data_27708 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27708 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignment of myristoylated SH4-Unique-SH3 domains or myrUSH3 AAA (2-150; L63A, F64A, G65A) of human SRC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-30 _Entry.Accession_date 2018-11-30 _Entry.Last_release_date 2018-11-30 _Entry.Original_release_date 2018-11-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 'Anabel Lise' 'Le Roux' . . . . 27708 2 Irrem-Laareb Mohammad . . . . 27708 3 Borja Mateos . . . . 27708 4 Miguel Arbesu . . . . 27708 5 Margarida Gairi . . . . 27708 6 Farman Khan . . . . 27708 7 Joao Teixeira . M.C. . . 27708 8 Miquel Pons . . . . 27708 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'BioNMR Laboratory. Universitat de Barcelona' . 27708 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27708 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 27708 '15N chemical shifts' 169 27708 '1H chemical shifts' 169 27708 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-02-14 2018-11-30 update BMRB 'update entry citation' 27708 1 . . 2019-01-02 2018-11-30 original author 'original release' 27708 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27708 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30690395 _Citation.Full_citation . _Citation.Title ; A myristoyl binding site in the SH3 domain modulates c-Src membrane anchoring ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev iScience _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2589-0042 _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 194 _Citation.Page_last 203 _Citation.Year 2019 _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 'Anabel Lise' 'Le Roux' . . . . 27708 1 2 Irrem-Laareb Mohammad . . . . 27708 1 3 Borja Mateos . . . . 27708 1 4 Miguel Arbesu . . . . 27708 1 5 Margarida Gairi . . . . 27708 1 6 Farman Khan . . . . 27708 1 7 Joao Teixeira . M.C. . . 27708 1 8 Miquel Pons . . . . 27708 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'MyrUSH3 AAA' 27708 1 NMR 27708 1 c-Src 27708 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27708 _Assembly.ID 1 _Assembly.Name 'myrUSH3 AAA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'myrUSH3 AAA' 1 $myrUSH3_AAA A . yes native no no . . . 27708 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_myrUSH3_AAA _Entity.Sf_category entity _Entity.Sf_framecode myrUSH3_AAA _Entity.Entry_ID 27708 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name myrUSH3_AAA _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 ; mGSNKSKPKNASQRRRSLEP AENVHGAGGGAFPASQTPSK PASADGHRGPSAAFAPAAAE PKAAAGFNSSDTVTSPQRAG PLAGGVTTFVALYDYESRTE TDLSFKKGERLQIVNNTEGD WWLAHSLSTGQTGYIPSNYV APSDSIQAEEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first residue in the entity is a myristoylated Gly (mG) which correspond to residue 2 in the sequence ; Residues 151-156 represent a non-native affinity tag ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'myristoylated N-terminal region (2-150; L63A, F64A, G65A) of human c-Src' _Entity.Mutation ; L63A F64A G65A ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 UniProt P12931 . 'SRC human' . . . . . . . . . . . . . . 27708 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'non-receptor protein tyrosine kinase' 27708 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27708 1 2 2 GLY . 27708 1 3 3 SER . 27708 1 4 4 ASN . 27708 1 5 5 LYS . 27708 1 6 6 SER . 27708 1 7 7 LYS . 27708 1 8 8 PRO . 27708 1 9 9 LYS . 27708 1 10 10 ASN . 27708 1 11 11 ALA . 27708 1 12 12 SER . 27708 1 13 13 GLN . 27708 1 14 14 ARG . 27708 1 15 15 ARG . 27708 1 16 16 ARG . 27708 1 17 17 SER . 27708 1 18 18 LEU . 27708 1 19 19 GLU . 27708 1 20 20 PRO . 27708 1 21 21 ALA . 27708 1 22 22 GLU . 27708 1 23 23 ASN . 27708 1 24 24 VAL . 27708 1 25 25 HIS . 27708 1 26 26 GLY . 27708 1 27 27 ALA . 27708 1 28 28 GLY . 27708 1 29 29 GLY . 27708 1 30 30 GLY . 27708 1 31 31 ALA . 27708 1 32 32 PHE . 27708 1 33 33 PRO . 27708 1 34 34 ALA . 27708 1 35 35 SER . 27708 1 36 36 GLN . 27708 1 37 37 THR . 27708 1 38 38 PRO . 27708 1 39 39 SER . 27708 1 40 40 LYS . 27708 1 41 41 PRO . 27708 1 42 42 ALA . 27708 1 43 43 SER . 27708 1 44 44 ALA . 27708 1 45 45 ASP . 27708 1 46 46 GLY . 27708 1 47 47 HIS . 27708 1 48 48 ARG . 27708 1 49 49 GLY . 27708 1 50 50 PRO . 27708 1 51 51 SER . 27708 1 52 52 ALA . 27708 1 53 53 ALA . 27708 1 54 54 PHE . 27708 1 55 55 ALA . 27708 1 56 56 PRO . 27708 1 57 57 ALA . 27708 1 58 58 ALA . 27708 1 59 59 ALA . 27708 1 60 60 GLU . 27708 1 61 61 PRO . 27708 1 62 62 LYS . 27708 1 63 63 ALA . 27708 1 64 64 ALA . 27708 1 65 65 ALA . 27708 1 66 66 GLY . 27708 1 67 67 PHE . 27708 1 68 68 ASN . 27708 1 69 69 SER . 27708 1 70 70 SER . 27708 1 71 71 ASP . 27708 1 72 72 THR . 27708 1 73 73 VAL . 27708 1 74 74 THR . 27708 1 75 75 SER . 27708 1 76 76 PRO . 27708 1 77 77 GLN . 27708 1 78 78 ARG . 27708 1 79 79 ALA . 27708 1 80 80 GLY . 27708 1 81 81 PRO . 27708 1 82 82 LEU . 27708 1 83 83 ALA . 27708 1 84 84 GLY . 27708 1 85 85 GLY . 27708 1 86 86 VAL . 27708 1 87 87 THR . 27708 1 88 88 THR . 27708 1 89 89 PHE . 27708 1 90 90 VAL . 27708 1 91 91 ALA . 27708 1 92 92 LEU . 27708 1 93 93 TYR . 27708 1 94 94 ASP . 27708 1 95 95 TYR . 27708 1 96 96 GLU . 27708 1 97 97 SER . 27708 1 98 98 ARG . 27708 1 99 99 THR . 27708 1 100 100 GLU . 27708 1 101 101 THR . 27708 1 102 102 ASP . 27708 1 103 103 LEU . 27708 1 104 104 SER . 27708 1 105 105 PHE . 27708 1 106 106 LYS . 27708 1 107 107 LYS . 27708 1 108 108 GLY . 27708 1 109 109 GLU . 27708 1 110 110 ARG . 27708 1 111 111 LEU . 27708 1 112 112 GLN . 27708 1 113 113 ILE . 27708 1 114 114 VAL . 27708 1 115 115 ASN . 27708 1 116 116 ASN . 27708 1 117 117 THR . 27708 1 118 118 GLU . 27708 1 119 119 GLY . 27708 1 120 120 ASP . 27708 1 121 121 TRP . 27708 1 122 122 TRP . 27708 1 123 123 LEU . 27708 1 124 124 ALA . 27708 1 125 125 HIS . 27708 1 126 126 SER . 27708 1 127 127 LEU . 27708 1 128 128 SER . 27708 1 129 129 THR . 27708 1 130 130 GLY . 27708 1 131 131 GLN . 27708 1 132 132 THR . 27708 1 133 133 GLY . 27708 1 134 134 TYR . 27708 1 135 135 ILE . 27708 1 136 136 PRO . 27708 1 137 137 SER . 27708 1 138 138 ASN . 27708 1 139 139 TYR . 27708 1 140 140 VAL . 27708 1 141 141 ALA . 27708 1 142 142 PRO . 27708 1 143 143 SER . 27708 1 144 144 ASP . 27708 1 145 145 SER . 27708 1 146 146 ILE . 27708 1 147 147 GLN . 27708 1 148 148 ALA . 27708 1 149 149 GLU . 27708 1 150 150 GLU . 27708 1 151 151 HIS . 27708 1 152 152 HIS . 27708 1 153 153 HIS . 27708 1 154 154 HIS . 27708 1 155 155 HIS . 27708 1 156 156 HIS . 27708 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27708 1 . GLY 2 2 27708 1 . SER 3 3 27708 1 . ASN 4 4 27708 1 . LYS 5 5 27708 1 . SER 6 6 27708 1 . LYS 7 7 27708 1 . PRO 8 8 27708 1 . LYS 9 9 27708 1 . ASN 10 10 27708 1 . ALA 11 11 27708 1 . SER 12 12 27708 1 . GLN 13 13 27708 1 . ARG 14 14 27708 1 . ARG 15 15 27708 1 . ARG 16 16 27708 1 . SER 17 17 27708 1 . LEU 18 18 27708 1 . GLU 19 19 27708 1 . PRO 20 20 27708 1 . ALA 21 21 27708 1 . GLU 22 22 27708 1 . ASN 23 23 27708 1 . VAL 24 24 27708 1 . HIS 25 25 27708 1 . GLY 26 26 27708 1 . ALA 27 27 27708 1 . GLY 28 28 27708 1 . GLY 29 29 27708 1 . GLY 30 30 27708 1 . ALA 31 31 27708 1 . PHE 32 32 27708 1 . PRO 33 33 27708 1 . ALA 34 34 27708 1 . SER 35 35 27708 1 . GLN 36 36 27708 1 . THR 37 37 27708 1 . PRO 38 38 27708 1 . SER 39 39 27708 1 . LYS 40 40 27708 1 . PRO 41 41 27708 1 . ALA 42 42 27708 1 . SER 43 43 27708 1 . ALA 44 44 27708 1 . ASP 45 45 27708 1 . GLY 46 46 27708 1 . HIS 47 47 27708 1 . ARG 48 48 27708 1 . GLY 49 49 27708 1 . PRO 50 50 27708 1 . SER 51 51 27708 1 . ALA 52 52 27708 1 . ALA 53 53 27708 1 . PHE 54 54 27708 1 . ALA 55 55 27708 1 . PRO 56 56 27708 1 . ALA 57 57 27708 1 . ALA 58 58 27708 1 . ALA 59 59 27708 1 . GLU 60 60 27708 1 . PRO 61 61 27708 1 . LYS 62 62 27708 1 . ALA 63 63 27708 1 . ALA 64 64 27708 1 . ALA 65 65 27708 1 . GLY 66 66 27708 1 . PHE 67 67 27708 1 . ASN 68 68 27708 1 . SER 69 69 27708 1 . SER 70 70 27708 1 . ASP 71 71 27708 1 . THR 72 72 27708 1 . VAL 73 73 27708 1 . THR 74 74 27708 1 . SER 75 75 27708 1 . PRO 76 76 27708 1 . GLN 77 77 27708 1 . ARG 78 78 27708 1 . ALA 79 79 27708 1 . GLY 80 80 27708 1 . PRO 81 81 27708 1 . LEU 82 82 27708 1 . ALA 83 83 27708 1 . GLY 84 84 27708 1 . GLY 85 85 27708 1 . VAL 86 86 27708 1 . THR 87 87 27708 1 . THR 88 88 27708 1 . PHE 89 89 27708 1 . VAL 90 90 27708 1 . ALA 91 91 27708 1 . LEU 92 92 27708 1 . TYR 93 93 27708 1 . ASP 94 94 27708 1 . TYR 95 95 27708 1 . GLU 96 96 27708 1 . SER 97 97 27708 1 . ARG 98 98 27708 1 . THR 99 99 27708 1 . GLU 100 100 27708 1 . THR 101 101 27708 1 . ASP 102 102 27708 1 . LEU 103 103 27708 1 . SER 104 104 27708 1 . PHE 105 105 27708 1 . LYS 106 106 27708 1 . LYS 107 107 27708 1 . GLY 108 108 27708 1 . GLU 109 109 27708 1 . ARG 110 110 27708 1 . LEU 111 111 27708 1 . GLN 112 112 27708 1 . ILE 113 113 27708 1 . VAL 114 114 27708 1 . ASN 115 115 27708 1 . ASN 116 116 27708 1 . THR 117 117 27708 1 . GLU 118 118 27708 1 . GLY 119 119 27708 1 . ASP 120 120 27708 1 . TRP 121 121 27708 1 . TRP 122 122 27708 1 . LEU 123 123 27708 1 . ALA 124 124 27708 1 . HIS 125 125 27708 1 . SER 126 126 27708 1 . LEU 127 127 27708 1 . SER 128 128 27708 1 . THR 129 129 27708 1 . GLY 130 130 27708 1 . GLN 131 131 27708 1 . THR 132 132 27708 1 . GLY 133 133 27708 1 . TYR 134 134 27708 1 . ILE 135 135 27708 1 . PRO 136 136 27708 1 . SER 137 137 27708 1 . ASN 138 138 27708 1 . TYR 139 139 27708 1 . VAL 140 140 27708 1 . ALA 141 141 27708 1 . PRO 142 142 27708 1 . SER 143 143 27708 1 . ASP 144 144 27708 1 . SER 145 145 27708 1 . ILE 146 146 27708 1 . GLN 147 147 27708 1 . ALA 148 148 27708 1 . GLU 149 149 27708 1 . GLU 150 150 27708 1 . HIS 151 151 27708 1 . HIS 152 152 27708 1 . HIS 153 153 27708 1 . HIS 154 154 27708 1 . HIS 155 155 27708 1 . HIS 156 156 27708 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27708 _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 $myrUSH3_AAA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . 