data_52244 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52244 _Entry.Title ; H2A and H2B chemical shifts in the Xenopus H2A/H2B heterodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-14 _Entry.Accession_date 2023-12-14 _Entry.Last_release_date 2023-12-14 _Entry.Original_release_date 2023-12-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Benjamin Lorton . M. . 0000-0002-8553-2078 52244 2 Christopher Warren . . . . 52244 3 Humaira Ilyas . . . 0000-0002-5784-9086 52244 4 Sean Cahill . . . 0000-0003-2877-0704 52244 5 David Cowburn . . . 0000-0001-6770-7172 52244 6 David Shechter . . . 0000-0001-9388-6004 52244 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Albert Einstein College of Medicine' . 52244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 52244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 580 52244 '15N chemical shifts' 186 52244 '1H chemical shifts' 186 52244 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 . . 2024-03-18 . original BMRB . 52244 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52244 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37790377 _Citation.DOI 10.1016/j.isci.2024.109458 _Citation.Full_citation . _Citation.Title ; Glutamylation of Npm2 and Nap1 acidic disordered regions increases DNA mimicry and histone chaperone efficiency ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev iScience _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2024 _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 Benjamin Lorton . M. . . 52244 1 2 Christopher Warren . . . . 52244 1 3 Humaira Ilyas . . . . 52244 1 4 Prithviraj Nandigrami . . . . 52244 1 5 Subray Hegde . . . . 52244 1 6 Sean Cahill . . . . 52244 1 7 Stephanie Lehman . M. . . 52244 1 8 Jeffrey Shabanowitz . . . . 52244 1 9 Donald Hunt . F. . . 52244 1 10 Andras Fiser . . . . 52244 1 11 David Cowburn . . . . 52244 1 12 David Shechter . . . . 52244 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA replication' 52244 1 'Nap1, NAP1L1, Npm2, NASP, N1, TTLL4' 52244 1 'acidic stretch, acidic IDR, IDR' 52244 1 chromatin 52244 1 epigenetics 52244 1 farnesylation 52244 1 'glutamylation, glutamate-glutamyla-tion' 52244 1 'histone chaperone' 52244 1 'molecular dynamics, MD' 52244 1 'nuclear magnetic resonance, NMR' 52244 1 nucleosome 52244 1 nucleus 52244 1 polyelectrolyte 52244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52244 _Assembly.ID 1 _Assembly.Name 'Xenopus H2A/H2B Heterodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 27767 _Assembly.Enzyme_commission_number . _Assembly.Details 'H2A/H2B heterodimer' _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 H2A 1 $entity_1 . . yes native no no . . . 52244 1 2 H2B 2 $entity_2 . . yes native no no . . . 52244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52244 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SGRGKQGGKTRAKAKTRSSR AGLQFPVGRVHRLLRKGNYA ERVGAGAPVYLAAVLEYLTA EILELAGNAARDNKKTRIIP RHLQLAVRNDEELNKLLGRV TIAQGGVLPNIQSVLLPKKT ESSKSAKSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Uniprot accesion number for H2A used in this study: P06897' _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 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13950 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P06897 . H2A1_XENLA . . . . . . . . . . . . . . 52244 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 52244 1 2 . GLY . 52244 1 3 . ARG . 52244 1 4 . GLY . 52244 1 5 . LYS . 52244 1 6 . GLN . 52244 1 7 . GLY . 52244 1 8 . GLY . 52244 1 9 . LYS . 52244 1 10 . THR . 52244 1 11 . ARG . 52244 1 12 . ALA . 52244 1 13 . LYS . 52244 1 14 . ALA . 52244 1 15 . LYS . 52244 1 16 . THR . 52244 1 17 . ARG . 52244 1 18 . SER . 52244 1 19 . SER . 52244 1 20 . ARG . 52244 1 21 . ALA . 52244 1 22 . GLY . 52244 1 23 . LEU . 52244 1 24 . GLN . 52244 1 25 . PHE . 52244 1 26 . PRO . 52244 1 27 . VAL . 52244 1 28 . GLY . 52244 1 29 . ARG . 52244 1 30 . VAL . 52244 1 31 . HIS . 52244 1 32 . ARG . 52244 1 33 . LEU . 52244 1 34 . LEU . 52244 1 35 . ARG . 52244 1 36 . LYS . 52244 1 37 . GLY . 52244 1 38 . ASN . 52244 1 39 . TYR . 52244 1 40 . ALA . 52244 1 41 . GLU . 52244 1 42 . ARG . 52244 1 43 . VAL . 52244 1 44 . GLY . 52244 1 45 . ALA . 52244 1 46 . GLY . 52244 1 47 . ALA . 52244 1 48 . PRO . 52244 1 49 . VAL . 52244 1 50 . TYR . 52244 1 51 . LEU . 52244 1 52 . ALA . 52244 1 53 . ALA . 52244 1 54 . VAL . 52244 1 55 . LEU . 52244 1 56 . GLU . 52244 1 57 . TYR . 52244 1 58 . LEU . 52244 1 59 . THR . 52244 1 60 . ALA . 52244 1 61 . GLU . 52244 1 62 . ILE . 52244 1 63 . LEU . 52244 1 64 . GLU . 52244 1 65 . LEU . 52244 1 66 . ALA . 52244 1 67 . GLY . 52244 1 68 . ASN . 52244 1 69 . ALA . 52244 1 70 . ALA . 52244 1 71 . ARG . 52244 1 72 . ASP . 52244 1 73 . ASN . 52244 1 74 . LYS . 52244 1 75 . LYS . 52244 1 76 . THR . 52244 1 77 . ARG . 52244 1 78 . ILE . 52244 1 79 . ILE . 52244 1 80 . PRO . 52244 1 81 . ARG . 52244 1 82 . HIS . 52244 1 83 . LEU . 52244 1 84 . GLN . 52244 1 85 . LEU . 52244 1 86 . ALA . 52244 1 87 . VAL . 52244 1 88 . ARG . 52244 1 89 . ASN . 52244 1 90 . ASP . 52244 1 91 . GLU . 52244 1 92 . GLU . 52244 1 93 . LEU . 52244 1 94 . ASN . 52244 1 95 . LYS . 52244 1 96 . LEU . 52244 1 97 . LEU . 52244 1 98 . GLY . 52244 1 99 . ARG . 52244 1 100 . VAL . 52244 1 101 . THR . 52244 1 102 . ILE . 52244 1 103 . ALA . 52244 1 104 . GLN . 52244 1 105 . GLY . 52244 1 106 . GLY . 52244 1 107 . VAL . 52244 1 108 . LEU . 52244 1 109 . PRO . 52244 1 110 . ASN . 52244 1 111 . ILE . 52244 1 112 . GLN . 52244 1 113 . SER . 52244 1 114 . VAL . 52244 1 115 . LEU . 52244 1 116 . LEU . 52244 1 117 . PRO . 52244 1 118 . LYS . 52244 1 119 . LYS . 52244 1 120 . THR . 52244 1 121 . GLU . 52244 1 122 . SER . 52244 1 123 . SER . 52244 1 124 . LYS . 52244 1 125 . SER . 52244 1 126 . ALA . 52244 1 127 . LYS . 52244 1 128 . SER . 52244 1 129 . LYS . 52244 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 52244 1 . GLY 2 2 52244 1 . ARG 3 3 52244 1 . GLY 4 4 52244 1 . LYS 5 5 52244 1 . GLN 6 6 52244 1 . GLY 7 7 52244 1 . GLY 8 8 52244 1 . LYS 9 9 52244 1 . THR 10 10 52244 1 . ARG 11 11 52244 1 . ALA 12 12 52244 1 . LYS 13 13 52244 1 . ALA 14 14 52244 1 . LYS 15 15 52244 1 . THR 16 16 52244 1 . ARG 17 17 52244 1 . SER 18 18 52244 1 . SER 19 19 52244 1 . ARG 20 20 52244 1 . ALA 21 21 52244 1 . GLY 22 22 52244 1 . LEU 23 23 52244 1 . GLN 24 24 52244 1 . PHE 25 25 52244 1 . PRO 26 26 52244 1 . VAL 27 27 52244 1 . GLY 28 28 52244 1 . ARG 29 29 52244 1 . VAL 30 30 52244 1 . HIS 31 31 52244 1 . ARG 32 32 52244 1 . LEU 33 33 52244 1 . LEU 34 34 52244 1 . ARG 35 35 52244 1 . LYS 36 36 52244 1 . GLY 37 37 52244 1 . ASN 38 38 52244 1 . TYR 39 39 52244 1 . ALA 40 40 52244 1 . GLU 41 41 52244 1 . ARG 42 42 52244 1 . VAL 43 43 52244 1 . GLY 44 44 52244 1 . ALA 45 45 52244 1 . GLY 46 46 52244 1 . ALA 47 47 52244 1 . PRO 48 48 52244 1 . VAL 49 49 52244 1 . TYR 50 50 52244 1 . LEU 51 51 52244 1 . ALA 52 52 52244 1 . ALA 53 53 52244 1 . VAL 54 54 52244 1 . LEU 55 55 52244 1 . GLU 56 56 52244 1 . TYR 57 57 52244 1 . LEU 58 58 52244 1 . THR 59 59 52244 1 . ALA 60 60 52244 1 . GLU 61 61 52244 1 . ILE 62 62 52244 1 . LEU 63 63 52244 1 . GLU 64 64 52244 1 . LEU 65 65 52244 1 . ALA 66 66 52244 1 . GLY 67 67 52244 1 . ASN 68 68 52244 1 . ALA 69 69 52244 1 . ALA 70 70 52244 1 . ARG 71 71 52244 1 . ASP 72 72 52244 1 . ASN 73 73 52244 1 . LYS 74 74 52244 1 . LYS 75 75 52244 1 . THR 76 76 52244 1 . ARG 77 77 52244 1 . ILE 78 78 52244 1 . ILE 79 79 52244 1 . PRO 80 80 52244 1 . ARG 81 81 52244 1 . HIS 82 82 52244 1 . LEU 83 83 52244 1 . GLN 84 84 52244 1 . LEU 85 85 52244 1 . ALA 86 86 52244 1 . VAL 87 87 52244 1 . ARG 88 88 52244 1 . ASN 89 89 52244 1 . ASP 90 90 52244 1 . GLU 91 91 52244 1 . GLU 92 92 52244 1 . LEU 93 93 52244 1 . ASN 94 94 52244 1 . LYS 95 95 52244 1 . LEU 96 96 52244 1 . LEU 97 97 52244 1 . GLY 98 98 52244 1 . ARG 99 99 52244 1 . VAL 100 100 52244 1 . THR 101 101 52244 1 . ILE 102 102 52244 1 . ALA 103 103 52244 1 . GLN 104 104 52244 1 . GLY 105 105 52244 1 . GLY 106 106 52244 1 . VAL 107 107 52244 1 . LEU 108 108 52244 1 . PRO 109 109 52244 1 . ASN 110 110 52244 1 . ILE 111 111 52244 1 . GLN 112 112 52244 1 . SER 113 113 52244 1 . VAL 114 114 52244 1 . LEU 115 115 52244 1 . LEU 116 116 52244 1 . PRO 117 117 52244 1 . LYS 118 118 52244 1 . LYS 119 119 52244 1 . THR 120 120 52244 1 . GLU 121 121 52244 1 . SER 122 122 52244 1 . SER 123 123 52244 1 . LYS 124 124 52244 1 . SER 125 125 52244 1 . ALA 126 126 52244 1 . LYS 127 127 52244 1 . SER 128 128 52244 1 . LYS 129 129 52244 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52244 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PEPAKSAPAPKKGSKKAVTK TQKKDGKKRRKTRKESYAIY VYKVLKQVHPDTGISSKAMS IMNSFVNDVFERIAGEASRL AHYNKRSTITSREIQTAVRL LLPGELAKHAVSEGTKAVTK YTSAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Uniprot accesion number for H2B used in this study: P02281' _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13817 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P02281 . H2B11_XENLA . . . . . . . . . . . . . . 52244 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PRO . 52244 2 2 . GLU . 52244 2 3 . PRO . 52244 2 4 . ALA . 52244 2 5 . LYS . 52244 2 6 . SER . 52244 2 7 . ALA . 52244 2 8 . PRO . 52244 2 9 . ALA . 52244 2 10 . PRO . 52244 2 11 . LYS . 52244 2 12 . LYS . 52244 2 13 . GLY . 52244 2 14 . SER . 52244 2 15 . LYS . 52244 2 16 . LYS . 52244 2 17 . ALA . 52244 2 18 . VAL . 52244 2 19 . THR . 52244 2 20 . LYS . 52244 2 21 . THR . 52244 2 22 . GLN . 52244 2 23 . LYS . 52244 2 24 . LYS . 52244 2 25 . ASP . 52244 2 26 . GLY . 52244 2 27 . LYS . 52244 2 28 . LYS . 52244 2 29 . ARG . 52244 2 30 . ARG . 52244 2 31 . LYS . 52244 2 32 . THR . 52244 2 33 . ARG . 52244 2 34 . LYS . 52244 2 35 . GLU . 52244 2 36 . SER . 52244 2 37 . TYR . 52244 2 38 . ALA . 52244 2 39 . ILE . 52244 2 40 . TYR . 52244 2 41 . VAL . 52244 2 42 . TYR . 52244 2 43 . LYS . 52244 2 44 . VAL . 52244 2 45 . LEU . 52244 2 46 . LYS . 52244 2 47 . GLN . 52244 2 48 . VAL . 52244 2 49 . HIS . 52244 2 50 . PRO . 52244 2 51 . ASP . 52244 2 52 . THR . 52244 2 53 . GLY . 52244 2 54 . ILE . 52244 2 55 . SER . 52244 2 56 . SER . 52244 2 57 . LYS . 52244 2 58 . ALA . 52244 2 59 . MET . 52244 2 60 . SER . 52244 2 61 . ILE . 52244 2 62 . MET . 52244 2 63 . ASN . 52244 2 64 . SER . 52244 2 65 . PHE . 52244 2 66 . VAL . 52244 2 67 . ASN . 52244 2 68 . ASP . 52244 2 69 . VAL . 52244 2 70 . PHE . 52244 2 71 . GLU . 52244 2 72 . ARG . 52244 2 73 . ILE . 52244 2 74 . ALA . 52244 2 75 . GLY . 52244 2 76 . GLU . 52244 2 77 . ALA . 52244 2 78 . SER . 52244 2 79 . ARG . 52244 2 80 . LEU . 52244 2 81 . ALA . 52244 2 82 . HIS . 52244 2 83 . TYR . 52244 2 84 . ASN . 52244 2 85 . LYS . 52244 2 86 . ARG . 52244 2 87 . SER . 52244 2 88 . THR . 52244 2 89 . ILE . 52244 2 90 . THR . 52244 2 91 . SER . 52244 2 92 . ARG . 52244 2 93 . GLU . 52244 2 94 . ILE . 52244 2 95 . GLN . 52244 2 96 . THR . 52244 2 97 . ALA . 52244 2 98 . VAL . 52244 2 99 . ARG . 52244 2 100 . LEU . 52244 2 101 . LEU . 52244 2 102 . LEU . 52244 2 103 . PRO . 52244 2 104 . GLY . 52244 2 105 . GLU . 52244 2 106 . LEU . 52244 2 107 . ALA . 52244 2 108 . LYS . 52244 2 109 . HIS . 52244 2 110 . ALA . 52244 2 111 . VAL . 52244 2 112 . SER . 52244 2 113 . GLU . 52244 2 114 . GLY . 52244 2 115 . THR . 52244 2 116 . LYS . 52244 2 117 . ALA . 52244 2 118 . VAL . 52244 2 119 . THR . 52244 2 120 . LYS . 52244 2 121 . TYR . 52244 2 122 . THR . 52244 2 123 . SER . 52244 2 124 . ALA . 52244 2 125 . LYS . 