2 2 85 85 ALA H H 1 8.393 0.015 . 1 . . . D 81 ALA H . 11609 2 393 . 2 2 85 85 ALA C C 13 179.392 0.160 . 1 . . . D 81 ALA C . 11609 2 394 . 2 2 85 85 ALA CA C 13 54.813 0.985 . 1 . . . D 81 ALA CA . 11609 2 395 . 2 2 85 85 ALA CB C 13 17.152 0.985 . 1 . . . D 81 ALA CB . 11609 2 396 . 2 2 85 85 ALA N N 15 122.521 0.192 . 1 . . . D 81 ALA N . 11609 2 397 . 2 2 86 86 HIS H H 1 8.038 0.015 . 1 . . . D 82 HIS H . 11609 2 398 . 2 2 86 86 HIS C C 13 174.726 0.160 . 1 . . . D 82 HIS C . 11609 2 399 . 2 2 86 86 HIS CA C 13 58.133 0.985 . 1 . . . D 82 HIS CA . 11609 2 400 . 2 2 86 86 HIS CB C 13 27.634 0.985 . 1 . . . D 82 HIS CB . 11609 2 401 . 2 2 86 86 HIS N N 15 115.026 0.192 . 1 . . . D 82 HIS N . 11609 2 402 . 2 2 87 87 TYR C C 13 176.554 0.160 . 1 . . . D 83 TYR C . 11609 2 403 . 2 2 87 87 TYR CA C 13 60.040 0.985 . 1 . . . D 83 TYR CA . 11609 2 404 . 2 2 87 87 TYR CB C 13 37.314 0.985 . 1 . . . D 83 TYR CB . 11609 2 405 . 2 2 88 88 ASN H H 1 7.628 0.015 . 1 . . . D 84 ASN H . 11609 2 406 . 2 2 88 88 ASN C C 13 173.906 0.160 . 1 . . . D 84 ASN C . 11609 2 407 . 2 2 88 88 ASN CA C 13 52.560 0.985 . 1 . . . D 84 ASN CA . 11609 2 408 . 2 2 88 88 ASN CB C 13 39.286 0.985 . 1 . . . D 84 ASN CB . 11609 2 409 . 2 2 88 88 ASN N N 15 115.645 0.192 . 1 . . . D 84 ASN N . 11609 2 410 . 2 2 89 89 LYS H H 1 8.061 0.015 . 1 . . . D 85 LYS H . 11609 2 411 . 2 2 89 89 LYS C C 13 176.345 0.160 . 1 . . . D 85 LYS C . 11609 2 412 . 2 2 89 89 LYS CA C 13 57.434 0.985 . 1 . . . D 85 LYS CA . 11609 2 413 . 2 2 89 89 LYS CB C 13 29.131 0.985 . 1 . . . D 85 LYS CB . 11609 2 414 . 2 2 89 89 LYS N N 15 118.142 0.192 . 1 . . . D 85 LYS N . 11609 2 415 . 2 2 90 90 ARG H H 1 8.394 0.015 . 1 . . . D 86 ARG H . 11609 2 416 . 2 2 90 90 ARG C C 13 176.741 0.160 . 1 . . . D 86 ARG C . 11609 2 417 . 2 2 90 90 ARG CA C 13 54.295 0.985 . 1 . . . D 86 ARG CA . 11609 2 418 . 2 2 90 90 ARG CB C 13 30.232 0.985 . 1 . . . D 86 ARG CB . 11609 2 419 . 2 2 90 90 ARG N N 15 117.974 0.192 . 1 . . . D 86 ARG N . 11609 2 420 . 2 2 91 91 SER H H 1 8.515 0.015 . 1 . . . D 87 SER H . 11609 2 421 . 2 2 91 91 SER C C 13 173.322 0.160 . 1 . . . D 87 SER C . 11609 2 422 . 2 2 91 91 SER CA C 13 58.254 0.985 . 1 . . . D 87 SER CA . 11609 2 423 . 2 2 91 91 SER CB C 13 63.171 0.985 . 