'Isoform 1 / 62LFG65 to AAA mutant' . . . . . . . . . SRC . 27708 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27708 _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 $myrUSH3_AAA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3)pLysS . . . . pETDuet-1 . . . 27708 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27708 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'myrUSH3 AAA' '[U-13C; U-15N]' . . 1 $myrUSH3_AAA . . 135 120 150 uM . . . . 27708 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27708 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27708 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 27708 1 pH 7 . pH 27708 1 pressure 1 . atm 27708 1 temperature 298 . K 27708 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27708 _Sample_condition_list.ID 2 _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' 50 . mM 27708 2 pH 7 . pH 27708 2 pressure 1 . atm 27708 2 temperature 278 . K 27708 2 stop_ save_ ############################ # Computer software used # ############################ save_TANSY _Software.Sf_category software _Software.Sf_framecode TANSY _Software.Entry_ID 27708 _Software.ID 1 _Software.Type . _Software.Name TANSY _Software.Version . _Software.DOI . _Software.Details ; TANSY (Targeted Acquisition NMR Spectroscopy) consists of 2 modules: an acquisition module (AM) implemented in Topspin (Bruker) spectrometer software, and a processing and analysis module (PAM), which uses MDDNMR and NMRPipe programs for processing, and AutoAssign for automated backbone assignment (REF: L. Isaksson et al, PLOS ONE, 2013, Vol8, Issue 5, e62947) ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'TANSY-Vladislav Orekhov et al.' 'Swedish NMR Centre, University of Gothenburg, Gothenburg, Sweden' vladislav.orekhov@nmr.gu.se 27708 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'collection, processing, analysis, and automated backbone assignment' 27708 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27708 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27708 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27708 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27708 1 2 spectrometer_2 Bruker Avance . 800 . . . 27708 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27708 _Experiment_list.ID 1 _Experiment_list.Details ; The set of 6 3D triple-resonance experiments for assignment purposes were measured using incremental non-uniform sampling data collection. A targeted acquisition (TA) approach was used, which combines data accumulation, processing and monitoring of spectral quality (Ref: V. A. Jaravine, V. Y. Orekhov: Targeted Acquisition for Real-Time NMR Spectroscopy, JACS 2006, 128, 13421-13426). ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27708 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 12 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 13 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 14 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 15 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27708 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27708 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; For referencing heteronuclei chemical shifts we have used the SSP program, based on a method found to be highly effective for both disordered and folded proteins (J. A. Marsh et al, Protein Sci. 2006, 15,12, 2795) ; 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 na carbon . . . . ppm 0.00 internal indirect 1 . . . . . 27708 1 H 1 water protons . . . . ppm 4.78 internal direct 1.000000000 . . . . . 27708 1 N 15 na nitrogen . . . . ppm 0.00 internal indirect 1 . . . . . 27708 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27708 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCO' . . . 27708 1 4 '3D HN(CO)CA' . . . 27708 1 5 '3D HNCA' . . . 27708 1 6 '3D HN(CO)CACB' . . . 27708 1 7 '3D HNCACB' . . . 27708 1 8 '3D HN(CA)CO' . . . 27708 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TANSY . . 27708 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 8 8 PRO C C 13 176.98 0.1 . 1 . . . . . 8 PRO C . 27708 1 2 . 1 1 8 8 PRO CA C 13 63.05 0.1 . 1 . . . . . 8 PRO CA . 27708 1 3 . 1 1 8 8 PRO CB C 13 32.27 0.1 . 1 . . . . . 8 PRO CB . 27708 1 4 . 1 1 9 9 LYS H H 1 8.4 0.1 . 1 . . . . . 9 LYS H . 27708 1 5 . 1 1 9 9 LYS C C 13 176.48 0.1 . 1 . . . . . 9 LYS C . 27708 1 6 . 1 1 9 9 LYS CA C 13 56.55 0.1 . 1 . . . . . 9 LYS CA . 27708 1 7 . 1 1 9 9 LYS CB C 13 33.07 0.1 . 1 . . . . . 9 LYS CB . 27708 1 8 . 1 1 9 9 LYS N N 15 121.42 0.1 . 1 . . . . . 9 LYS N . 27708 1 9 . 1 1 10 10 ASN H H 1 8.19 0.1 . 1 . . . . . 10 ASN H . 27708 1 10 . 1 1 10 10 ASN C C 13 176.28 0.1 . 1 . . . . . 10 ASN C . 27708 1 11 . 1 1 10 10 ASN CA C 13 54.05 0.1 . 1 . . . . . 10 ASN CA . 27708 1 12 . 1 1 10 10 ASN CB C 13 41.57 0.1 . 1 . . . . . 10 ASN CB . 27708 1 13 . 1 1 10 10 ASN N N 15 120.82 0.1 . 1 . . . . . 10 ASN N . 27708 1 14 . 1 1 11 11 ALA H H 1 8.32 0.1 . 1 . . . . . 11 ALA H . 27708 1 15 . 1 1 11 11 ALA C C 13 178.18 0.1 . 1 . . . . . 11 ALA C . 27708 1 16 . 1 1 11 11 ALA CA C 13 52.95 0.1 . 1 . . . . . 11 ALA CA . 27708 1 17 . 1 1 11 11 ALA CB C 13 19.07 0.1 . 1 . . . . . 11 ALA CB . 27708 1 18 . 1 1 11 11 ALA N N 15 124.82 0.1 . 1 . . . . . 11 ALA N . 27708 1 19 . 1 1 12 12 SER H H 1 8.29 0.1 . 1 . . . . . 12 SER H . 27708 1 20 . 1 1 12 12 SER C C 13 174.98 0.1 . 1 . . . . . 12 SER C . 27708 1 21 . 1 1 12 12 SER CA C 13 59.05 0.1 . 1 . . . . . 12 SER CA . 27708 1 22 . 1 1 12 12 SER CB C 13 63.77 0.1 . 1 . . . . . 12 SER CB . 27708 1 23 . 1 1 12 12 SER N N 15 114.42 0.1 . 1 . . . . . 12 SER N . 27708 1 24 . 1 1 13 13 GLN H H 1 8.11 0.1 . 1 . . . . . 13 GLN H . 27708 1 25 . 1 1 13 13 GLN C C 13 175.98 0.1 . 1 . . . . . 13 GLN C . 27708 1 26 . 1 1 13 13 GLN N N 15 121.22 0.1 . 1 . . . . . 13 GLN N . 27708 1 27 . 1 1 20 20 PRO C C 13 176.78 0.1 . 1 . . . . . 20 PRO C . 27708 1 28 . 1 1 20 20 PRO CA C 13 63.25 0.1 . 1 . . . . . 20 PRO CA . 27708 1 29 . 1 1 20 20 PRO CB C 13 32.17 0.1 . 1 . . . . . 20 PRO CB . 27708 1 30 . 1 1 21 21 ALA H H 1 8.32 0.1 . 1 . . . . . 21 ALA H . 27708 1 31 . 1 1 21 21 ALA C C 13 177.78 0.1 . 1 . . . . . 21 ALA C . 27708 1 32 . 1 1 21 21 ALA CA C 13 52.45 0.1 . 1 . . . . . 21 ALA CA . 27708 1 33 . 1 1 21 21 ALA CB C 13 19.37 0.1 . 1 . . . . . 21 ALA CB . 27708 1 34 . 1 1 21 21 ALA N N 15 123.62 0.1 . 1 . . . . . 21 ALA N . 27708 1 35 . 1 1 22 22 GLU H H 1 8.26 0.1 . 1 . . . . . 22 GLU H . 27708 1 36 . 1 1 22 22 GLU C C 13 176.18 0.1 . 1 . . . . . 22 GLU C . 27708 1 37 . 1 1 22 22 GLU CA C 13 56.55 0.1 . 1 . . . . . 22 GLU CA . 27708 1 38 . 1 1 22 22 GLU CB C 13 30.47 0.1 . 1 . . . . . 22 GLU CB . 27708 1 39 . 1 1 22 22 GLU N N 15 118.92 0.1 . 1 . . . . . 22 GLU N . 27708 1 40 . 1 1 23 23 ASN H H 1 8.31 0.1 . 1 . . . . . 23 ASN H . 27708 1 41 . 1 1 23 23 ASN C C 13 175.18 0.1 . 1 . . . . . 23 ASN C . 27708 1 42 . 1 1 23 23 ASN CA C 13 53.05 0.1 . 1 . . . . . 23 ASN CA . 27708 1 43 . 1 1 23 23 ASN CB C 13 38.87 0.1 . 1 . . . . . 23 ASN CB . 27708 1 44 . 1 1 23 23 ASN N N 15 119.42 0.1 . 1 . . . . . 23 ASN N . 27708 1 45 . 1 1 24 24 VAL H H 1 7.92 0.1 . 1 . . . . . 24 VAL H . 27708 1 46 . 1 1 24 24 VAL C C 13 175.98 0.1 . 1 . . . . . 24 VAL C . 27708 1 47 . 1 1 24 24 VAL CA C 13 62.55 0.1 . 1 . . . . . 24 VAL CA . 27708 1 48 . 1 1 24 24 VAL CB C 13 32.57 0.1 . 1 . . . . . 24 VAL CB . 27708 1 49 . 1 1 24 24 VAL N N 15 119.72 0.1 . 1 . . . . . 24 VAL N . 27708 1 50 . 1 1 25 25 HIS H H 1 8.27 0.1 . 1 . . . . . 25 HIS H . 27708 1 51 . 1 1 25 25 HIS C C 13 175.88 0.1 . 1 . . . . . 25 HIS C . 27708 1 52 . 1 1 25 25 HIS CA C 13 56.15 0.1 . 1 . . . . . 25 HIS CA . 27708 1 53 . 1 1 25 25 HIS CB C 13 30.57 0.1 . 1 . . . . . 25 HIS CB . 27708 1 54 . 1 1 25 25 HIS N N 15 122.02 0.1 . 1 . . . . . 25 HIS N . 27708 1 55 . 1 1 26 26 GLY H H 1 8.2 0.1 . 1 . . . . . 26 GLY H . 27708 1 56 . 1 1 26 26 GLY C C 13 173.88 0.1 . 1 . . . . . 26 GLY C . 27708 1 57 . 1 1 26 26 GLY CA C 13 45.25 0.1 . 1 . . . . . 26 GLY CA . 27708 1 58 . 1 1 26 26 GLY N N 15 109.92 0.1 . 1 . . . . . 26 GLY N . 27708 1 59 . 1 1 27 27 ALA H H 1 8.19 0.1 . 1 . . . . . 27 ALA H . 27708 1 60 . 1 1 27 27 ALA C C 13 178.38 0.1 . 1 . . . . . 27 ALA C . 27708 1 61 . 1 1 27 27 ALA CA C 13 52.55 0.1 . 1 . . . . . 27 ALA CA . 27708 1 62 . 1 1 27 27 ALA CB C 13 19.37 0.1 . 1 . . . . . 27 ALA CB . 27708 1 63 . 1 1 27 27 ALA N N 15 123.72 0.1 . 1 . . . . . 27 ALA N . 27708 1 64 . 1 1 28 28 GLY H H 1 8.39 0.1 . 1 . . . . . 28 GLY H . 27708 1 65 . 1 1 28 28 GLY C C 13 174.88 0.1 . 1 . . . . . 28 GLY C . 27708 1 66 . 1 1 28 28 GLY CA C 13 45.35 0.1 . 1 . . . . . 28 GLY CA . 27708 1 67 . 1 1 28 28 GLY N N 15 108.02 0.1 . 1 . . . . . 28 GLY N . 27708 1 68 . 1 1 29 29 GLY H H 1 8.2 0.1 . 1 . . . . . 29 GLY H . 27708 1 69 . 1 1 29 29 GLY C C 13 174.58 0.1 . 1 . . . . . 29 GLY C . 27708 1 70 . 1 1 29 29 GLY CA C 13 45.25 0.1 . 1 . . . . . 29 GLY CA . 27708 1 71 . 1 1 29 29 GLY N N 15 108.42 0.1 . 1 . . . . . 29 GLY N . 27708 1 72 . 1 1 30 30 GLY H H 1 8.16 0.1 . 1 . . . . . 30 GLY H . 27708 1 73 . 1 1 30 30 GLY C C 13 173.48 0.1 . 1 . . . . . 30 GLY C . 27708 1 74 . 1 1 30 30 GLY CA C 13 44.95 0.1 . 1 . . . . . 30 GLY CA . 27708 1 75 . 1 1 30 30 GLY N N 15 108.32 0.1 . 1 . . . . . 30 GLY N . 27708 1 76 . 1 1 31 31 ALA H H 1 7.97 0.1 . 1 . . . . . 31 ALA H . 27708 1 77 . 1 1 31 31 ALA C C 13 176.98 0.1 . 1 . . . . . 31 ALA C . 27708 1 78 . 1 1 31 31 ALA CA C 13 52.15 0.1 . 1 . . . . . 31 ALA CA . 27708 1 79 . 