52244 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 . PRO 1 1 52244 2 . GLU 2 2 52244 2 . PRO 3 3 52244 2 . ALA 4 4 52244 2 . LYS 5 5 52244 2 . SER 6 6 52244 2 . ALA 7 7 52244 2 . PRO 8 8 52244 2 . ALA 9 9 52244 2 . PRO 10 10 52244 2 . LYS 11 11 52244 2 . LYS 12 12 52244 2 . GLY 13 13 52244 2 . SER 14 14 52244 2 . LYS 15 15 52244 2 . LYS 16 16 52244 2 . ALA 17 17 52244 2 . VAL 18 18 52244 2 . THR 19 19 52244 2 . LYS 20 20 52244 2 . THR 21 21 52244 2 . GLN 22 22 52244 2 . LYS 23 23 52244 2 . LYS 24 24 52244 2 . ASP 25 25 52244 2 . GLY 26 26 52244 2 . LYS 27 27 52244 2 . LYS 28 28 52244 2 . ARG 29 29 52244 2 . ARG 30 30 52244 2 . LYS 31 31 52244 2 . THR 32 32 52244 2 . ARG 33 33 52244 2 . LYS 34 34 52244 2 . GLU 35 35 52244 2 . SER 36 36 52244 2 . TYR 37 37 52244 2 . ALA 38 38 52244 2 . ILE 39 39 52244 2 . TYR 40 40 52244 2 . VAL 41 41 52244 2 . TYR 42 42 52244 2 . LYS 43 43 52244 2 . VAL 44 44 52244 2 . LEU 45 45 52244 2 . LYS 46 46 52244 2 . GLN 47 47 52244 2 . VAL 48 48 52244 2 . HIS 49 49 52244 2 . PRO 50 50 52244 2 . ASP 51 51 52244 2 . THR 52 52 52244 2 . GLY 53 53 52244 2 . ILE 54 54 52244 2 . SER 55 55 52244 2 . SER 56 56 52244 2 . LYS 57 57 52244 2 . ALA 58 58 52244 2 . MET 59 59 52244 2 . SER 60 60 52244 2 . ILE 61 61 52244 2 . MET 62 62 52244 2 . ASN 63 63 52244 2 . SER 64 64 52244 2 . PHE 65 65 52244 2 . VAL 66 66 52244 2 . ASN 67 67 52244 2 . ASP 68 68 52244 2 . VAL 69 69 52244 2 . PHE 70 70 52244 2 . GLU 71 71 52244 2 . ARG 72 72 52244 2 . ILE 73 73 52244 2 . ALA 74 74 52244 2 . GLY 75 75 52244 2 . GLU 76 76 52244 2 . ALA 77 77 52244 2 . SER 78 78 52244 2 . ARG 79 79 52244 2 . LEU 80 80 52244 2 . ALA 81 81 52244 2 . HIS 82 82 52244 2 . TYR 83 83 52244 2 . ASN 84 84 52244 2 . LYS 85 85 52244 2 . ARG 86 86 52244 2 . SER 87 87 52244 2 . THR 88 88 52244 2 . ILE 89 89 52244 2 . THR 90 90 52244 2 . SER 91 91 52244 2 . ARG 92 92 52244 2 . GLU 93 93 52244 2 . ILE 94 94 52244 2 . GLN 95 95 52244 2 . THR 96 96 52244 2 . ALA 97 97 52244 2 . VAL 98 98 52244 2 . ARG 99 99 52244 2 . LEU 100 100 52244 2 . LEU 101 101 52244 2 . LEU 102 102 52244 2 . PRO 103 103 52244 2 . GLY 104 104 52244 2 . GLU 105 105 52244 2 . LEU 106 106 52244 2 . ALA 107 107 52244 2 . LYS 108 108 52244 2 . HIS 109 109 52244 2 . ALA 110 110 52244 2 . VAL 111 111 52244 2 . SER 112 112 52244 2 . GLU 113 113 52244 2 . GLY 114 114 52244 2 . THR 115 115 52244 2 . LYS 116 116 52244 2 . ALA 117 117 52244 2 . VAL 118 118 52244 2 . THR 119 119 52244 2 . LYS 120 120 52244 2 . TYR 121 121 52244 2 . THR 122 122 52244 2 . SER 123 123 52244 2 . ALA 124 124 52244 2 . LYS 125 125 52244 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52244 _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 . 8355 organism . 'Xenopus laevis' 'African clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . . . . . . . 52244 1 2 2 $entity_2 . 8355 organism . 'Xenopus laevis' 'African clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . . . . . . . 52244 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52244 _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' . . . Escherichia coli . . . plasmid . . 'pET-histone expression plasmid' . . . 52244 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pET-histone expression plasmid' . . . 52244 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52244 _Sample.ID 1 _Sample.Name '[2H/13C/15N]- H2A/H2B' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6mM of [2H/13C/15N]- H2A/[ul]-H2B in 25mM Na2PO4 pH 7.0, 150mM NaCl, 1mM EDTA, 0.05mM TSP' _Sample.Aggregate_sample_number 1 _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 'H2A of the Xenopus H2A/H2B heterodimer' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.6 . . mM . . . . 52244 1 2 'H2B of the Xenopus H2A/H2B heterodimer' 'natural abundance' . . 2 $entity_2 . . 0.6 . . mM . . . . 52244 1 3 Na2PO4 'natural abundance' . . . . . . 25 . . mM . . . . 52244 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52244 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 52244 1 6 TSP 'natural abundance' . . . . . . 0.05 . . mM . . . . 52244 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52244 _Sample.ID 2 _Sample.Name H2A/[2H/13C/15N]-H2B _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6mM of [ul]- H2A/[2H/13C/15N]-H2B in 25mM Na2PO4 pH 7.0, 150mM NaCl, 1mM EDTA, 0.05mM TSP' _Sample.Aggregate_sample_number 1 _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 'H2A of the Xenopus H2A/H2B heterodimer' 'natural abundance' . . 1 $entity_1 . . 0.6 . . mM . . . . 52244 2 2 'H2B of the Xenopus H2A/H2B heterodimer' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 2 $entity_2 . . 0.6 . . mM . . . . 52244 2 3 Na2PO4 'natural abundance' . . . . . . 25 . . mM . . . . 52244 2 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52244 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 52244 2 6 TSP 'natural abundance' . . . . . . 0.05 . . mM . . . . 52244 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52244 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard condition' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.025 . M 52244 1 pH 7.0 . pH 52244 1 pressure 1 . atm 52244 1 temperature 298 . K 52244 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52244 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 'v 3.6' _Software.DOI . _Software.Details 'Bruker BioSpin' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52244 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52244 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: A Multidimensional spectral processing system based on UNIX pipes. Journal of Biomolecular NMR. 1995;6:277-93. doi: https://doi.org/10.1007/BF00197809. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52244 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52244 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details ; Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, et al. The CCPN data model for NMR spectroscopy: Development of a software pipeline. Proteins: Structure, Function, and Bioinformatics. 2005;59(4):687-96. doi: https://doi.org/10.1002/prot.20449. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52244 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52244 _Software.ID 4 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details ; Maciejewski MW, Schuyler AD, Gryk MR, Moraru II, Romero PR, Ulrich EL, et al. NMRbox: A Resource for Biomolecular NMR Computation. Biophys J. 2017;112(8):1529-34. doi: https://doi.org/10.1016/j.bpj.2017.03.011. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52244 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 52244 _Software.ID 5 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details ; Bahrami A, Assadi AH, Markley JL, Eghbalnia HR. Probabilistic Interaction Network of Evidence Algorithm and its Application to Complete Labeling of Peak Lists from Protein NMR Spectroscopy. PLOS Computational Biology. 2009;5(3):e1000307. doi: 10.1371/journal.pcbi.1000307. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52244 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Einstein Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52244 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'NYSBC Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52244 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'NYSBC Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52244 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52244 1 2 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52244 1 3 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52244 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52244 1 7 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52244 1 8 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52244 1 9 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 10 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52244 1 11 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 12 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52244 1 13 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52244 1 14 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 15 '3D HNCO' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52244 1 16 '3D HNCO' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 17 '3D HN(CA)CO' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 18 '3D HN(CO)CA' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52244 1 19 '3D HN(CO)CA' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 20 '3D HNCA' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 21 '3D HN(CO)CACB' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52244 1 22 '3D HNCACB' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52244 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52244 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chem shift reference 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 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 52244 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52244 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 52244 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'H2A Chemical Shifts' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52244 1 2 '2D 1H-15N TROSY' . . . 52244 1 3 '2D 1H-15N TROSY' . . . 52244 1 4 '3D HNCO' . . . 52244 1 5 '3D HNCO' . . . 52244 1 6 '3D HN(CA)CO' . . . 52244 1 7 '3D HNCA' . . . 52244 1 8 '3D HN(CO)CA' . . . 52244 1 9 '3D HNCACB' . . . 52244 1 10 '3D HN(CO)CACB' . . . 52244 1 11 '3D HN(CO)CACB' . . . 52244 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52244 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ARG C C 13 177.140000 0 . . . . . . . 3 ARG CO . 52244 1 2 . 1 . 1 4 4 GLY H H 1 8.509710 0 . . . . . . . 4 GLY HN . 52244 1 3 . 1 . 1 4 4 GLY C C 13 174.330000 0 . . . . . . . 4 GLY CO . 52244 1 4 . 1 . 1 4 4 GLY CA C 13 45.250000 0 . . . . . . . 4 GLY CA . 52244 1 5 . 1 . 1 4 4 GLY N N 15 110.360390 0 . . . . . . . 4 GLY N . 52244 1 6 . 1 . 1 5 5 LYS H H 1 8.250240 0 . . . . . . . 5 LYS HN . 52244 1 7 . 1 . 1 5 5 LYS C C 13 177.010000 0 . . . . . . . 5 LYS CO . 52244 1 8 . 1 . 1 5 5 LYS CA C 13 56.510000 0 . . . . . . . 5 LYS CA . 52244 1 9 . 1 . 1 5 5 LYS N N 15 121.331150 0 . . . . . . . 5 LYS N . 52244 1 10 . 1 . 1 6 6 GLN H H 1 8.483920 0 . . . . . . . 6 GLN HN . 52244 1 11 . 1 . 1 6 6 GLN C C 13 173.660000 0 . . . . . . . 6 GLN CO . 52244 1 12 . 1 . 1 6 6 GLN CA C 13 56.020000 0 . . . . . . . 6 GLN CA . 52244 1 13 . 1 . 1 6 6 GLN N N 15 121.675380 0 . . . . . . . 6 GLN N . 52244 1 14 . 1 . 1 7 7 GLY H H 1 8.421980 0 . . . . . . . 7 GLY HN . 52244 1 15 . 1 . 1 7 7 GLY C C 13 174.790000 0 . . . . . . . 7 GLY CO . 52244 1 16 . 1 . 1 7 7 GLY N N 15 110.583200 0 . . . . . . . 7 GLY N . 52244 1 17 . 1 . 1 8 8 GLY H H 1 8.275400 0 . . . . . . . 8 GLY HN . 52244 1 18 . 1 . 1 8 8 GLY CA C 13 45.330000 0 . . . . . . . 8 GLY CA . 52244 1 19 . 1 . 1 8 8 GLY N N 15 109.096220 0 . . . . . . . 8 GLY N . 52244 1 20 . 1 . 1 11 11 ARG C C 13 176.120230 0 . . . . . . . 11 ARG CO . 52244 1 21 . 1 . 1 11 11 ARG CA C 13 55.790000 0 . . . . . . . 11 ARG CA . 52244 1 22 . 1 . 1 12 12 ALA H H 1 8.312440 0 . . . . . . . 12 ALA HN . 52244 1 23 . 1 . 1 12 12 ALA C C 13 177.721520 0 . . . . . . . 12 ALA CO . 52244 1 24 . 1 . 1 12 12 ALA CA C 13 52.296380 0 . . . . . . . 12 ALA CA . 52244 1 25 . 1 . 1 12 12 ALA CB C 13 18.360000 0 . . . . . . . 12 ALA CB . 52244 1 26 . 1 . 1 12 12 ALA N N 15 125.741680 0 . . . . . . . 12 ALA N . 52244 1 27 . 1 . 1 13 13 LYS H H 1 8.192090 0 . . . . . . . 13 LYS HN . 52244 1 28 . 1 . 1 13 13 LYS C C 13 176.597080 0 . . . . . . . 13 LYS CO . 52244 1 29 . 1 . 1 13 13 LYS CA C 13 55.790000 0 . . . . . . . 13 LYS CA . 52244 1 30 . 1 . 1 13 13 LYS N N 15 120.569860 0 . . . . . . . 13 LYS N . 52244 1 31 . 1 . 1 14 14 ALA H H 1 8.351200 0 . . . . . . . 14 ALA HN . 52244 1 32 . 1 . 1 14 14 ALA C C 13 177.973470 0 . . . . . . . 14 ALA CO . 52244 1 33 . 1 . 1 14 14 ALA CA C 13 52.326530 0 . . . . . . . 