1 . . . D 87 SER CB . 11609 2 424 . 2 2 91 91 SER N N 15 118.145 0.192 . 1 . . . D 87 SER N . 11609 2 425 . 2 2 92 92 THR H H 1 7.505 0.015 . 1 . . . D 88 THR H . 11609 2 426 . 2 2 92 92 THR C C 13 173.657 0.160 . 1 . . . D 88 THR C . 11609 2 427 . 2 2 92 92 THR CA C 13 60.051 0.985 . 1 . . . D 88 THR CA . 11609 2 428 . 2 2 92 92 THR CB C 13 70.842 0.985 . 1 . . . D 88 THR CB . 11609 2 429 . 2 2 92 92 THR N N 15 116.492 0.192 . 1 . . . D 88 THR N . 11609 2 430 . 2 2 93 93 ILE H H 1 7.659 0.015 . 1 . . . D 89 ILE H . 11609 2 431 . 2 2 93 93 ILE C C 13 173.657 0.160 . 1 . . . D 89 ILE C . 11609 2 432 . 2 2 93 93 ILE CA C 13 61.773 0.985 . 1 . . . D 89 ILE CA . 11609 2 433 . 2 2 93 93 ILE CB C 13 38.927 0.985 . 1 . . . D 89 ILE CB . 11609 2 434 . 2 2 93 93 ILE N N 15 124.262 0.192 . 1 . . . D 89 ILE N . 11609 2 435 . 2 2 94 94 THR H H 1 9.266 0.015 . 1 . . . D 90 THR H . 11609 2 436 . 2 2 94 94 THR C C 13 176.199 0.160 . 1 . . . D 90 THR C . 11609 2 437 . 2 2 94 94 THR CA C 13 59.969 0.985 . 1 . . . D 90 THR CA . 11609 2 438 . 2 2 94 94 THR CB C 13 73.255 0.985 . 1 . . . D 90 THR CB . 11609 2 439 . 2 2 94 94 THR N N 15 121.207 0.192 . 1 . . . D 90 THR N . 11609 2 440 . 2 2 95 95 SER H H 1 8.961 0.015 . 1 . . . D 91 SER H . 11609 2 441 . 2 2 95 95 SER C C 13 174.446 0.160 . 1 . . . D 91 SER C . 11609 2 442 . 2 2 95 95 SER CA C 13 62.102 0.985 . 1 . . . D 91 SER CA . 11609 2 443 . 2 2 95 95 SER CB C 13 63.389 0.985 . 1 . . . D 91 SER CB . 11609 2 444 . 2 2 95 95 SER N N 15 117.189 0.192 . 1 . . . D 91 SER N . 11609 2 445 . 2 2 96 96 ARG H H 1 7.789 0.015 . 1 . . . D 92 ARG H . 11609 2 446 . 2 2 96 96 ARG C C 13 178.378 0.160 . 1 . . . D 92 ARG C . 11609 2 447 . 2 2 96 96 ARG CA C 13 59.038 0.985 . 1 . . . D 92 ARG CA . 11609 2 448 . 2 2 96 96 ARG CB C 13 28.685 0.985 . 1 . . . D 92 ARG CB . 11609 2 449 . 2 2 96 96 ARG N N 15 122.396 0.192 . 1 . . . D 92 ARG N . 11609 2 450 . 2 2 97 97 GLU H H 1 7.418 0.015 . 1 . . . D 93 GLU H . 11609 2 451 . 2 2 97 97 GLU C C 13 178.527 0.160 . 1 . . . D 93 GLU C . 11609 2 452 . 2 2 97 97 GLU CA C 13 61.160 0.985 . 1 . . . D 93 GLU CA . 11609 2 453 . 2 2 97 97 GLU CB C 13 28.565 0.985 . 1 . . . D 93 GLU CB . 11609 2 454 . 2 2 97 97 GLU N N 15 119.326 0.192 . 1 . . . D 93 GLU N . 11609 2 455 . 2 2 98 98 ILE H H 1 7.115 0.015 . 