1 1 31 31 ALA CB C 13 19.37 0.1 . 1 . . . . . 31 ALA CB . 27708 1 80 . 1 1 31 31 ALA N N 15 123.12 0.1 . 1 . . . . . 31 ALA N . 27708 1 81 . 1 1 32 32 PHE H H 1 8.07 0.1 . 1 . . . . . 32 PHE H . 27708 1 82 . 1 1 32 32 PHE C C 13 173.78 0.1 . 1 . . . . . 32 PHE C . 27708 1 83 . 1 1 32 32 PHE CA C 13 55.45 0.1 . 1 . . . . . 32 PHE CA . 27708 1 84 . 1 1 32 32 PHE CB C 13 39.07 0.1 . 1 . . . . . 32 PHE CB . 27708 1 85 . 1 1 32 32 PHE N N 15 119.82 0.1 . 1 . . . . . 32 PHE N . 27708 1 86 . 1 1 33 33 PRO C C 13 176.68 0.1 . 1 . . . . . 33 PRO C . 27708 1 87 . 1 1 33 33 PRO CA C 13 63.15 0.1 . 1 . . . . . 33 PRO CA . 27708 1 88 . 1 1 33 33 PRO CB C 13 32.07 0.1 . 1 . . . . . 33 PRO CB . 27708 1 89 . 1 1 34 34 ALA H H 1 8.31 0.1 . 1 . . . . . 34 ALA H . 27708 1 90 . 1 1 34 34 ALA C C 13 177.88 0.1 . 1 . . . . . 34 ALA C . 27708 1 91 . 1 1 34 34 ALA CA C 13 52.65 0.1 . 1 . . . . . 34 ALA CA . 27708 1 92 . 1 1 34 34 ALA CB C 13 19.17 0.1 . 1 . . . . . 34 ALA CB . 27708 1 93 . 1 1 34 34 ALA N N 15 124.12 0.1 . 1 . . . . . 34 ALA N . 27708 1 94 . 1 1 35 35 SER H H 1 8.16 0.1 . 1 . . . . . 35 SER H . 27708 1 95 . 1 1 35 35 SER C C 13 174.48 0.1 . 1 . . . . . 35 SER C . 27708 1 96 . 1 1 35 35 SER CA C 13 58.25 0.1 . 1 . . . . . 35 SER CA . 27708 1 97 . 1 1 35 35 SER CB C 13 63.87 0.1 . 1 . . . . . 35 SER CB . 27708 1 98 . 1 1 35 35 SER N N 15 114.12 0.1 . 1 . . . . . 35 SER N . 27708 1 99 . 1 1 36 36 GLN H H 1 8.29 0.1 . 1 . . . . . 36 GLN H . 27708 1 100 . 1 1 36 36 GLN C C 13 175.68 0.1 . 1 . . . . . 36 GLN C . 27708 1 101 . 1 1 36 36 GLN CA C 13 55.55 0.1 . 1 . . . . . 36 GLN CA . 27708 1 102 . 1 1 36 36 GLN CB C 13 29.67 0.1 . 1 . . . . . 36 GLN CB . 27708 1 103 . 1 1 36 36 GLN N N 15 121.72 0.1 . 1 . . . . . 36 GLN N . 27708 1 104 . 1 1 37 37 THR H H 1 8.16 0.1 . 1 . . . . . 37 THR H . 27708 1 105 . 1 1 37 37 THR C C 13 172.68 0.1 . 1 . . . . . 37 THR C . 27708 1 106 . 1 1 37 37 THR CA C 13 59.75 0.1 . 1 . . . . . 37 THR CA . 27708 1 107 . 1 1 37 37 THR CB C 13 69.87 0.1 . 1 . . . . . 37 THR CB . 27708 1 108 . 1 1 37 37 THR N N 15 117.82 0.1 . 1 . . . . . 37 THR N . 27708 1 109 . 1 1 41 41 PRO C C 13 176.58 0.1 . 1 . . . . . 41 PRO C . 27708 1 110 . 1 1 41 41 PRO CA C 13 62.85 0.1 . 1 . . . . . 41 PRO CA . 27708 1 111 . 1 1 41 41 PRO CB C 13 32.17 0.1 . 1 . . . . . 41 PRO CB . 27708 1 112 . 1 1 42 42 ALA H H 1 8.41 0.1 . 1 . . . . . 42 ALA H . 27708 1 113 . 1 1 42 42 ALA C C 13 177.88 0.1 . 1 . . . . . 42 ALA C . 27708 1 114 . 1 1 42 42 ALA CA C 13 52.45 0.1 . 1 . . . . . 42 ALA CA . 27708 1 115 . 1 1 42 42 ALA CB C 13 19.27 0.1 . 1 . . . . . 42 ALA CB . 27708 1 116 . 1 1 42 42 ALA N N 15 124.42 0.1 . 1 . . . . . 42 ALA N . 27708 1 117 . 1 1 43 43 SER H H 1 8.18 0.1 . 1 . . . . . 43 SER H . 27708 1 118 . 1 1 43 43 SER C C 13 174.48 0.1 . 1 . . . . . 43 SER C . 27708 1 119 . 1 1 43 43 SER CA C 13 58.05 0.1 . 1 . . . . . 43 SER CA . 27708 1 120 . 1 1 43 43 SER CB C 13 64.07 0.1 . 1 . . . . . 43 SER CB . 27708 1 121 . 1 1 43 43 SER N N 15 114.52 0.1 . 1 . . . . . 43 SER N . 27708 1 122 . 1 1 44 44 ALA H H 1 8.36 0.1 . 1 . . . . . 44 ALA H . 27708 1 123 . 1 1 44 44 ALA C C 13 177.38 0.1 . 1 . . . . . 44 ALA C . 27708 1 124 . 1 1 44 44 ALA CA C 13 52.65 0.1 . 1 . . . . . 44 ALA CA . 27708 1 125 . 1 1 44 44 ALA CB C 13 19.27 0.1 . 1 . . . . . 44 ALA CB . 27708 1 126 . 1 1 44 44 ALA N N 15 125.92 0.1 . 1 . . . . . 44 ALA N . 27708 1 127 . 1 1 45 45 ASP H H 1 8.12 0.1 . 1 . . . . . 45 ASP H . 27708 1 128 . 1 1 45 45 ASP C C 13 176.78 0.1 . 1 . . . . . 45 ASP C . 27708 1 129 . 1 1 45 45 ASP CA C 13 54.35 0.1 . 1 . . . . . 45 ASP CA . 27708 1 130 . 1 1 45 45 ASP CB C 13 41.37 0.1 . 1 . . . . . 45 ASP CB . 27708 1 131 . 1 1 45 45 ASP N N 15 118.72 0.1 . 1 . . . . . 45 ASP N . 27708 1 132 . 1 1 46 46 GLY H H 1 8.15 0.1 . 1 . . . . . 46 GLY H . 27708 1 133 . 1 1 46 46 GLY C C 13 174.08 0.1 . 1 . . . . . 46 GLY C . 27708 1 134 . 1 1 46 46 GLY CA C 13 45.35 0.1 . 1 . . . . . 46 GLY CA . 27708 1 135 . 1 1 46 46 GLY N N 15 108.52 0.1 . 1 . . . . . 46 GLY N . 27708 1 136 . 1 1 47 47 HIS C C 13 175.28 0.1 . 1 . . . . . 47 HIS C . 27708 1 137 . 1 1 47 47 HIS CA C 13 56.35 0.1 . 1 . . . . . 47 HIS CA . 27708 1 138 . 1 1 47 47 HIS CB C 13 30.47 0.1 . 1 . . . . . 47 HIS CB . 27708 1 139 . 1 1 48 48 ARG H H 1 8.2 0.1 . 1 . . . . . 48 ARG H . 27708 1 140 . 1 1 48 48 ARG C C 13 176.18 0.1 . 1 . . . . . 48 ARG C . 27708 1 141 . 1 1 48 48 ARG CA C 13 55.85 0.1 . 1 . . . . . 48 ARG CA . 27708 1 142 . 1 1 48 48 ARG CB C 13 31.07 0.1 . 1 . . . . . 48 ARG CB . 27708 1 143 . 1 1 48 48 ARG N N 15 122.32 0.1 . 1 . . . . . 48 ARG N . 27708 1 144 . 1 1 49 49 GLY H H 1 8.12 0.1 . 1 . . . . . 49 GLY H . 27708 1 145 . 1 1 49 49 GLY C C 13 171.68 0.1 . 1 . . . . . 49 GLY C . 27708 1 146 . 1 1 49 49 GLY CA C 13 44.35 0.1 . 1 . . . . . 49 GLY CA . 27708 1 147 . 1 1 49 49 GLY N N 15 109.62 0.1 . 1 . . . . . 49 GLY N . 27708 1 148 . 1 1 50 50 PRO C C 13 177.28 0.1 . 1 . . . . . 50 PRO C . 27708 1 149 . 1 1 50 50 PRO CA C 13 63.25 0.1 . 1 . . . . . 50 PRO CA . 27708 1 150 . 1 1 50 50 PRO CB C 13 32.27 0.1 . 1 . . . . . 50 PRO CB . 27708 1 151 . 1 1 51 51 SER H H 1 8.34 0.1 . 1 . . . . . 51 SER H . 27708 1 152 . 1 1 51 51 SER C C 13 174.38 0.1 . 1 . . . . . 51 SER C . 27708 1 153 . 1 1 51 51 SER CA C 13 58.35 0.1 . 1 . . . . . 51 SER CA . 27708 1 154 . 1 1 51 51 SER CB C 13 63.87 0.1 . 1 . . . . . 51 SER CB . 27708 1 155 . 1 1 51 51 SER N N 15 115.82 0.1 . 1 . . . . . 51 SER N . 27708 1 156 . 1 1 52 52 ALA H H 1 8.17 0.1 . 1 . . . . . 52 ALA H . 27708 1 157 . 1 1 52 52 ALA C C 13 177.18 0.1 . 1 . . . . . 52 ALA C . 27708 1 158 . 1 1 52 52 ALA CA C 13 52.45 0.1 . 1 . . . . . 52 ALA CA . 27708 1 159 . 1 1 52 52 ALA CB C 13 19.37 0.1 . 1 . . . . . 52 ALA CB . 27708 1 160 . 1 1 52 52 ALA N N 15 125.62 0.1 . 1 . . . . . 52 ALA N . 27708 1 161 . 1 1 53 53 ALA H H 1 8.01 0.1 . 1 . . . . . 53 ALA H . 27708 1 162 . 1 1 53 53 ALA C C 13 177.18 0.1 . 1 . . . . . 53 ALA C . 27708 1 163 . 1 1 53 53 ALA CA C 13 52.35 0.1 . 1 . . . . . 53 ALA CA . 27708 1 164 . 1 1 53 53 ALA CB C 13 19.27 0.1 . 1 . . . . . 53 ALA CB . 27708 1 165 . 1 1 53 53 ALA N N 15 122.22 0.1 . 1 . . . . . 53 ALA N . 27708 1 166 . 1 1 54 54 PHE H H 1 7.91 0.1 . 1 . . . . . 54 PHE H . 27708 1 167 . 1 1 54 54 PHE C C 13 174.78 0.1 . 1 . . . . . 54 PHE C . 27708 1 168 . 1 1 54 54 PHE CA C 13 57.15 0.1 . 1 . . . . . 54 PHE CA . 27708 1 169 . 1 1 54 54 PHE CB C 13 39.77 0.1 . 1 . . . . . 54 PHE CB . 27708 1 170 . 1 1 54 54 PHE N N 15 118.72 0.1 . 1 . . . . . 54 PHE N . 27708 1 171 . 1 1 55 55 ALA H H 1 7.98 0.1 . 1 . . . . . 55 ALA H . 27708 1 172 . 1 1 55 55 ALA C C 13 174.68 0.1 . 1 . . . . . 55 ALA C . 27708 1 173 . 1 1 55 55 ALA CA C 13 50.05 0.1 . 1 . . . . . 55 ALA CA . 27708 1 174 . 1 1 55 55 ALA CB C 13 18.67 0.1 . 1 . . . . . 55 ALA CB . 27708 1 175 . 1 1 55 55 ALA N N 15 126.92 0.1 . 1 . . . . . 55 ALA N . 27708 1 176 . 1 1 61 61 PRO C C 13 176.88 0.1 . 1 . . . . . 61 PRO C . 27708 1 177 . 1 1 61 61 PRO CA C 13 63.15 0.1 . 1 . . . . . 61 PRO CA . 27708 1 178 . 1 1 61 61 PRO CB C 13 32.17 0.1 . 1 . . . . . 61 PRO CB . 27708 1 179 . 1 1 62 62 LYS H H 1 8.29 0.1 . 1 . . . . . 62 LYS H . 27708 1 180 . 1 1 62 62 LYS C C 13 176.38 0.1 . 1 . . . . . 62 LYS C . 27708 1 181 . 1 1 62 62 LYS CA C 13 56.05 0.1 . 1 . . . . . 62 LYS CA . 27708 1 182 . 1 1 62 62 LYS CB C 13 33.07 0.1 . 1 . . . . . 62 LYS CB . 27708 1 183 . 1 1 62 62 LYS N N 15 121.12 0.1 . 1 . . . . . 62 LYS N . 27708 1 184 . 1 1 63 63 ALA H H 1 8.19 0.1 . 1 . . . . . 63 ALA H . 27708 1 185 . 1 1 63 63 ALA C C 13 177.38 0.1 . 1 . . . . . 63 ALA C . 27708 1 186 . 1 1 63 63 ALA CA C 13 52.25 0.1 . 1 . . . . . 63 ALA CA . 27708 1 187 . 1 1 63 63 ALA CB C 13 19.37 0.1 . 1 . . . . . 63 ALA CB . 27708 1 188 . 1 1 63 63 ALA N N 15 125.12 0.1 . 1 . . . . . 63 ALA N . 27708 1 189 . 1 1 64 64 ALA H H 1 8.17 0.1 . 1 . . . . . 64 ALA H . 27708 1 190 . 1 1 64 64 ALA C C 13 177.38 0.1 . 1 . . . . . 64 ALA C . 27708 1 191 . 1 1 64 64 ALA CA C 13 52.25 0.1 . 1 . . . . . 64 ALA CA . 27708 1 192 . 1 1 64 64 ALA CB C 13 19.27 0.1 . 1 . . . . . 64 ALA CB . 27708 1 193 . 1 1 64 64 ALA N N 15 123.42 0.1 . 1 . . . . . 64 ALA N . 27708 1 194 . 1 1 65 65 ALA H H 1 8.14 0.1 . 1 . . . . . 65 ALA H . 27708 1 195 . 1 1 65 65 ALA C C 13 178.08 0.1 . 1 . . . . . 65 ALA C . 27708 1 196 . 1 1 65 65 ALA CA C 13 52.45 0.1 . 1 . . . . . 65 ALA CA . 27708 1 197 . 1 1 65 65 ALA CB C 13 19.37 0.1 . 1 . . . . . 65 ALA CB . 27708 1 198 . 1 1 65 65 ALA N N 15 123.02 0.1 . 1 . . . . . 65 ALA N . 27708 1 199 . 1 1 66 66 GLY H H 1 8.18 0.1 . 1 . . . . . 66 GLY H . 27708 1 200 . 1 1 66 66 GLY C C 13 173.78 0.1 . 1 . . . . . 66 GLY C . 27708 1 201 . 1 1 66 66 GLY CA C 13 45.05 0.1 . 1 . . . . . 66 GLY CA . 27708 1 202 . 1 1 66 66 GLY N N 15 107.52 0.1 . 1 . . . . . 66 GLY N . 27708 1 203 . 1 1 67 67 PHE H H 1 7.99 0.1 . 1 . . . . . 67 PHE H . 27708 1 204 . 1 1 67 67 PHE C C 13 175.38 0.1 . 1 . . . . . 67 PHE C . 27708 1 205 . 1 1 67 67 PHE CA C 13 57.75 0.1 . 1 . . . . . 67 PHE CA . 27708 1 206 . 1 1 67 67 PHE CB C 13 39.77 0.1 . 1 . . . . . 67 PHE CB . 27708 1 207 . 1 1 67 67 PHE N N 15 119.72 0.1 . 1 . . . . . 67 PHE N . 27708 1 208 . 1 1 68 68 ASN H H 1 8.36 0.1 . 1 . . . . . 68 ASN H . 27708 1 209 . 1 1 68 68 ASN C C 13 174.98 0.1 . 1 . . . . . 68 ASN C . 27708 1 210 . 1 1 68 68 ASN CA C 13 52.85 0.1 . 1 . . . . . 68 ASN CA . 27708 1 211 . 1 1 68 68 ASN CB C 13 39.17 0.1 . 1 . . . . . 68 ASN CB . 27708 1 212 . 1 1 68 68 ASN N N 15 120.82 0.1 . 1 . . . . . 68 ASN N . 27708 1 213 . 1 1 69 69 SER H H 1 8.24 0.1 . 1 . . . . . 69 SER H . 27708 1 214 . 1 1 69 69 SER C C 13 174.78 0.1 . 1 . . . . . 69 SER C . 27708 1 215 . 1 1 69 69 SER CA C 13 58.55 0.1 . 1 . . . . . 69 SER CA . 27708 1 216 . 1 1 69 69 SER CB C 13 63.87 0.1 . 