data_28084 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28084 _Entry.Title ; 1H, 13C, and 15N backbone assignments of the Brain And Acute Leukemia Cytoplasmic (BAALC) protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-18 _Entry.Accession_date 2020-02-18 _Entry.Last_release_date 2020-02-18 _Entry.Original_release_date 2020-02-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Andras Lang . . . . 28084 2 Christoph Wiedemann . . . . 28084 3 Oliver Ohlenschlaeger . . . . 28084 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Leibniz Institute on Aging / Fritz Lipmann Institute' . 28084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 540 28084 '15N chemical shifts' 163 28084 '1H chemical shifts' 354 28084 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-02-18 . original BMRB . 28084 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID SP Q8WXS3 . 28084 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 28084 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32240523 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone assignments of the Brain And Acute Leukemia Cytoplasmic (BAALC) protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 163 _Citation.Page_last 168 _Citation.Year 2020 _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 Andras Lang . . . . 28084 1 2 Amit Kumar . . . . 28084 1 3 Jan Jirschitzka . . . . 28084 1 4 Frank Bordusa . . . . 28084 1 5 Oliver Ohlenschlaeger . . . . 28084 1 6 Christoph Wiedemann . . . . 28084 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Brain And Acute Leukemia, Cytoplasmic protein (BAALC)' 28084 1 'Heteronuclear NMR' 28084 1 'Intrinsically disordered protein (IDP)' 28084 1 'Neuroectodermal and hematopoietic cell function' 28084 1 'Resonance assignments' 28084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28084 _Assembly.ID 1 _Assembly.Name BAALC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19281.38 _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 BAALC 1 $BAALC A . yes 'intrinsically disordered' no no . . . 28084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BAALC _Entity.Sf_category entity _Entity.Sf_framecode BAALC _Entity.Entry_ID 28084 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BAALC _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 ; GMGCGGSRADAIEPRYYESW TRETESTWLTYTDSDAPPSA AAPDSGPEAGGLHSVLEAEK SKIKAPTDSVSDEGLFSASK MAPLAVFSHGMLEDGLPSNG VPRSTAPGGIPNPEKKTNCE TQCPNPQSLSSGPLTQKQNG LQTTEAKRDAKRMPAKEVTI NVTDSIQQMDRSRRITKNCV N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1 represents a non-native cloning artifact' _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 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . yes UNP Q8WXS3 . BAALC . . . . . . . . . . . . . . 28084 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLY . 28084 1 2 1 MET . 28084 1 3 2 GLY . 28084 1 4 3 CYS . 28084 1 5 4 GLY . 28084 1 6 5 GLY . 28084 1 7 6 SER . 28084 1 8 7 ARG . 28084 1 9 8 ALA . 28084 1 10 9 ASP . 28084 1 11 10 ALA . 28084 1 12 11 ILE . 28084 1 13 12 GLU . 28084 1 14 13 PRO . 28084 1 15 14 ARG . 28084 1 16 15 TYR . 28084 1 17 16 TYR . 28084 1 18 17 GLU . 28084 1 19 18 SER . 28084 1 20 19 TRP . 28084 1 21 20 THR . 28084 1 22 21 ARG . 28084 1 23 22 GLU . 28084 1 24 23 THR . 28084 1 25 24 GLU . 28084 1 26 25 SER . 28084 1 27 26 THR . 28084 1 28 27 TRP . 