1 . . . D 94 ILE H . 11609 2 456 . 2 2 98 98 ILE C C 13 176.322 0.160 . 1 . . . D 94 ILE C . 11609 2 457 . 2 2 98 98 ILE CA C 13 61.747 0.985 . 1 . . . D 94 ILE CA . 11609 2 458 . 2 2 98 98 ILE CB C 13 33.365 0.985 . 1 . . . D 94 ILE CB . 11609 2 459 . 2 2 98 98 ILE N N 15 116.323 0.192 . 1 . . . D 94 ILE N . 11609 2 460 . 2 2 99 99 GLN H H 1 7.869 0.015 . 1 . . . D 95 GLN H . 11609 2 461 . 2 2 99 99 GLN C C 13 177.295 0.160 . 1 . . . D 95 GLN C . 11609 2 462 . 2 2 99 99 GLN CA C 13 59.562 0.985 . 1 . . . D 95 GLN CA . 11609 2 463 . 2 2 99 99 GLN CB C 13 28.451 0.985 . 1 . . . D 95 GLN CB . 11609 2 464 . 2 2 99 99 GLN N N 15 119.709 0.192 . 1 . . . D 95 GLN N . 11609 2 465 . 2 2 100 100 THR H H 1 8.121 0.015 . 1 . . . D 96 THR H . 11609 2 466 . 2 2 100 100 THR C C 13 175.857 0.160 . 1 . . . D 96 THR C . 11609 2 467 . 2 2 100 100 THR CA C 13 66.546 0.985 . 1 . . . D 96 THR CA . 11609 2 468 . 2 2 100 100 THR CB C 13 67.707 0.985 . 1 . . . D 96 THR CB . 11609 2 469 . 2 2 100 100 THR N N 15 115.939 0.192 . 1 . . . D 96 THR N . 11609 2 470 . 2 2 101 101 ALA H H 1 7.874 0.015 . 1 . . . D 97 ALA H . 11609 2 471 . 2 2 101 101 ALA C C 13 178.908 0.160 . 1 . . . D 97 ALA C . 11609 2 472 . 2 2 101 101 ALA CA C 13 55.432 0.985 . 1 . . . D 97 ALA CA . 11609 2 473 . 2 2 101 101 ALA CB C 13 18.708 0.985 . 1 . . . D 97 ALA CB . 11609 2 474 . 2 2 101 101 ALA N N 15 123.264 0.192 . 1 . . . D 97 ALA N . 11609 2 475 . 2 2 102 102 VAL H H 1 8.442 0.015 . 1 . . . D 98 VAL H . 11609 2 476 . 2 2 102 102 VAL C C 13 177.007 0.160 . 1 . . . D 98 VAL C . 11609 2 477 . 2 2 102 102 VAL CA C 13 66.835 0.985 . 1 . . . D 98 VAL CA . 11609 2 478 . 2 2 102 102 VAL CB C 13 30.317 0.985 . 1 . . . D 98 VAL CB . 11609 2 479 . 2 2 102 102 VAL N N 15 118.026 0.192 . 1 . . . D 98 VAL N . 11609 2 480 . 2 2 103 103 ARG H H 1 7.826 0.015 . 1 . . . D 99 ARG H . 11609 2 481 . 2 2 103 103 ARG C C 13 178.310 0.160 . 1 . . . D 99 ARG C . 11609 2 482 . 2 2 103 103 ARG CA C 13 58.986 0.985 . 1 . . . D 99 ARG CA . 11609 2 483 . 2 2 103 103 ARG CB C 13 29.268 0.985 . 1 . . . D 99 ARG CB . 11609 2 484 . 2 2 103 103 ARG N N 15 117.201 0.192 . 1 . . . D 99 ARG N . 11609 2 485 . 2 2 104 104 LEU H H 1 7.779 0.015 . 1 . . . D 100 LEU H . 11609 2 486 . 2 2 104 104 LEU C C 13 179.422 0.160 . 