1 . . . . . 69 SER CB . 27708 1 217 . 1 1 69 69 SER N N 15 116.62 0.1 . 1 . . . . . 69 SER N . 27708 1 218 . 1 1 70 70 SER H H 1 8.3 0.1 . 1 . . . . . 70 SER H . 27708 1 219 . 1 1 70 70 SER C C 13 174.28 0.1 . 1 . . . . . 70 SER C . 27708 1 220 . 1 1 70 70 SER CA C 13 58.65 0.1 . 1 . . . . . 70 SER CA . 27708 1 221 . 1 1 70 70 SER CB C 13 63.87 0.1 . 1 . . . . . 70 SER CB . 27708 1 222 . 1 1 70 70 SER N N 15 117.12 0.1 . 1 . . . . . 70 SER N . 27708 1 223 . 1 1 71 71 ASP H H 1 8.18 0.1 . 1 . . . . . 71 ASP H . 27708 1 224 . 1 1 71 71 ASP C C 13 176.28 0.1 . 1 . . . . . 71 ASP C . 27708 1 225 . 1 1 71 71 ASP CA C 13 54.45 0.1 . 1 . . . . . 71 ASP CA . 27708 1 226 . 1 1 71 71 ASP CB C 13 41.17 0.1 . 1 . . . . . 71 ASP CB . 27708 1 227 . 1 1 71 71 ASP N N 15 121.82 0.1 . 1 . . . . . 71 ASP N . 27708 1 228 . 1 1 72 72 THR H H 1 7.98 0.1 . 1 . . . . . 72 THR H . 27708 1 229 . 1 1 72 72 THR C C 13 174.58 0.1 . 1 . . . . . 72 THR C . 27708 1 230 . 1 1 72 72 THR CA C 13 61.95 0.1 . 1 . . . . . 72 THR CA . 27708 1 231 . 1 1 72 72 THR CB C 13 69.87 0.1 . 1 . . . . . 72 THR CB . 27708 1 232 . 1 1 72 72 THR N N 15 113.92 0.1 . 1 . . . . . 72 THR N . 27708 1 233 . 1 1 73 73 VAL H H 1 8.06 0.1 . 1 . . . . . 73 VAL H . 27708 1 234 . 1 1 73 73 VAL C C 13 176.28 0.1 . 1 . . . . . 73 VAL C . 27708 1 235 . 1 1 73 73 VAL CA C 13 62.45 0.1 . 1 . . . . . 73 VAL CA . 27708 1 236 . 1 1 73 73 VAL CB C 13 32.77 0.1 . 1 . . . . . 73 VAL CB . 27708 1 237 . 1 1 73 73 VAL N N 15 122.32 0.1 . 1 . . . . . 73 VAL N . 27708 1 238 . 1 1 74 74 THR H H 1 8.15 0.1 . 1 . . . . . 74 THR H . 27708 1 239 . 1 1 74 74 THR C C 13 174.28 0.1 . 1 . . . . . 74 THR C . 27708 1 240 . 1 1 74 74 THR CA C 13 61.65 0.1 . 1 . . . . . 74 THR CA . 27708 1 241 . 1 1 74 74 THR CB C 13 69.87 0.1 . 1 . . . . . 74 THR CB . 27708 1 242 . 1 1 74 74 THR N N 15 117.42 0.1 . 1 . . . . . 74 THR N . 27708 1 243 . 1 1 75 75 SER H H 1 8.18 0.1 . 1 . . . . . 75 SER H . 27708 1 244 . 1 1 75 75 SER C C 13 172.68 0.1 . 1 . . . . . 75 SER C . 27708 1 245 . 1 1 75 75 SER CA C 13 56.35 0.1 . 1 . . . . . 75 SER CA . 27708 1 246 . 1 1 75 75 SER CB C 13 63.57 0.1 . 1 . . . . . 75 SER CB . 27708 1 247 . 1 1 75 75 SER N N 15 119.22 0.1 . 1 . . . . . 75 SER N . 27708 1 248 . 1 1 76 76 PRO C C 13 176.88 0.1 . 1 . . . . . 76 PRO C . 27708 1 249 . 1 1 76 76 PRO CA C 13 63.35 0.1 . 1 . . . . . 76 PRO CA . 27708 1 250 . 1 1 76 76 PRO CB C 13 32.17 0.1 . 1 . . . . . 76 PRO CB . 27708 1 251 . 1 1 77 77 GLN H H 1 8.33 0.1 . 1 . . . . . 77 GLN H . 27708 1 252 . 1 1 77 77 GLN C C 13 175.88 0.1 . 1 . . . . . 77 GLN C . 27708 1 253 . 1 1 77 77 GLN CA C 13 55.85 0.1 . 1 . . . . . 77 GLN CA . 27708 1 254 . 1 1 77 77 GLN CB C 13 29.47 0.1 . 1 . . . . . 77 GLN CB . 27708 1 255 . 1 1 77 77 GLN N N 15 119.92 0.1 . 1 . . . . . 77 GLN N . 27708 1 256 . 1 1 78 78 ARG H H 1 8.22 0.1 . 1 . . . . . 78 ARG H . 27708 1 257 . 1 1 78 78 ARG C C 13 175.58 0.1 . 1 . . . . . 78 ARG C . 27708 1 258 . 1 1 78 78 ARG CA C 13 55.75 0.1 . 1 . . . . . 78 ARG CA . 27708 1 259 . 1 1 78 78 ARG CB C 13 31.07 0.1 . 1 . . . . . 78 ARG CB . 27708 1 260 . 1 1 78 78 ARG N N 15 122.12 0.1 . 1 . . . . . 78 ARG N . 27708 1 261 . 1 1 79 79 ALA H H 1 8.24 0.1 . 1 . . . . . 79 ALA H . 27708 1 262 . 1 1 79 79 ALA C C 13 177.58 0.1 . 1 . . . . . 79 ALA C . 27708 1 263 . 1 1 79 79 ALA CA C 13 52.15 0.1 . 1 . . . . . 79 ALA CA . 27708 1 264 . 1 1 79 79 ALA CB C 13 19.77 0.1 . 1 . . . . . 79 ALA CB . 27708 1 265 . 1 1 79 79 ALA N N 15 125.12 0.1 . 1 . . . . . 79 ALA N . 27708 1 266 . 1 1 80 80 GLY H H 1 8.12 0.1 . 1 . . . . . 80 GLY H . 27708 1 267 . 1 1 80 80 GLY C C 13 171.88 0.1 . 1 . . . . . 80 GLY C . 27708 1 268 . 1 1 80 80 GLY CA C 13 44.45 0.1 . 1 . . . . . 80 GLY CA . 27708 1 269 . 1 1 80 80 GLY N N 15 108.22 0.1 . 1 . . . . . 80 GLY N . 27708 1 270 . 1 1 81 81 PRO C C 13 177.08 0.1 . 1 . . . . . 81 PRO C . 27708 1 271 . 1 1 81 81 PRO CA C 13 63.15 0.1 . 1 . . . . . 81 PRO CA . 27708 1 272 . 1 1 81 81 PRO CB C 13 32.27 0.1 . 1 . . . . . 81 PRO CB . 27708 1 273 . 1 1 82 82 LEU H H 1 8.25 0.1 . 1 . . . . . 82 LEU H . 27708 1 274 . 1 1 82 82 LEU C C 13 177.28 0.1 . 1 . . . . . 82 LEU C . 27708 1 275 . 1 1 82 82 LEU CA C 13 54.95 0.1 . 1 . . . . . 82 LEU CA . 27708 1 276 . 1 1 82 82 LEU CB C 13 42.27 0.1 . 1 . . . . . 82 LEU CB . 27708 1 277 . 1 1 82 82 LEU N N 15 121.32 0.1 . 1 . . . . . 82 LEU N . 27708 1 278 . 1 1 83 83 ALA H H 1 8.12 0.1 . 1 . . . . . 83 ALA H . 27708 1 279 . 1 1 83 83 ALA C C 13 177.88 0.1 . 1 . . . . . 83 ALA C . 27708 1 280 . 1 1 83 83 ALA CA C 13 52.45 0.1 . 1 . . . . . 83 ALA CA . 27708 1 281 . 1 1 83 83 ALA CB C 13 19.27 0.1 . 1 . . . . . 83 ALA CB . 27708 1 282 . 1 1 83 83 ALA N N 15 124.52 0.1 . 1 . . . . . 83 ALA N . 27708 1 283 . 1 1 84 84 GLY H H 1 8.22 0.1 . 1 . . . . . 84 GLY H . 27708 1 284 . 1 1 84 84 GLY C C 13 174.58 0.1 . 1 . . . . . 84 GLY C . 27708 1 285 . 1 1 84 84 GLY CA C 13 45.25 0.1 . 1 . . . . . 84 GLY CA . 27708 1 286 . 1 1 84 84 GLY N N 15 107.62 0.1 . 1 . . . . . 84 GLY N . 27708 1 287 . 1 1 85 85 GLY H H 1 8.12 0.1 . 1 . . . . . 85 GLY H . 27708 1 288 . 1 1 85 85 GLY C C 13 177.08 0.1 . 1 . . . . . 85 GLY C . 27708 1 289 . 1 1 85 85 GLY CA C 13 45.15 0.1 . 1 . . . . . 85 GLY CA . 27708 1 290 . 1 1 85 85 GLY N N 15 108.22 0.1 . 1 . . . . . 85 GLY N . 27708 1 291 . 1 1 86 86 VAL H H 1 7.9 0.1 . 1 . . . . . 86 VAL H . 27708 1 292 . 1 1 86 86 VAL C C 13 176.18 0.1 . 1 . . . . . 86 VAL C . 27708 1 293 . 1 1 86 86 VAL CA C 13 61.95 0.1 . 1 . . . . . 86 VAL CA . 27708 1 294 . 1 1 86 86 VAL CB C 13 33.17 0.1 . 1 . . . . . 86 VAL CB . 27708 1 295 . 1 1 86 86 VAL N N 15 118.72 0.1 . 1 . . . . . 86 VAL N . 27708 1 296 . 1 1 87 87 THR H H 1 8.35 0.1 . 1 . . . . . 87 THR H . 27708 1 297 . 1 1 87 87 THR C C 13 173.98 0.1 . 1 . . . . . 87 THR C . 27708 1 298 . 1 1 87 87 THR CA C 13 62.15 0.1 . 1 . . . . . 87 THR CA . 27708 1 299 . 1 1 87 87 THR CB C 13 70.17 0.1 . 1 . . . . . 87 THR CB . 27708 1 300 . 1 1 87 87 THR N N 15 118.42 0.1 . 1 . . . . . 87 THR N . 27708 1 301 . 1 1 88 88 THR H H 1 8.23 0.1 . 1 . . . . . 88 THR H . 27708 1 302 . 1 1 88 88 THR C C 13 173.08 0.1 . 1 . . . . . 88 THR C . 27708 1 303 . 1 1 88 88 THR CA C 13 62.15 0.1 . 1 . . . . . 88 THR CA . 27708 1 304 . 1 1 88 88 THR CB C 13 70.27 0.1 . 1 . . . . . 88 THR CB . 27708 1 305 . 1 1 88 88 THR N N 15 119.02 0.1 . 1 . . . . . 88 THR N . 27708 1 306 . 1 1 89 89 PHE H H 1 9.38 0.1 . 1 . . . . . 89 PHE H . 27708 1 307 . 1 1 89 89 PHE C C 13 173.68 0.1 . 1 . . . . . 89 PHE C . 27708 1 308 . 1 1 89 89 PHE CA C 13 56.45 0.1 . 1 . . . . . 89 PHE CA . 27708 1 309 . 1 1 89 89 PHE CB C 13 42.57 0.1 . 1 . . . . . 89 PHE CB . 27708 1 310 . 1 1 89 89 PHE N N 15 126.62 0.1 . 1 . . . . . 89 PHE N . 27708 1 311 . 1 1 90 90 VAL H H 1 9.4 0.1 . 1 . . . . . 90 VAL H . 27708 1 312 . 1 1 90 90 VAL C C 13 175.08 0.1 . 1 . . . . . 90 VAL C . 27708 1 313 . 1 1 90 90 VAL CA C 13 59.25 0.1 . 1 . . . . . 90 VAL CA . 27708 1 314 . 1 1 90 90 VAL CB C 13 35.17 0.1 . 1 . . . . . 90 VAL CB . 27708 1 315 . 1 1 90 90 VAL N N 15 118.72 0.1 . 1 . . . . . 90 VAL N . 27708 1 316 . 1 1 91 91 ALA H H 1 8.46 0.1 . 1 . . . . . 91 ALA H . 27708 1 317 . 1 1 91 91 ALA C C 13 179.38 0.1 . 1 . . . . . 91 ALA C . 27708 1 318 . 1 1 91 91 ALA CA C 13 52.35 0.1 . 1 . . . . . 91 ALA CA . 27708 1 319 . 1 1 91 91 ALA CB C 13 21.37 0.1 . 1 . . . . . 91 ALA CB . 27708 1 320 . 1 1 91 91 ALA N N 15 126.42 0.1 . 1 . . . . . 91 ALA N . 27708 1 321 . 1 1 92 92 LEU C C 13 174.98 0.1 . 1 . . . . . 92 LEU C . 27708 1 322 . 1 1 92 92 LEU CA C 13 55.55 0.1 . 1 . . . . . 92 LEU CA . 27708 1 323 . 1 1 92 92 LEU CB C 13 43.07 0.1 . 1 . . . . . 92 LEU CB . 27708 1 324 . 1 1 93 93 TYR H H 1 7.07 0.1 . 1 . . . . . 93 TYR H . 27708 1 325 . 1 1 93 93 TYR C C 13 173.48 0.1 . 1 . . . . . 93 TYR C . 27708 1 326 . 1 1 93 93 TYR CA C 13 53.65 0.1 . 1 . . . . . 93 TYR CA . 27708 1 327 . 1 1 93 93 TYR CB C 13 42.87 0.1 . 1 . . . . . 93 TYR CB . 27708 1 328 . 1 1 93 93 TYR N N 15 111.82 0.1 . 1 . . . . . 93 TYR N . 27708 1 329 . 1 1 94 94 ASP H H 1 8.21 0.1 . 1 . . . . . 94 ASP H . 27708 1 330 . 1 1 94 94 ASP C C 13 175.78 0.1 . 1 . . . . . 94 ASP C . 27708 1 331 . 1 1 94 94 ASP CA C 13 54.45 0.1 . 1 . . . . . 94 ASP CA . 27708 1 332 . 1 1 94 94 ASP CB C 13 42.17 0.1 . 1 . . . . . 94 ASP CB . 27708 1 333 . 1 1 94 94 ASP N N 15 117.22 0.1 . 1 . . . . . 94 ASP N . 27708 1 334 . 1 1 95 95 TYR H H 1 8.52 0.1 . 1 . . . . . 95 TYR H . 27708 1 335 . 1 1 95 95 TYR C C 13 173.38 0.1 . 1 . . . . . 95 TYR C . 27708 1 336 . 1 1 95 95 TYR CA C 13 58.25 0.1 . 1 . . . . . 95 TYR CA . 27708 1 337 . 1 1 95 95 TYR CB C 13 42.17 0.1 . 1 . . . . . 95 TYR CB . 27708 1 338 . 1 1 95 95 TYR N N 15 120.82 0.1 . 1 . . . . . 95 TYR N . 27708 1 339 . 1 1 96 96 GLU H H 1 7.34 0.1 . 1 . . . . . 96 GLU H . 27708 1 340 . 1 1 96 96 GLU C C 13 173.88 0.1 . 1 . . . . . 96 GLU C . 27708 1 341 . 1 1 96 96 GLU CA C 13 53.75 0.1 . 1 . . . . . 96 GLU CA . 27708 1 342 . 1 1 96 96 GLU CB C 13 30.87 0.1 . 1 . . . . . 96 GLU CB . 27708 1 343 . 1 1 96 96 GLU N N 15 127.72 0.1 . 1 . . . . . 96 GLU N . 27708 1 344 . 1 1 97 97 SER H H 1 8.09 0.1 . 1 . . . . . 97 SER H . 27708 1 345 . 1 1 97 97 SER C C 13 175.18 0.1 . 1 . . . . . 97 SER C . 27708 1 346 . 1 1 97 97 SER CA C 13 58.05 0.1 . 1 . . . . . 97 SER CA . 27708 1 347 . 1 1 97 97 SER CB C 13 63.87 0.1 . 1 . . . . . 97 SER CB . 27708 1 348 . 1 1 97 97 SER N N 15 117.82 0.1 . 1 . . . . . 97 SER N . 27708 1 349 . 1 1 98 98 ARG H H 1 9.65 0.1 . 1 . . . . . 98 ARG H . 27708 1 350 . 1 1 98 98 ARG C C 13 176.48 0.1 . 1 . . . . . 98 ARG C . 27708 1 351 . 1 1 98 98 ARG CA C 13 55.75 0.1 . 1 . . . . . 98 ARG CA . 27708 1 352 . 1 1 98 98 ARG CB C 13 32.07 0.1 . 1 . . . . . 98 ARG CB . 27708 1 353 . 1 1 98 98 ARG N N 15 124.42 0.1 . 1 . . . . . 98 ARG N . 