28084 1 29 28 LEU . 28084 1 30 29 THR . 28084 1 31 30 TYR . 28084 1 32 31 THR . 28084 1 33 32 ASP . 28084 1 34 33 SER . 28084 1 35 34 ASP . 28084 1 36 35 ALA . 28084 1 37 36 PRO . 28084 1 38 37 PRO . 28084 1 39 38 SER . 28084 1 40 39 ALA . 28084 1 41 40 ALA . 28084 1 42 41 ALA . 28084 1 43 42 PRO . 28084 1 44 43 ASP . 28084 1 45 44 SER . 28084 1 46 45 GLY . 28084 1 47 46 PRO . 28084 1 48 47 GLU . 28084 1 49 48 ALA . 28084 1 50 49 GLY . 28084 1 51 50 GLY . 28084 1 52 51 LEU . 28084 1 53 52 HIS . 28084 1 54 53 SER . 28084 1 55 54 VAL . 28084 1 56 55 LEU . 28084 1 57 56 GLU . 28084 1 58 57 ALA . 28084 1 59 58 GLU . 28084 1 60 59 LYS . 28084 1 61 60 SER . 28084 1 62 61 LYS . 28084 1 63 62 ILE . 28084 1 64 63 LYS . 28084 1 65 64 ALA . 28084 1 66 65 PRO . 28084 1 67 66 THR . 28084 1 68 67 ASP . 28084 1 69 68 SER . 28084 1 70 69 VAL . 28084 1 71 70 SER . 28084 1 72 71 ASP . 28084 1 73 72 GLU . 28084 1 74 73 GLY . 28084 1 75 74 LEU . 28084 1 76 75 PHE . 28084 1 77 76 SER . 28084 1 78 77 ALA . 28084 1 79 78 SER . 28084 1 80 79 LYS . 28084 1 81 80 MET . 28084 1 82 81 ALA . 28084 1 83 82 PRO . 28084 1 84 83 LEU . 28084 1 85 84 ALA . 28084 1 86 85 VAL . 28084 1 87 86 PHE . 28084 1 88 87 SER . 28084 1 89 88 HIS . 28084 1 90 89 GLY . 28084 1 91 90 MET . 28084 1 92 91 LEU . 28084 1 93 92 GLU . 28084 1 94 93 ASP . 28084 1 95 94 GLY . 28084 1 96 95 LEU . 28084 1 97 96 PRO . 28084 1 98 97 SER . 28084 1 99 98 ASN . 28084 1 100 99 GLY . 28084 1 101 100 VAL . 28084 1 102 101 PRO . 28084 1 103 102 ARG . 28084 1 104 103 SER . 28084 1 105 104 THR . 28084 1 106 105 ALA . 28084 1 107 106 PRO . 28084 1 108 107 GLY . 28084 1 109 108 GLY . 28084 1 110 109 ILE . 28084 1 111 110 PRO . 28084 1 112 111 ASN . 28084 1 113 112 PRO . 28084 1 114 113 GLU . 28084 1 115 114 LYS . 28084 1 116 115 LYS . 28084 1 117 116 THR . 28084 1 118 117 ASN . 28084 1 119 118 CYS . 28084 1 120 119 GLU . 28084 1 121 120 THR . 28084 1 122 121 GLN . 28084 1 123 122 CYS . 28084 1 124 123 PRO . 28084 1 125 124 ASN . 28084 1 126 125 PRO . 28084 1 127 126 GLN . 28084 1 128 127 SER . 28084 1 129 128 LEU . 28084 1 130 129 SER . 28084 1 131 130 SER . 28084 1 132 131 GLY . 28084 1 133 132 PRO . 28084 1 134 133 LEU . 28084 1 135 134 THR . 28084 1 136 135 GLN . 28084 1 137 136 LYS . 28084 1 138 137 GLN . 28084 1 139 138 ASN . 28084 1 140 139 GLY . 28084 1 141 140 LEU . 28084 1 142 141 GLN . 28084 1 143 142 THR . 28084 1 144 143 THR . 28084 1 145 144 GLU . 28084 1 146 145 ALA . 28084 1 147 146 LYS . 28084 1 148 147 ARG . 28084 1 149 148 ASP . 28084 1 150 149 ALA . 28084 1 151 150 LYS . 28084 1 152 151 ARG . 28084 1 153 152 MET . 28084 1 154 153 PRO . 28084 1 155 154 ALA . 28084 1 156 155 LYS . 28084 1 157 156 GLU . 28084 1 158 157 VAL . 28084 1 159 158 THR . 28084 1 160 159 ILE . 28084 1 161 160 ASN . 28084 1 162 161 VAL . 28084 1 163 162 THR . 28084 1 164 163 ASP . 28084 1 165 164 SER . 28084 1 166 165 ILE . 28084 1 167 166 GLN . 28084 1 168 167 GLN . 28084 1 169 168 MET . 28084 1 170 169 ASP . 28084 1 171 170 ARG . 28084 1 172 171 SER . 28084 1 173 172 ARG . 28084 1 174 173 ARG . 28084 1 175 174 ILE . 28084 1 176 175 THR . 28084 1 177 176 LYS . 28084 1 178 177 ASN . 28084 1 179 178 CYS . 28084 1 180 179 VAL . 28084 1 181 180 ASN . 