1 . . . D 100 LEU C . 11609 2 487 . 2 2 104 104 LEU CA C 13 56.563 0.985 . 1 . . . D 100 LEU CA . 11609 2 488 . 2 2 104 104 LEU CB C 13 41.758 0.985 . 1 . . . D 100 LEU CB . 11609 2 489 . 2 2 104 104 LEU N N 15 118.002 0.192 . 1 . . . D 100 LEU N . 11609 2 490 . 2 2 105 105 LEU H H 1 7.902 0.015 . 1 . . . D 101 LEU H . 11609 2 491 . 2 2 105 105 LEU C C 13 177.347 0.160 . 1 . . . D 101 LEU C . 11609 2 492 . 2 2 105 105 LEU CA C 13 55.700 0.985 . 1 . . . D 101 LEU CA . 11609 2 493 . 2 2 105 105 LEU CB C 13 43.369 0.985 . 1 . . . D 101 LEU CB . 11609 2 494 . 2 2 105 105 LEU N N 15 117.524 0.192 . 1 . . . D 101 LEU N . 11609 2 495 . 2 2 106 106 LEU H H 1 8.162 0.015 . 1 . . . D 102 LEU H . 11609 2 496 . 2 2 106 106 LEU CA C 13 53.031 0.985 . 1 . . . D 102 LEU CA . 11609 2 497 . 2 2 106 106 LEU CB C 13 39.361 0.985 . 1 . . . D 102 LEU CB . 11609 2 498 . 2 2 106 106 LEU N N 15 120.459 0.192 . 1 . . . D 102 LEU N . 11609 2 499 . 2 2 107 107 PRO C C 13 176.799 0.160 . 9 . . . D 103 PRO C . 11609 2 500 . 2 2 108 108 GLY H H 1 8.107 0.015 . 1 . . . D 104 GLY H . 11609 2 501 . 2 2 108 108 GLY C C 13 175.921 0.160 . 1 . . . D 104 GLY C . 11609 2 502 . 2 2 108 108 GLY CA C 13 47.995 0.985 . 1 . . . D 104 GLY CA . 11609 2 503 . 2 2 108 108 GLY N N 15 105.341 0.192 . 1 . . . D 104 GLY N . 11609 2 504 . 2 2 109 109 GLU H H 1 10.267 0.015 . 1 . . . D 105 GLU H . 11609 2 505 . 2 2 109 109 GLU C C 13 179.323 0.160 . 1 . . . D 105 GLU C . 11609 2 506 . 2 2 109 109 GLU CA C 13 58.804 0.985 . 1 . . . D 105 GLU CA . 11609 2 507 . 2 2 109 109 GLU CB C 13 28.048 0.985 . 1 . . . D 105 GLU CB . 11609 2 508 . 2 2 109 109 GLU N N 15 129.383 0.192 . 1 . . . D 105 GLU N . 11609 2 509 . 2 2 110 110 LEU H H 1 8.961 0.015 . 1 . . . D 106 LEU H . 11609 2 510 . 2 2 110 110 LEU C C 13 179.592 0.160 . 1 . . . D 106 LEU C . 11609 2 511 . 2 2 110 110 LEU CA C 13 57.378 0.985 . 1 . . . D 106 LEU CA . 11609 2 512 . 2 2 110 110 LEU CB C 13 42.144 0.985 . 1 . . . D 106 LEU CB . 11609 2 513 . 2 2 110 110 LEU N N 15 123.879 0.192 . 1 . . . D 106 LEU N . 11609 2 514 . 2 2 111 111 ALA H H 1 7.970 0.015 . 1 . . . D 107 ALA H . 11609 2 515 . 2 2 111 111 ALA C C 13 179.129 0.160 . 1 . . . D 107 ALA C . 11609 2 516 . 2 2 111 111 ALA CA C 13 54.998 0.985 . 1 . . . D 107 ALA CA . 