27708 1 354 . 1 1 99 99 THR H H 1 8.32 0.1 . 1 . . . . . 99 THR H . 27708 1 355 . 1 1 99 99 THR C C 13 174.78 0.1 . 1 . . . . . 99 THR C . 27708 1 356 . 1 1 99 99 THR CA C 13 60.05 0.1 . 1 . . . . . 99 THR CA . 27708 1 357 . 1 1 99 99 THR CB C 13 70.97 0.1 . 1 . . . . . 99 THR CB . 27708 1 358 . 1 1 99 99 THR N N 15 113.52 0.1 . 1 . . . . . 99 THR N . 27708 1 359 . 1 1 100 100 GLU H H 1 8.8 0.1 . 1 . . . . . 100 GLU H . 27708 1 360 . 1 1 100 100 GLU C C 13 177.38 0.1 . 1 . . . . . 100 GLU C . 27708 1 361 . 1 1 100 100 GLU CA C 13 58.45 0.1 . 1 . . . . . 100 GLU CA . 27708 1 362 . 1 1 100 100 GLU CB C 13 30.07 0.1 . 1 . . . . . 100 GLU CB . 27708 1 363 . 1 1 100 100 GLU N N 15 119.42 0.1 . 1 . . . . . 100 GLU N . 27708 1 364 . 1 1 101 101 THR H H 1 7.67 0.1 . 1 . . . . . 101 THR H . 27708 1 365 . 1 1 101 101 THR C C 13 175.18 0.1 . 1 . . . . . 101 THR C . 27708 1 366 . 1 1 101 101 THR CA C 13 61.35 0.1 . 1 . . . . . 101 THR CA . 27708 1 367 . 1 1 101 101 THR CB C 13 69.77 0.1 . 1 . . . . . 101 THR CB . 27708 1 368 . 1 1 101 101 THR N N 15 105.52 0.1 . 1 . . . . . 101 THR N . 27708 1 369 . 1 1 102 102 ASP H H 1 7.82 0.1 . 1 . . . . . 102 ASP H . 27708 1 370 . 1 1 102 102 ASP C C 13 175.08 0.1 . 1 . . . . . 102 ASP C . 27708 1 371 . 1 1 102 102 ASP CA C 13 53.55 0.1 . 1 . . . . . 102 ASP CA . 27708 1 372 . 1 1 102 102 ASP CB C 13 42.17 0.1 . 1 . . . . . 102 ASP CB . 27708 1 373 . 1 1 102 102 ASP N N 15 123.12 0.1 . 1 . . . . . 102 ASP N . 27708 1 374 . 1 1 103 103 LEU H H 1 8.55 0.1 . 1 . . . . . 103 LEU H . 27708 1 375 . 1 1 103 103 LEU C C 13 175.18 0.1 . 1 . . . . . 103 LEU C . 27708 1 376 . 1 1 103 103 LEU CA C 13 53.85 0.1 . 1 . . . . . 103 LEU CA . 27708 1 377 . 1 1 103 103 LEU CB C 13 45.07 0.1 . 1 . . . . . 103 LEU CB . 27708 1 378 . 1 1 103 103 LEU N N 15 123.92 0.1 . 1 . . . . . 103 LEU N . 27708 1 379 . 1 1 104 104 SER H H 1 7.92 0.1 . 1 . . . . . 104 SER H . 27708 1 380 . 1 1 104 104 SER C C 13 173.78 0.1 . 1 . . . . . 104 SER C . 27708 1 381 . 1 1 104 104 SER CA C 13 58.05 0.1 . 1 . . . . . 104 SER CA . 27708 1 382 . 1 1 104 104 SER CB C 13 64.77 0.1 . 1 . . . . . 104 SER CB . 27708 1 383 . 1 1 104 104 SER N N 15 116.92 0.1 . 1 . . . . . 104 SER N . 27708 1 384 . 1 1 105 105 PHE H H 1 8.53 0.1 . 1 . . . . . 105 PHE H . 27708 1 385 . 1 1 105 105 PHE C C 13 173.58 0.1 . 1 . . . . . 105 PHE C . 27708 1 386 . 1 1 105 105 PHE CA C 13 56.15 0.1 . 1 . . . . . 105 PHE CA . 27708 1 387 . 1 1 105 105 PHE CB C 13 40.57 0.1 . 1 . . . . . 105 PHE CB . 27708 1 388 . 1 1 105 105 PHE N N 15 116.62 0.1 . 1 . . . . . 105 PHE N . 27708 1 389 . 1 1 106 106 LYS H H 1 8.58 0.1 . 1 . . . . . 106 LYS H . 27708 1 390 . 1 1 106 106 LYS C C 13 175.98 0.1 . 1 . . . . . 106 LYS C . 27708 1 391 . 1 1 106 106 LYS CA C 13 52.95 0.1 . 1 . . . . . 106 LYS CA . 27708 1 392 . 1 1 106 106 LYS CB C 13 35.47 0.1 . 1 . . . . . 106 LYS CB . 27708 1 393 . 1 1 106 106 LYS N N 15 119.32 0.1 . 1 . . . . . 106 LYS N . 27708 1 394 . 1 1 107 107 LYS H H 1 9.13 0.1 . 1 . . . . . 107 LYS H . 27708 1 395 . 1 1 107 107 LYS C C 13 177.38 0.1 . 1 . . . . . 107 LYS C . 27708 1 396 . 1 1 107 107 LYS CA C 13 58.65 0.1 . 1 . . . . . 107 LYS CA . 27708 1 397 . 1 1 107 107 LYS CB C 13 32.67 0.1 . 1 . . . . . 107 LYS CB . 27708 1 398 . 1 1 107 107 LYS N N 15 120.82 0.1 . 1 . . . . . 107 LYS N . 27708 1 399 . 1 1 108 108 GLY H H 1 8.92 0.1 . 1 . . . . . 108 GLY H . 27708 1 400 . 1 1 108 108 GLY C C 13 173.88 0.1 . 1 . . . . . 108 GLY C . 27708 1 401 . 1 1 108 108 GLY CA C 13 44.85 0.1 . 1 . . . . . 108 GLY CA . 27708 1 402 . 1 1 108 108 GLY N N 15 114.72 0.1 . 1 . . . . . 108 GLY N . 27708 1 403 . 1 1 109 109 GLU H H 1 8.32 0.1 . 1 . . . . . 109 GLU H . 27708 1 404 . 1 1 109 109 GLU C C 13 174.98 0.1 . 1 . . . . . 109 GLU C . 27708 1 405 . 1 1 109 109 GLU CA C 13 58.35 0.1 . 1 . . . . . 109 GLU CA . 27708 1 406 . 1 1 109 109 GLU CB C 13 31.57 0.1 . 1 . . . . . 109 GLU CB . 27708 1 407 . 1 1 109 109 GLU N N 15 123.42 0.1 . 1 . . . . . 109 GLU N . 27708 1 408 . 1 1 110 110 ARG H H 1 8.23 0.1 . 1 . . . . . 110 ARG H . 27708 1 409 . 1 1 110 110 ARG C C 13 175.38 0.1 . 1 . . . . . 110 ARG C . 27708 1 410 . 1 1 110 110 ARG CA C 13 55.35 0.1 . 1 . . . . . 110 ARG CA . 27708 1 411 . 1 1 110 110 ARG CB C 13 31.67 0.1 . 1 . . . . . 110 ARG CB . 27708 1 412 . 1 1 110 110 ARG N N 15 121.82 0.1 . 1 . . . . . 110 ARG N . 27708 1 413 . 1 1 111 111 LEU H H 1 9.09 0.1 . 1 . . . . . 111 LEU H . 27708 1 414 . 1 1 111 111 LEU C C 13 175.18 0.1 . 1 . . . . . 111 LEU C . 27708 1 415 . 1 1 111 111 LEU CA C 13 53.45 0.1 . 1 . . . . . 111 LEU CA . 27708 1 416 . 1 1 111 111 LEU CB C 13 46.07 0.1 . 1 . . . . . 111 LEU CB . 27708 1 417 . 1 1 111 111 LEU N N 15 123.22 0.1 . 1 . . . . . 111 LEU N . 27708 1 418 . 1 1 112 112 GLN H H 1 9.13 0.1 . 1 . . . . . 112 GLN H . 27708 1 419 . 1 1 112 112 GLN C C 13 175.48 0.1 . 1 . . . . . 112 GLN C . 27708 1 420 . 1 1 112 112 GLN CA C 13 54.15 0.1 . 1 . . . . . 112 GLN CA . 27708 1 421 . 1 1 112 112 GLN CB C 13 31.07 0.1 . 1 . . . . . 112 GLN CB . 27708 1 422 . 1 1 112 112 GLN N N 15 121.52 0.1 . 1 . . . . . 112 GLN N . 27708 1 423 . 1 1 113 113 ILE H H 1 9 0.1 . 1 . . . . . 113 ILE H . 27708 1 424 . 1 1 113 113 ILE C C 13 175.58 0.1 . 1 . . . . . 113 ILE C . 27708 1 425 . 1 1 113 113 ILE CA C 13 59.25 0.1 . 1 . . . . . 113 ILE CA . 27708 1 426 . 1 1 113 113 ILE CB C 13 35.57 0.1 . 1 . . . . . 113 ILE CB . 27708 1 427 . 1 1 113 113 ILE N N 15 125.52 0.1 . 1 . . . . . 113 ILE N . 27708 1 428 . 1 1 114 114 VAL H H 1 8.66 0.1 . 1 . . . . . 114 VAL H . 27708 1 429 . 1 1 114 114 VAL C C 13 175.88 0.1 . 1 . . . . . 114 VAL C . 27708 1 430 . 1 1 114 114 VAL CA C 13 63.35 0.1 . 1 . . . . . 114 VAL CA . 27708 1 431 . 1 1 114 114 VAL CB C 13 32.87 0.1 . 1 . . . . . 114 VAL CB . 27708 1 432 . 1 1 114 114 VAL N N 15 126.82 0.1 . 1 . . . . . 114 VAL N . 27708 1 433 . 1 1 115 115 ASN H H 1 7.64 0.1 . 1 . . . . . 115 ASN H . 27708 1 434 . 1 1 115 115 ASN C C 13 173.98 0.1 . 1 . . . . . 115 ASN C . 27708 1 435 . 1 1 115 115 ASN CA C 13 53.55 0.1 . 1 . . . . . 115 ASN CA . 27708 1 436 . 1 1 115 115 ASN CB C 13 40.67 0.1 . 1 . . . . . 115 ASN CB . 27708 1 437 . 1 1 115 115 ASN N N 15 116.12 0.1 . 1 . . . . . 115 ASN N . 27708 1 438 . 1 1 116 116 ASN H H 1 8.3 0.1 . 1 . . . . . 116 ASN H . 27708 1 439 . 1 1 116 116 ASN C C 13 175.28 0.1 . 1 . . . . . 116 ASN C . 27708 1 440 . 1 1 116 116 ASN CA C 13 52.05 0.1 . 1 . . . . . 116 ASN CA . 27708 1 441 . 1 1 116 116 ASN CB C 13 37.17 0.1 . 1 . . . . . 116 ASN CB . 27708 1 442 . 1 1 116 116 ASN N N 15 122.82 0.1 . 1 . . . . . 116 ASN N . 27708 1 443 . 1 1 117 117 THR H H 1 7.84 0.1 . 1 . . . . . 117 THR H . 27708 1 444 . 1 1 117 117 THR C C 13 175.18 0.1 . 1 . . . . . 117 THR C . 27708 1 445 . 1 1 117 117 THR CA C 13 63.25 0.1 . 1 . . . . . 117 THR CA . 27708 1 446 . 1 1 117 117 THR CB C 13 69.67 0.1 . 1 . . . . . 117 THR CB . 27708 1 447 . 1 1 117 117 THR N N 15 111.22 0.1 . 1 . . . . . 117 THR N . 27708 1 448 . 1 1 118 118 GLU H H 1 8.47 0.1 . 1 . . . . . 118 GLU H . 27708 1 449 . 1 1 118 118 GLU C C 13 176.58 0.1 . 1 . . . . . 118 GLU C . 27708 1 450 . 1 1 118 118 GLU CA C 13 55.95 0.1 . 1 . . . . . 118 GLU CA . 27708 1 451 . 1 1 118 118 GLU CB C 13 30.37 0.1 . 1 . . . . . 118 GLU CB . 27708 1 452 . 1 1 118 118 GLU N N 15 121.42 0.1 . 1 . . . . . 118 GLU N . 27708 1 453 . 1 1 119 119 GLY H H 1 8.29 0.1 . 1 . . . . . 119 GLY H . 27708 1 454 . 1 1 119 119 GLY C C 13 174.28 0.1 . 1 . . . . . 119 GLY C . 27708 1 455 . 1 1 119 119 GLY CA C 13 45.75 0.1 . 1 . . . . . 119 GLY CA . 27708 1 456 . 1 1 119 119 GLY N N 15 108.12 0.1 . 1 . . . . . 119 GLY N . 27708 1 457 . 1 1 120 120 ASP H H 1 8.51 0.1 . 1 . . . . . 120 ASP H . 27708 1 458 . 1 1 120 120 ASP C C 13 175.68 0.1 . 1 . . . . . 120 ASP C . 27708 1 459 . 1 1 120 120 ASP CA C 13 55.25 0.1 . 1 . . . . . 120 ASP CA . 27708 1 460 . 1 1 120 120 ASP CB C 13 41.27 0.1 . 1 . . . . . 120 ASP CB . 27708 1 461 . 1 1 120 120 ASP N N 15 118.32 0.1 . 1 . . . . . 120 ASP N . 27708 1 462 . 1 1 121 121 TRP H H 1 7.67 0.1 . 1 . . . . . 121 TRP H . 27708 1 463 . 1 1 121 121 TRP C C 13 175.28 0.1 . 1 . . . . . 121 TRP C . 27708 1 464 . 1 1 121 121 TRP CA C 13 55.85 0.1 . 1 . . . . . 121 TRP CA . 27708 1 465 . 1 1 121 121 TRP CB C 13 30.97 0.1 . 1 . . . . . 121 TRP CB . 27708 1 466 . 1 1 121 121 TRP N N 15 120.42 0.1 . 1 . . . . . 121 TRP N . 27708 1 467 . 1 1 122 122 TRP H H 1 9.08 0.1 . 1 . . . . . 122 TRP H . 27708 1 468 . 1 1 122 122 TRP C C 13 175.08 0.1 . 1 . . . . . 122 TRP C . 27708 1 469 . 1 1 122 122 TRP CA C 13 52.65 0.1 . 1 . . . . . 122 TRP CA . 27708 1 470 . 1 1 122 122 TRP CB C 13 32.37 0.1 . 1 . . . . . 122 TRP CB . 27708 1 471 . 1 1 122 122 TRP N N 15 124.12 0.1 . 1 . . . . . 122 TRP N . 27708 1 472 . 1 1 123 123 LEU H H 1 8.78 0.1 . 1 . . . . . 123 LEU H . 27708 1 473 . 1 1 123 123 LEU C C 13 174.78 0.1 . 1 . . . . . 123 LEU C . 27708 1 474 . 1 1 123 123 LEU CA C 13 55.05 0.1 . 1 . . . . . 123 LEU CA . 27708 1 475 . 1 1 123 123 LEU CB C 13 42.67 0.1 . 1 . . . . . 123 LEU CB . 27708 1 476 . 1 1 123 123 LEU N N 15 124.92 0.1 . 1 . . . . . 123 LEU N . 27708 1 477 . 1 1 124 124 ALA H H 1 9.03 0.1 . 1 . . . . . 124 ALA H . 27708 1 478 . 1 1 124 124 ALA C C 13 173.48 0.1 . 1 . . . . . 124 ALA C . 27708 1 479 . 1 1 124 124 ALA CA C 13 50.45 0.1 . 1 . . . . . 124 ALA CA . 27708 1 480 . 1 1 124 124 ALA CB C 13 25.57 0.1 . 1 . . . . . 124 ALA CB . 27708 1 481 . 1 1 124 124 ALA N N 15 130.92 0.1 . 1 . . . . . 124 ALA N . 27708 1 482 . 1 1 125 125 HIS H H 1 9.03 0.1 . 1 . . . . . 125 HIS H . 27708 1 483 . 1 1 125 125 HIS C C 13 174.98 0.1 . 1 . . . . . 125 HIS C . 27708 1 484 . 1 1 125 125 HIS CA C 13 53.55 0.1 . 1 . . . . . 125 HIS CA . 27708 1 485 . 1 1 125 125 HIS CB C 13 32.57 0.1 . 1 . . . . . 125 HIS CB . 27708 1 486 . 