28084 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 28084 1 . MET 2 2 28084 1 . GLY 3 3 28084 1 . CYS 4 4 28084 1 . GLY 5 5 28084 1 . GLY 6 6 28084 1 . SER 7 7 28084 1 . ARG 8 8 28084 1 . ALA 9 9 28084 1 . ASP 10 10 28084 1 . ALA 11 11 28084 1 . ILE 12 12 28084 1 . GLU 13 13 28084 1 . PRO 14 14 28084 1 . ARG 15 15 28084 1 . TYR 16 16 28084 1 . TYR 17 17 28084 1 . GLU 18 18 28084 1 . SER 19 19 28084 1 . TRP 20 20 28084 1 . THR 21 21 28084 1 . ARG 22 22 28084 1 . GLU 23 23 28084 1 . THR 24 24 28084 1 . GLU 25 25 28084 1 . SER 26 26 28084 1 . THR 27 27 28084 1 . TRP 28 28 28084 1 . LEU 29 29 28084 1 . THR 30 30 28084 1 . TYR 31 31 28084 1 . THR 32 32 28084 1 . ASP 33 33 28084 1 . SER 34 34 28084 1 . ASP 35 35 28084 1 . ALA 36 36 28084 1 . PRO 37 37 28084 1 . PRO 38 38 28084 1 . SER 39 39 28084 1 . ALA 40 40 28084 1 . ALA 41 41 28084 1 . ALA 42 42 28084 1 . PRO 43 43 28084 1 . ASP 44 44 28084 1 . SER 45 45 28084 1 . GLY 46 46 28084 1 . PRO 47 47 28084 1 . GLU 48 48 28084 1 . ALA 49 49 28084 1 . GLY 50 50 28084 1 . GLY 51 51 28084 1 . LEU 52 52 28084 1 . HIS 53 53 28084 1 . SER 54 54 28084 1 . VAL 55 55 28084 1 . LEU 56 56 28084 1 . GLU 57 57 28084 1 . ALA 58 58 28084 1 . GLU 59 59 28084 1 . LYS 60 60 28084 1 . SER 61 61 28084 1 . LYS 62 62 28084 1 . ILE 63 63 28084 1 . LYS 64 64 28084 1 . ALA 65 65 28084 1 . PRO 66 66 28084 1 . THR 67 67 28084 1 . ASP 68 68 28084 1 . SER 69 69 28084 1 . VAL 70 70 28084 1 . SER 71 71 28084 1 . ASP 72 72 28084 1 . GLU 73 73 28084 1 . GLY 74 74 28084 1 . LEU 75 75 28084 1 . PHE 76 76 28084 1 . SER 77 77 28084 1 . ALA 78 78 28084 1 . SER 79 79 28084 1 . LYS 80 80 28084 1 . MET 81 81 28084 1 . ALA 82 82 28084 1 . PRO 83 83 28084 1 . LEU 84 84 28084 1 . ALA 85 85 28084 1 . VAL 86 86 28084 1 . PHE 87 87 28084 1 . SER 88 88 28084 1 . HIS 89 89 28084 1 . GLY 90 90 28084 1 . MET 91 91 28084 1 . LEU 92 92 28084 1 . GLU 93 93 28084 1 . ASP 94 94 28084 1 . GLY 95 95 28084 1 . LEU 96 96 28084 1 . PRO 97 97 28084 1 . SER 98 98 28084 1 . ASN 99 99 28084 1 . GLY 100 100 28084 1 . VAL 101 101 28084 1 . PRO 102 102 28084 1 . ARG 103 103 28084 1 . SER 104 104 28084 1 . THR 105 105 28084 1 . ALA 106 106 28084 1 . PRO 107 107 28084 1 . GLY 108 108 28084 1 . GLY 109 109 28084 1 . ILE 110 110 28084 1 . PRO 111 111 28084 1 . ASN 112 112 28084 1 . PRO 113 113 28084 1 . GLU 114 114 28084 1 . LYS 115 115 28084 1 . LYS 116 116 28084 1 . THR 117 117 28084 1 . ASN 118 118 28084 1 . CYS 119 119 28084 1 . GLU 120 120 28084 1 . THR 121 121 28084 1 . GLN 122 122 28084 1 . CYS 123 123 28084 1 . PRO 124 124 28084 1 . ASN 125 125 28084 1 . PRO 126 126 28084 1 . GLN 127 127 28084 1 . SER 128 128 28084 1 . LEU 129 129 28084 1 . SER 130 130 28084 1 . SER 131 131 28084 1 . GLY 132 132 28084 1 . PRO 133 133 28084 1 . LEU 134 134 28084 1 . THR 135 135 28084 1 . GLN 136 136 28084 1 . LYS 137 137 28084 1 . GLN 138 138 28084 1 . ASN 139 139 28084 1 . GLY 140 140 28084 1 . LEU 141 141 28084 1 . GLN 142 142 28084 1 . THR 143 143 28084 1 . THR 144 144 28084 1 . GLU 145 145 28084 1 . ALA 146 146 28084 1 . LYS 147 147 28084 1 . ARG 148 148 28084 1 . ASP 149 149 28084 1 . ALA 150 150 28084 1 . LYS 151 151 28084 1 . ARG 152 152 28084 1 . MET 153 153 28084 1 . PRO 154 154 28084 1 . ALA 155 155 28084 1 . LYS 156 156 28084 1 . GLU 157 157 28084 1 . VAL 158 158 28084 1 . THR 159 159 28084 1 . ILE 160 160 28084 1 . ASN 161 161 28084 1 . VAL 162 162 28084 1 . THR 163 163 28084 1 . ASP 164 164 28084 1 . SER 165 165 28084 1 . ILE 166 166 28084 1 . GLN 167 167 28084 1 . GLN 168 168 28084 1 . MET 169 169 28084 1 . ASP 170 170 28084 1 . ARG 171 171 28084 1 . SER 172 172 28084 1 . ARG 173 173 28084 1 . ARG 174 174 28084 1 . ILE 175 175 28084 1 . THR 176 176 28084 1 . LYS 177 177 28084 1 . ASN 178 178 28084 1 . CYS 179 179 28084 1 . VAL 180 180 28084 1 . ASN 181 181 28084 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 28084 _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 $BAALC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28084 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 28084 _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 $BAALC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 28084 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28084 _Sample.ID 1 _Sample.Name . _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 BAALC '[U-99% 13C; U-99% 15N]' . . 1 $BAALC . . 1.55 . . mg/mL . . . . 28084 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28084 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 28084 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 20 . mM 28084 1 pH 6.5 . pH 28084 1 pressure 1 . atm 28084 1 temperature 283 . K 28084 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28084 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28084 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28084 1 processing . 28084 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 28084 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _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 28084 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 28084 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . . . 28084 1 2 spectrometer_2 Bruker Avance . 700 . . . 28084 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 28084 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28084 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28084 1 3 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28084 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28084 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28084 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28084 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28084 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28084 1 9 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28084 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 28084 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28084 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 28084 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28084 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 28084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28084 1 2 '2D 1H-13C HSQC' . . . 28084 1 3 '3D C(CO)NH' . . . 28084 1 4 '3D HNCO' . . . 28084 1 5 '3D HNCA' . . . 28084 1 6 '3D HNCACB' . . . 28084 1 7 '3D HN(CO)CA' . . . 28084 1 8 '3D 1H-15N TOCSY' . . . 28084 1 9 '3D HN(CA)CO' . . . 28084 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 177.258 0.000 . 1 . . . . . 0 GLY C . 28084 1 2 . 1 . 1 1 1 GLY CA C 13 43.236 0.008 . 1 . . . . . 0 GLY CA . 28084 1 3 . 1 . 1 2 2 MET H H 1 8.829 0.002 . 1 . . . . . 1 MET H . 28084 1 4 . 1 . 1 2 2 MET HA H 1 4.521 0.000 . 1 . . . . . 1 MET HA . 28084 1 5 . 1 . 1 2 2 MET C C 13 176.873 0.010 . 1 . . . . . 1 MET C . 28084 1 6 . 1 . 1 2 2 MET CA C 13 55.698 0.040 . 