11609 2 517 . 2 2 111 111 ALA CB C 13 17.803 0.985 . 1 . . . D 107 ALA CB . 11609 2 518 . 2 2 111 111 ALA N N 15 119.296 0.192 . 1 . . . D 107 ALA N . 11609 2 519 . 2 2 112 112 LYS H H 1 7.351 0.015 . 1 . . . D 108 LYS H . 11609 2 520 . 2 2 112 112 LYS C C 13 180.267 0.160 . 1 . . . D 108 LYS C . 11609 2 521 . 2 2 112 112 LYS CA C 13 59.299 0.985 . 1 . . . D 108 LYS CA . 11609 2 522 . 2 2 112 112 LYS CB C 13 31.462 0.985 . 1 . . . D 108 LYS CB . 11609 2 523 . 2 2 112 112 LYS N N 15 116.871 0.192 . 1 . . . D 108 LYS N . 11609 2 524 . 2 2 113 113 HIS H H 1 8.105 0.015 . 1 . . . D 109 HIS H . 11609 2 525 . 2 2 113 113 HIS C C 13 176.528 0.160 . 1 . . . D 109 HIS C . 11609 2 526 . 2 2 113 113 HIS CA C 13 57.709 0.985 . 1 . . . D 109 HIS CA . 11609 2 527 . 2 2 113 113 HIS CB C 13 28.206 0.985 . 1 . . . D 109 HIS CB . 11609 2 528 . 2 2 113 113 HIS N N 15 117.727 0.192 . 1 . . . D 109 HIS N . 11609 2 529 . 2 2 114 114 ALA H H 1 8.662 0.015 . 1 . . . D 110 ALA H . 11609 2 530 . 2 2 114 114 ALA C C 13 178.929 0.160 . 1 . . . D 110 ALA C . 11609 2 531 . 2 2 114 114 ALA CA C 13 54.726 0.985 . 1 . . . D 110 ALA CA . 11609 2 532 . 2 2 114 114 ALA CB C 13 18.527 0.985 . 1 . . . D 110 ALA CB . 11609 2 533 . 2 2 114 114 ALA N N 15 123.534 0.192 . 1 . . . D 110 ALA N . 11609 2 534 . 2 2 115 115 VAL H H 1 8.255 0.015 . 1 . . . D 111 VAL H . 11609 2 535 . 2 2 115 115 VAL C C 13 179.821 0.160 . 1 . . . D 111 VAL C . 11609 2 536 . 2 2 115 115 VAL CA C 13 63.971 0.985 . 1 . . . D 111 VAL CA . 11609 2 537 . 2 2 115 115 VAL CB C 13 30.849 0.985 . 1 . . . D 111 VAL CB . 11609 2 538 . 2 2 115 115 VAL N N 15 117.377 0.192 . 1 . . . D 111 VAL N . 11609 2 539 . 2 2 116 116 SER H H 1 7.461 0.015 . 1 . . . D 112 SER H . 11609 2 540 . 2 2 116 116 SER C C 13 177.256 0.160 . 1 . . . D 112 SER C . 11609 2 541 . 2 2 116 116 SER CA C 13 61.466 0.985 . 1 . . . D 112 SER CA . 11609 2 542 . 2 2 116 116 SER CB C 13 62.400 0.985 . 1 . . . D 112 SER CB . 11609 2 543 . 2 2 116 116 SER N N 15 117.591 0.192 . 1 . . . D 112 SER N . 11609 2 544 . 2 2 117 117 GLU H H 1 8.105 0.015 . 1 . . . D 113 GLU H . 11609 2 545 . 2 2 117 117 GLU C C 13 180.059 0.160 . 1 . . . D 113 GLU C . 11609 2 546 . 2 2 117 117 GLU CA C 13 58.220 0.985 . 1 . . . D 113 GLU CA . 11609 2 547 . 