1 1 125 125 HIS N N 15 117.72 0.1 . 1 . . . . . 125 HIS N . 27708 1 487 . 1 1 126 126 SER H H 1 8.71 0.1 . 1 . . . . . 126 SER H . 27708 1 488 . 1 1 126 126 SER C C 13 176.38 0.1 . 1 . . . . . 126 SER C . 27708 1 489 . 1 1 126 126 SER CA C 13 57.25 0.1 . 1 . . . . . 126 SER CA . 27708 1 490 . 1 1 126 126 SER CB C 13 63.37 0.1 . 1 . . . . . 126 SER CB . 27708 1 491 . 1 1 126 126 SER N N 15 119.32 0.1 . 1 . . . . . 126 SER N . 27708 1 492 . 1 1 127 127 LEU H H 1 8.66 0.1 . 1 . . . . . 127 LEU H . 27708 1 493 . 1 1 127 127 LEU C C 13 178.08 0.1 . 1 . . . . . 127 LEU C . 27708 1 494 . 1 1 127 127 LEU CA C 13 56.35 0.1 . 1 . . . . . 127 LEU CA . 27708 1 495 . 1 1 127 127 LEU CB C 13 40.97 0.1 . 1 . . . . . 127 LEU CB . 27708 1 496 . 1 1 127 127 LEU N N 15 129.22 0.1 . 1 . . . . . 127 LEU N . 27708 1 497 . 1 1 128 128 SER H H 1 8.39 0.1 . 1 . . . . . 128 SER H . 27708 1 498 . 1 1 128 128 SER C C 13 175.98 0.1 . 1 . . . . . 128 SER C . 27708 1 499 . 1 1 128 128 SER CA C 13 60.55 0.1 . 1 . . . . . 128 SER CA . 27708 1 500 . 1 1 128 128 SER CB C 13 63.77 0.1 . 1 . . . . . 128 SER CB . 27708 1 501 . 1 1 128 128 SER N N 15 113.92 0.1 . 1 . . . . . 128 SER N . 27708 1 502 . 1 1 129 129 THR H H 1 8.07 0.1 . 1 . . . . . 129 THR H . 27708 1 503 . 1 1 129 129 THR C C 13 176.58 0.1 . 1 . . . . . 129 THR C . 27708 1 504 . 1 1 129 129 THR CA C 13 61.55 0.1 . 1 . . . . . 129 THR CA . 27708 1 505 . 1 1 129 129 THR CB C 13 71.27 0.1 . 1 . . . . . 129 THR CB . 27708 1 506 . 1 1 129 129 THR N N 15 108.02 0.1 . 1 . . . . . 129 THR N . 27708 1 507 . 1 1 130 130 GLY H H 1 7.83 0.1 . 1 . . . . . 130 GLY H . 27708 1 508 . 1 1 130 130 GLY C C 13 173.58 0.1 . 1 . . . . . 130 GLY C . 27708 1 509 . 1 1 130 130 GLY CA C 13 45.85 0.1 . 1 . . . . . 130 GLY CA . 27708 1 510 . 1 1 130 130 GLY N N 15 110.82 0.1 . 1 . . . . . 130 GLY N . 27708 1 511 . 1 1 131 131 GLN H H 1 7.35 0.1 . 1 . . . . . 131 GLN H . 27708 1 512 . 1 1 131 131 GLN C C 13 174.28 0.1 . 1 . . . . . 131 GLN C . 27708 1 513 . 1 1 131 131 GLN CA C 13 55.35 0.1 . 1 . . . . . 131 GLN CA . 27708 1 514 . 1 1 131 131 GLN CB C 13 30.87 0.1 . 1 . . . . . 131 GLN CB . 27708 1 515 . 1 1 131 131 GLN N N 15 118.62 0.1 . 1 . . . . . 131 GLN N . 27708 1 516 . 1 1 132 132 THR H H 1 8.47 0.1 . 1 . . . . . 132 THR H . 27708 1 517 . 1 1 132 132 THR C C 13 174.28 0.1 . 1 . . . . . 132 THR C . 27708 1 518 . 1 1 132 132 THR CA C 13 60.55 0.1 . 1 . . . . . 132 THR CA . 27708 1 519 . 1 1 132 132 THR CB C 13 72.07 0.1 . 1 . . . . . 132 THR CB . 27708 1 520 . 1 1 132 132 THR N N 15 116.32 0.1 . 1 . . . . . 132 THR N . 27708 1 521 . 1 1 133 133 GLY C C 13 171.28 0.1 . 1 . . . . . 133 GLY C . 27708 1 522 . 1 1 133 133 GLY CA C 13 45.45 0.1 . 1 . . . . . 133 GLY CA . 27708 1 523 . 1 1 134 134 TYR H H 1 8.91 0.1 . 1 . . . . . 134 TYR H . 27708 1 524 . 1 1 134 134 TYR C C 13 176.38 0.1 . 1 . . . . . 134 TYR C . 27708 1 525 . 1 1 134 134 TYR CA C 13 60.05 0.1 . 1 . . . . . 134 TYR CA . 27708 1 526 . 1 1 134 134 TYR CB C 13 40.47 0.1 . 1 . . . . . 134 TYR CB . 27708 1 527 . 1 1 134 134 TYR N N 15 119.32 0.1 . 1 . . . . . 134 TYR N . 27708 1 528 . 1 1 135 135 ILE H H 1 9.41 0.1 . 1 . . . . . 135 ILE H . 27708 1 529 . 1 1 135 135 ILE C C 13 172.18 0.1 . 1 . . . . . 135 ILE C . 27708 1 530 . 1 1 135 135 ILE CA C 13 56.85 0.1 . 1 . . . . . 135 ILE CA . 27708 1 531 . 1 1 135 135 ILE CB C 13 40.47 0.1 . 1 . . . . . 135 ILE CB . 27708 1 532 . 1 1 135 135 ILE N N 15 112.32 0.1 . 1 . . . . . 135 ILE N . 27708 1 533 . 1 1 138 138 ASN C C 13 175.48 0.1 . 1 . . . . . 138 ASN C . 27708 1 534 . 1 1 138 138 ASN CA C 13 53.25 0.1 . 1 . . . . . 138 ASN CA . 27708 1 535 . 1 1 138 138 ASN CB C 13 36.47 0.1 . 1 . . . . . 138 ASN CB . 27708 1 536 . 1 1 139 139 TYR H H 1 7.84 0.1 . 1 . . . . . 139 TYR H . 27708 1 537 . 1 1 139 139 TYR C C 13 174.88 0.1 . 1 . . . . . 139 TYR C . 27708 1 538 . 1 1 139 139 TYR CA C 13 58.45 0.1 . 1 . . . . . 139 TYR CA . 27708 1 539 . 1 1 139 139 TYR CB C 13 39.17 0.1 . 1 . . . . . 139 TYR CB . 27708 1 540 . 1 1 139 139 TYR N N 15 119.32 0.1 . 1 . . . . . 139 TYR N . 27708 1 541 . 1 1 140 140 VAL H H 1 7.06 0.1 . 1 . . . . . 140 VAL H . 27708 1 542 . 1 1 140 140 VAL C C 13 173.78 0.1 . 1 . . . . . 140 VAL C . 27708 1 543 . 1 1 140 140 VAL CA C 13 58.35 0.1 . 1 . . . . . 140 VAL CA . 27708 1 544 . 1 1 140 140 VAL CB C 13 36.57 0.1 . 1 . . . . . 140 VAL CB . 27708 1 545 . 1 1 140 140 VAL N N 15 108.32 0.1 . 1 . . . . . 140 VAL N . 27708 1 546 . 1 1 141 141 ALA H H 1 8.66 0.1 . 1 . . . . . 141 ALA H . 27708 1 547 . 1 1 141 141 ALA C C 13 173.78 0.1 . 1 . . . . . 141 ALA C . 27708 1 548 . 1 1 141 141 ALA CA C 13 49.65 0.1 . 1 . . . . . 141 ALA CA . 27708 1 549 . 1 1 141 141 ALA CB C 13 21.57 0.1 . 1 . . . . . 141 ALA CB . 27708 1 550 . 1 1 141 141 ALA N N 15 121.72 0.1 . 1 . . . . . 141 ALA N . 27708 1 551 . 1 1 143 143 SER C C 13 174.38 0.1 . 1 . . . . . 143 SER C . 27708 1 552 . 1 1 143 143 SER CA C 13 59.35 0.1 . 1 . . . . . 143 SER CA . 27708 1 553 . 1 1 143 143 SER CB C 13 63.57 0.1 . 1 . . . . . 143 SER CB . 27708 1 554 . 1 1 144 144 ASP H H 1 8.28 0.1 . 1 . . . . . 144 ASP H . 27708 1 555 . 1 1 144 144 ASP C C 13 176.18 0.1 . 1 . . . . . 144 ASP C . 27708 1 556 . 1 1 144 144 ASP CA C 13 54.25 0.1 . 1 . . . . . 144 ASP CA . 27708 1 557 . 1 1 144 144 ASP CB C 13 40.87 0.1 . 1 . . . . . 144 ASP CB . 27708 1 558 . 1 1 144 144 ASP N N 15 120.72 0.1 . 1 . . . . . 144 ASP N . 27708 1 559 . 1 1 145 145 SER H H 1 7.94 0.1 . 1 . . . . . 145 SER H . 27708 1 560 . 1 1 145 145 SER C C 13 174.38 0.1 . 1 . . . . . 145 SER C . 27708 1 561 . 1 1 145 145 SER CA C 13 58.45 0.1 . 1 . . . . . 145 SER CA . 27708 1 562 . 1 1 145 145 SER CB C 13 64.27 0.1 . 1 . . . . . 145 SER CB . 27708 1 563 . 1 1 145 145 SER N N 15 114.72 0.1 . 1 . . . . . 145 SER N . 27708 1 564 . 1 1 146 146 ILE H H 1 7.86 0.1 . 1 . . . . . 146 ILE H . 27708 1 565 . 1 1 146 146 ILE C C 13 176.28 0.1 . 1 . . . . . 146 ILE C . 27708 1 566 . 1 1 146 146 ILE CA C 13 61.05 0.1 . 1 . . . . . 146 ILE CA . 27708 1 567 . 1 1 146 146 ILE CB C 13 38.57 0.1 . 1 . . . . . 146 ILE CB . 27708 1 568 . 1 1 146 146 ILE N N 15 122.02 0.1 . 1 . . . . . 146 ILE N . 27708 1 569 . 1 1 147 147 GLN H H 1 8.31 0.1 . 1 . . . . . 147 GLN H . 27708 1 570 . 1 1 147 147 GLN C C 13 175.68 0.1 . 1 . . . . . 147 GLN C . 27708 1 571 . 1 1 147 147 GLN CA C 13 55.85 0.1 . 1 . . . . . 147 GLN CA . 27708 1 572 . 1 1 147 147 GLN CB C 13 29.37 0.1 . 1 . . . . . 147 GLN CB . 27708 1 573 . 1 1 147 147 GLN N N 15 123.72 0.1 . 1 . . . . . 147 GLN N . 27708 1 574 . 1 1 148 148 ALA H H 1 8.2 0.1 . 1 . . . . . 148 ALA H . 27708 1 575 . 1 1 148 148 ALA C C 13 177.68 0.1 . 1 . . . . . 148 ALA C . 27708 1 576 . 1 1 148 148 ALA CA C 13 52.65 0.1 . 1 . . . . . 148 ALA CA . 27708 1 577 . 1 1 148 148 ALA CB C 13 19.37 0.1 . 1 . . . . . 148 ALA CB . 27708 1 578 . 1 1 148 148 ALA N N 15 124.92 0.1 . 1 . . . . . 148 ALA N . 27708 1 579 . 1 1 149 149 GLU H H 1 8.22 0.1 . 1 . . . . . 149 GLU H . 27708 1 580 . 1 1 149 149 GLU C C 13 176.48 0.1 . 1 . . . . . 149 GLU C . 27708 1 581 . 1 1 149 149 GLU CA C 13 56.55 0.1 . 1 . . . . . 149 GLU CA . 27708 1 582 . 1 1 149 149 GLU CB C 13 30.37 0.1 . 1 . . . . . 149 GLU CB . 27708 1 583 . 1 1 149 149 GLU N N 15 119.72 0.1 . 1 . . . . . 149 GLU N . 27708 1 584 . 1 1 150 150 GLU H H 1 8.26 0.1 . 1 . . . . . 150 GLU H . 27708 1 585 . 1 1 150 150 GLU C C 13 176.18 0.1 . 1 . . . . . 150 GLU C . 27708 1 586 . 1 1 150 150 GLU CA C 13 56.55 0.1 . 1 . . . . . 150 GLU CA . 27708 1 587 . 1 1 150 150 GLU CB C 13 30.37 0.1 . 1 . . . . . 150 GLU CB . 27708 1 588 . 1 1 150 150 GLU N N 15 121.32 0.1 . 1 . . . . . 150 GLU N . 27708 1 589 . 1 1 151 151 HIS H H 1 8.16 0.1 . 1 . . . . . 151 HIS H . 27708 1 590 . 1 1 151 151 HIS C C 13 174.98 0.1 . 1 . . . . . 151 HIS C . 27708 1 591 . 1 1 151 151 HIS CA C 13 55.95 0.1 . 1 . . . . . 151 HIS CA . 27708 1 592 . 1 1 151 151 HIS CB C 13 30.57 0.1 . 1 . . . . . 151 HIS CB . 27708 1 593 . 1 1 151 151 HIS N N 15 119.52 0.1 . 1 . . . . . 151 HIS N . 27708 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27708 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'At this temperature, only data for intrinsically disordered region of the system is provided (residues 2-85)' _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 10 '3D HNCO' . . . 27708 2 11 '3D HN(CO)CA' . . . 27708 2 12 '3D HNCA' . . . 27708 2 13 '3D HN(CO)CACB' . . . 27708 2 14 '3D HNCACB' . . . 27708 2 15 '3D HN(CA)CO' . . . 27708 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 1 $TANSY . . 27708 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 SER C C 13 174.46 0.1 . 1 . . . . . 3 SER C . 27708 2 2 . 1 1 3 3 SER CA C 13 58.35 0.1 . 1 . . . . . 3 SER CA . 27708 2 3 . 1 1 4 4 ASN H H 1 8.32 0.1 . 1 . . . . . 4 ASN H . 27708 2 4 . 1 1 4 4 ASN C C 13 175.26 0.1 . 1 . . . . . 4 ASN C . 27708 2 5 . 1 1 4 4 ASN CA C 13 53.35 0.1 . 1 . . . . . 4 ASN CA . 27708 2 6 . 1 1 4 4 ASN CB C 13 38.75 0.1 . 1 . . . . . 4 ASN CB . 27708 2 7 . 1 1 4 4 ASN N N 15 119.58 0.1 . 1 . . . . . 4 ASN N . 27708 2 8 . 1 1 5 5 LYS H H 1 8.01 0.1 . 1 . . . . . 5 LYS H . 27708 2 9 . 1 1 5 5 LYS C C 13 176.46 0.1 . 1 . . . . . 5 LYS C . 27708 2 10 . 1 1 5 5 LYS CA C 13 56.35 0.1 . 1 . . . . . 5 LYS CA . 27708 2 11 . 1 1 5 5 LYS CB C 13 33.05 0.1 . 1 . . . . . 5 LYS CB . 27708 2 12 . 1 1 5 5 LYS N N 15 120.18 0.1 . 1 . . . . . 5 LYS N . 27708 2 13 . 1 1 6 6 SER H H 1 8 0.1 . 1 . . . . . 6 SER H . 27708 2 14 . 1 1 6 6 SER CA C 13 58.35 0.1 . 1 . . . . . 6 SER CA . 27708 2 15 . 1 1 6 6 SER CB C 13 64.05 0.1 . 1 . . . . . 6 SER CB . 27708 2 16 . 1 1 6 6 SER N N 15 115.48 0.1 . 1 . . . . . 6 SER N . 27708 2 17 . 1 1 8 8 PRO C C 13 176.86 0.1 . 1 . . . . . 8 PRO C . 27708 2 18 . 1 1 8 8 PRO CA C 13 63.05 0.1 . 1 . . . . . 8 PRO CA . 