14 ALA CA . 52244 1 34 . 1 . 1 14 14 ALA N N 15 125.522770 0 . . . . . . . 14 ALA N . 52244 1 35 . 1 . 1 15 15 LYS H H 1 8.326430 0 . . . . . . . 15 LYS HN . 52244 1 36 . 1 . 1 15 15 LYS C C 13 177.000000 0 . . . . . . . 15 LYS CO . 52244 1 37 . 1 . 1 15 15 LYS CA C 13 56.090100 0 . . . . . . . 15 LYS CA . 52244 1 38 . 1 . 1 15 15 LYS N N 15 120.823660 0 . . . . . . . 15 LYS N . 52244 1 39 . 1 . 1 16 16 THR H H 1 8.089870 0 . . . . . . . 16 THR HN . 52244 1 40 . 1 . 1 16 16 THR C C 13 176.180000 0 . . . . . . . 16 THR CO . 52244 1 41 . 1 . 1 16 16 THR CA C 13 61.780000 0 . . . . . . . 16 THR CA . 52244 1 42 . 1 . 1 16 16 THR N N 15 115.246090 0 . . . . . . . 16 THR N . 52244 1 43 . 1 . 1 17 17 ARG H H 1 8.574000 0 . . . . . . . 17 ARG HN . 52244 1 44 . 1 . 1 17 17 ARG C C 13 176.770000 0 . . . . . . . 17 ARG CO . 52244 1 45 . 1 . 1 17 17 ARG CA C 13 56.300000 0 . . . . . . . 17 ARG CA . 52244 1 46 . 1 . 1 17 17 ARG CB C 13 32.170000 0 . . . . . . . 17 ARG CB . 52244 1 47 . 1 . 1 17 17 ARG N N 15 121.780000 0 . . . . . . . 17 ARG N . 52244 1 48 . 1 . 1 21 21 ALA C C 13 177.568810 0 . . . . . . . 21 ALA CO . 52244 1 49 . 1 . 1 21 21 ALA CA C 13 52.200000 0 . . . . . . . 21 ALA CA . 52244 1 50 . 1 . 1 22 22 GLY H H 1 7.970720 0 . . . . . . . 22 GLY HN . 52244 1 51 . 1 . 1 22 22 GLY C C 13 173.537830 0 . . . . . . . 22 GLY CO . 52244 1 52 . 1 . 1 22 22 GLY CA C 13 44.297500 0 . . . . . . . 22 GLY CA . 52244 1 53 . 1 . 1 22 22 GLY N N 15 107.609760 0 . . . . . . . 22 GLY N . 52244 1 54 . 1 . 1 23 23 LEU H H 1 8.023150 0 . . . . . . . 23 LEU HN . 52244 1 55 . 1 . 1 23 23 LEU C C 13 175.688310 0 . . . . . . . 23 LEU CO . 52244 1 56 . 1 . 1 23 23 LEU CA C 13 54.965450 0 . . . . . . . 23 LEU CA . 52244 1 57 . 1 . 1 23 23 LEU CB C 13 41.574780 0 . . . . . . . 23 LEU CB . 52244 1 58 . 1 . 1 23 23 LEU N N 15 121.739220 0 . . . . . . . 23 LEU N . 52244 1 59 . 1 . 1 24 24 GLN H H 1 7.764230 0 . . . . . . . 24 GLN HN . 52244 1 60 . 1 . 1 24 24 GLN C C 13 175.510000 0 . . . . . . . 24 GLN CO . 52244 1 61 . 1 . 1 24 24 GLN CA C 13 51.904660 0 . . . . . . . 24 GLN CA . 52244 1 62 . 1 . 1 24 24 GLN N N 15 122.223510 0 . . . . . . . 24 GLN N . 52244 1 63 . 1 . 1 26 26 PRO C C 13 176.256320 0 . . . . . . . 26 PRO CO . 52244 1 64 . 1 . 1 26 26 PRO CA C 13 61.526150 0 . . . . . . . 26 PRO CA . 52244 1 65 . 1 . 1 26 26 PRO CB C 13 30.180000 0 . . . . . . . 26 PRO CB . 52244 1 66 . 1 . 1 27 27 VAL H H 1 8.205320 0 . . . . . . . 27 VAL HN . 52244 1 67 . 1 . 1 27 27 VAL C C 13 177.510000 0 . . . . . . . 27 VAL CO . 52244 1 68 . 1 . 1 27 27 VAL CA C 13 66.542950 0 . . . . . . . 27 VAL CA . 52244 1 69 . 1 . 1 27 27 VAL CB C 13 30.787090 0 . . . . . . . 27 VAL CB . 52244 1 70 . 1 . 1 27 27 VAL N N 15 128.228220 0 . . . . . . . 27 VAL N . 52244 1 71 . 1 . 1 28 28 GLY H H 1 8.774060 0 . . . . . . . 28 GLY HN . 52244 1 72 . 1 . 1 28 28 GLY C C 13 177.369930 0 . . . . . . . 28 GLY CO . 52244 1 73 . 1 . 1 28 28 GLY N N 15 107.177950 0 . . . . . . . 28 GLY N . 52244 1 74 . 1 . 1 29 29 ARG H H 1 7.270080 0 . . . . . . . 29 ARG HN . 52244 1 75 . 1 . 1 29 29 ARG CB C 13 28.640000 0 . . . . . . . 29 ARG CB . 52244 1 76 . 1 . 1 29 29 ARG N N 15 121.766310 0 . . . . . . . 29 ARG N . 52244 1 77 . 1 . 1 30 30 VAL H H 1 7.800180 0 . . . . . . . 30 VAL HN . 52244 1 78 . 1 . 1 30 30 VAL C C 13 177.497360 0 . . . . . . . 30 VAL CO . 52244 1 79 . 1 . 1 30 30 VAL CA C 13 66.706880 0 . . . . . . . 30 VAL CA . 52244 1 80 . 1 . 1 30 30 VAL CB C 13 30.220000 0 . . . . . . . 30 VAL CB . 52244 1 81 . 1 . 1 30 30 VAL N N 15 119.850700 0 . . . . . . . 30 VAL N . 52244 1 82 . 1 . 1 31 31 HIS H H 1 8.793400 0 . . . . . . . 31 HIS HN . 52244 1 83 . 1 . 1 31 31 HIS C C 13 177.406980 0 . . . . . . . 31 HIS CO . 52244 1 84 . 1 . 1 31 31 HIS CA C 13 59.300350 0 . . . . . . . 31 HIS CA . 52244 1 85 . 1 . 1 31 31 HIS CB C 13 30.775490 0 . . . . . . . 31 HIS CB . 52244 1 86 . 1 . 1 31 31 HIS N N 15 120.268580 0 . . . . . . . 31 HIS N . 52244 1 87 . 1 . 1 32 32 ARG H H 1 8.001900 0 . . . . . . . 32 ARG HN . 52244 1 88 . 1 . 1 32 32 ARG C C 13 181.290140 0 . . . . . . . 32 ARG CO . 52244 1 89 . 1 . 1 32 32 ARG CA C 13 59.269350 0 . . . . . . . 32 ARG CA . 52244 1 90 . 1 . 1 32 32 ARG CB C 13 28.760150 0 . . . . . . . 32 ARG CB . 52244 1 91 . 1 . 1 32 32 ARG N N 15 118.859920 0 . . . . . . . 32 ARG N . 52244 1 92 . 1 . 1 33 33 LEU H H 1 8.444290 0 . . . . . . . 33 LEU HN . 52244 1 93 . 1 . 1 33 33 LEU C C 13 178.796540 0 . . . . . . . 33 LEU CO . 52244 1 94 . 1 . 1 33 33 LEU CA C 13 57.353270 0 . . . . . . . 33 LEU CA . 52244 1 95 . 1 . 1 33 33 LEU CB C 13 41.970000 0 . . . . . . . 33 LEU CB . 52244 1 96 . 1 . 1 33 33 LEU N N 15 119.688980 0 . . . . . . . 33 LEU N . 52244 1 97 . 1 . 1 34 34 LEU H H 1 8.426360 0 . . . . . . . 34 LEU HN . 52244 1 98 . 1 . 1 34 34 LEU C C 13 178.975000 0 . . . . . . . 34 LEU CO . 52244 1 99 . 1 . 1 34 34 LEU CA C 13 57.592710 0 . . . . . . . 34 LEU CA . 52244 1 100 . 1 . 1 34 34 LEU CB C 13 41.400000 0 . . . . . . . 34 LEU CB . 52244 1 101 . 1 . 1 34 34 LEU N N 15 119.747530 0 . . . . . . . 34 LEU N . 52244 1 102 . 1 . 1 35 35 ARG H H 1 8.142320 0 . . . . . . . 35 ARG HN . 52244 1 103 . 1 . 1 35 35 ARG C C 13 179.494510 0 . . . . . . . 35 ARG CO . 52244 1 104 . 1 . 1 35 35 ARG CA C 13 58.502280 0 . . . . . . . 35 ARG CA . 52244 1 105 . 1 . 1 35 35 ARG CB C 13 29.421230 0 . . . . . . . 35 ARG CB . 52244 1 106 . 1 . 1 35 35 ARG N N 15 118.416550 0 . . . . . . . 35 ARG N . 52244 1 107 . 1 . 1 36 36 LYS H H 1 8.767860 0 . . . . . . . 36 LYS HN . 52244 1 108 . 1 . 1 36 36 LYS C C 13 177.956190 0 . . . . . . . 36 LYS CO . 52244 1 109 . 1 . 1 36 36 LYS CA C 13 57.312030 0 . . . . . . . 36 LYS CA . 52244 1 110 . 1 . 1 36 36 LYS CB C 13 31.440000 0 . . . . . . . 36 LYS CB . 52244 1 111 . 1 . 1 36 36 LYS N N 15 119.711750 0 . . . . . . . 36 LYS N . 52244 1 112 . 1 . 1 37 37 GLY H H 1 7.531920 0 . . . . . . . 37 GLY HN . 52244 1 113 . 1 . 1 37 37 GLY C C 13 172.911490 0 . . . . . . . 37 GLY CO . 52244 1 114 . 1 . 1 37 37 GLY CA C 13 44.949870 0 . . . . . . . 37 GLY CA . 52244 1 115 . 1 . 1 37 37 GLY N N 15 103.980320 0 . . . . . . . 37 GLY N . 52244 1 116 . 1 . 1 38 38 ASN H H 1 7.849530 0 . . . . . . . 38 ASN HN . 52244 1 117 . 1 . 1 38 38 ASN C C 13 174.666080 0 . . . . . . . 38 ASN CO . 52244 1 118 . 1 . 1 38 38 ASN CA C 13 53.729340 0 . . . . . . . 38 ASN CA . 52244 1 119 . 1 . 1 38 38 ASN CB C 13 36.280000 0 . . . . . . . 38 ASN CB . 52244 1 120 . 1 . 1 38 38 ASN N N 15 115.301890 0 . . . . . . . 38 ASN N . 52244 1 121 . 1 . 1 39 39 TYR H H 1 7.968490 0 . . . . . . . 39 TYR HN . 52244 1 122 . 1 . 1 39 39 TYR C C 13 176.346860 0 . . . . . . . 39 TYR CO . 52244 1 123 . 1 . 1 39 39 TYR CA C 13 59.761190 0 . . . . . . . 39 TYR CA . 52244 1 124 . 1 . 1 39 39 TYR CB C 13 38.222060 0 . . . . . . . 39 TYR CB . 52244 1 125 . 1 . 1 39 39 TYR N N 15 117.364560 0 . . . . . . . 39 TYR N . 52244 1 126 . 1 . 1 40 40 ALA H H 1 8.080130 0 . . . . . . . 40 ALA HN . 52244 1 127 . 1 . 1 40 40 ALA C C 13 175.740490 0 . . . . . . . 40 ALA CO . 52244 1 128 . 1 . 1 40 40 ALA CA C 13 51.302530 0 . . . . . . . 40 ALA CA . 52244 1 129 . 1 . 1 40 40 ALA CB C 13 20.849280 0 . . . . . . . 40 ALA CB . 52244 1 130 . 1 . 1 40 40 ALA N N 15 118.968720 0 . . . . . . . 40 ALA N . 52244 1 131 . 1 . 1 41 41 GLU H H 1 8.494940 0 . . . . . . . 41 GLU HN . 52244 1 132 . 1 . 1 41 41 GLU C C 13 177.058260 0 . . . . . . . 41 GLU CO . 52244 1 133 . 1 . 1 41 41 GLU CA C 13 58.750700 0 . . . . . . . 41 GLU CA . 52244 1 134 . 1 . 1 41 41 GLU CB C 13 29.450000 0 . . . . . . . 41 GLU CB . 52244 1 135 . 1 . 1 41 41 GLU N N 15 120.518360 0 . . . . . . . 41 GLU N . 52244 1 136 . 1 . 1 42 42 ARG H H 1 7.982420 0 . . . . . . . 42 ARG HN . 52244 1 137 . 1 . 1 42 42 ARG C C 13 174.203380 0 . . . . . . . 42 ARG CO . 52244 1 138 . 1 . 1 42 42 ARG CA C 13 54.209000 0 . . . . . . . 42 ARG CA . 52244 1 139 . 1 . 1 42 42 ARG CB C 13 32.762350 0 . . . . . . . 42 ARG CB . 52244 1 140 . 1 . 1 42 42 ARG N N 15 115.668770 0 . . . . . . . 42 ARG N . 52244 1 141 . 1 . 1 43 43 VAL H H 1 8.600030 0 . . . . . . . 43 VAL HN . 52244 1 142 . 1 . 1 43 43 VAL C C 13 176.442100 0 . . . . . . . 43 VAL CO . 52244 1 143 . 1 . 1 43 43 VAL CA C 13 60.503370 0 . . . . . . . 43 VAL CA . 52244 1 144 . 1 . 1 43 43 VAL CB C 13 33.323820 0 . . . . . . . 43 VAL CB . 52244 1 145 . 1 . 1 43 43 VAL N N 15 122.021570 0 . . . . . . . 43 VAL N . 52244 1 146 . 1 . 1 44 44 GLY H H 1 9.163290 0 . . . . . . . 44 GLY HN . 52244 1 147 . 1 . 1 44 44 GLY C C 13 174.246850 0 . . . . . . . 44 GLY CO . 52244 1 148 . 1 . 1 44 44 GLY CA C 13 45.055550 0 . . . . . . . 44 GLY CA . 52244 1 149 . 1 . 1 44 44 GLY N N 15 116.280980 0 . . . . . . . 44 GLY N . 52244 1 150 . 1 . 1 45 45 ALA H H 1 8.487320 0 . . . . . . . 45 ALA HN . 52244 1 151 . 1 . 1 45 45 ALA C C 13 179.268920 0 . . . . . . . 45 ALA CO . 52244 1 152 . 1 . 1 45 45 ALA CA C 13 54.547950 0 . . . . . . . 45 ALA CA . 52244 1 153 . 1 . 1 45 45 ALA CB C 13 18.300000 0 . . . . . . . 45 ALA CB . 52244 1 154 . 1 . 1 45 45 ALA N N 15 122.488880 0 . . . . . . . 45 ALA N . 52244 1 155 . 1 . 1 46 46 GLY H H 1 8.667620 0 . . . . . . . 46 GLY HN . 52244 1 156 . 1 . 1 46 46 GLY C C 13 175.450800 0 . . . . . . . 46 GLY CO . 52244 1 157 . 1 . 1 46 46 GLY CA C 13 45.30037344 0 . . . . . . . 46 GLY CA . 52244 1 158 . 1 . 1 46 46 GLY N N 15 105.347280 0 . . . . . . . 46 GLY N . 52244 1 159 . 1 . 1 47 47 ALA H H 1 7.470660 0 . . . . . . . 47 ALA HN . 52244 1 160 . 1 . 1 47 47 ALA C C 13 175.150000 0 . . . . . . . 47 ALA CO . 52244 1 161 . 1 . 1 47 47 ALA CA C 13 56.108930 0 . . . . . . . 47 ALA CA . 52244 1 162 . 1 . 1 47 47 ALA CB C 13 15.252590 0 . . . . . . . 47 ALA CB . 52244 1 163 . 1 . 1 47 47 ALA N N 15 124.338180 0 . . . . . . . 47 ALA N . 52244 1 164 . 1 . 1 48 48 PRO C C 13 177.293670 0 . . . . . . . 48 PRO CO . 52244 1 165 . 1 . 1 48 48 PRO CA C 13 64.670000 0 . . . . . . . 48 PRO CA . 52244 1 166 . 1 . 1 48 48 PRO CB C 13 30.720000 0 . . . . . . . 48 PRO CB . 52244 1 167 . 1 . 1 49 49 VAL H H 1 6.294230 0 . . . . . . . 49 VAL HN . 52244 1 168 . 1 . 1 49 49 VAL C C 13 176.217950 0 . . . . . . . 49 VAL CO . 52244 1 169 . 1 . 1 49 49 VAL CA C 13 65.264210 0 . . . . . . . 49 VAL CA . 52244 1 170 . 1 . 1 49 49 VAL CB C 13 30.745570 0 . . . . . . . 49 VAL CB . 52244 1 171 . 1 . 1 49 49 VAL N N 15 118.504450 0 . . . . . . . 49 VAL N . 52244 1 172 . 1 . 1 50 50 TYR H H 1 7.893740 0 . . . . . . . 50 TYR HN . 52244 1 173 . 1 . 1 50 50 TYR C C 13 178.801170 0 . . . . . . . 50 TYR CO . 52244 1 174 . 1 . 1 50 50 TYR CA C 13 60.037760 0 . . . . . . . 50 TYR CA . 52244 1 175 . 1 . 1 50 50 TYR CB C 13 37.660000 0 . . . . . . . 50 TYR CB . 52244 1 176 . 1 . 1 50 50 TYR N N 15 120.192120 0 . . . . . . . 50 TYR N . 52244 1 177 . 1 . 1 51 51 LEU H H 1 8.262690 0 . . . . . . . 51 LEU HN . 52244 1 178 . 1 . 1 51 51 LEU C C 13 177.792130 0 . . . . . . . 51 LEU CO . 52244 1 179 . 1 . 1 51 51 LEU CA C 13 57.538380 0 . . . . . . . 51 LEU CA . 52244 1 180 . 1 . 1 51 51 LEU CB C 13 41.177750 0 . . . . . . . 51 LEU CB . 52244 1 181 . 1 . 1 51 51 LEU N N 15 115.735210 0 . . . . . . . 51 LEU N . 52244 1 182 . 1 . 1 52 52 ALA H H 1 8.503660 0 . . . . . . . 52 ALA HN . 52244 1 183 . 1 . 1 52 52 ALA C C 13 178.520000 0 . . . . . . . 52 ALA CO . 52244 1 184 . 1 . 1 52 52 ALA CA C 13 55.794780 0 . . . . . . . 52 ALA CA . 52244 1 185 . 1 . 1 52 52 ALA CB C 13 17.568400 0 . . . . . . . 52 ALA CB . 52244 1 186 . 1 . 1 52 52 ALA N N 15 120.969410 0 . . . . . . . 52 ALA N . 52244 1 187 . 1 . 1 53 53 ALA H H 1 7.825690 0 . . . . . . . 53 ALA HN . 52244 1 188 . 1 . 1 53 53 ALA C C 13 180.714450 0 . . . . . . . 53 ALA CO . 52244 1 189 . 1 . 1 53 53 ALA CA C 13 54.545100 0 . . . . . . . 53 ALA CA . 52244 1 190 . 1 . 