1 . . . . . 1 MET CA . 28084 1 7 . 1 . 1 2 2 MET N N 15 119.963 0.008 . 1 . . . . . 1 MET N . 28084 1 8 . 1 . 1 3 3 GLY H H 1 8.711 0.002 . 1 . . . . . 2 GLY H . 28084 1 9 . 1 . 1 3 3 GLY HA2 H 1 3.998 0.002 . 1 . . . . . 2 GLY HA2 . 28084 1 10 . 1 . 1 3 3 GLY HA3 H 1 3.998 0.002 . 1 . . . . . 2 GLY HA3 . 28084 1 11 . 1 . 1 3 3 GLY C C 13 174.175 0.005 . 1 . . . . . 2 GLY C . 28084 1 12 . 1 . 1 3 3 GLY CA C 13 45.258 0.016 . 1 . . . . . 2 GLY CA . 28084 1 13 . 1 . 1 3 3 GLY N N 15 110.906 0.013 . 1 . . . . . 2 GLY N . 28084 1 14 . 1 . 1 4 4 CYS H H 1 8.451 0.001 . 1 . . . . . 3 CYS H . 28084 1 15 . 1 . 1 4 4 CYS HA H 1 4.553 0.002 . 1 . . . . . 3 CYS HA . 28084 1 16 . 1 . 1 4 4 CYS C C 13 175.353 0.001 . 1 . . . . . 3 CYS C . 28084 1 17 . 1 . 1 4 4 CYS CA C 13 58.401 0.048 . 1 . . . . . 3 CYS CA . 28084 1 18 . 1 . 1 4 4 CYS CB C 13 28.264 0.025 . 1 . . . . . 3 CYS CB . 28084 1 19 . 1 . 1 4 4 CYS N N 15 118.730 0.012 . 1 . . . . . 3 CYS N . 28084 1 20 . 1 . 1 5 5 GLY H H 1 8.717 0.003 . 1 . . . . . 4 GLY H . 28084 1 21 . 1 . 1 5 5 GLY HA2 H 1 3.991 0.000 . 1 . . . . . 4 GLY HA2 . 28084 1 22 . 1 . 1 5 5 GLY HA3 H 1 3.991 0.000 . 1 . . . . . 4 GLY HA3 . 28084 1 23 . 1 . 1 5 5 GLY C C 13 174.648 0.000 . 1 . . . . . 4 GLY C . 28084 1 24 . 1 . 1 5 5 GLY CA C 13 45.472 0.030 . 1 . . . . . 4 GLY CA . 28084 1 25 . 1 . 1 5 5 GLY N N 15 111.846 0.015 . 1 . . . . . 4 GLY N . 28084 1 26 . 1 . 1 6 6 GLY H H 1 8.374 0.001 . 1 . . . . . 5 GLY H . 28084 1 27 . 1 . 1 6 6 GLY HA2 H 1 3.985 0.008 . 1 . . . . . 5 GLY HA2 . 28084 1 28 . 1 . 1 6 6 GLY HA3 H 1 3.985 0.008 . 1 . . . . . 5 GLY HA3 . 28084 1 29 . 1 . 1 6 6 GLY C C 13 174.264 0.000 . 1 . . . . . 5 GLY C . 28084 1 30 . 1 . 1 6 6 GLY CA C 13 45.168 0.053 . 1 . . . . . 5 GLY CA . 28084 1 31 . 1 . 1 6 6 GLY N N 15 109.035 0.006 . 1 . . . . . 5 GLY N . 28084 1 32 . 1 . 1 7 7 SER H H 1 8.366 0.001 . 1 . . . . . 6 SER H . 28084 1 33 . 1 . 1 7 7 SER HA H 1 4.460 0.001 . 1 . . . . . 6 SER HA . 28084 1 34 . 1 . 1 7 7 SER C C 13 174.693 0.020 . 1 . . . . . 6 SER C . 28084 1 35 . 1 . 1 7 7 SER CA C 13 58.302 0.020 . 1 . . . . . 6 SER CA . 28084 1 36 . 1 . 1 7 7 SER CB C 13 63.806 0.077 . 1 . . . . . 6 SER CB . 28084 1 37 . 1 . 1 7 7 SER N N 15 115.968 0.008 . 1 . . . . . 6 SER N . 28084 1 38 . 1 . 1 8 8 ARG H H 1 8.521 0.002 . 1 . . . . . 7 ARG H . 28084 1 39 . 1 . 1 8 8 ARG HA H 1 4.327 0.005 . 1 . . . . . 7 ARG HA . 28084 1 40 . 1 . 1 8 8 ARG C C 13 176.386 0.002 . 1 . . . . . 7 ARG C . 28084 1 41 . 1 . 1 8 8 ARG CA C 13 56.004 0.070 . 1 . . . . . 7 ARG CA . 28084 1 42 . 1 . 1 8 8 ARG CB C 13 30.885 0.014 . 1 . . . . . 7 ARG CB . 28084 1 43 . 1 . 1 8 8 ARG N N 15 123.178 0.002 . 1 . . . . . 7 ARG N . 28084 1 44 . 1 . 1 9 9 ALA H H 1 8.451 0.001 . 1 . . . . . 8 ALA H . 28084 1 45 . 1 . 1 9 9 ALA HA H 1 4.271 0.001 . 1 . . . . . 8 ALA HA . 28084 1 46 . 1 . 1 9 9 ALA C C 13 177.562 0.008 . 1 . . . . . 8 ALA C . 28084 1 47 . 1 . 1 9 9 ALA CA C 13 52.846 0.043 . 1 . . . . . 8 ALA CA . 28084 1 48 . 1 . 1 9 9 ALA CB C 13 19.115 0.024 . 1 . . . . . 8 ALA CB . 28084 1 49 . 1 . 1 9 9 ALA N N 15 125.174 0.005 . 1 . . . . . 8 ALA N . 28084 1 50 . 1 . 1 10 10 ASP H H 1 8.253 0.005 . 1 . . . . . 9 ASP H . 28084 1 51 . 1 . 1 10 10 ASP HA H 1 4.540 0.003 . 1 . . . . . 9 ASP HA . 28084 1 52 . 1 . 1 10 10 ASP C C 13 175.853 0.002 . 1 . . . . . 9 ASP C . 28084 1 53 . 