27708 2 19 . 1 1 8 8 PRO CB C 13 32.35 0.1 . 1 . . . . . 8 PRO CB . 27708 2 20 . 1 1 9 9 LYS H H 1 8.28 0.1 . 1 . . . . . 9 LYS H . 27708 2 21 . 1 1 9 9 LYS C C 13 176.36 0.1 . 1 . . . . . 9 LYS C . 27708 2 22 . 1 1 9 9 LYS CA C 13 56.55 0.1 . 1 . . . . . 9 LYS CA . 27708 2 23 . 1 1 9 9 LYS CB C 13 33.15 0.1 . 1 . . . . . 9 LYS CB . 27708 2 24 . 1 1 9 9 LYS N N 15 120.58 0.1 . 1 . . . . . 9 LYS N . 27708 2 25 . 1 1 10 10 ASN H H 1 8.06 0.1 . 1 . . . . . 10 ASN H . 27708 2 26 . 1 1 10 10 ASN C C 13 176.16 0.1 . 1 . . . . . 10 ASN C . 27708 2 27 . 1 1 10 10 ASN CA C 13 54.05 0.1 . 1 . . . . . 10 ASN CA . 27708 2 28 . 1 1 10 10 ASN CB C 13 41.55 0.1 . 1 . . . . . 10 ASN CB . 27708 2 29 . 1 1 10 10 ASN N N 15 120.08 0.1 . 1 . . . . . 10 ASN N . 27708 2 30 . 1 1 11 11 ALA H H 1 8.21 0.1 . 1 . . . . . 11 ALA H . 27708 2 31 . 1 1 11 11 ALA C C 13 178.16 0.1 . 1 . . . . . 11 ALA C . 27708 2 32 . 1 1 11 11 ALA CA C 13 53.15 0.1 . 1 . . . . . 11 ALA CA . 27708 2 33 . 1 1 11 11 ALA CB C 13 19.15 0.1 . 1 . . . . . 11 ALA CB . 27708 2 34 . 1 1 11 11 ALA N N 15 124.08 0.1 . 1 . . . . . 11 ALA N . 27708 2 35 . 1 1 12 12 SER H H 1 8.12 0.1 . 1 . . . . . 12 SER H . 27708 2 36 . 1 1 12 12 SER C C 13 174.86 0.1 . 1 . . . . . 12 SER C . 27708 2 37 . 1 1 12 12 SER CA C 13 59.35 0.1 . 1 . . . . . 12 SER CA . 27708 2 38 . 1 1 12 12 SER CB C 13 63.75 0.1 . 1 . . . . . 12 SER CB . 27708 2 39 . 1 1 12 12 SER N N 15 113.58 0.1 . 1 . . . . . 12 SER N . 27708 2 40 . 1 1 13 13 GLN H H 1 7.93 0.1 . 1 . . . . . 13 GLN H . 27708 2 41 . 1 1 13 13 GLN C C 13 175.96 0.1 . 1 . . . . . 13 GLN C . 27708 2 42 . 1 1 13 13 GLN CA C 13 55.95 0.1 . 1 . . . . . 13 GLN CA . 27708 2 43 . 1 1 13 13 GLN CB C 13 29.35 0.1 . 1 . . . . . 13 GLN CB . 27708 2 44 . 1 1 13 13 GLN N N 15 120.28 0.1 . 1 . . . . . 13 GLN N . 27708 2 45 . 1 1 14 14 ARG H H 1 7.93 0.1 . 1 . . . . . 14 ARG H . 27708 2 46 . 1 1 14 14 ARG C C 13 176.26 0.1 . 1 . . . . . 14 ARG C . 27708 2 47 . 1 1 14 14 ARG CA C 13 56.45 0.1 . 1 . . . . . 14 ARG CA . 27708 2 48 . 1 1 14 14 ARG CB C 13 30.85 0.1 . 1 . . . . . 14 ARG CB . 27708 2 49 . 1 1 14 14 ARG N N 15 120.78 0.1 . 1 . . . . . 14 ARG N . 27708 2 50 . 1 1 15 15 ARG H H 1 8.13 0.1 . 1 . . . . . 15 ARG H . 27708 2 51 . 1 1 15 15 ARG CA C 13 56.35 0.1 . 1 . . . . . 15 ARG CA . 27708 2 52 . 1 1 15 15 ARG CB C 13 30.95 0.1 . 1 . . . . . 15 ARG CB . 27708 2 53 . 1 1 15 15 ARG N N 15 121.38 0.1 . 1 . . . . . 15 ARG N . 27708 2 54 . 1 1 20 20 PRO C C 13 176.66 0.1 . 1 . . . . . 20 PRO C . 27708 2 55 . 1 1 20 20 PRO CA C 13 63.25 0.1 . 1 . . . . . 20 PRO CA . 27708 2 56 . 1 1 20 20 PRO CB C 13 32.25 0.1 . 1 . . . . . 20 PRO CB . 27708 2 57 . 1 1 21 21 ALA H H 1 8.2 0.1 . 1 . . . . . 21 ALA H . 27708 2 58 . 1 1 21 21 ALA C C 13 177.66 0.1 . 1 . . . . . 21 ALA C . 27708 2 59 . 1 1 21 21 ALA CA C 13 52.55 0.1 . 1 . . . . . 21 ALA CA . 27708 2 60 . 1 1 21 21 ALA CB C 13 19.35 0.1 . 1 . . . . . 21 ALA CB . 27708 2 61 . 1 1 21 21 ALA N N 15 122.88 0.1 . 1 . . . . . 21 ALA N . 27708 2 62 . 1 1 22 22 GLU H H 1 8.1 0.1 . 1 . . . . . 22 GLU H . 27708 2 63 . 1 1 22 22 GLU C C 13 175.96 0.1 . 1 . . . . . 22 GLU C . 27708 2 64 . 1 1 22 22 GLU CA C 13 56.45 0.1 . 1 . . . . . 22 GLU CA . 27708 2 65 . 1 1 22 22 GLU CB C 13 30.55 0.1 . 1 . . . . . 22 GLU CB . 27708 2 66 . 1 1 22 22 GLU N N 15 118.18 0.1 . 1 . . . . . 22 GLU N . 27708 2 67 . 1 1 23 23 ASN H H 1 8.16 0.1 . 1 . . . . . 23 ASN H . 27708 2 68 . 1 1 23 23 ASN C C 13 175.06 0.1 . 1 . . . . . 23 ASN C . 27708 2 69 . 1 1 23 23 ASN CA C 13 53.05 0.1 . 1 . . . . . 23 ASN CA . 27708 2 70 . 1 1 23 23 ASN CB C 13 38.95 0.1 . 1 . . . . . 23 ASN CB . 27708 2 71 . 1 1 23 23 ASN N N 15 118.68 0.1 . 1 . . . . . 23 ASN N . 27708 2 72 . 1 1 24 24 VAL H H 1 7.79 0.1 . 1 . . . . . 24 VAL H . 27708 2 73 . 1 1 24 24 VAL C C 13 175.96 0.1 . 1 . . . . . 24 VAL C . 27708 2 74 . 1 1 24 24 VAL CA C 13 62.55 0.1 . 1 . . . . . 24 VAL CA . 27708 2 75 . 1 1 24 24 VAL CB C 13 32.65 0.1 . 1 . . . . . 24 VAL CB . 27708 2 76 . 1 1 24 24 VAL N N 15 119.08 0.1 . 1 . . . . . 24 VAL N . 27708 2 77 . 1 1 25 25 HIS H H 1 8.19 0.1 . 1 . . . . . 25 HIS H . 27708 2 78 . 1 1 25 25 HIS C C 13 175.56 0.1 . 1 . . . . . 25 HIS C . 27708 2 79 . 1 1 25 25 HIS CA C 13 56.05 0.1 . 1 . . . . . 25 HIS CA . 27708 2 80 . 1 1 25 25 HIS CB C 13 30.25 0.1 . 1 . . . . . 25 HIS CB . 27708 2 81 . 1 1 25 25 HIS N N 15 120.98 0.1 . 1 . . . . . 25 HIS N . 27708 2 82 . 1 1 26 26 GLY H H 1 8.09 0.1 . 1 . . . . . 26 GLY H . 27708 2 83 . 1 1 26 26 GLY C C 13 173.76 0.1 . 1 . . . . . 26 GLY C . 27708 2 84 . 1 1 26 26 GLY CA C 13 45.15 0.1 . 1 . . . . . 26 GLY CA . 27708 2 85 . 1 1 26 26 GLY N N 15 109.08 0.1 . 1 . . . . . 26 GLY N . 27708 2 86 . 1 1 27 27 ALA H H 1 8.05 0.1 . 1 . . . . . 27 ALA H . 27708 2 87 . 1 1 27 27 ALA C C 13 178.36 0.1 . 1 . . . . . 27 ALA C . 27708 2 88 . 1 1 27 27 ALA CA C 13 52.65 0.1 . 1 . . . . . 27 ALA CA . 27708 2 89 . 1 1 27 27 ALA CB C 13 19.45 0.1 . 1 . . . . . 27 ALA CB . 27708 2 90 . 1 1 27 27 ALA N N 15 122.58 0.1 . 1 . . . . . 27 ALA N . 27708 2 91 . 1 1 28 28 GLY H H 1 8.26 0.1 . 1 . . . . . 28 GLY H . 27708 2 92 . 1 1 28 28 GLY C C 13 174.76 0.1 . 1 . . . . . 28 GLY C . 27708 2 93 . 1 1 28 28 GLY CA C 13 45.35 0.1 . 1 . . . . . 28 GLY CA . 27708 2 94 . 1 1 28 28 GLY N N 15 107.18 0.1 . 1 . . . . . 28 GLY N . 27708 2 95 . 1 1 29 29 GLY H H 1 8.04 0.1 . 1 . . . . . 29 GLY H . 27708 2 96 . 1 1 29 29 GLY C C 13 174.56 0.1 . 1 . . . . . 29 GLY C . 27708 2 97 . 1 1 29 29 GLY CA C 13 45.25 0.1 . 1 . . . . . 29 GLY CA . 27708 2 98 . 1 1 29 29 GLY N N 15 107.38 0.1 . 1 . . . . . 29 GLY N . 27708 2 99 . 1 1 30 30 GLY H H 1 8 0.1 . 1 . . . . . 30 GLY H . 27708 2 100 . 1 1 30 30 GLY C C 13 173.36 0.1 . 1 . . . . . 30 GLY C . 27708 2 101 . 1 1 30 30 GLY CA C 13 44.85 0.1 . 1 . . . . . 30 GLY CA . 27708 2 102 . 1 1 30 30 GLY N N 15 107.38 0.1 . 1 . . . . . 30 GLY N . 27708 2 103 . 1 1 31 31 ALA H H 1 7.82 0.1 . 1 . . . . . 31 ALA H . 27708 2 104 . 1 1 31 31 ALA C C 13 176.96 0.1 . 1 . . . . . 31 ALA C . 27708 2 105 . 1 1 31 31 ALA CA C 13 52.15 0.1 . 1 . . . . . 31 ALA CA . 27708 2 106 . 1 1 31 31 ALA CB C 13 19.55 0.1 . 1 . . . . . 31 ALA CB . 27708 2 107 . 1 1 31 31 ALA N N 15 121.98 0.1 . 1 . . . . . 31 ALA N . 27708 2 108 . 1 1 32 32 PHE H H 1 7.95 0.1 . 1 . . . . . 32 PHE H . 27708 2 109 . 1 1 32 32 PHE C C 13 173.66 0.1 . 1 . . . . . 32 PHE C . 27708 2 110 . 1 1 32 32 PHE CA C 13 55.55 0.1 . 1 . . . . . 32 PHE CA . 27708 2 111 . 1 1 32 32 PHE CB C 13 39.15 0.1 . 1 . . . . . 32 PHE CB . 27708 2 112 . 1 1 32 32 PHE N N 15 118.88 0.1 . 1 . . . . . 32 PHE N . 27708 2 113 . 1 1 33 33 PRO C C 13 176.56 0.1 . 1 . . . . . 33 PRO C . 27708 2 114 . 1 1 33 33 PRO CA C 13 63.05 0.1 . 1 . . . . . 33 PRO CA . 27708 2 115 . 1 1 33 33 PRO CB C 13 32.25 0.1 . 1 . . . . . 33 PRO CB . 27708 2 116 . 1 1 34 34 ALA H H 1 8.21 0.1 . 1 . . . . . 34 ALA H . 27708 2 117 . 1 1 34 34 ALA C C 13 177.86 0.1 . 1 . . . . . 34 ALA C . 27708 2 118 . 1 1 34 34 ALA CA C 13 52.55 0.1 . 1 . . . . . 34 ALA CA . 27708 2 119 . 1 1 34 34 ALA CB C 13 19.25 0.1 . 1 . . . . . 34 ALA CB . 27708 2 120 . 1 1 34 34 ALA N N 15 123.28 0.1 . 1 . . . . . 34 ALA N . 27708 2 121 . 1 1 35 35 SER H H 1 8.05 0.1 . 1 . . . . . 35 SER H . 27708 2 122 . 1 1 35 35 SER C C 13 174.46 0.1 . 1 . . . . . 35 SER C . 27708 2 123 . 1 1 35 35 SER CA C 13 58.25 0.1 . 1 . . . . . 35 SER CA . 27708 2 124 . 1 1 35 35 SER CB C 13 63.95 0.1 . 1 . . . . . 35 SER CB . 27708 2 125 . 1 1 35 35 SER N N 15 113.38 0.1 . 1 . . . . . 35 SER N . 27708 2 126 . 1 1 36 36 GLN H H 1 8.16 0.1 . 1 . . . . . 36 GLN H . 27708 2 127 . 1 1 36 36 GLN C C 13 175.66 0.1 . 1 . . . . . 36 GLN C . 27708 2 128 . 1 1 36 36 GLN CA C 13 55.55 0.1 . 1 . . . . . 36 GLN CA . 27708 2 129 . 1 1 36 36 GLN CB C 13 29.85 0.1 . 1 . . . . . 36 GLN CB . 27708 2 130 . 1 1 36 36 GLN N N 15 120.88 0.1 . 1 . . . . . 36 GLN N . 27708 2 131 . 1 1 37 37 THR H H 1 8.04 0.1 . 1 . . . . . 37 THR H . 27708 2 132 . 1 1 37 37 THR C C 13 172.46 0.1 . 1 . . . . . 37 THR C . 27708 2 133 . 1 1 37 37 THR CA C 13 59.95 0.1 . 1 . . . . . 37 THR CA . 27708 2 134 . 1 1 37 37 THR CB C 13 69.85 0.1 . 1 . . . . . 37 THR CB . 27708 2 135 . 1 1 37 37 THR N N 15 117.38 0.1 . 1 . . . . . 37 THR N . 27708 2 136 . 1 1 41 41 PRO C C 13 176.46 0.1 . 1 . . . . . 41 PRO C . 27708 2 137 . 1 1 41 41 PRO CA C 13 62.85 0.1 . 1 . . . . . 41 PRO CA . 27708 2 138 . 1 1 41 41 PRO CB C 13 32.35 0.1 . 1 . . . . . 41 PRO CB . 27708 2 139 . 1 1 42 42 ALA H H 1 8.29 0.1 . 1 . . . . . 42 ALA H . 27708 2 140 . 1 1 42 42 ALA C C 13 177.76 0.1 . 1 . . . . . 42 ALA C . 27708 2 141 . 1 1 42 42 ALA CA C 13 52.45 0.1 . 1 . . . . . 42 ALA CA . 27708 2 142 . 1 1 42 42 ALA CB C 13 19.35 0.1 . 1 . . . . . 42 ALA CB . 27708 2 143 . 1 1 42 42 ALA N N 15 123.58 0.1 . 1 . . . . . 42 ALA N . 27708 2 144 . 1 1 43 43 SER H H 1 8.09 0.1 . 1 . . . . . 43 SER H . 27708 2 145 . 1 1 43 43 SER C C 13 174.46 0.1 . 1 . . . . . 43 SER C . 27708 2 146 . 1 1 43 43 SER CA C 13 58.15 0.1 . 1 . . . . . 43 SER CA . 27708 2 147 . 1 1 43 43 SER CB C 13 64.05 0.1 . 1 . . . . . 43 SER CB . 27708 2 148 . 1 1 43 43 SER N N 15 113.88 0.1 . 1 . . . . . 43 SER N . 27708 2 149 . 1 1 44 44 ALA H H 1 8.24 0.1 . 1 . . . . . 44 ALA H . 27708 2 150 . 1 1 44 44 ALA C C 13 177.36 0.1 . 1 . . . . . 44 ALA C . 27708 2 151 . 1 1 44 44 ALA CA C 13 52.65 0.1 . 1 . . . . . 44 ALA CA . 27708 2 152 . 1 1 44 44 ALA CB C 13 19.35 0.1 . 1 . . . . . 44 ALA CB . 27708 2 153 . 1 1 44 44 ALA N N 15 125.08 0.1 . 1 . . . . . 44 ALA N . 27708 2 154 . 1 1 45 45 ASP H H 1 7.94 0.1 . 1 . . . . . 45 ASP H . 27708 2 155 . 1 1 45 45 ASP C C 13 176.66 0.1 . 1 . . . . . 45 ASP C . 27708 2 156 . 1 1 45 45 ASP CA C 13 54.35 0.1 . 1 . . . . . 45 ASP CA . 27708 2 157 . 1 1 45 45 ASP CB C 13 41.35 0.1 . 1 . . . . . 