1 53 53 ALA CB C 13 18.099220 0 . . . . . . . 53 ALA CB . 52244 1 191 . 1 . 1 53 53 ALA N N 15 118.587080 0 . . . . . . . 53 ALA N . 52244 1 192 . 1 . 1 54 54 VAL H H 1 7.913690 0 . . . . . . . 54 VAL HN . 52244 1 193 . 1 . 1 54 54 VAL C C 13 177.262200 0 . . . . . . . 54 VAL CO . 52244 1 194 . 1 . 1 54 54 VAL CA C 13 66.825810 0 . . . . . . . 54 VAL CA . 52244 1 195 . 1 . 1 54 54 VAL CB C 13 30.780000 0 . . . . . . . 54 VAL CB . 52244 1 196 . 1 . 1 54 54 VAL N N 15 120.146760 0 . . . . . . . 54 VAL N . 52244 1 197 . 1 . 1 55 55 LEU H H 1 8.270830 0 . . . . . . . 55 LEU HN . 52244 1 198 . 1 . 1 55 55 LEU C C 13 179.294660 0 . . . . . . . 55 LEU CO . 52244 1 199 . 1 . 1 55 55 LEU CA C 13 57.330020 0 . . . . . . . 55 LEU CA . 52244 1 200 . 1 . 1 55 55 LEU CB C 13 40.019370 0 . . . . . . . 55 LEU CB . 52244 1 201 . 1 . 1 55 55 LEU N N 15 118.349590 0 . . . . . . . 55 LEU N . 52244 1 202 . 1 . 1 56 56 GLU H H 1 8.100940 0 . . . . . . . 56 GLU HN . 52244 1 203 . 1 . 1 56 56 GLU C C 13 176.896360 0 . . . . . . . 56 GLU CO . 52244 1 204 . 1 . 1 56 56 GLU CA C 13 59.748210 0 . . . . . . . 56 GLU CA . 52244 1 205 . 1 . 1 56 56 GLU N N 15 122.798200 0 . . . . . . . 56 GLU N . 52244 1 206 . 1 . 1 57 57 TYR H H 1 7.872200 0 . . . . . . . 57 TYR HN . 52244 1 207 . 1 . 1 57 57 TYR C C 13 176.700800 0 . . . . . . . 57 TYR CO . 52244 1 208 . 1 . 1 57 57 TYR CA C 13 60.469650 0 . . . . . . . 57 TYR CA . 52244 1 209 . 1 . 1 57 57 TYR CB C 13 37.220000 0 . . . . . . . 57 TYR CB . 52244 1 210 . 1 . 1 57 57 TYR N N 15 119.894880 0 . . . . . . . 57 TYR N . 52244 1 211 . 1 . 1 58 58 LEU H H 1 8.031770 0 . . . . . . . 58 LEU HN . 52244 1 212 . 1 . 1 58 58 LEU C C 13 178.260000 0 . . . . . . . 58 LEU CO . 52244 1 213 . 1 . 1 58 58 LEU CA C 13 57.083890 0 . . . . . . . 58 LEU CA . 52244 1 214 . 1 . 1 58 58 LEU CB C 13 41.509660 0 . . . . . . . 58 LEU CB . 52244 1 215 . 1 . 1 58 58 LEU N N 15 117.337630 0 . . . . . . . 58 LEU N . 52244 1 216 . 1 . 1 59 59 THR H H 1 7.748710 0 . . . . . . . 59 THR HN . 52244 1 217 . 1 . 1 59 59 THR C C 13 175.414900 0 . . . . . . . 59 THR CO . 52244 1 218 . 1 . 1 59 59 THR N N 15 115.055400 0 . . . . . . . 59 THR N . 52244 1 219 . 1 . 1 60 60 ALA H H 1 8.418440 0 . . . . . . . 60 ALA HN . 52244 1 220 . 1 . 1 60 60 ALA C C 13 179.257830 0 . . . . . . . 60 ALA CO . 52244 1 221 . 1 . 1 60 60 ALA CA C 13 55.543090 0 . . . . . . . 60 ALA CA . 52244 1 222 . 1 . 1 60 60 ALA CB C 13 17.050000 0 . . . . . . . 60 ALA CB . 52244 1 223 . 1 . 1 60 60 ALA N N 15 123.693310 0 . . . . . . . 60 ALA N . 52244 1 224 . 1 . 1 61 61 GLU H H 1 7.956330 0 . . . . . . . 61 GLU HN . 52244 1 225 . 1 . 1 61 61 GLU C C 13 179.000000 0 . . . . . . . 61 GLU CO . 52244 1 226 . 1 . 1 61 61 GLU CA C 13 58.785550 0 . . . . . . . 61 GLU CA . 52244 1 227 . 1 . 1 61 61 GLU CB C 13 28.290000 0 . . . . . . . 61 GLU CB . 52244 1 228 . 1 . 1 61 61 GLU N N 15 119.093420 0 . . . . . . . 61 GLU N . 52244 1 229 . 1 . 1 62 62 ILE H H 1 7.882130 0 . . . . . . . 62 ILE HN . 52244 1 230 . 1 . 1 62 62 ILE C C 13 178.166950 0 . . . . . . . 62 ILE CO . 52244 1 231 . 1 . 1 62 62 ILE CA C 13 65.310000 0 . . . . . . . 62 ILE CA . 52244 1 232 . 1 . 1 62 62 ILE CB C 13 38.247650 0 . . . . . . . 62 ILE CB . 52244 1 233 . 1 . 1 62 62 ILE N N 15 117.026110 0 . . . . . . . 62 ILE N . 52244 1 234 . 1 . 1 63 63 LEU H H 1 8.457040 0 . . . . . . . 63 LEU HN . 52244 1 235 . 1 . 1 63 63 LEU C C 13 179.992000 0 . . . . . . . 63 LEU CO . 52244 1 236 . 1 . 1 63 63 LEU CA C 13 57.251000 0 . . . . . . . 63 LEU CA . 52244 1 237 . 1 . 1 63 63 LEU CB C 13 40.920000 0 . . . . . . . 63 LEU CB . 52244 1 238 . 1 . 1 63 63 LEU N N 15 117.070630 0 . . . . . . . 63 LEU N . 52244 1 239 . 1 . 1 64 64 GLU H H 1 8.911430 0 . . . . . . . 64 GLU HN . 52244 1 240 . 1 . 1 64 64 GLU C C 13 179.787010 0 . . . . . . . 64 GLU CO . 52244 1 241 . 1 . 1 64 64 GLU CA C 13 59.315290 0 . . . . . . . 64 GLU CA . 52244 1 242 . 1 . 1 64 64 GLU CB C 13 28.208100 0 . . . . . . . 64 GLU CB . 52244 1 243 . 1 . 1 64 64 GLU N N 15 122.282210 0 . . . . . . . 64 GLU N . 52244 1 244 . 1 . 1 65 65 LEU H H 1 7.521830 0 . . . . . . . 65 LEU HN . 52244 1 245 . 1 . 1 65 65 LEU C C 13 180.842760 0 . . . . . . . 65 LEU CO . 52244 1 246 . 1 . 1 65 65 LEU CA C 13 57.470370 0 . . . . . . . 65 LEU CA . 52244 1 247 . 1 . 1 65 65 LEU CB C 13 41.400050 0 . . . . . . . 65 LEU CB . 52244 1 248 . 1 . 1 65 65 LEU N N 15 118.939010 0 . . . . . . . 65 LEU N . 52244 1 249 . 1 . 1 66 66 ALA H H 1 9.323530 0 . . . . . . . 66 ALA HN . 52244 1 250 . 1 . 1 66 66 ALA C C 13 179.583130 0 . . . . . . . 66 ALA CO . 52244 1 251 . 1 . 1 66 66 ALA CA C 13 54.566160 0 . . . . . . . 66 ALA CA . 52244 1 252 . 1 . 1 66 66 ALA CB C 13 18.285220 0 . . . . . . . 66 ALA CB . 52244 1 253 . 1 . 1 66 66 ALA N N 15 124.309770 0 . . . . . . . 66 ALA N . 52244 1 254 . 1 . 1 67 67 GLY H H 1 8.885130 0 . . . . . . . 67 GLY HN . 52244 1 255 . 1 . 1 67 67 GLY C C 13 175.811370 0 . . . . . . . 67 GLY CO . 52244 1 256 . 1 . 1 67 67 GLY CA C 13 45.12801801 0 . . . . . . . 67 GLY CA . 52244 1 257 . 1 . 1 67 67 GLY N N 15 105.916130 0 . . . . . . . 67 GLY N . 52244 1 258 . 1 . 1 68 68 ASN H H 1 7.698580 0 . . . . . . . 68 ASN HN . 52244 1 259 . 1 . 1 68 68 ASN C C 13 176.907550 0 . . . . . . . 68 ASN CO . 52244 1 260 . 1 . 1 68 68 ASN CA C 13 55.046520 0 . . . . . . . 68 ASN CA . 52244 1 261 . 1 . 1 68 68 ASN CB C 13 36.430100 0 . . . . . . . 68 ASN CB . 52244 1 262 . 1 . 1 68 68 ASN N N 15 122.854990 0 . . . . . . . 68 ASN N . 52244 1 263 . 1 . 1 69 69 ALA H H 1 7.477710 0 . . . . . . . 69 ALA HN . 52244 1 264 . 1 . 1 69 69 ALA C C 13 180.131610 0 . . . . . . . 69 ALA CO . 52244 1 265 . 1 . 1 69 69 ALA CA C 13 54.480900 0 . . . . . . . 69 ALA CA . 52244 1 266 . 1 . 1 69 69 ALA CB C 13 16.412540 0 . . . . . . . 69 ALA CB . 52244 1 267 . 1 . 1 69 69 ALA N N 15 123.208270 0 . . . . . . . 69 ALA N . 52244 1 268 . 1 . 1 70 70 ALA H H 1 7.733960 0 . . . . . . . 70 ALA HN . 52244 1 269 . 1 . 1 70 70 ALA C C 13 179.065190 0 . . . . . . . 70 ALA CO . 52244 1 270 . 1 . 1 70 70 ALA CA C 13 54.810380 0 . . . . . . . 70 ALA CA . 52244 1 271 . 1 . 1 70 70 ALA CB C 13 16.441650 0 . . . . . . . 70 ALA CB . 52244 1 272 . 1 . 1 70 70 ALA N N 15 122.389910 0 . . . . . . . 70 ALA N . 52244 1 273 . 1 . 1 71 71 ARG H H 1 7.574670 0 . . . . . . . 71 ARG HN . 52244 1 274 . 1 . 1 71 71 ARG C C 13 181.444330 0 . . . . . . . 71 ARG CO . 52244 1 275 . 1 . 1 71 71 ARG CA C 13 58.788850 0 . . . . . . . 71 ARG CA . 52244 1 276 . 1 . 1 71 71 ARG CB C 13 31.483610 0 . . . . . . . 71 ARG CB . 52244 1 277 . 1 . 1 71 71 ARG N N 15 119.497290 0 . . . . . . . 71 ARG N . 52244 1 278 . 1 . 1 72 72 ASP H H 1 8.476380 0 . . . . . . . 72 ASP HN . 52244 1 279 . 1 . 1 72 72 ASP C C 13 176.824030 0 . . . . . . . 72 ASP CO . 52244 1 280 . 1 . 1 72 72 ASP CA C 13 56.666730 0 . . . . . . . 72 ASP CA . 52244 1 281 . 1 . 1 72 72 ASP CB C 13 39.574480 0 . . . . . . . 72 ASP CB . 52244 1 282 . 1 . 1 72 72 ASP N N 15 122.604130 0 . . . . . . . 72 ASP N . 52244 1 283 . 1 . 1 73 73 ASN H H 1 7.369010 0 . . . . . . . 73 ASN HN . 52244 1 284 . 1 . 1 73 73 ASN C C 13 173.276530 0 . . . . . . . 73 ASN CO . 52244 1 285 . 1 . 1 73 73 ASN CA C 13 52.527190 0 . . . . . . . 73 ASN CA . 52244 1 286 . 1 . 1 73 73 ASN CB C 13 40.095290 0 . . . . . . . 73 ASN CB . 52244 1 287 . 1 . 1 73 73 ASN N N 15 116.908570 0 . . . . . . . 73 ASN N . 52244 1 288 . 1 . 1 74 74 LYS H H 1 8.088450 0 . . . . . . . 74 LYS HN . 52244 1 289 . 1 . 1 74 74 LYS C C 13 175.498680 0 . . . . . . . 74 LYS CO . 52244 1 290 . 1 . 1 74 74 LYS CA C 13 56.556210 0 . . . . . . . 74 LYS CA . 52244 1 291 . 1 . 1 74 74 LYS CB C 13 27.750000 0 . . . . . . . 74 LYS CB . 52244 1 292 . 1 . 1 74 74 LYS N N 15 115.545980 0 . . . . . . . 74 LYS N . 52244 1 293 . 1 . 1 75 75 LYS H H 1 8.173640 0 . . . . . . . 75 LYS HN . 52244 1 294 . 1 . 1 75 75 LYS C C 13 177.070000 0 . . . . . . . 75 LYS CO . 52244 1 295 . 1 . 1 75 75 LYS CA C 13 52.671840 0 . . . . . . . 75 LYS CA . 52244 1 296 . 1 . 1 75 75 LYS CB C 13 27.624900 0 . . . . . . . 75 LYS CB . 52244 1 297 . 1 . 1 75 75 LYS N N 15 117.019590 0 . . . . . . . 75 LYS N . 52244 1 298 . 1 . 1 76 76 THR C C 13 173.724760 0 . . . . . . . 76 THR CO . 52244 1 299 . 1 . 1 76 76 THR CA C 13 60.900000 0 . . . . . . . 76 THR CA . 52244 1 300 . 1 . 1 76 76 THR CB C 13 68.530000 0 . . . . . . . 76 THR CB . 52244 1 301 . 1 . 1 77 77 ARG H H 1 7.088780 0 . . . . . . . 77 ARG HN . 52244 1 302 . 1 . 1 77 77 ARG C C 13 173.957630 0 . . . . . . . 77 ARG CO . 52244 1 303 . 1 . 1 77 77 ARG CA C 13 54.305830 0 . . . . . . . 77 ARG CA . 52244 1 304 . 1 . 1 77 77 ARG CB C 13 32.562260 0 . . . . . . . 77 ARG CB . 52244 1 305 . 1 . 1 77 77 ARG N N 15 118.983790 0 . . . . . . . 77 ARG N . 52244 1 306 . 1 . 1 78 78 ILE H H 1 8.467610 0 . . . . . . . 78 ILE HN . 52244 1 307 . 1 . 1 78 78 ILE C C 13 175.006250 0 . . . . . . . 78 ILE CO . 52244 1 308 . 1 . 1 78 78 ILE CA C 13 61.007700 0 . . . . . . . 78 ILE CA . 52244 1 309 . 1 . 1 78 78 ILE CB C 13 39.090000 0 . . . . . . . 78 ILE CB . 52244 1 310 . 1 . 1 78 78 ILE N N 15 124.474010 0 . . . . . . . 78 ILE N . 52244 1 311 . 1 . 1 79 79 ILE H H 1 8.970640 0 . . . . . . . 79 ILE HN . 52244 1 312 . 1 . 1 79 79 ILE C C 13 176.010000 0 . . . . . . . 79 ILE CO . 52244 1 313 . 1 . 1 79 79 ILE CA C 13 58.824160 0 . . . . . . . 79 ILE CA . 52244 1 314 . 1 . 1 79 79 ILE CB C 13 35.888160 0 . . . . . . . 79 ILE CB . 52244 1 315 . 1 . 1 79 79 ILE N N 15 124.864320 0 . . . . . . . 79 ILE N . 52244 1 316 . 1 . 1 81 81 ARG C C 13 177.753840 0 . . . . . . . 81 ARG CO . 52244 1 317 . 1 . 1 81 81 ARG CA C 13 58.580000 0 . . . . . . . 81 ARG CA . 52244 1 318 . 1 . 1 81 81 ARG CB C 13 29.080000 0 . . . . . . . 81 ARG CB . 52244 1 319 . 1 . 1 82 82 HIS H H 1 7.319050 0 . . . . . . . 82 HIS HN . 52244 1 320 . 1 . 1 82 82 HIS C C 13 178.333930 0 . . . . . . . 82 HIS CO . 52244 1 321 . 1 . 1 82 82 HIS CA C 13 58.054010 0 . . . . . . . 82 HIS CA . 52244 1 322 . 1 . 1 82 82 HIS CB C 13 31.567740 0 . . . . . . . 82 HIS CB . 52244 1 323 . 1 . 1 82 82 HIS N N 15 117.751680 0 . . . . . . . 82 HIS N . 52244 1 324 . 1 . 1 83 83 LEU H H 1 7.108700 0 . . . . . . . 83 LEU HN . 52244 1 325 . 1 . 1 83 83 LEU C C 13 177.728150 0 . . . . . . . 83 LEU CO . 52244 1 326 . 1 . 1 83 83 LEU CA C 13 57.508980 0 . . . . . . . 83 LEU CA . 52244 1 327 . 1 . 1 83 83 LEU CB C 13 41.180000 0 . . . . . . . 83 LEU CB . 52244 1 328 . 1 . 1 83 83 LEU N N 15 117.089920 0 . . . . . . . 83 LEU N . 52244 1 329 . 1 . 1 84 84 GLN H H 1 8.133040 0 . . . . . . . 84 GLN HN . 52244 1 330 . 1 . 1 84 84 GLN C C 13 178.559200 0 . . . . . . . 84 GLN CO . 52244 1 331 . 1 . 1 84 84 GLN CA C 13 58.744280 0 . . . . . . . 84 GLN CA . 52244 1 332 . 1 . 1 84 84 GLN CB C 13 27.660000 0 . . . . . . . 84 GLN CB . 52244 1 333 . 1 . 1 84 84 GLN N N 15 116.767970 0 . . . . . . . 84 GLN N . 52244 1 334 . 1 . 1 85 85 LEU H H 1 8.122730 0 . . . . . . . 85 LEU HN . 52244 1 335 . 1 . 1 85 85 LEU C C 13 178.341290 0 . . . . . . . 85 LEU CO . 52244 1 336 . 1 . 1 85 85 LEU CA C 13 57.555070 0 . . . . . . . 85 LEU CA . 52244 1 337 . 1 . 1 85 85 LEU CB C 13 41.091960 0 . . . . . . . 85 LEU CB . 52244 1 338 . 1 . 1 85 85 LEU N N 15 119.471910 0 . . . . . . . 85 LEU N . 52244 1 339 . 1 . 1 86 86 ALA H H 1 7.751040 0 . . . . . . . 86 ALA HN . 52244 1 340 . 1 . 1 86 86 ALA C C 13 179.180000 0 . . . . . . . 86 ALA CO . 52244 1 341 . 1 . 1 86 86 ALA CA C 13 54.193690 0 . . . . . . . 86 ALA CA . 52244 1 342 . 1 . 1 86 86 ALA CB C 13 17.682700 0 . . . . . . . 86 ALA CB . 52244 1 343 . 1 . 1 86 86 ALA N N 15 119.848430 0 . . . . . . . 86 ALA N . 52244 1 344 . 1 . 1 87 87 VAL C C 13 176.417920 0 . . . . . . . 87 VAL CO . 52244 1 345 . 1 . 1 87 87 VAL CA C 13 65.086910 0 . . . . . . . 87 VAL CA . 