1 . 1 10 10 ASP CA C 13 54.206 0.057 . 1 . . . . . 9 ASP CA . 28084 1 54 . 1 . 1 10 10 ASP CB C 13 40.964 0.098 . 1 . . . . . 9 ASP CB . 28084 1 55 . 1 . 1 10 10 ASP N N 15 118.588 0.005 . 1 . . . . . 9 ASP N . 28084 1 56 . 1 . 1 11 11 ALA H H 1 8.050 0.004 . 1 . . . . . 10 ALA H . 28084 1 57 . 1 . 1 11 11 ALA HA H 1 4.305 0.012 . 1 . . . . . 10 ALA HA . 28084 1 58 . 1 . 1 11 11 ALA C C 13 177.381 0.005 . 1 . . . . . 10 ALA C . 28084 1 59 . 1 . 1 11 11 ALA CA C 13 52.392 0.020 . 1 . . . . . 10 ALA CA . 28084 1 60 . 1 . 1 11 11 ALA CB C 13 19.308 0.036 . 1 . . . . . 10 ALA CB . 28084 1 61 . 1 . 1 11 11 ALA N N 15 123.536 0.008 . 1 . . . . . 10 ALA N . 28084 1 62 . 1 . 1 12 12 ILE H H 1 8.140 0.002 . 1 . . . . . 11 ILE H . 28084 1 63 . 1 . 1 12 12 ILE HA H 1 4.136 0.004 . 1 . . . . . 11 ILE HA . 28084 1 64 . 1 . 1 12 12 ILE C C 13 176.144 0.017 . 1 . . . . . 11 ILE C . 28084 1 65 . 1 . 1 12 12 ILE CA C 13 60.929 0.061 . 1 . . . . . 11 ILE CA . 28084 1 66 . 1 . 1 12 12 ILE CB C 13 38.643 0.044 . 1 . . . . . 11 ILE CB . 28084 1 67 . 1 . 1 12 12 ILE N N 15 120.233 0.007 . 1 . . . . . 11 ILE N . 28084 1 68 . 1 . 1 13 13 GLU H H 1 8.471 0.003 . 1 . . . . . 12 GLU H . 28084 1 69 . 1 . 1 13 13 GLU HA H 1 4.566 0.006 . 1 . . . . . 12 GLU HA . 28084 1 70 . 1 . 1 13 13 GLU C C 13 174.430 0.000 . 1 . . . . . 12 GLU C . 28084 1 71 . 1 . 1 13 13 GLU CA C 13 54.322 0.007 . 1 . . . . . 12 GLU CA . 28084 1 72 . 1 . 1 13 13 GLU CB C 13 29.800 0.064 . 1 . . . . . 12 GLU CB . 28084 1 73 . 1 . 1 13 13 GLU N N 15 126.679 0.006 . 1 . . . . . 12 GLU N . 28084 1 74 . 1 . 1 14 14 PRO HA H 1 4.249 0.004 . 1 . . . . . 13 PRO HA . 28084 1 75 . 1 . 1 14 14 PRO C C 13 176.768 0.000 . 1 . . . . . 13 PRO C . 28084 1 76 . 1 . 1 14 14 PRO CA C 13 63.373 0.062 . 1 . . . . . 13 PRO CA . 28084 1 77 . 1 . 1 14 14 PRO CB C 13 32.375 0.118 . 1 . . . . . 13 PRO CB . 28084 1 78 . 1 . 1 14 14 PRO CG C 13 27.148 0.000 . 9 . . . . . 13 PRO CG . 28084 1 79 . 1 . 1 15 15 ARG H H 1 8.324 0.004 . 1 . . . . . 14 ARG H . 28084 1 80 . 1 . 1 15 15 ARG C C 13 175.995 0.008 . 1 . . . . . 14 ARG C . 28084 1 81 . 1 . 1 15 15 ARG CA C 13 55.929 0.043 . 1 . . . . . 14 ARG CA . 28084 1 82 . 1 . 1 15 15 ARG CB C 13 30.495 0.016 . 1 . . . . . 14 ARG CB . 28084 1 83 . 1 . 1 15 15 ARG N N 15 120.054 0.050 . 1 . . . . . 14 ARG N . 28084 1 84 . 1 . 1 16 16 TYR H H 1 8.147 0.002 . 1 . . . . . 15 TYR H . 28084 1 85 . 1 . 1 16 16 TYR HA H 1 4.509 0.004 . 1 . . . . . 15 TYR HA . 28084 1 86 . 1 . 1 16 16 TYR C C 13 175.494 0.000 . 1 . . . . . 15 TYR C . 28084 1 87 . 1 . 1 16 16 TYR CA C 13 57.935 0.067 . 1 . . . . . 15 TYR CA . 28084 1 88 . 1 . 1 16 16 TYR CB C 13 38.744 0.028 . 1 . . . . . 15 TYR CB . 28084 1 89 . 1 . 1 16 16 TYR N N 15 120.927 0.004 . 1 . . . . . 15 TYR N . 28084 1 90 . 1 . 1 17 17 TYR H H 1 7.956 0.002 . 1 . . . . . 16 TYR H . 28084 1 91 . 1 . 1 17 17 TYR HA H 1 4.408 0.007 . 1 . . . . . 16 TYR HA . 28084 1 92 . 1 . 1 17 17 TYR C C 13 174.560 0.008 . 1 . . . . . 16 TYR C . 28084 1 93 . 1 . 1 17 17 TYR CA C 13 57.857 0.050 . 1 . . . . . 16 TYR CA . 28084 1 94 . 1 . 1 17 17 TYR CB C 13 38.935 0.036 . 1 . . . . . 16 TYR CB . 28084 1 95 . 1 . 1 17 17 TYR N N 15 121.045 0.007 . 1 . . . . . 16 TYR N . 28084 1 96 . 1 . 1 18 18 GLU H H 1 8.302 0.003 . 1 . . . . . 17 GLU H . 28084 1 97 . 1 . 1 18 18 GLU HA H 1 4.202 0.011 . 1 . . . . . 