2 2 117 117 GLU CB C 13 27.711 0.985 . 1 . . . D 113 GLU CB . 11609 2 548 . 2 2 117 117 GLU N N 15 119.696 0.192 . 1 . . . D 113 GLU N . 11609 2 549 . 2 2 118 118 GLY H H 1 8.649 0.015 . 1 . . . D 114 GLY H . 11609 2 550 . 2 2 118 118 GLY C C 13 174.722 0.160 . 1 . . . D 114 GLY C . 11609 2 551 . 2 2 118 118 GLY CA C 13 46.328 0.985 . 1 . . . D 114 GLY CA . 11609 2 552 . 2 2 118 118 GLY N N 15 109.770 0.192 . 1 . . . D 114 GLY N . 11609 2 553 . 2 2 119 119 THR H H 1 7.954 0.015 . 1 . . . D 115 THR H . 11609 2 554 . 2 2 119 119 THR C C 13 177.413 0.160 . 1 . . . D 115 THR C . 11609 2 555 . 2 2 119 119 THR CA C 13 66.276 0.985 . 1 . . . D 115 THR CA . 11609 2 556 . 2 2 119 119 THR CB C 13 68.421 0.985 . 1 . . . D 115 THR CB . 11609 2 557 . 2 2 119 119 THR N N 15 116.756 0.192 . 1 . . . D 115 THR N . 11609 2 558 . 2 2 120 120 LYS H H 1 7.928 0.015 . 1 . . . D 116 LYS H . 11609 2 559 . 2 2 120 120 LYS C C 13 178.787 0.160 . 1 . . . D 116 LYS C . 11609 2 560 . 2 2 120 120 LYS CA C 13 59.358 0.985 . 1 . . . D 116 LYS CA . 11609 2 561 . 2 2 120 120 LYS CB C 13 31.537 0.985 . 1 . . . D 116 LYS CB . 11609 2 562 . 2 2 120 120 LYS N N 15 123.430 0.192 . 1 . . . D 116 LYS N . 11609 2 563 . 2 2 121 121 ALA H H 1 7.649 0.015 . 1 . . . D 117 ALA H . 11609 2 564 . 2 2 121 121 ALA C C 13 179.835 0.160 . 1 . . . D 117 ALA C . 11609 2 565 . 2 2 121 121 ALA CA C 13 54.655 0.985 . 1 . . . D 117 ALA CA . 11609 2 566 . 2 2 121 121 ALA CB C 13 18.350 0.985 . 1 . . . D 117 ALA CB . 11609 2 567 . 2 2 121 121 ALA N N 15 121.817 0.192 . 1 . . . D 117 ALA N . 11609 2 568 . 2 2 122 122 VAL H H 1 8.073 0.015 . 1 . . . D 118 VAL H . 11609 2 569 . 2 2 122 122 VAL C C 13 179.065 0.160 . 1 . . . D 118 VAL C . 11609 2 570 . 2 2 122 122 VAL CA C 13 66.795 0.985 . 1 . . . D 118 VAL CA . 11609 2 571 . 2 2 122 122 VAL CB C 13 30.851 0.985 . 1 . . . D 118 VAL CB . 11609 2 572 . 2 2 122 122 VAL N N 15 118.169 0.192 . 1 . . . D 118 VAL N . 11609 2 573 . 2 2 123 123 THR H H 1 8.291 0.015 . 1 . . . D 119 THR H . 11609 2 574 . 2 2 123 123 THR C C 13 176.279 0.160 . 1 . . . D 119 THR C . 11609 2 575 . 2 2 123 123 THR CA C 13 61.894 0.985 . 1 . . . D 119 THR CA . 11609 2 576 . 2 2 123 123 THR CB C 13 67.853 0.985 . 1 . . . D 119 THR CB . 11609 2 577 . 2 2 123 123 THR N N 15 118.553 0.192 . 