52244 1 346 . 1 . 1 87 87 VAL CB C 13 31.270000 0 . . . . . . . 87 VAL CB . 52244 1 347 . 1 . 1 88 88 ARG H H 1 7.862910 0 . . . . . . . 88 ARG HN . 52244 1 348 . 1 . 1 88 88 ARG C C 13 174.698040 0 . . . . . . . 88 ARG CO . 52244 1 349 . 1 . 1 88 88 ARG CA C 13 57.760640 0 . . . . . . . 88 ARG CA . 52244 1 350 . 1 . 1 88 88 ARG CB C 13 29.530000 0 . . . . . . . 88 ARG CB . 52244 1 351 . 1 . 1 88 88 ARG N N 15 115.027940 0 . . . . . . . 88 ARG N . 52244 1 352 . 1 . 1 89 89 ASN H H 1 7.722120 0 . . . . . . . 89 ASN HN . 52244 1 353 . 1 . 1 89 89 ASN C C 13 173.962630 0 . . . . . . . 89 ASN CO . 52244 1 354 . 1 . 1 89 89 ASN CA C 13 53.210000 0 . . . . . . . 89 ASN CA . 52244 1 355 . 1 . 1 89 89 ASN CB C 13 38.237330 0 . . . . . . . 89 ASN CB . 52244 1 356 . 1 . 1 89 89 ASN N N 15 113.358700 0 . . . . . . . 89 ASN N . 52244 1 357 . 1 . 1 90 90 ASP H H 1 7.303310 0 . . . . . . . 90 ASP HN . 52244 1 358 . 1 . 1 90 90 ASP C C 13 174.274940 0 . . . . . . . 90 ASP CO . 52244 1 359 . 1 . 1 90 90 ASP CA C 13 53.026960 0 . . . . . . . 90 ASP CA . 52244 1 360 . 1 . 1 90 90 ASP CB C 13 43.901850 0 . . . . . . . 90 ASP CB . 52244 1 361 . 1 . 1 90 90 ASP N N 15 122.565890 0 . . . . . . . 90 ASP N . 52244 1 362 . 1 . 1 91 91 GLU H H 1 8.877960 0 . . . . . . . 91 GLU HN . 52244 1 363 . 1 . 1 91 91 GLU C C 13 179.220260 0 . . . . . . . 91 GLU CO . 52244 1 364 . 1 . 1 91 91 GLU CA C 13 59.568750 0 . . . . . . . 91 GLU CA . 52244 1 365 . 1 . 1 91 91 GLU CB C 13 28.944740 0 . . . . . . . 91 GLU CB . 52244 1 366 . 1 . 1 91 91 GLU N N 15 126.277660 0 . . . . . . . 91 GLU N . 52244 1 367 . 1 . 1 92 92 GLU H H 1 8.085730 0 . . . . . . . 92 GLU HN . 52244 1 368 . 1 . 1 92 92 GLU C C 13 178.961890 0 . . . . . . . 92 GLU CO . 52244 1 369 . 1 . 1 92 92 GLU CA C 13 59.704240 0 . . . . . . . 92 GLU CA . 52244 1 370 . 1 . 1 92 92 GLU CB C 13 28.570000 0 . . . . . . . 92 GLU CB . 52244 1 371 . 1 . 1 92 92 GLU N N 15 117.701750 0 . . . . . . . 92 GLU N . 52244 1 372 . 1 . 1 93 93 LEU H H 1 9.120820 0 . . . . . . . 93 LEU HN . 52244 1 373 . 1 . 1 93 93 LEU C C 13 179.207290 0 . . . . . . . 93 LEU CO . 52244 1 374 . 1 . 1 93 93 LEU CA C 13 57.704950 0 . . . . . . . 93 LEU CA . 52244 1 375 . 1 . 1 93 93 LEU CB C 13 40.786600 0 . . . . . . . 93 LEU CB . 52244 1 376 . 1 . 1 93 93 LEU N N 15 120.928930 0 . . . . . . . 93 LEU N . 52244 1 377 . 1 . 1 94 94 ASN H H 1 9.058340 0 . . . . . . . 94 ASN HN . 52244 1 378 . 1 . 1 94 94 ASN C C 13 179.030000 0 . . . . . . . 94 ASN CO . 52244 1 379 . 1 . 1 94 94 ASN CA C 13 56.819860 0 . . . . . . . 94 ASN CA . 52244 1 380 . 1 . 1 94 94 ASN CB C 13 38.252190 0 . . . . . . . 94 ASN CB . 52244 1 381 . 1 . 1 94 94 ASN N N 15 119.149170 0 . . . . . . . 94 ASN N . 52244 1 382 . 1 . 1 96 96 LEU C C 13 178.185130 0 . . . . . . . 96 LEU CO . 52244 1 383 . 1 . 1 96 96 LEU CA C 13 57.300000 0 . . . . . . . 96 LEU CA . 52244 1 384 . 1 . 1 96 96 LEU CB C 13 42.190000 0 . . . . . . . 96 LEU CB . 52244 1 385 . 1 . 1 97 97 LEU H H 1 8.683230 0 . . . . . . . 97 LEU HN . 52244 1 386 . 1 . 1 97 97 LEU C C 13 178.719950 0 . . . . . . . 97 LEU CO . 52244 1 387 . 1 . 1 97 97 LEU CA C 13 55.046270 0 . . . . . . . 97 LEU CA . 52244 1 388 . 1 . 1 97 97 LEU CB C 13 41.400000 0 . . . . . . . 97 LEU CB . 52244 1 389 . 1 . 1 97 97 LEU N N 15 116.829930 0 . . . . . . . 97 LEU N . 52244 1 390 . 1 . 1 98 98 GLY H H 1 8.020570 0 . . . . . . . 98 GLY HN . 52244 1 391 . 1 . 1 98 98 GLY C C 13 178.520000 0 . . . . . . . 98 GLY CO . 52244 1 392 . 1 . 1 98 98 GLY CA C 13 46.300020 0 . . . . . . . 98 GLY CA . 52244 1 393 . 1 . 1 98 98 GLY N N 15 109.106380 0 . . . . . . . 98 GLY N . 52244 1 394 . 1 . 1 99 99 ARG H H 1 8.075690 0 . . . . . . . 99 ARG HN . 52244 1 395 . 1 . 1 99 99 ARG CB C 13 28.970000 0 . . . . . . . 99 ARG CB . 52244 1 396 . 1 . 1 99 99 ARG N N 15 118.280440 0 . . . . . . . 99 ARG N . 52244 1 397 . 1 . 1 100 100 VAL H H 1 7.801090 0 . . . . . . . 100 VAL HN . 52244 1 398 . 1 . 1 100 100 VAL CB C 13 30.160000 0 . . . . . . . 100 VAL CB . 52244 1 399 . 1 . 1 100 100 VAL N N 15 119.637340 0 . . . . . . . 100 VAL N . 52244 1 400 . 1 . 1 101 101 THR H H 1 8.172800 0 . . . . . . . 101 THR HN . 52244 1 401 . 1 . 1 101 101 THR C C 13 174.683800 0 . . . . . . . 101 THR CO . 52244 1 402 . 1 . 1 101 101 THR CA C 13 62.491840 0 . . . . . . . 101 THR CA . 52244 1 403 . 1 . 1 101 101 THR CB C 13 69.150000 0 . . . . . . . 101 THR CB . 52244 1 404 . 1 . 1 101 101 THR N N 15 119.188500 0 . . . . . . . 101 THR N . 52244 1 405 . 1 . 1 102 102 ILE H H 1 8.143020 0 . . . . . . . 102 ILE HN . 52244 1 406 . 1 . 1 102 102 ILE C C 13 175.975210 0 . . . . . . . 102 ILE CO . 52244 1 407 . 1 . 1 102 102 ILE CA C 13 60.782510 0 . . . . . . . 102 ILE CA . 52244 1 408 . 1 . 1 102 102 ILE CB C 13 37.760000 0 . . . . . . . 102 ILE CB . 52244 1 409 . 1 . 1 102 102 ILE N N 15 123.865990 0 . . . . . . . 102 ILE N . 52244 1 410 . 1 . 1 103 103 ALA H H 1 8.194010 0 . . . . . . . 103 ALA HN . 52244 1 411 . 1 . 1 103 103 ALA C C 13 177.495730 0 . . . . . . . 103 ALA CO . 52244 1 412 . 1 . 1 103 103 ALA CA C 13 52.295470 0 . . . . . . . 103 ALA CA . 52244 1 413 . 1 . 1 103 103 ALA CB C 13 18.310240 0 . . . . . . . 103 ALA CB . 52244 1 414 . 1 . 1 103 103 ALA N N 15 127.278610 0 . . . . . . . 103 ALA N . 52244 1 415 . 1 . 1 104 104 GLN H H 1 8.268780 0 . . . . . . . 104 GLN HN . 52244 1 416 . 1 . 1 104 104 GLN C C 13 176.720000 0 . . . . . . . 104 GLN CO . 52244 1 417 . 1 . 1 104 104 GLN CA C 13 55.546020 0 . . . . . . . 104 GLN CA . 52244 1 418 . 1 . 1 104 104 GLN N N 15 119.586770 0 . . . . . . . 104 GLN N . 52244 1 419 . 1 . 1 105 105 GLY H H 1 8.338600 0 . . . . . . . 105 GLY HN . 52244 1 420 . 1 . 1 105 105 GLY C C 13 174.500870 0 . . . . . . . 105 GLY CO . 52244 1 421 . 1 . 1 105 105 GLY CA C 13 45.000000 0 . . . . . . . 105 GLY CA . 52244 1 422 . 1 . 1 105 105 GLY N N 15 109.987800 0 . . . . . . . 105 GLY N . 52244 1 423 . 1 . 1 106 106 GLY H H 1 8.204600 0 . . . . . . . 106 GLY HN . 52244 1 424 . 1 . 1 106 106 GLY C C 13 173.781870 0 . . . . . . . 106 GLY CO . 52244 1 425 . 1 . 1 106 106 GLY CA C 13 44.781710 0 . . . . . . . 106 GLY CA . 52244 1 426 . 1 . 1 106 106 GLY N N 15 108.987170 0 . . . . . . . 106 GLY N . 52244 1 427 . 1 . 1 107 107 VAL H H 1 7.935700 0 . . . . . . . 107 VAL HN . 52244 1 428 . 1 . 1 107 107 VAL C C 13 176.032290 0 . . . . . . . 107 VAL CO . 52244 1 429 . 1 . 1 107 107 VAL CA C 13 61.604200 0 . . . . . . . 107 VAL CA . 52244 1 430 . 1 . 1 107 107 VAL CB C 13 32.020000 0 . . . . . . . 107 VAL CB . 52244 1 431 . 1 . 1 107 107 VAL N N 15 119.181710 0 . . . . . . . 107 VAL N . 52244 1 432 . 1 . 1 108 108 LEU H H 1 8.302980 0 . . . . . . . 108 LEU HN . 52244 1 433 . 1 . 1 108 108 LEU C C 13 175.200000 0 . . . . . . . 108 LEU CO . 52244 1 434 . 1 . 1 108 108 LEU CA C 13 52.559330 0 . . . . . . . 108 LEU CA . 52244 1 435 . 1 . 1 108 108 LEU CB C 13 40.733620 0 . . . . . . . 108 LEU CB . 52244 1 436 . 1 . 1 108 108 LEU N N 15 127.208950 0 . . . . . . . 108 LEU N . 52244 1 437 . 1 . 1 109 109 PRO C C 13 176.511480 0 . . . . . . . 109 PRO CO . 52244 1 438 . 1 . 1 109 109 PRO CA C 13 62.720000 0 . . . . . . . 109 PRO CA . 52244 1 439 . 1 . 1 110 110 ASN H H 1 8.416340 0 . . . . . . . 110 ASN HN . 52244 1 440 . 1 . 1 110 110 ASN C C 13 175.360350 0 . . . . . . . 110 ASN CO . 52244 1 441 . 1 . 1 110 110 ASN CA C 13 52.904180 0 . . . . . . . 110 ASN CA . 52244 1 442 . 1 . 1 110 110 ASN CB C 13 38.350000 0 . . . . . . . 110 ASN CB . 52244 1 443 . 1 . 1 110 110 ASN N N 15 118.827050 0 . . . . . . . 110 ASN N . 52244 1 444 . 1 . 1 111 111 ILE H H 1 8.074600 0 . . . . . . . 111 ILE HN . 52244 1 445 . 1 . 1 111 111 ILE C C 13 176.203240 0 . . . . . . . 111 ILE CO . 52244 1 446 . 1 . 1 111 111 ILE CA C 13 60.826260 0 . . . . . . . 111 ILE CA . 52244 1 447 . 1 . 1 111 111 ILE CB C 13 37.998120 0 . . . . . . . 111 ILE CB . 52244 1 448 . 1 . 1 111 111 ILE N N 15 121.417500 0 . . . . . . . 111 ILE N . 52244 1 449 . 1 . 1 112 112 GLN H H 1 8.375010 0 . . . . . . . 112 GLN HN . 52244 1 450 . 1 . 1 112 112 GLN C C 13 176.070000 0 . . . . . . . 112 GLN CO . 52244 1 451 . 1 . 1 112 112 GLN CA C 13 55.656360 0 . . . . . . . 112 GLN CA . 52244 1 452 . 1 . 1 112 112 GLN CB C 13 28.390880 0 . . . . . . . 112 GLN CB . 52244 1 453 . 1 . 1 112 112 GLN N N 15 123.887860 0 . . . . . . . 112 GLN N . 52244 1 454 . 1 . 1 113 113 SER H H 1 8.241800 0 . . . . . . . 113 SER HN . 52244 1 455 . 1 . 1 113 113 SER C C 13 174.519710 0 . . . . . . . 113 SER CO . 52244 1 456 . 1 . 1 113 113 SER CA C 13 58.264880 0 . . . . . . . 113 SER CA . 52244 1 457 . 1 . 1 113 113 SER CB C 13 63.860000 0 . . . . . . . 113 SER CB . 52244 1 458 . 1 . 1 113 113 SER N N 15 117.444650 0 . . . . . . . 113 SER N . 52244 1 459 . 1 . 1 114 114 VAL H H 1 8.009230 0 . . . . . . . 114 VAL HN . 52244 1 460 . 1 . 1 114 114 VAL C C 13 175.758690 0 . . . . . . . 114 VAL CO . 52244 1 461 . 1 . 1 114 114 VAL CA C 13 61.792760 0 . . . . . . . 114 VAL CA . 52244 1 462 . 1 . 1 114 114 VAL CB C 13 31.800000 0 . . . . . . . 114 VAL CB . 52244 1 463 . 1 . 1 114 114 VAL N N 15 121.587060 0 . . . . . . . 114 VAL N . 52244 1 464 . 1 . 1 115 115 LEU H H 1 8.150930 0 . . . . . . . 115 LEU HN . 52244 1 465 . 1 . 1 115 115 LEU C C 13 176.694210 0 . . . . . . . 115 LEU CO . 52244 1 466 . 1 . 1 115 115 LEU CA C 13 54.441600 0 . . . . . . . 115 LEU CA . 52244 1 467 . 1 . 1 115 115 LEU CB C 13 41.301070 0 . . . . . . . 115 LEU CB . 52244 1 468 . 1 . 1 115 115 LEU N N 15 125.411310 0 . . . . . . . 115 LEU N . 52244 1 469 . 1 . 1 116 116 LEU H H 1 8.078590 0 . . . . . . . 116 LEU HN . 52244 1 470 . 1 . 1 116 116 LEU C C 13 175.010000 0 . . . . . . . 116 LEU CO . 52244 1 471 . 1 . 1 116 116 LEU CA C 13 52.414890 0 . . . . . . . 116 LEU CA . 52244 1 472 . 1 . 1 116 116 LEU CB C 13 40.770000 0 . . . . . . . 116 LEU CB . 52244 1 473 . 1 . 1 116 116 LEU N N 15 124.772090 0 . . . . . . . 116 LEU N . 52244 1 474 . 1 . 1 117 117 PRO C C 13 176.862860 0 . . . . . . . 117 PRO CO . 52244 1 475 . 1 . 1 117 117 PRO CA C 13 62.544390 0 . . . . . . . 117 PRO CA . 52244 1 476 . 1 . 1 117 117 PRO CB C 13 31.280000 0 . . . . . . . 117 PRO CB . 52244 1 477 . 1 . 1 118 118 LYS H H 1 8.341350 0 . . . . . . . 118 LYS HN . 52244 1 478 . 1 . 1 118 118 LYS C C 13 176.770000 0 . . . . . . . 118 LYS CO . 52244 1 479 . 1 . 1 118 118 LYS CA C 13 55.795250 0 . . . . . . . 118 LYS CA . 52244 1 480 . 1 . 1 118 118 LYS CB C 13 32.053870 0 . . . . . . . 118 LYS CB . 52244 1 481 . 1 . 1 118 118 LYS N N 15 122.145800 0 . . . . . . . 118 LYS N . 52244 1 482 . 1 . 1 119 119 LYS C C 13 176.940000 0 . . . . . . . 119 LYS CO . 52244 1 483 . 1 . 1 119 119 LYS CA C 13 56.510000 0 . . . . . . . 119 LYS CA . 52244 1 484 . 1 . 1 120 120 THR H H 1 8.146830 0 . . . . . . . 120 THR HN . 52244 1 485 . 1 . 1 120 120 THR C C 13 174.570000 0 . . . . . . . 120 THR CO . 52244 1 486 . 1 . 1 120 120 THR CA C 13 61.930000 0 . . . . . . . 120 THR CA . 52244 1 487 . 1 . 1 120 120 THR N N 15 115.969120 0 . . . . . . . 120 THR N . 52244 1 488 . 1 . 1 121 121 GLU H H 1 8.466790 0 . . . . . . . 121 GLU HN . 52244 1 489 . 1 . 1 121 121 GLU C C 13 176.680000 0 . . . . . . . 121 GLU CO . 52244 1 490 . 1 . 1 121 121 GLU CA C 13 56.490000 0 . . . . . . . 121 GLU CA . 52244 1 491 . 1 . 1 121 121 GLU N N 15 124.025500 0 . . . . . . . 121 GLU N . 52244 1 492 . 1 . 1 122 122 SER H H 1 8.207930 0 . . . . . . . 122 SER HN . 52244 1 493 . 1 . 1 122 122 SER CA C 13 61.940000 0 . . . . . . . 122 SER CA . 52244 1 494 . 1 . 1 122 122 SER N N 15 116.620040 0 . . . . . . . 122 SER N . 52244 1 495 . 1 . 1 126 126 ALA C C 13 177.766840 0 . . . . . . . 126 ALA CO . 52244 1 496 . 1 . 1 126 126 ALA CA C 13 52.279910 0 . . . . . . . 126 ALA CA . 52244 1 497 . 1 . 1 127 127 LYS H H 1 8.277940 0 . . . . . . . 