17 GLU HA . 28084 1 98 . 1 . 1 18 18 GLU C C 13 176.494 0.009 . 1 . . . . . 17 GLU C . 28084 1 99 . 1 . 1 18 18 GLU CA C 13 56.725 0.033 . 1 . . . . . 17 GLU CA . 28084 1 100 . 1 . 1 18 18 GLU CB C 13 30.269 0.000 . 1 . . . . . 17 GLU CB . 28084 1 101 . 1 . 1 18 18 GLU N N 15 121.943 0.006 . 1 . . . . . 17 GLU N . 28084 1 102 . 1 . 1 19 19 SER H H 1 8.256 0.002 . 1 . . . . . 18 SER H . 28084 1 103 . 1 . 1 19 19 SER HA H 1 4.339 0.003 . 1 . . . . . 18 SER HA . 28084 1 104 . 1 . 1 19 19 SER C C 13 174.417 0.000 . 1 . . . . . 18 SER C . 28084 1 105 . 1 . 1 19 19 SER CA C 13 58.814 0.017 . 1 . . . . . 18 SER CA . 28084 1 106 . 1 . 1 19 19 SER CB C 13 63.475 0.091 . 1 . . . . . 18 SER CB . 28084 1 107 . 1 . 1 19 19 SER N N 15 116.111 0.004 . 1 . . . . . 18 SER N . 28084 1 108 . 1 . 1 20 20 TRP H H 1 8.078 0.002 . 1 . . . . . 19 TRP H . 28084 1 109 . 1 . 1 20 20 TRP HA H 1 4.667 0.002 . 1 . . . . . 19 TRP HA . 28084 1 110 . 1 . 1 20 20 TRP C C 13 176.418 0.007 . 1 . . . . . 19 TRP C . 28084 1 111 . 1 . 1 20 20 TRP CA C 13 57.670 0.027 . 1 . . . . . 19 TRP CA . 28084 1 112 . 1 . 1 20 20 TRP CB C 13 29.449 0.000 . 1 . . . . . 19 TRP CB . 28084 1 113 . 1 . 1 20 20 TRP N N 15 122.831 0.004 . 1 . . . . . 19 TRP N . 28084 1 114 . 1 . 1 21 21 THR H H 1 7.896 0.003 . 1 . . . . . 20 THR H . 28084 1 115 . 1 . 1 21 21 THR HA H 1 4.193 0.007 . 1 . . . . . 20 THR HA . 28084 1 116 . 1 . 1 21 21 THR C C 13 174.858 0.000 . 1 . . . . . 20 THR C . 28084 1 117 . 1 . 1 21 21 THR CA C 13 61.767 0.038 . 1 . . . . . 20 THR CA . 28084 1 118 . 1 . 1 21 21 THR CB C 13 70.105 0.000 . 1 . . . . . 20 THR CB . 28084 1 119 . 1 . 1 21 21 THR N N 15 115.711 0.007 . 1 . . . . . 20 THR N . 28084 1 120 . 1 . 1 22 22 ARG H H 1 8.192 0.002 . 1 . . . . . 21 ARG H . 28084 1 121 . 1 . 1 22 22 ARG HA H 1 4.287 0.007 . 1 . . . . . 21 ARG HA . 28084 1 122 . 1 . 1 22 22 ARG C C 13 176.648 0.001 . 1 . . . . . 21 ARG C . 28084 1 123 . 1 . 1 22 22 ARG CA C 13 56.488 0.045 . 1 . . . . . 21 ARG CA . 28084 1 124 . 1 . 1 22 22 ARG CB C 13 30.514 0.000 . 1 . . . . . 21 ARG CB . 28084 1 125 . 1 . 1 22 22 ARG N N 15 122.706 0.000 . 1 . . . . . 21 ARG N . 28084 1 126 . 1 . 1 23 23 GLU H H 1 8.499 0.003 . 1 . . . . . 22 GLU H . 28084 1 127 . 1 . 1 23 23 GLU HA H 1 4.217 0.008 . 1 . . . . . 22 GLU HA . 28084 1 128 . 1 . 1 23 23 GLU C C 13 176.979 0.009 . 1 . . . . . 22 GLU C . 28084 1 129 . 1 . 1 23 23 GLU CA C 13 57.295 0.051 . 1 . . . . . 22 GLU CA . 28084 1 130 . 1 . 1 23 23 GLU CB C 13 29.955 0.000 . 1 . . . . . 22 GLU CB . 28084 1 131 . 1 . 1 23 23 GLU N N 15 121.276 0.005 . 1 . . . . . 22 GLU N . 28084 1 132 . 1 . 1 24 24 THR H H 1 8.109 0.003 . 1 . . . . . 23 THR H . 28084 1 133 . 1 . 1 24 24 THR HA H 1 4.279 0.001 . 1 . . . . . 23 THR HA . 28084 1 134 . 1 . 1 24 24 THR C C 13 174.769 0.006 . 1 . . . . . 23 THR C . 28084 1 135 . 1 . 1 24 24 THR CA C 13 62.197 0.067 . 1 . . . . . 23 THR CA . 28084 1 136 . 1 . 1 24 24 THR CB C 13 69.779 0.086 . 1 . . . . . 23 THR CB . 28084 1 137 . 1 . 1 24 24 THR N N 15 114.155 0.009 . 1 . . . . . 23 THR N . 28084 1 138 . 1 . 1 25 25 GLU H H 1 8.346 0.004 . 1 . . . . . 24 GLU H . 28084 1 139 . 1 . 1 25 25 GLU HA H 1 4.140 0.006 . 1 . . . . . 24 GLU HA . 28084 1 140 . 1 . 1 25 25 GLU C C 13 176.771 0.000 . 1 . . . . . 24 GLU C . 28084 1 141 . 1 . 1 25 25 GLU CA C 13 56.904 0.083 . 1 . . . . . 24 GLU CA . 