45 ASP CB . 27708 2 158 . 1 1 45 45 ASP N N 15 117.68 0.1 . 1 . . . . . 45 ASP N . 27708 2 159 . 1 1 46 46 GLY H H 1 7.98 0.1 . 1 . . . . . 46 GLY H . 27708 2 160 . 1 1 46 46 GLY C C 13 173.96 0.1 . 1 . . . . . 46 GLY C . 27708 2 161 . 1 1 46 46 GLY CA C 13 45.35 0.1 . 1 . . . . . 46 GLY CA . 27708 2 162 . 1 1 46 46 GLY N N 15 107.68 0.1 . 1 . . . . . 46 GLY N . 27708 2 163 . 1 1 47 47 HIS H H 1 8 0.1 . 1 . . . . . 47 HIS H . 27708 2 164 . 1 1 47 47 HIS C C 13 174.96 0.1 . 1 . . . . . 47 HIS C . 27708 2 165 . 1 1 47 47 HIS CA C 13 56.25 0.1 . 1 . . . . . 47 HIS CA . 27708 2 166 . 1 1 47 47 HIS CB C 13 30.05 0.1 . 1 . . . . . 47 HIS CB . 27708 2 167 . 1 1 47 47 HIS N N 15 117.88 0.1 . 1 . . . . . 47 HIS N . 27708 2 168 . 1 1 51 51 SER C C 13 174.26 0.1 . 1 . . . . . 51 SER C . 27708 2 169 . 1 1 51 51 SER CA C 13 58.35 0.1 . 1 . . . . . 51 SER CA . 27708 2 170 . 1 1 51 51 SER CB C 13 63.95 0.1 . 1 . . . . . 51 SER CB . 27708 2 171 . 1 1 52 52 ALA H H 1 8.06 0.1 . 1 . . . . . 52 ALA H . 27708 2 172 . 1 1 52 52 ALA C C 13 177.16 0.1 . 1 . . . . . 52 ALA C . 27708 2 173 . 1 1 52 52 ALA CA C 13 52.45 0.1 . 1 . . . . . 52 ALA CA . 27708 2 174 . 1 1 52 52 ALA CB C 13 19.45 0.1 . 1 . . . . . 52 ALA CB . 27708 2 175 . 1 1 52 52 ALA N N 15 124.78 0.1 . 1 . . . . . 52 ALA N . 27708 2 176 . 1 1 53 53 ALA H H 1 7.88 0.1 . 1 . . . . . 53 ALA H . 27708 2 177 . 1 1 53 53 ALA C C 13 177.06 0.1 . 1 . . . . . 53 ALA C . 27708 2 178 . 1 1 53 53 ALA CA C 13 52.35 0.1 . 1 . . . . . 53 ALA CA . 27708 2 179 . 1 1 53 53 ALA CB C 13 19.35 0.1 . 1 . . . . . 53 ALA CB . 27708 2 180 . 1 1 53 53 ALA N N 15 121.48 0.1 . 1 . . . . . 53 ALA N . 27708 2 181 . 1 1 54 54 PHE H H 1 7.79 0.1 . 1 . . . . . 54 PHE H . 27708 2 182 . 1 1 54 54 PHE CA C 13 57.25 0.1 . 1 . . . . . 54 PHE CA . 27708 2 183 . 1 1 54 54 PHE CB C 13 39.85 0.1 . 1 . . . . . 54 PHE CB . 27708 2 184 . 1 1 54 54 PHE N N 15 117.98 0.1 . 1 . . . . . 54 PHE N . 27708 2 185 . 1 1 58 58 ALA C C 13 177.16 0.1 . 1 . . . . . 58 ALA C . 27708 2 186 . 1 1 58 58 ALA CA C 13 52.15 0.1 . 1 . . . . . 58 ALA CA . 27708 2 187 . 1 1 58 58 ALA CB C 13 19.45 0.1 . 1 . . . . . 58 ALA CB . 27708 2 188 . 1 1 59 59 ALA H H 1 8.02 0.1 . 1 . . . . . 59 ALA H . 27708 2 189 . 1 1 59 59 ALA C C 13 177.26 0.1 . 1 . . . . . 59 ALA C . 27708 2 190 . 1 1 59 59 ALA CA C 13 51.95 0.1 . 1 . . . . . 59 ALA CA . 27708 2 191 . 1 1 59 59 ALA CB C 13 19.55 0.1 . 1 . . . . . 59 ALA CB . 27708 2 192 . 1 1 59 59 ALA N N 15 122.28 0.1 . 1 . . . . . 59 ALA N . 27708 2 193 . 1 1 60 60 GLU H H 1 8.11 0.1 . 1 . . . . . 60 GLU H . 27708 2 194 . 1 1 60 60 GLU C C 13 174.36 0.1 . 1 . . . . . 60 GLU C . 27708 2 195 . 1 1 60 60 GLU CB C 13 29.85 0.1 . 1 . . . . . 60 GLU CB . 27708 2 196 . 1 1 60 60 GLU N N 15 120.78 0.1 . 1 . . . . . 60 GLU N . 27708 2 197 . 1 1 61 61 PRO C C 13 176.66 0.1 . 1 . . . . . 61 PRO C . 27708 2 198 . 1 1 61 61 PRO CA C 13 63.05 0.1 . 1 . . . . . 61 PRO CA . 27708 2 199 . 1 1 61 61 PRO CB C 13 32.35 0.1 . 1 . . . . . 61 PRO CB . 27708 2 200 . 1 1 62 62 LYS H H 1 8.17 0.1 . 1 . . . . . 62 LYS H . 27708 2 201 . 1 1 62 62 LYS C C 13 176.26 0.1 . 1 . . . . . 62 LYS C . 27708 2 202 . 1 1 62 62 LYS CA C 13 56.05 0.1 . 1 . . . . . 62 LYS CA . 27708 2 203 . 1 1 62 62 LYS CB C 13 33.25 0.1 . 1 . . . . . 62 LYS CB . 27708 2 204 . 1 1 62 62 LYS N N 15 120.58 0.1 . 1 . . . . . 62 LYS N . 27708 2 205 . 1 1 63 63 ALA H H 1 8.08 0.1 . 1 . . . . . 63 ALA H . 27708 2 206 . 1 1 63 63 ALA C C 13 177.36 0.1 . 1 . . . . . 63 ALA C . 27708 2 207 . 1 1 63 63 ALA CA C 13 52.25 0.1 . 1 . . . . . 63 ALA CA . 27708 2 208 . 1 1 63 63 ALA CB C 13 19.45 0.1 . 1 . . . . . 63 ALA CB . 27708 2 209 . 1 1 63 63 ALA N N 15 124.48 0.1 . 1 . . . . . 63 ALA N . 27708 2 210 . 1 1 64 64 ALA H H 1 8.06 0.1 . 1 . . . . . 64 ALA H . 27708 2 211 . 1 1 64 64 ALA C C 13 177.26 0.1 . 1 . . . . . 64 ALA C . 27708 2 212 . 1 1 64 64 ALA CA C 13 52.25 0.1 . 1 . . . . . 64 ALA CA . 27708 2 213 . 1 1 64 64 ALA CB C 13 19.45 0.1 . 1 . . . . . 64 ALA CB . 27708 2 214 . 1 1 64 64 ALA N N 15 122.48 0.1 . 1 . . . . . 64 ALA N . 27708 2 215 . 1 1 65 65 ALA C C 13 178.06 0.1 . 1 . . . . . 65 ALA C . 27708 2 216 . 1 1 65 65 ALA CA C 13 52.55 0.1 . 1 . . . . . 65 ALA CA . 27708 2 217 . 1 1 65 65 ALA CB C 13 19.35 0.1 . 1 . . . . . 65 ALA CB . 27708 2 218 . 1 1 66 66 GLY H H 1 8.06 0.1 . 1 . . . . . 66 GLY H . 27708 2 219 . 1 1 66 66 GLY C C 13 173.66 0.1 . 1 . . . . . 66 GLY C . 27708 2 220 . 1 1 66 66 GLY CA C 13 44.95 0.1 . 1 . . . . . 66 GLY CA . 27708 2 221 . 1 1 66 66 GLY N N 15 106.78 0.1 . 1 . . . . . 66 GLY N . 27708 2 222 . 1 1 67 67 PHE H H 1 7.84 0.1 . 1 . . . . . 67 PHE H . 27708 2 223 . 1 1 67 67 PHE C C 13 175.26 0.1 . 1 . . . . . 67 PHE C . 27708 2 224 . 1 1 67 67 PHE CA C 13 57.85 0.1 . 1 . . . . . 67 PHE CA . 27708 2 225 . 1 1 67 67 PHE CB C 13 39.95 0.1 . 1 . . . . . 67 PHE CB . 27708 2 226 . 1 1 67 67 PHE N N 15 118.78 0.1 . 1 . . . . . 67 PHE N . 27708 2 227 . 1 1 68 68 ASN H H 1 8.2 0.1 . 1 . . . . . 68 ASN H . 27708 2 228 . 1 1 68 68 ASN C C 13 174.86 0.1 . 1 . . . . . 68 ASN C . 27708 2 229 . 1 1 68 68 ASN CA C 13 52.75 0.1 . 1 . . . . . 68 ASN CA . 27708 2 230 . 1 1 68 68 ASN CB C 13 39.35 0.1 . 1 . . . . . 68 ASN CB . 27708 2 231 . 1 1 68 68 ASN N N 15 120.18 0.1 . 1 . . . . . 68 ASN N . 27708 2 232 . 1 1 69 69 SER H H 1 8.12 0.1 . 1 . . . . . 69 SER H . 27708 2 233 . 1 1 69 69 SER C C 13 174.66 0.1 . 1 . . . . . 69 SER C . 27708 2 234 . 1 1 69 69 SER CA C 13 58.75 0.1 . 1 . . . . . 69 SER CA . 27708 2 235 . 1 1 69 69 SER CB C 13 63.85 0.1 . 1 . . . . . 69 SER CB . 27708 2 236 . 1 1 69 69 SER N N 15 115.98 0.1 . 1 . . . . . 69 SER N . 27708 2 237 . 1 1 70 70 SER H H 1 8.13 0.1 . 1 . . . . . 70 SER H . 27708 2 238 . 1 1 70 70 SER C C 13 174.16 0.1 . 1 . . . . . 70 SER C . 27708 2 239 . 1 1 70 70 SER CA C 13 58.75 0.1 . 1 . . . . . 70 SER CA . 27708 2 240 . 1 1 70 70 SER CB C 13 63.85 0.1 . 1 . . . . . 70 SER CB . 27708 2 241 . 1 1 70 70 SER N N 15 116.18 0.1 . 1 . . . . . 70 SER N . 27708 2 242 . 1 1 71 71 ASP H H 1 7.95 0.1 . 1 . . . . . 71 ASP H . 27708 2 243 . 1 1 71 71 ASP C C 13 176.16 0.1 . 1 . . . . . 71 ASP C . 27708 2 244 . 1 1 71 71 ASP CA C 13 54.55 0.1 . 1 . . . . . 71 ASP CA . 27708 2 245 . 1 1 71 71 ASP CB C 13 41.25 0.1 . 1 . . . . . 71 ASP CB . 27708 2 246 . 1 1 71 71 ASP N N 15 120.78 0.1 . 1 . . . . . 71 ASP N . 27708 2 247 . 1 1 72 72 THR H H 1 7.8 0.1 . 1 . . . . . 72 THR H . 27708 2 248 . 1 1 72 72 THR C C 13 174.46 0.1 . 1 . . . . . 72 THR C . 27708 2 249 . 1 1 72 72 THR CA C 13 62.05 0.1 . 1 . . . . . 72 THR CA . 27708 2 250 . 1 1 72 72 THR CB C 13 70.05 0.1 . 1 . . . . . 72 THR CB . 27708 2 251 . 1 1 72 72 THR N N 15 113.28 0.1 . 1 . . . . . 72 THR N . 27708 2 252 . 1 1 73 73 VAL H H 1 7.95 0.1 . 1 . . . . . 73 VAL H . 27708 2 253 . 1 1 73 73 VAL C C 13 176.16 0.1 . 1 . . . . . 73 VAL C . 27708 2 254 . 1 1 73 73 VAL CA C 13 62.55 0.1 . 1 . . . . . 73 VAL CA . 27708 2 255 . 1 1 73 73 VAL CB C 13 32.95 0.1 . 1 . . . . . 73 VAL CB . 27708 2 256 . 1 1 73 73 VAL N N 15 121.98 0.1 . 1 . . . . . 73 VAL N . 27708 2 257 . 1 1 74 74 THR H H 1 8.03 0.1 . 1 . . . . . 74 THR H . 27708 2 258 . 1 1 74 74 THR C C 13 174.16 0.1 . 1 . . . . . 74 THR C . 27708 2 259 . 1 1 74 74 THR CA C 13 61.75 0.1 . 1 . . . . . 74 THR CA . 27708 2 260 . 1 1 74 74 THR CB C 13 69.95 0.1 . 1 . . . . . 74 THR CB . 27708 2 261 . 1 1 74 74 THR N N 15 117.18 0.1 . 1 . . . . . 74 THR N . 27708 2 262 . 1 1 75 75 SER H H 1 8.08 0.1 . 1 . . . . . 75 SER H . 27708 2 263 . 1 1 75 75 SER C C 13 174.56 0.1 . 1 . . . . . 75 SER C . 27708 2 264 . 1 1 75 75 SER CA C 13 55.75 0.1 . 1 . . . . . 75 SER CA . 27708 2 265 . 1 1 75 75 SER CB C 13 63.45 0.1 . 1 . . . . . 75 SER CB . 27708 2 266 . 1 1 75 75 SER N N 15 118.58 0.1 . 1 . . . . . 75 SER N . 27708 2 267 . 1 1 76 76 PRO C C 13 176.76 0.1 . 1 . . . . . 76 PRO C . 27708 2 268 . 1 1 76 76 PRO CA C 13 63.25 0.1 . 1 . . . . . 76 PRO CA . 27708 2 269 . 1 1 76 76 PRO CB C 13 32.35 0.1 . 1 . . . . . 76 PRO CB . 27708 2 270 . 1 1 77 77 GLN H H 1 8.21 0.1 . 1 . . . . . 77 GLN H . 27708 2 271 . 1 1 77 77 GLN C C 13 175.86 0.1 . 1 . . . . . 77 GLN C . 27708 2 272 . 1 1 77 77 GLN CA C 13 55.75 0.1 . 1 . . . . . 77 GLN CA . 27708 2 273 . 1 1 77 77 GLN CB C 13 29.65 0.1 . 1 . . . . . 77 GLN CB . 27708 2 274 . 1 1 77 77 GLN N N 15 119.28 0.1 . 1 . . . . . 77 GLN N . 27708 2 275 . 1 1 78 78 ARG H H 1 8.12 0.1 . 1 . . . . . 78 ARG H . 27708 2 276 . 1 1 78 78 ARG C C 13 175.56 0.1 . 1 . . . . . 78 ARG C . 27708 2 277 . 1 1 78 78 ARG CA C 13 55.85 0.1 . 1 . . . . . 78 ARG CA . 27708 2 278 . 1 1 78 78 ARG CB C 13 31.15 0.1 . 1 . . . . . 78 ARG CB . 27708 2 279 . 1 1 78 78 ARG N N 15 121.68 0.1 . 1 . . . . . 78 ARG N . 27708 2 280 . 1 1 79 79 ALA H H 1 8.14 0.1 . 1 . . . . . 79 ALA H . 27708 2 281 . 1 1 79 79 ALA C C 13 177.56 0.1 . 1 . . . . . 79 ALA C . 27708 2 282 . 1 1 79 79 ALA CA C 13 52.25 0.1 . 1 . . . . . 79 ALA CA . 27708 2 283 . 1 1 79 79 ALA CB C 13 19.85 0.1 . 1 . . . . . 79 ALA CB . 27708 2 284 . 1 1 79 79 ALA N N 15 124.48 0.1 . 1 . . . . . 79 ALA N . 27708 2 285 . 1 1 80 80 GLY H H 1 7.99 0.1 . 1 . . . . . 80 GLY H . 27708 2 286 . 1 1 80 80 GLY C C 13 173.36 0.1 . 1 . . . . . 80 GLY C . 27708 2 287 . 1 1 80 80 GLY CA C 13 44.95 0.1 . 1 . . . . . 80 GLY CA . 27708 2 288 . 1 1 80 80 GLY N N 15 107.28 0.1 . 1 . . . . . 80 GLY N . 27708 2 289 . 1 1 84 84 GLY C C 13 174.46 0.1 . 1 . . . . . 84 GLY C . 27708 2 290 . 1 1 84 84 GLY CA C 13 45.15 0.1 . 1 . . . . . 84 GLY CA . 27708 2 291 . 1 1 85 85 GLY H H 1 7.93 0.1 . 1 . . . . . 85 GLY H . 27708 2 292 . 1 1 85 85 GLY C C 13 173.66 0.1 . 1 . . . . . 85 GLY C . 27708 2 293 . 1 1 85 85 GLY CA C 13 45.05 0.1 . 1 . . . . . 85 GLY CA . 27708 2 294 . 1 1 85 85 GLY N N 15 107.18 0.1 . 1 . . . . . 85 GLY N . 27708 2 stop_ save_