127 LYS HN . 52244 1 498 . 1 . 1 127 127 LYS C C 13 176.760000 0 . . . . . . . 127 LYS CO . 52244 1 499 . 1 . 1 127 127 LYS CA C 13 55.829580 0 . . . . . . . 127 LYS CA . 52244 1 500 . 1 . 1 127 127 LYS N N 15 120.909590 0 . . . . . . . 127 LYS N . 52244 1 501 . 1 . 1 128 128 SER C C 13 173.527220 0 . . . . . . . 128 SER CO . 52244 1 502 . 1 . 1 128 128 SER CA C 13 58.215900 0 . . . . . . . 128 SER CA . 52244 1 503 . 1 . 1 128 128 SER CB C 13 63.878540 0 . . . . . . . 128 SER CB . 52244 1 504 . 1 . 1 129 129 LYS H H 1 7.925310 0 . . . . . . . 129 LYS HN . 52244 1 505 . 1 . 1 129 129 LYS C C 13 181.320000 0 . . . . . . . 129 LYS CO . 52244 1 506 . 1 . 1 129 129 LYS CA C 13 57.533580 0 . . . . . . . 129 LYS CA . 52244 1 507 . 1 . 1 129 129 LYS CB C 13 32.659790 0 . . . . . . . 129 LYS CB . 52244 1 508 . 1 . 1 129 129 LYS N N 15 128.218350 0 . . . . . . . 129 LYS N . 52244 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52244 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'H2B Chemical Shifts' _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 $chem_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 12 '2D 1H-15N TROSY' . . . 52244 2 13 '2D 1H-15N TROSY' . . . 52244 2 14 '2D 1H-15N TROSY' . . . 52244 2 15 '3D HNCO' . . . 52244 2 16 '3D HNCO' . . . 52244 2 17 '3D HN(CA)CO' . . . 52244 2 18 '3D HN(CO)CA' . . . 52244 2 19 '3D HN(CO)CA' . . . 52244 2 20 '3D HNCA' . . . 52244 2 21 '3D HN(CO)CACB' . . . 52244 2 22 '3D HNCACB' . . . 52244 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52244 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 PRO C C 13 176.780000 0 . . . . . . . 1 Pro CO . 52244 2 2 . 2 . 2 1 1 PRO CA C 13 62.540000 0 . . . . . . . 1 Pro CA . 52244 2 3 . 2 . 2 1 1 PRO CB C 13 31.330000 0 . . . . . . . 1 Pro CB . 52244 2 4 . 2 . 2 2 2 GLU H H 1 8.540000 0 . . . . . . . 2 Glu HN . 52244 2 5 . 2 . 2 2 2 GLU C C 13 174.610000 0 . . . . . . . 2 Glu CO . 52244 2 6 . 2 . 2 2 2 GLU CA C 13 54.030000 0 . . . . . . . 2 Glu CA . 52244 2 7 . 2 . 2 2 2 GLU CB C 13 28.810000 0 . . . . . . . 2 Glu CB . 52244 2 8 . 2 . 2 2 2 GLU N N 15 123.580000 0 . . . . . . . 2 Glu N . 52244 2 9 . 2 . 2 3 3 PRO C C 13 176.740000 0 . . . . . . . 3 Pro CO . 52244 2 10 . 2 . 2 3 3 PRO CA C 13 62.710000 0 . . . . . . . 3 Pro CA . 52244 2 11 . 2 . 2 3 3 PRO CB C 13 31.310000 0 . . . . . . . 3 Pro CB . 52244 2 12 . 2 . 2 4 4 ALA H H 1 8.360000 0 . . . . . . . 4 Ala HN . 52244 2 13 . 2 . 2 4 4 ALA C C 13 177.980000 0 . . . . . . . 4 Ala CO . 52244 2 14 . 2 . 2 4 4 ALA CA C 13 52.040000 0 . . . . . . . 4 Ala CA . 52244 2 15 . 2 . 2 4 4 ALA CB C 13 18.370000 0 . . . . . . . 4 Ala CB . 52244 2 16 . 2 . 2 4 4 ALA N N 15 124.730000 0 . . . . . . . 4 Ala N . 52244 2 17 . 2 . 2 5 5 LYS H H 1 8.290000 0 . . . . . . . 5 Lys HN . 52244 2 18 . 2 . 2 5 5 LYS CA C 13 55.750000 0 . . . . . . . 5 Lys CA . 52244 2 19 . 2 . 2 5 5 LYS CB C 13 32.020000 0 . . . . . . . 5 Lys CB . 52244 2 20 . 2 . 2 5 5 LYS N N 15 121.360000 0 . . . . . . . 5 Lys N . 52244 2 21 . 2 . 2 6 6 SER C C 13 173.710000 0 . . . . . . . 6 Ser CO . 52244 2 22 . 2 . 2 6 6 SER CA C 13 57.700000 0 . . . . . . . 6 Ser CA . 52244 2 23 . 2 . 2 7 7 ALA H H 1 8.270000 0 . . . . . . . 7 Ala HN . 52244 2 24 . 2 . 2 7 7 ALA CA C 13 50.080000 0 . . . . . . . 7 Ala CA . 52244 2 25 . 2 . 2 7 7 ALA CB C 13 19.550000 0 . . . . . . . 7 Ala CB . 52244 2 26 . 2 . 2 7 7 ALA N N 15 127.630000 0 . . . . . . . 7 Ala N . 52244 2 27 . 2 . 2 8 8 PRO C C 13 176.390000 0 . . . . . . . 8 Pro CO . 52244 2 28 . 2 . 2 8 8 PRO CA C 13 62.410000 0 . . . . . . . 8 Pro CA . 52244 2 29 . 2 . 2 8 8 PRO CB C 13 31.260000 0 . . . . . . . 8 Pro CB . 52244 2 30 . 2 . 2 9 9 ALA H H 1 8.340000 0 . . . . . . . 9 Ala HN . 52244 2 31 . 2 . 2 9 9 ALA C C 13 175.670000 0 . . . . . . . 9 Ala CO . 52244 2 32 . 2 . 2 9 9 ALA CA C 13 49.960000 0 . . . . . . . 9 Ala CA . 52244 2 33 . 2 . 2 9 9 ALA CB C 13 17.320000 0 . . . . . . . 9 Ala CB . 52244 2 34 . 2 . 2 9 9 ALA N N 15 126.290000 0 . . . . . . . 9 Ala N . 52244 2 35 . 2 . 2 16 16 LYS C C 13 176.230000 0 . . . . . . . 16 Lys CO . 52244 2 36 . 2 . 2 16 16 LYS CA C 13 55.770000 0 . . . . . . . 16 Lys CA . 52244 2 37 . 2 . 2 17 17 ALA H H 1 8.290000 0 . . . . . . . 17 Ala HN . 52244 2 38 . 2 . 2 17 17 ALA C C 13 177.670000 0 . . . . . . . 17 Ala CO . 52244 2 39 . 2 . 2 17 17 ALA CA C 13 51.920000 0 . . . . . . . 17 Ala CA . 52244 2 40 . 2 . 2 17 17 ALA CB C 13 18.370000 0 . . . . . . . 17 Ala CB . 52244 2 41 . 2 . 2 17 17 ALA N N 15 126.580000 0 . . . . . . . 17 Ala N . 52244 2 42 . 2 . 2 18 18 VAL H H 1 8.160000 0 . . . . . . . 18 Val HN . 52244 2 43 . 2 . 2 18 18 VAL C C 13 176.490000 0 . . . . . . . 18 Val CO . 52244 2 44 . 2 . 2 18 18 VAL CA C 13 61.780000 0 . . . . . . . 18 Val CA . 52244 2 45 . 2 . 2 18 18 VAL CB C 13 32.000000 0 . . . . . . . 18 Val CB . 52244 2 46 . 2 . 2 18 18 VAL N N 15 120.740000 0 . . . . . . . 18 Val N . 52244 2 47 . 2 . 2 19 19 THR C C 13 177.000000 0 . . . . . . . 19 Thr CO . 52244 2 48 . 2 . 2 19 19 THR CA C 13 62.530000 0 . . . . . . . 19 Thr CA . 52244 2 49 . 2 . 2 20 20 LYS H H 1 8.380000 0 . . . . . . . 20 Lys HN . 52244 2 50 . 2 . 2 20 20 LYS C C 13 176.960000 0 . . . . . . . 20 Lys CO . 52244 2 51 . 2 . 2 20 20 LYS CA C 13 55.820000 0 . . . . . . . 20 Lys CA . 52244 2 52 . 2 . 2 20 20 LYS CB C 13 32.020000 0 . . . . . . . 20 Lys CB . 52244 2 53 . 2 . 2 20 20 LYS N N 15 122.580000 0 . . . . . . . 20 Lys N . 52244 2 54 . 2 . 2 26 26 GLY H H 1 8.320000 0 . . . . . . . 26 Gly HN . 52244 2 55 . 2 . 2 26 26 GLY N N 15 110.030000 0 . . . . . . . 26 Gly N . 52244 2 56 . 2 . 2 34 34 LYS C C 13 176.290000 0 . . . . . . . 34 Lys CO . 52244 2 57 . 2 . 2 34 34 LYS CA C 13 55.330000 0 . . . . . . . 34 Lys CA . 52244 2 58 . 2 . 2 34 34 LYS CB C 13 32.030000 0 . . . . . . . 34 Lys CB . 52244 2 59 . 2 . 2 35 35 GLU H H 1 8.190000 0 . . . . . . . 35 Glu HN . 52244 2 60 . 2 . 2 35 35 GLU C C 13 176.220000 0 . . . . . . . 35 Glu CO . 52244 2 61 . 2 . 2 35 35 GLU CA C 13 55.470000 0 . . . . . . . 35 Glu CA . 52244 2 62 . 2 . 2 35 35 GLU CB C 13 29.530000 0 . . . . . . . 35 Glu CB . 52244 2 63 . 2 . 2 35 35 GLU N N 15 123.960000 0 . . . . . . . 35 Glu N . 52244 2 64 . 2 . 2 38 38 ALA C C 13 175.950000 0 . . . . . . . 38 Ala CO . 52244 2 65 . 2 . 2 39 39 ILE H H 1 9.550000 0 . . . . . . . 39 Ile HN . 52244 2 66 . 2 . 2 39 39 ILE C C 13 175.710000 0 . . . . . . . 39 Ile CO . 52244 2 67 . 2 . 2 39 39 ILE CA C 13 57.520000 0 . . . . . . . 39 Ile CA . 52244 2 68 . 2 . 2 39 39 ILE N N 15 127.570000 0 . . . . . . . 39 Ile N . 52244 2 69 . 2 . 2 40 40 TYR C C 13 177.700000 0 . . . . . . . 40 Tyr CO . 52244 2 70 . 2 . 2 41 41 VAL H H 1 8.300000 0 . . . . . . . 41 Val HN . 52244 2 71 . 2 . 2 41 41 VAL C C 13 177.950000 0 . . . . . . . 41 Val CO . 52244 2 72 . 2 . 2 41 41 VAL CA C 13 57.900000 0 . . . . . . . 41 Val CA . 52244 2 73 . 2 . 2 41 41 VAL CB C 13 30.170000 0 . . . . . . . 41 Val CB . 52244 2 74 . 2 . 2 41 41 VAL N N 15 120.300000 0 . . . . . . . 41 Val N . 52244 2 75 . 2 . 2 42 42 TYR H H 1 8.330000 0 . . . . . . . 42 Tyr HN . 52244 2 76 . 2 . 2 42 42 TYR C C 13 177.950000 0 . . . . . . . 42 Tyr CO . 52244 2 77 . 2 . 2 42 42 TYR CA C 13 61.820000 0 . . . . . . . 42 Tyr CA . 52244 2 78 . 2 . 2 42 42 TYR N N 15 118.500000 0 . . . . . . . 42 Tyr N . 52244 2 79 . 2 . 2 43 43 LYS H H 1 7.420000 0 . . . . . . . 43 Lys HN . 52244 2 80 . 2 . 2 43 43 LYS C C 13 179.740000 0 . . . . . . . 43 Lys CO . 52244 2 81 . 2 . 2 43 43 LYS CA C 13 59.680000 0 . . . . . . . 43 Lys CA . 52244 2 82 . 2 . 2 43 43 LYS CB C 13 31.680000 0 . . . . . . . 43 Lys CB . 52244 2 83 . 2 . 2 43 43 LYS N N 15 117.840000 0 . . . . . . . 43 Lys N . 52244 2 84 . 2 . 2 44 44 VAL H H 1 7.910000 0 . . . . . . . 44 Val HN . 52244 2 85 . 2 . 2 44 44 VAL C C 13 178.390000 0 . . . . . . . 44 Val CO . 52244 2 86 . 2 . 2 44 44 VAL CA C 13 65.750000 0 . . . . . . . 44 Val CA . 52244 2 87 . 2 . 2 44 44 VAL CB C 13 30.730000 0 . . . . . . . 44 Val CB . 52244 2 88 . 2 . 2 44 44 VAL N N 15 120.240000 0 . . . . . . . 44 Val N . 52244 2 89 . 2 . 2 45 45 LEU H H 1 8.570000 0 . . . . . . . 45 Leu HN . 52244 2 90 . 2 . 2 45 45 LEU C C 13 177.320000 0 . . . . . . . 45 Leu CO . 52244 2 91 . 2 . 2 45 45 LEU CA C 13 57.760000 0 . . . . . . . 45 Leu CA . 52244 2 92 . 2 . 2 45 45 LEU CB C 13 39.970000 0 . . . . . . . 45 Leu CB . 52244 2 93 . 2 . 2 45 45 LEU N N 15 122.170000 0 . . . . . . . 45 Leu N . 52244 2 94 . 2 . 2 46 46 LYS H H 1 7.680000 0 . . . . . . . 46 Lys HN . 52244 2 95 . 2 . 2 46 46 LYS C C 13 177.670000 0 . . . . . . . 46 Lys CO . 52244 2 96 . 2 . 2 46 46 LYS CA C 13 57.080000 0 . . . . . . . 46 Lys CA . 52244 2 97 . 2 . 2 46 46 LYS CB C 13 30.870000 0 . . . . . . . 46 Lys CB . 52244 2 98 . 2 . 2 46 46 LYS N N 15 114.940000 0 . . . . . . . 46 Lys N . 52244 2 99 . 2 . 2 47 47 GLN H H 1 7.300000 0 . . . . . . . 47 Gln HN . 52244 2 100 . 2 . 2 47 47 GLN C C 13 177.700000 0 . . . . . . . 47 Gln CO . 52244 2 101 . 2 . 2 47 47 GLN CA C 13 57.270000 0 . . . . . . . 47 Gln CA . 52244 2 102 . 2 . 2 47 47 GLN CB C 13 28.450000 0 . . . . . . . 47 Gln CB . 52244 2 103 . 2 . 2 47 47 GLN N N 15 115.300000 0 . . . . . . . 47 Gln N . 52244 2 104 . 2 . 2 48 48 VAL H H 1 7.620000 0 . . . . . . . 48 Val HN . 52244 2 105 . 2 . 2 48 48 VAL C C 13 175.660000 0 . . . . . . . 48 Val CO . 52244 2 106 . 2 . 2 48 48 VAL CA C 13 63.500000 0 . . . . . . . 48 Val CA . 52244 2 107 . 2 . 2 48 48 VAL CB C 13 32.190000 0 . . . . . . . 48 Val CB . 52244 2 108 . 2 . 2 48 48 VAL N N 15 114.420000 0 . . . . . . . 48 Val N . 52244 2 109 . 2 . 2 49 49 HIS H H 1 8.800000 0 . . . . . . . 49 His HN . 52244 2 110 . 2 . 2 49 49 HIS C C 13 172.830000 0 . . . . . . . 49 His CO . 52244 2 111 . 2 . 2 49 49 HIS CA C 13 53.980000 0 . . . . . . . 49 His CA . 52244 2 112 . 2 . 2 49 49 HIS CB C 13 32.060000 0 . . . . . . . 49 His CB . 52244 2 113 . 2 . 2 49 49 HIS N N 15 119.690000 0 . . . . . . . 49 His N . 52244 2 114 . 2 . 2 50 50 PRO C C 13 177.480000 0 . . . . . . . 50 Pro CO . 52244 2 115 . 2 . 2 50 50 PRO CA C 13 64.990000 0 . . . . . . . 50 Pro CA . 52244 2 116 . 2 . 2 51 51 ASP H H 1 8.400000 0 . . . . . . . 51 Asp HN . 52244 2 117 . 2 . 2 51 51 ASP C C 13 176.020000 0 . . . . . . . 51 Asp CO . 52244 2 118 . 2 . 2 51 51 ASP CA C 13 53.420000 0 . . . . . . . 51 Asp CA . 52244 2 119 . 2 . 2 51 51 ASP CB C 13 40.770000 0 . . . . . . . 51 Asp CB . 52244 2 120 . 2 . 2 51 51 ASP N N 15 116.040000 0 . . . . . . . 51 Asp N . 52244 2 121 . 2 . 2 52 52 THR H H 1 7.790000 0 . . . . . . . 52 Thr HN . 52244 2 122 . 2 . 2 52 52 THR C C 13 173.580000 0 . . . . . . . 52 Thr CO . 52244 2 123 . 2 . 2 52 52 THR CA C 13 62.360000 0 . . . . . . . 52 Thr CA . 52244 2 124 . 2 . 2 52 52 THR CB C 13 69.880000 0 . . . . . . . 52 Thr CB . 52244 2 125 . 2 . 2 52 52 THR N N 15 119.620000 0 . . . . . . . 52 Thr N . 52244 2 126 . 2 . 2 53 53 GLY H H 1 8.500000 0 . . . . . . . 53 Gly HN . 52244 2 127 . 2 . 2 53 53 GLY C C 13 173.080000 0 . . . . . . . 53 Gly CO . 52244 2 128 . 2 . 2 53 53 GLY CA C 13 43.200000 0 . . . . . . . 53 Gly CA . 52244 2 129 . 2 . 2 53 53 GLY N N 15 113.350000 0 . . . . . . . 53 Gly N . 52244 2 130 . 2 . 2 54 54 ILE H H 1 8.800000 0 . . . . . . . 54 Ile HN . 52244 2 131 . 2 . 2 54 54 ILE C C 13 173.100000 0 . . . . . . . 54 Ile CO . 52244 2 132 . 2 . 2 54 54 ILE CA C 13 59.580000 0 . . . . . . . 54 Ile CA . 52244 2 133 . 2 . 2 54 54 ILE CB C 13 39.600000 0 . . . . . . . 54 Ile CB . 52244 2 134 . 2 . 2 54 54 ILE N N 15 118.080000 0 . . . . . . . 54 Ile N . 52244 2 135 . 2 . 2 55 55 SER H H 1 8.940000 0 . . . . . . . 55 Ser HN . 52244 2 136 . 2 . 2 55 55 SER C C 13 174.950000 0 . . . . . . . 55 Ser CO . 52244 2 137 . 2 . 2 55 55 SER CA C 13 57.290000 0 . . . . . . . 55 Ser CA . 52244 2 138 . 2 . 2 55 55 SER CB C 13 65.200000 0 . . . . . . . 