1 . . . D 119 THR N . 11609 2 578 . 2 2 124 124 LYS H H 1 7.992 0.015 . 1 . . . D 120 LYS H . 11609 2 579 . 2 2 124 124 LYS C C 13 178.483 0.160 . 1 . . . D 120 LYS C . 11609 2 580 . 2 2 124 124 LYS CA C 13 58.673 0.985 . 1 . . . D 120 LYS CA . 11609 2 581 . 2 2 124 124 LYS CB C 13 31.889 0.985 . 1 . . . D 120 LYS CB . 11609 2 582 . 2 2 124 124 LYS N N 15 122.357 0.192 . 1 . . . D 120 LYS N . 11609 2 583 . 2 2 125 125 TYR H H 1 8.358 0.015 . 1 . . . D 121 TYR H . 11609 2 584 . 2 2 125 125 TYR C C 13 177.296 0.160 . 1 . . . D 121 TYR C . 11609 2 585 . 2 2 125 125 TYR CA C 13 60.218 0.985 . 1 . . . D 121 TYR CA . 11609 2 586 . 2 2 125 125 TYR CB C 13 39.318 0.985 . 1 . . . D 121 TYR CB . 11609 2 587 . 2 2 125 125 TYR N N 15 118.785 0.192 . 1 . . . D 121 TYR N . 11609 2 588 . 2 2 126 126 THR H H 1 8.110 0.015 . 1 . . . D 122 THR H . 11609 2 589 . 2 2 126 126 THR C C 13 175.037 0.160 . 1 . . . D 122 THR C . 11609 2 590 . 2 2 126 126 THR CA C 13 62.663 0.985 . 1 . . . D 122 THR CA . 11609 2 591 . 2 2 126 126 THR CB C 13 69.515 0.985 . 1 . . . D 122 THR CB . 11609 2 592 . 2 2 126 126 THR N N 15 111.626 0.192 . 1 . . . D 122 THR N . 11609 2 593 . 2 2 127 127 SER H H 1 7.816 0.015 . 1 . . . D 123 SER H . 11609 2 594 . 2 2 127 127 SER C C 13 174.041 0.160 . 1 . . . D 123 SER C . 11609 2 595 . 2 2 127 127 SER CA C 13 58.707 0.985 . 1 . . . D 123 SER CA . 11609 2 596 . 2 2 127 127 SER CB C 13 63.603 0.985 . 1 . . . D 123 SER CB . 11609 2 597 . 2 2 127 127 SER N N 15 117.257 0.192 . 1 . . . D 123 SER N . 11609 2 598 . 2 2 128 128 ALA H H 1 7.887 0.015 . 1 . . . D 124 ALA H . 11609 2 599 . 2 2 128 128 ALA C C 13 176.629 0.160 . 1 . . . D 124 ALA C . 11609 2 600 . 2 2 128 128 ALA CA C 13 52.177 0.985 . 1 . . . D 124 ALA CA . 11609 2 601 . 2 2 128 128 ALA CB C 13 18.494 0.985 . 1 . . . D 124 ALA CB . 11609 2 602 . 2 2 128 128 ALA N N 15 126.357 0.192 . 1 . . . D 124 ALA N . 11609 2 603 . 2 2 129 129 LYS H H 1 7.824 0.015 . 1 . . . D 125 LYS H . 11609 2 604 . 2 2 129 129 LYS C C 13 181.595 0.160 . 1 . . . D 125 LYS C . 11609 2 605 . 2 2 129 129 LYS CA C 13 57.212 0.985 . 1 . . . D 125 LYS CA . 11609 2 606 . 2 2 129 129 LYS CB C 13 32.889 0.985 . 1 . . . D 125 LYS CB . 11609 2 607 . 2 2 129 129 LYS N N 15 126.286 0.192 . 1 . . . D 125 LYS N . 11609 2 stop_ save_