55 Ser CB . 52244 2 139 . 2 . 2 55 55 SER N N 15 125.240000 0 . . . . . . . 55 Ser N . 52244 2 140 . 2 . 2 57 57 LYS C C 13 179.780000 0 . . . . . . . 57 Lys CO . 52244 2 141 . 2 . 2 57 57 LYS CA C 13 58.790000 0 . . . . . . . 57 Lys CA . 52244 2 142 . 2 . 2 57 57 LYS CB C 13 31.730000 0 . . . . . . . 57 Lys CB . 52244 2 143 . 2 . 2 58 58 ALA H H 1 7.580000 0 . . . . . . . 58 Ala HN . 52244 2 144 . 2 . 2 58 58 ALA C C 13 178.740000 0 . . . . . . . 58 Ala CO . 52244 2 145 . 2 . 2 58 58 ALA CA C 13 54.530000 0 . . . . . . . 58 Ala CA . 52244 2 146 . 2 . 2 58 58 ALA CB C 13 17.630000 0 . . . . . . . 58 Ala CB . 52244 2 147 . 2 . 2 58 58 ALA N N 15 121.640000 0 . . . . . . . 58 Ala N . 52244 2 148 . 2 . 2 59 59 MET H H 1 8.800000 0 . . . . . . . 59 Met HN . 52244 2 149 . 2 . 2 59 59 MET C C 13 178.010000 0 . . . . . . . 59 Met CO . 52244 2 150 . 2 . 2 59 59 MET CA C 13 57.000000 0 . . . . . . . 59 Met CA . 52244 2 151 . 2 . 2 59 59 MET CB C 13 30.260000 0 . . . . . . . 59 Met CB . 52244 2 152 . 2 . 2 59 59 MET N N 15 120.320000 0 . . . . . . . 59 Met N . 52244 2 153 . 2 . 2 60 60 SER H H 1 7.940000 0 . . . . . . . 60 Ser HN . 52244 2 154 . 2 . 2 60 60 SER C C 13 177.660000 0 . . . . . . . 60 Ser CO . 52244 2 155 . 2 . 2 60 60 SER CA C 13 61.520000 0 . . . . . . . 60 Ser CA . 52244 2 156 . 2 . 2 60 60 SER N N 15 115.880000 0 . . . . . . . 60 Ser N . 52244 2 157 . 2 . 2 61 61 ILE H H 1 7.330000 0 . . . . . . . 61 Ile HN . 52244 2 158 . 2 . 2 61 61 ILE C C 13 178.000000 0 . . . . . . . 61 Ile CO . 52244 2 159 . 2 . 2 61 61 ILE CA C 13 64.750000 0 . . . . . . . 61 Ile CA . 52244 2 160 . 2 . 2 61 61 ILE CB C 13 36.360000 0 . . . . . . . 61 Ile CB . 52244 2 161 . 2 . 2 61 61 ILE N N 15 123.400000 0 . . . . . . . 61 Ile N . 52244 2 162 . 2 . 2 62 62 MET H H 1 7.970000 0 . . . . . . . 62 Met HN . 52244 2 163 . 2 . 2 62 62 MET C C 13 178.760000 0 . . . . . . . 62 Met CO . 52244 2 164 . 2 . 2 62 62 MET CA C 13 55.810000 0 . . . . . . . 62 Met CA . 52244 2 165 . 2 . 2 62 62 MET CB C 13 28.300000 0 . . . . . . . 62 Met CB . 52244 2 166 . 2 . 2 62 62 MET N N 15 118.740000 0 . . . . . . . 62 Met N . 52244 2 167 . 2 . 2 63 63 ASN H H 1 8.750000 0 . . . . . . . 63 Asn HN . 52244 2 168 . 2 . 2 63 63 ASN C C 13 178.710000 0 . . . . . . . 63 Asn CO . 52244 2 169 . 2 . 2 63 63 ASN CA C 13 56.850000 0 . . . . . . . 63 Asn CA . 52244 2 170 . 2 . 2 63 63 ASN CB C 13 38.920000 0 . . . . . . . 63 Asn CB . 52244 2 171 . 2 . 2 63 63 ASN N N 15 118.180000 0 . . . . . . . 63 Asn N . 52244 2 172 . 2 . 2 64 64 SER H H 1 8.190000 0 . . . . . . . 64 Ser HN . 52244 2 173 . 2 . 2 64 64 SER CA C 13 62.300000 0 . . . . . . . 64 Ser CA . 52244 2 174 . 2 . 2 64 64 SER N N 15 118.870000 0 . . . . . . . 64 Ser N . 52244 2 175 . 2 . 2 65 65 PHE C C 13 177.210000 0 . . . . . . . 65 Phe CO . 52244 2 176 . 2 . 2 66 66 VAL H H 1 8.360000 0 . . . . . . . 66 Val HN . 52244 2 177 . 2 . 2 66 66 VAL C C 13 177.800000 0 . . . . . . . 66 Val CO . 52244 2 178 . 2 . 2 66 66 VAL CA C 13 67.230000 0 . . . . . . . 66 Val CA . 52244 2 179 . 2 . 2 66 66 VAL CB C 13 30.750000 0 . . . . . . . 66 Val CB . 52244 2 180 . 2 . 2 66 66 VAL N N 15 118.260000 0 . . . . . . . 66 Val N . 52244 2 181 . 2 . 2 67 67 ASN H H 1 8.090000 0 . . . . . . . 67 Asn HN . 52244 2 182 . 2 . 2 67 67 ASN C C 13 177.000000 0 . . . . . . . 67 Asn CO . 52244 2 183 . 2 . 2 67 67 ASN CA C 13 57.250000 0 . . . . . . . 67 Asn CA . 52244 2 184 . 2 . 2 67 67 ASN CB C 13 39.490000 0 . . . . . . . 67 Asn CB . 52244 2 185 . 2 . 2 67 67 ASN N N 15 115.830000 0 . . . . . . . 67 Asn N . 52244 2 186 . 2 . 2 68 68 ASP H H 1 8.280000 0 . . . . . . . 68 Asp HN . 52244 2 187 . 2 . 2 68 68 ASP CA C 13 57.770000 0 . . . . . . . 68 Asp CA . 52244 2 188 . 2 . 2 68 68 ASP CB C 13 30.150000 0 . . . . . . . 68 Asp CB . 52244 2 189 . 2 . 2 68 68 ASP N N 15 120.260000 0 . . . . . . . 68 Asp N . 52244 2 190 . 2 . 2 69 69 VAL H H 1 8.190000 0 . . . . . . . 69 Val HN . 52244 2 191 . 2 . 2 69 69 VAL C C 13 177.700000 0 . . . . . . . 69 Val CO . 52244 2 192 . 2 . 2 69 69 VAL CA C 13 66.840000 0 . . . . . . . 69 Val CA . 52244 2 193 . 2 . 2 69 69 VAL CB C 13 30.220000 0 . . . . . . . 69 Val CB . 52244 2 194 . 2 . 2 69 69 VAL N N 15 118.550000 0 . . . . . . . 69 Val N . 52244 2 195 . 2 . 2 70 70 PHE H H 1 8.570000 0 . . . . . . . 70 Phe HN . 52244 2 196 . 2 . 2 70 70 PHE C C 13 176.190000 0 . . . . . . . 70 Phe CO . 52244 2 197 . 2 . 2 70 70 PHE CA C 13 62.360000 0 . . . . . . . 70 Phe CA . 52244 2 198 . 2 . 2 70 70 PHE CB C 13 38.150000 0 . . . . . . . 70 Phe CB . 52244 2 199 . 2 . 2 70 70 PHE N N 15 120.490000 0 . . . . . . . 70 Phe N . 52244 2 200 . 2 . 2 71 71 GLU H H 1 8.360000 0 . . . . . . . 71 Glu HN . 52244 2 201 . 2 . 2 71 71 GLU C C 13 180.570000 0 . . . . . . . 71 Glu CO . 52244 2 202 . 2 . 2 71 71 GLU CA C 13 59.150000 0 . . . . . . . 71 Glu CA . 52244 2 203 . 2 . 2 71 71 GLU CB C 13 28.850000 0 . . . . . . . 71 Glu CB . 52244 2 204 . 2 . 2 71 71 GLU N N 15 117.870000 0 . . . . . . . 71 Glu N . 52244 2 205 . 2 . 2 72 72 ARG C C 13 179.630000 0 . . . . . . . 72 Arg CO . 52244 2 206 . 2 . 2 72 72 ARG CA C 13 58.890000 0 . . . . . . . 72 Arg CA . 52244 2 207 . 2 . 2 72 72 ARG CB C 13 30.130000 0 . . . . . . . 72 Arg CB . 52244 2 208 . 2 . 2 73 73 ILE H H 1 8.390000 0 . . . . . . . 73 Ile HN . 52244 2 209 . 2 . 2 73 73 ILE C C 13 177.040000 0 . . . . . . . 73 Ile CO . 52244 2 210 . 2 . 2 73 73 ILE CA C 13 64.940000 0 . . . . . . . 73 Ile CA . 52244 2 211 . 2 . 2 73 73 ILE CB C 13 36.390000 0 . . . . . . . 73 Ile CB . 52244 2 212 . 2 . 2 73 73 ILE N N 15 119.830000 0 . . . . . . . 73 Ile N . 52244 2 213 . 2 . 2 74 74 ALA H H 1 8.610000 0 . . . . . . . 74 Ala HN . 52244 2 214 . 2 . 2 74 74 ALA C C 13 179.250000 0 . . . . . . . 74 Ala CO . 52244 2 215 . 2 . 2 74 74 ALA CA C 13 55.250000 0 . . . . . . . 74 Ala CA . 52244 2 216 . 2 . 2 74 74 ALA CB C 13 15.670000 0 . . . . . . . 74 Ala CB . 52244 2 217 . 2 . 2 74 74 ALA N N 15 122.290000 0 . . . . . . . 74 Ala N . 52244 2 218 . 2 . 2 75 75 GLY H H 1 8.120000 0 . . . . . . . 75 Gly HN . 52244 2 219 . 2 . 2 75 75 GLY C C 13 176.910000 0 . . . . . . . 75 Gly CO . 52244 2 220 . 2 . 2 75 75 GLY CA C 13 46.520000 0 . . . . . . . 75 Gly CA . 52244 2 221 . 2 . 2 75 75 GLY N N 15 103.990000 0 . . . . . . . 75 Gly N . 52244 2 222 . 2 . 2 76 76 GLU H H 1 7.710000 0 . . . . . . . 76 Glu HN . 52244 2 223 . 2 . 2 76 76 GLU C C 13 178.310000 0 . . . . . . . 76 Glu CO . 52244 2 224 . 2 . 2 76 76 GLU CA C 13 57.800000 0 . . . . . . . 76 Glu CA . 52244 2 225 . 2 . 2 76 76 GLU CB C 13 28.930000 0 . . . . . . . 76 Glu CB . 52244 2 226 . 2 . 2 76 76 GLU N N 15 124.370000 0 . . . . . . . 76 Glu N . 52244 2 227 . 2 . 2 77 77 ALA H H 1 8.730000 0 . . . . . . . 77 Ala HN . 52244 2 228 . 2 . 2 77 77 ALA C C 13 178.890000 0 . . . . . . . 77 Ala CO . 52244 2 229 . 2 . 2 77 77 ALA CA C 13 54.770000 0 . . . . . . . 77 Ala CA . 52244 2 230 . 2 . 2 77 77 ALA CB C 13 16.980000 0 . . . . . . . 77 Ala CB . 52244 2 231 . 2 . 2 77 77 ALA N N 15 122.080000 0 . . . . . . . 77 Ala N . 52244 2 232 . 2 . 2 78 78 SER H H 1 8.210000 0 . . . . . . . 78 Ser HN . 52244 2 233 . 2 . 2 78 78 SER C C 13 177.420000 0 . . . . . . . 78 Ser CO . 52244 2 234 . 2 . 2 78 78 SER CA C 13 60.790000 0 . . . . . . . 78 Ser CA . 52244 2 235 . 2 . 2 78 78 SER CB C 13 63.220000 0 . . . . . . . 78 Ser CB . 52244 2 236 . 2 . 2 78 78 SER N N 15 111.250000 0 . . . . . . . 78 Ser N . 52244 2 237 . 2 . 2 79 79 ARG H H 1 7.800000 0 . . . . . . . 79 Arg HN . 52244 2 238 . 2 . 2 79 79 ARG C C 13 179.500000 0 . . . . . . . 79 Arg CO . 52244 2 239 . 2 . 2 79 79 ARG CA C 13 59.520000 0 . . . . . . . 79 Arg CA . 52244 2 240 . 2 . 2 79 79 ARG CB C 13 28.940000 0 . . . . . . . 79 Arg CB . 52244 2 241 . 2 . 2 79 79 ARG N N 15 122.790000 0 . . . . . . . 79 Arg N . 52244 2 242 . 2 . 2 80 80 LEU H H 1 8.300000 0 . . . . . . . 80 Leu HN . 52244 2 243 . 2 . 2 80 80 LEU C C 13 179.960000 0 . . . . . . . 80 Leu CO . 52244 2 244 . 2 . 2 80 80 LEU CA C 13 57.300000 0 . . . . . . . 80 Leu CA . 52244 2 245 . 2 . 2 80 80 LEU CB C 13 41.150000 0 . . . . . . . 80 Leu CB . 52244 2 246 . 2 . 2 80 80 LEU N N 15 119.920000 0 . . . . . . . 80 Leu N . 52244 2 247 . 2 . 2 81 81 ALA H H 1 8.350000 0 . . . . . . . 81 Ala HN . 52244 2 248 . 2 . 2 81 81 ALA C C 13 179.430000 0 . . . . . . . 81 Ala CO . 52244 2 249 . 2 . 2 81 81 ALA CA C 13 54.720000 0 . . . . . . . 81 Ala CA . 52244 2 250 . 2 . 2 81 81 ALA CB C 13 17.010000 0 . . . . . . . 81 Ala CB . 52244 2 251 . 2 . 2 81 81 ALA N N 15 122.770000 0 . . . . . . . 81 Ala N . 52244 2 252 . 2 . 2 82 82 HIS H H 1 7.990000 0 . . . . . . . 82 His HN . 52244 2 253 . 2 . 2 82 82 HIS C C 13 178.490000 0 . . . . . . . 82 His CO . 52244 2 254 . 2 . 2 82 82 HIS CA C 13 59.030000 0 . . . . . . . 82 His CA . 52244 2 255 . 2 . 2 82 82 HIS CB C 13 28.950000 0 . . . . . . . 82 His CB . 52244 2 256 . 2 . 2 82 82 HIS N N 15 116.400000 0 . . . . . . . 82 His N . 52244 2 257 . 2 . 2 83 83 TYR H H 1 8.390000 0 . . . . . . . 83 Tyr HN . 52244 2 258 . 2 . 2 83 83 TYR C C 13 176.680000 0 . . . . . . . 83 Tyr CO . 52244 2 259 . 2 . 2 83 83 TYR CA C 13 59.950000 0 . . . . . . . 83 Tyr CA . 52244 2 260 . 2 . 2 83 83 TYR CB C 13 37.560000 0 . . . . . . . 83 Tyr CB . 52244 2 261 . 2 . 2 83 83 TYR N N 15 121.090000 0 . . . . . . . 83 Tyr N . 52244 2 262 . 2 . 2 84 84 ASN H H 1 7.680000 0 . . . . . . . 84 Asn HN . 52244 2 263 . 2 . 2 84 84 ASN C C 13 174.000000 0 . . . . . . . 84 Asn CO . 52244 2 264 . 2 . 2 84 84 ASN CA C 13 52.740000 0 . . . . . . . 84 Asn CA . 52244 2 265 . 2 . 2 84 84 ASN CB C 13 38.950000 0 . . . . . . . 84 Asn CB . 52244 2 266 . 2 . 2 84 84 ASN N N 15 115.890000 0 . . . . . . . 84 Asn N . 52244 2 267 . 2 . 2 87 87 SER C C 13 173.050000 0 . . . . . . . 87 Ser CO . 52244 2 268 . 2 . 2 87 87 SER CA C 13 58.070000 0 . . . . . . . 87 Ser CA . 52244 2 269 . 2 . 2 87 87 SER CB C 13 62.820000 0 . . . . . . . 87 Ser CB . 52244 2 270 . 2 . 2 88 88 THR H H 1 7.370000 0 . . . . . . . 88 Thr HN . 52244 2 271 . 2 . 2 88 88 THR C C 13 173.820000 0 . . . . . . . 88 Thr CO . 52244 2 272 . 2 . 2 88 88 THR CA C 13 59.850000 0 . . . . . . . 88 Thr CA . 52244 2 273 . 2 . 2 88 88 THR CB C 13 70.840000 0 . . . . . . . 88 Thr CB . 52244 2 274 . 2 . 2 88 88 THR N N 15 115.850000 0 . . . . . . . 88 Thr N . 52244 2 275 . 2 . 2 89 89 ILE H H 1 8.040000 0 . . . . . . . 89 Ile HN . 52244 2 276 . 2 . 2 89 89 ILE C C 13 173.550000 0 . . . . . . . 89 Ile CO . 52244 2 277 . 2 . 2 89 89 ILE CA C 13 61.240000 0 . . . . . . . 89 Ile CA . 52244 2 278 . 2 . 2 89 89 ILE CB C 13 38.820000 0 . . . . . . . 89 Ile CB . 52244 2 279 . 2 . 2 89 89 ILE N N 15 123.810000 0 . . . . . . . 89 Ile N . 52244 2 280 . 2 . 2 90 90 THR H H 1 9.280000 0 . . . . . . . 90 Thr HN . 52244 2 281 . 2 . 2 90 90 THR C C 13 176.220000 0 . . . . . . . 90 Thr CO . 52244 2 282 . 2 . 2 90 90 THR CA C 13 59.820000 0 . . . . . . . 90 Thr CA . 52244 2 283 . 2 . 2 90 90 THR CB C 13 73.100000 0 . . . . . . . 90 Thr CB . 52244 2 284 . 2 . 2 90 90 THR N N 15 121.060000 0 . . . . . . . 90 Thr N . 52244 2 285 . 2 . 2 91 91 SER C C 13 174.470000 0 . . . . . . . 91 Ser CO . 52244 2 286 . 2 . 2 91 91 SER CA C 13 62.030000 0 . . . . . . . 91 Ser CA . 52244 2 287 . 2 . 2 92 92 ARG H H 1 7.830000 0 . . . . . . . 92 Arg HN . 52244 2 288 . 2 . 2 92 92 ARG C C 13 178.440000 0 . . . . . . . 92 Arg CO . 52244 2 289 . 2 . 2 92 92 ARG CA C 13 58.950000 0 . . . . . . . 92 Arg CA . 52244 2 290 . 2 . 2 92 92 ARG CB C 13 28.860000 0 . . . . . . . 92 Arg CB . 52244 2 291 . 2 . 2 92 92 ARG N N 15 122.580000 0 . . . . . . . 92 Arg N . 52244 2 292 . 2 . 2 93 93 GLU H H 1 7.440000 0 . . . . . . . 93 Glu HN . 52244 2 293 . 2 . 2 93 93 GLU C C 13 178.470000 0 . . . . . . . 93 Glu CO . 52244 2 294 . 2 . 2 93 93 GLU CA C 13 61.090000 0 . . . . . . . 93 Glu CA . 52244 2 295 . 2 . 2 93 93 GLU CB C 13 28.410000 0 . . . . . . . 93 Glu CB . 52244 2 296 . 2 . 2 93 93 GLU N N 15 119.560000 0 . . . . . . . 93 Glu N . 52244 2 297 . 2 . 2 94 94 ILE H H 1 7.110000 0 . . . . . . . 94 Ile HN . 52244 2 298 . 2 . 2 94 94 ILE C C 13 176.320000 0 . . . . . . . 94 Ile CO . 52244 2 299 . 2 . 2 94 94 ILE CA C 13 61.890000 0 . . . . . . . 94 Ile CA . 52244 2 300 . 2 . 2 94 94 ILE CB C 13 33.640000 0 . . . . . . . 94 Ile CB . 52244 2 301 . 2 . 2 94 94 ILE N N 15 116.360000 0 . . . . . . . 94 Ile N . 52244 2 302 . 2 . 2 95 95 GLN H H 1 7.920000 0 . . . . . . . 95 Gln HN . 52244 2 303 . 2 . 2 95 95 GLN C C 13 177.320000 0 . . . . . . . 95 Gln CO . 52244 2 304 . 2 . 2 95 95 GLN CA C 13 59.650000 0 . . . . . . . 95 Gln CA . 52244 2 305 . 2 . 2 95 95 GLN CB C 13 28.290000 0 . . . . . . . 95 Gln CB . 52244 2 306 . 2 . 2 95 95 GLN N N 15 119.770000 0 . . . . . . . 95 Gln N . 52244 2 307 . 2 . 2 96 96 THR H H 1 8.060000 0 . . . . . . . 96 Thr HN . 52244 2 308 . 2 . 2 96 96 THR C C 13 175.720000 0 . . . . . . . 96 Thr CO . 52244 2 309 . 2 . 2 96 96 THR CA C 13 66.370000 0 . . . . . . . 96 Thr CA . 52244 2 310 . 2 . 2 96 96 THR CB C 13 68.180000 0 . . . . . . . 96 Thr CB . 52244 2 311 . 2 . 2 96 96 THR N N 15 115.850000 0 . . . . . . . 96 Thr N . 52244 2 312 . 2 . 2 97 97 ALA H H 1 7.840000 0 . . . . . . . 97 Ala HN . 52244 2 313 . 2 . 2 97 97 ALA C C 13 178.980000 0 . . . . . . . 97 Ala CO . 52244 2 314 . 2 . 2 97 97 ALA CA C 13 55.480000 0 . . . . . . . 97 Ala CA . 52244 2 315 . 2 . 2 97 97 ALA CB C 13 18.890000 0 . . . . . . . 97 Ala CB . 52244 2 316 . 2 . 2 97 97 ALA N N 15 123.370000 0 . . . . . . . 97 Ala N . 52244 2 317 . 2 . 2 98 98 VAL H H 1 8.480000 0 . . . . . . . 98 Val HN . 52244 2 318 . 2 . 2 98 98 VAL C C 13 177.050000 0 . . . . . . . 98 Val CO . 52244 2 319 . 2 . 2 98 98 VAL CA C 13 66.820000 0 . . . . . . . 98 Val CA . 52244 2 320 . 2 . 2 98 98 VAL CB C 13 30.200000 0 . . . . . . . 98 Val CB . 52244 2 321 . 2 . 2 98 98 VAL N N 15 118.310000 0 . . . . . . . 98 Val N . 52244 2 322 . 2 . 2 99 99 ARG H H 1 7.860000 0 . . . . . . . 99 Arg HN . 52244 2 323 . 2 . 2 99 99 ARG C C 13 178.240000 0 . . . . . . . 99 Arg CO . 52244 2 324 . 2 . 2 99 99 ARG CA C 13 58.850000 0 . . . . . . . 99 Arg CA . 52244 2 325 . 2 . 2 99 99 ARG CB C 13 29.340000 0 . . . . . . . 99 Arg CB . 52244 2 326 . 2 . 2 99 99 ARG N N 15 117.270000 0 . . . . . . . 99 Arg N . 52244 2 327 . 2 . 2 100 100 LEU H H 1 7.740000 0 . . . . . . . 100 Leu HN . 52244 2 328 . 2 . 2 100 100 LEU C C 13 179.160000 0 . . . . . . . 100 Leu CO . 52244 2 329 . 2 . 2 100 100 LEU CA C 13 56.460000 0 . . . . . . . 100 Leu CA . 52244 2 330 . 2 . 2 100 100 LEU CB C 13 41.730000 0 . . . . . . . 100 Leu CB . 52244 2 331 . 2 . 2 100 100 LEU N N 15 118.180000 0 . . . . . . . 100 Leu N . 52244 2 332 . 2 . 2 101 101 LEU H H 1 7.840000 0 . . . . . . . 101 Leu HN . 52244 2 333 . 2 . 2 101 101 LEU CA C 13 55.700000 0 . . . . . . . 101 Leu CA . 52244 2 334 . 2 . 2 101 101 LEU CB C 13 43.640000 0 . . . . . . . 101 Leu CB . 52244 2 335 . 2 . 2 101 101 LEU N N 15 117.910000 0 . . . . . . . 101 Leu N . 52244 2 336 . 2 . 2 103 103 PRO C C 13 177.030000 0 . . . . . . . 103 Pro CO . 52244 2 337 . 2 . 2 103 103 PRO CA C 13 61.860000 0 . . . . . . . 103 Pro CA . 52244 2 338 . 2 . 2 103 103 PRO CB C 13 31.320000 0 . . . . . . . 103 Pro CB . 52244 2 339 . 2 . 2 104 104 GLY H H 1 8.140000 0 . . . . . . . 104 Gly HN . 52244 2 340 . 2 . 2 104 104 GLY C C 13 176.170000 0 . . . . . . . 104 Gly CO . 52244 2 341 . 2 . 2 104 104 GLY CA C 13 47.460000 0 . . . . . . . 104 Gly CA . 52244 2 342 . 2 . 2 104 104 GLY N N 15 105.700000 0 . . . . . . . 104 Gly N . 52244 2 343 . 2 . 2 105 105 GLU H H 1 10.170000 0 . . . . . . . 105 Glu HN . 52244 2 344 . 2 . 2 105 105 GLU C C 13 178.740000 0 . . . . . . . 105 Glu CO . 52244 2 345 . 2 . 2 105 105 GLU CA C 13 58.480000 0 . . . . . . . 105 Glu CA . 52244 2 346 . 2 . 2 105 105 GLU CB C 13 28.290000 0 . . . . . . . 105 Glu CB . 52244 2 347 . 2 . 2 105 105 GLU N N 15 128.820000 0 . . . . . . . 105 Glu N . 52244 2 348 . 2 . 2 106 106 LEU C C 13 179.310000 0 . . . . . . . 106 Leu CO . 52244 2 349 . 2 . 2 106 106 LEU CA C 13 57.300000 0 . . . . . . . 106 Leu CA . 52244 2 350 . 2 . 2 106 106 LEU CB C 13 41.650000 0 . . . . . . . 106 Leu CB . 52244 2 351 . 2 . 2 107 107 ALA H H 1 7.610000 0 . . . . . . . 107 Ala HN . 52244 2 352 . 2 . 2 107 107 ALA C C 13 179.100000 0 . . . . . . . 107 Ala CO . 52244 2 353 . 2 . 2 107 107 ALA CA C 13 54.890000 0 . . . . . . . 107 Ala CA . 52244 2 354 . 2 . 2 107 107 ALA CB C 13 17.830000 0 . . . . . . . 107 Ala CB . 52244 2 355 . 2 . 2 107 107 ALA N N 15 118.590000 0 . . . . . . . 107 Ala N . 52244 2 356 . 2 . 2 108 108 LYS H H 1 7.190000 0 . . . . . . . 108 Lys HN . 52244 2 357 . 2 . 2 108 108 LYS C C 13 180.010000 0 . . . . . . . 108 Lys CO . 52244 2 358 . 2 . 2 108 108 LYS CA C 13 59.170000 0 . . . . . . . 108 Lys CA . 52244 2 359 . 2 . 2 108 108 LYS CB C 13 31.330000 0 . . . . . . . 108 Lys CB . 52244 2 360 . 2 . 2 108 108 LYS N N 15 117.050000 0 . . . . . . . 108 Lys N . 52244 2 361 . 2 . 2 109 109 HIS H H 1 7.970000 0 . . . . . . . 109 His HN . 52244 2 362 . 2 . 2 109 109 HIS C C 13 177.270000 0 . . . . . . . 109 His CO . 52244 2 363 . 2 . 2 109 109 HIS CA C 13 58.640000 0 . . . . . . . 109 His CA . 52244 2 364 . 2 . 2 109 109 HIS CB C 13 29.210000 0 . . . . . . . 109 His CB . 52244 2 365 . 2 . 2 109 109 HIS N N 15 118.880000 0 . . . . . . . 109 His N . 52244 2 366 . 2 . 2 110 110 ALA H H 1 8.440000 0 . . . . . . . 110 Ala HN . 52244 2 367 . 2 . 2 110 110 ALA C C 13 179.070000 0 . . . . . . . 110 Ala CO . 52244 2 368 . 2 . 2 110 110 ALA CA C 13 55.280000 0 . . . . . . . 110 Ala CA . 52244 2 369 . 2 . 2 110 110 ALA CB C 13 18.440000 0 . . . . . . . 110 Ala CB . 52244 2 370 . 2 . 2 110 110 ALA N N 15 123.230000 0 . . . . . . . 110 Ala N . 52244 2 371 . 2 . 2 111 111 VAL H H 1 8.170000 0 . . . . . . . 111 Val HN . 52244 2 372 . 2 . 2 111 111 VAL C C 13 179.800000 0 . . . . . . . 111 Val CO . 52244 2 373 . 2 . 2 111 111 VAL CA C 13 64.110000 0 . . . . . . . 111 Val CA . 52244 2 374 . 2 . 2 111 111 VAL CB C 13 30.670000 0 . . . . . . . 111 Val CB . 52244 2 375 . 2 . 2 111 111 VAL N N 15 117.170000 0 . . . . . . . 111 Val N . 52244 2 376 . 2 . 2 112 112 SER H H 1 7.450000 0 . . . . . . . 112 Ser HN . 52244 2 377 . 2 . 2 112 112 SER C C 13 177.170000 0 . . . . . . . 112 Ser CO . 52244 2 378 . 2 . 2 112 112 SER CA C 13 61.250000 0 . . . . . . . 112 Ser CA . 52244 2 379 . 2 . 2 112 112 SER CB C 13 62.570000 0 . . . . . . . 112 Ser CB . 52244 2 380 . 2 . 2 112 112 SER N N 15 117.760000 0 . . . . . . . 112 Ser N . 52244 2 381 . 2 . 2 113 113 GLU H H 1 8.140000 0 . . . . . . . 113 Glu HN . 52244 2 382 . 2 . 2 113 113 GLU C C 13 180.080000 0 . . . . . . . 113 Glu CO . 52244 2 383 . 2 . 2 113 113 GLU CA C 13 58.340000 0 . . . . . . . 113 Glu CA . 52244 2 384 . 2 . 2 113 113 GLU CB C 13 27.830000 0 . . . . . . . 113 Glu CB . 52244 2 385 . 2 . 2 113 113 GLU N N 15 119.870000 0 . . . . . . . 113 Glu N . 52244 2 386 . 2 . 2 114 114 GLY H H 1 8.640000 0 . . . . . . . 114 Gly HN . 52244 2 387 . 2 . 2 114 114 GLY C C 13 174.700000 0 . . . . . . . 114 Gly CO . 52244 2 388 . 2 . 2 114 114 GLY CA C 13 46.360000 0 . . . . . . . 114 Gly CA . 52244 2 389 . 2 . 2 114 114 GLY N N 15 109.570000 0 . . . . . . . 114 Gly N . 52244 2 390 . 2 . 2 115 115 THR H H 1 7.990000 0 . . . . . . . 115 Thr HN . 52244 2 391 . 2 . 2 115 115 THR C C 13 177.490000 0 . . . . . . . 115 Thr CO . 52244 2 392 . 2 . 2 115 115 THR CA C 13 66.270000 0 . . . . . . . 115 Thr CA . 52244 2 393 . 2 . 2 115 115 THR CB C 13 68.420000 0 . . . . . . . 115 Thr CB . 52244 2 394 . 2 . 2 115 115 THR N N 15 116.860000 0 . . . . . . . 115 Thr N . 52244 2 395 . 2 . 2 116 116 LYS H H 1 7.920000 0 . . . . . . . 116 Lys HN . 52244 2 396 . 2 . 2 116 116 LYS C C 13 178.800000 0 . . . . . . . 116 Lys CO . 52244 2 397 . 2 . 2 116 116 LYS CA C 13 59.260000 0 . . . . . . . 116 Lys CA . 52244 2 398 . 2 . 2 116 116 LYS CB C 13 31.360000 0 . . . . . . . 116 Lys CB . 52244 2 399 . 2 . 2 116 116 LYS N N 15 123.030000 0 . . . . . . . 116 Lys N . 52244 2 400 . 2 . 2 117 117 ALA H H 1 7.680000 0 . . . . . . . 117 Ala HN . 52244 2 401 . 2 . 2 117 117 ALA C C 13 179.900000 0 . . . . . . . 117 Ala CO . 52244 2 402 . 2 . 2 117 117 ALA CA C 13 54.740000 0 . . . . . . . 117 Ala CA . 52244 2 403 . 2 . 2 117 117 ALA CB C 13 18.260000 0 . . . . . . . 117 Ala CB . 52244 2 404 . 2 . 2 117 117 ALA N N 15 121.680000 0 . . . . . . . 117 Ala N . 52244 2 405 . 2 . 2 118 118 VAL H H 1 8.080000 0 . . . . . . . 118 Val HN . 52244 2 406 . 2 . 2 118 118 VAL C C 13 178.910000 0 . . . . . . . 118 Val CO . 52244 2 407 . 2 . 2 118 118 VAL CA C 13 66.500000 0 . . . . . . . 118 Val CA . 52244 2 408 . 2 . 2 118 118 VAL CB C 13 30.760000 0 . . . . . . . 118 Val CB . 52244 2 409 . 2 . 2 118 118 VAL N N 15 117.900000 0 . . . . . . . 118 Val N . 52244 2 410 . 2 . 2 119 119 THR H H 1 8.010000 0 . . . . . . . 119 Thr HN . 52244 2 411 . 2 . 2 119 119 THR C C 13 175.970000 0 . . . . . . . 119 Thr CO . 52244 2 412 . 2 . 2 119 119 THR CA C 13 65.810000 0 . . . . . . . 119 Thr CA . 52244 2 413 . 2 . 2 119 119 THR CB C 13 68.360000 0 . . . . . . . 119 Thr CB . 52244 2 414 . 2 . 2 119 119 THR N N 15 117.300000 0 . . . . . . . 119 Thr N . 52244 2 415 . 2 . 2 120 120 LYS H H 1 7.820000 0 . . . . . . . 120 Lys HN . 52244 2 416 . 2 . 2 120 120 LYS C C 13 178.250000 0 . . . . . . . 120 Lys CO . 52244 2 417 . 2 . 2 120 120 LYS CA C 13 58.240000 0 . . . . . . . 120 Lys CA . 52244 2 418 . 2 . 2 120 120 LYS CB C 13 31.950000 0 . . . . . . . 120 Lys CB . 52244 2 419 . 2 . 2 120 120 LYS N N 15 121.360000 0 . . . . . . . 120 Lys N . 52244 2 420 . 2 . 2 121 121 TYR H H 1 8.200000 0 . . . . . . . 121 Tyr HN . 52244 2 421 . 2 . 2 121 121 TYR C C 13 176.840000 0 . . . . . . . 121 Tyr CO . 52244 2 422 . 2 . 2 121 121 TYR CA C 13 59.480000 0 . . . . . . . 121 Tyr CA . 52244 2 423 . 2 . 2 121 121 TYR CB C 13 38.360000 0 . . . . . . . 121 Tyr CB . 52244 2 424 . 2 . 2 121 121 TYR N N 15 118.170000 0 . . . . . . . 121 Tyr N . 52244 2 425 . 2 . 2 122 122 THR H H 1 7.920000 0 . . . . . . . 122 Thr HN . 52244 2 426 . 2 . 2 122 122 THR C C 13 174.630000 0 . . . . . . . 122 Thr CO . 52244 2 427 . 2 . 2 122 122 THR CA C 13 62.240000 0 . . . . . . . 122 Thr CA . 52244 2 428 . 2 . 2 122 122 THR CB C 13 69.530000 0 . . . . . . . 122 Thr CB . 52244 2 429 . 2 . 2 122 122 THR N N 15 112.440000 0 . . . . . . . 122 Thr N . 52244 2 430 . 2 . 2 123 123 SER H H 1 7.930000 0 . . . . . . . 123 Ser HN . 52244 2 431 . 2 . 2 123 123 SER C C 13 174.030000 0 . . . . . . . 123 Ser CO . 52244 2 432 . 2 . 2 123 123 SER CA C 13 58.340000 0 . . . . . . . 123 Ser CA . 52244 2 433 . 2 . 2 123 123 SER CB C 13 63.240000 0 . . . . . . . 123 Ser CB . 52244 2 434 . 2 . 2 123 123 SER N N 15 117.560000 0 . . . . . . . 123 Ser N . 52244 2 435 . 2 . 2 124 124 ALA H H 1 8.050000 0 . . . . . . . 124 Ala HN . 52244 2 436 . 2 . 2 124 124 ALA C C 13 176.600000 0 . . . . . . . 124 Ala CO . 52244 2 437 . 2 . 2 124 124 ALA CA C 13 52.240000 0 . . . . . . . 124 Ala CA . 52244 2 438 . 2 . 2 124 124 ALA CB C 13 18.490000 0 . . . . . . . 124 Ala CB . 52244 2 439 . 2 . 2 124 124 ALA N N 15 126.700000 0 . . . . . . . 124 Ala N . 52244 2 440 . 2 . 2 125 125 LYS H H 1 7.810000 0 . . . . . . . 125 Lys HN . 52244 2 441 . 2 . 2 125 125 LYS C C 13 181.470000 0 . . . . . . . 125 Lys CO . 52244 2 442 . 2 . 2 125 125 LYS CA C 13 57.220000 0 . . . . . . . 125 Lys CA . 52244 2 443 . 2 . 2 125 125 LYS CB C 13 32.710000 0 . . . . . . . 125 Lys CB . 52244 2 444 . 2 . 2 125 125 LYS N N 15 126.210000 0 . . . . . . . 125 Lys N . 52244 2 stop_ save_