28084 1 142 . 1 . 1 25 25 GLU CB C 13 30.026 0.081 . 1 . . . . . 24 GLU CB . 28084 1 143 . 1 . 1 25 25 GLU N N 15 122.951 0.002 . 1 . . . . . 24 GLU N . 28084 1 144 . 1 . 1 26 26 SER H H 1 8.391 0.002 . 1 . . . . . 25 SER H . 28084 1 145 . 1 . 1 26 26 SER HA H 1 4.363 0.001 . 1 . . . . . 25 SER HA . 28084 1 146 . 1 . 1 26 26 SER C C 13 175.028 0.002 . 1 . . . . . 25 SER C . 28084 1 147 . 1 . 1 26 26 SER CA C 13 58.799 0.035 . 1 . . . . . 25 SER CA . 28084 1 148 . 1 . 1 26 26 SER CB C 13 63.531 0.019 . 1 . . . . . 25 SER CB . 28084 1 149 . 1 . 1 26 26 SER N N 15 116.523 0.006 . 1 . . . . . 25 SER N . 28084 1 150 . 1 . 1 27 27 THR H H 1 8.069 0.002 . 1 . . . . . 26 THR H . 28084 1 151 . 1 . 1 27 27 THR HA H 1 4.254 0.003 . 1 . . . . . 26 THR HA . 28084 1 152 . 1 . 1 27 27 THR C C 13 174.470 0.000 . 1 . . . . . 26 THR C . 28084 1 153 . 1 . 1 27 27 THR CA C 13 62.449 0.016 . 1 . . . . . 26 THR CA . 28084 1 154 . 1 . 1 27 27 THR CB C 13 69.555 0.000 . 1 . . . . . 26 THR CB . 28084 1 155 . 1 . 1 27 27 THR N N 15 115.563 0.005 . 1 . . . . . 26 THR N . 28084 1 156 . 1 . 1 28 28 TRP H H 1 8.030 0.001 . 1 . . . . . 27 TRP H . 28084 1 157 . 1 . 1 28 28 TRP HA H 1 4.682 0.002 . 1 . . . . . 27 TRP HA . 28084 1 158 . 1 . 1 28 28 TRP C C 13 176.065 0.012 . 1 . . . . . 27 TRP C . 28084 1 159 . 1 . 1 28 28 TRP CA C 13 57.326 0.045 . 1 . . . . . 27 TRP CA . 28084 1 160 . 1 . 1 28 28 TRP CB C 13 29.405 0.054 . 1 . . . . . 27 TRP CB . 28084 1 161 . 1 . 1 28 28 TRP N N 15 122.736 0.009 . 1 . . . . . 27 TRP N . 28084 1 162 . 1 . 1 29 29 LEU H H 1 7.988 0.005 . 1 . . . . . 28 LEU H . 28084 1 163 . 1 . 1 29 29 LEU HA H 1 4.295 0.005 . 1 . . . . . 28 LEU HA . 28084 1 164 . 1 . 1 29 29 LEU C C 13 177.079 0.019 . 1 . . . . . 28 LEU C . 28084 1 165 . 1 . 1 29 29 LEU CA C 13 55.259 0.031 . 1 . . . . . 28 LEU CA . 28084 1 166 . 1 . 1 29 29 LEU CB C 13 42.511 0.009 . 1 . . . . . 28 LEU CB . 28084 1 167 . 1 . 1 29 29 LEU N N 15 123.158 0.011 . 1 . . . . . 28 LEU N . 28084 1 168 . 1 . 1 30 30 THR H H 1 7.989 0.002 . 1 . . . . . 29 THR H . 28084 1 169 . 1 . 1 30 30 THR HA H 1 4.294 0.003 . 1 . . . . . 29 THR HA . 28084 1 170 . 1 . 1 30 30 THR C C 13 174.010 0.030 . 1 . . . . . 29 THR C . 28084 1 171 . 1 . 1 30 30 THR CA C 13 61.735 0.045 . 1 . . . . . 29 THR CA . 28084 1 172 . 1 . 1 30 30 THR CB C 13 69.844 0.000 . 1 . . . . . 29 THR CB . 28084 1 173 . 1 . 1 30 30 THR N N 15 114.124 0.005 . 1 . . . . . 29 THR N . 28084 1 174 . 1 . 1 31 31 TYR H H 1 8.226 0.002 . 1 . . . . . 30 TYR H . 28084 1 175 . 1 . 1 31 31 TYR HA H 1 4.641 0.005 . 1 . . . . . 30 TYR HA . 28084 1 176 . 1 . 1 31 31 TYR C C 13 175.788 0.005 . 1 . . . . . 30 TYR C . 28084 1 177 . 1 . 1 31 31 TYR CA C 13 57.916 0.044 . 1 . . . . . 30 TYR CA . 28084 1 178 . 1 . 1 31 31 TYR CB C 13 39.031 0.037 . 1 . . . . . 30 TYR CB . 28084 1 179 . 1 . 1 31 31 TYR N N 15 122.667 0.003 . 1 . . . . . 30 TYR N . 28084 1 180 . 1 . 1 32 32 THR H H 1 8.171 0.003 . 1 . . . . . 31 THR H . 28084 1 181 . 1 . 1 32 32 THR HA H 1 4.338 0.002 . 1 . . . . . 31 THR HA . 28084 1 182 . 1 . 1 32 32 THR C C 13 173.973 0.005 . 1 . . . . . 31 THR C . 28084 1 183 . 1 . 1 32 32 THR CA C 13 61.435 0.043 . 1 . . . . . 31 THR CA . 28084 1 184 . 1 . 1 32 32 THR CB C 13 70.247 0.007 . 1 . . . . . 31 THR CB . 28084 1 185 . 1 . 1 32 32 THR N N 15 116.181 0.004 . 1 . . . . . 31 THR N . 28084 1 186 . 1 . 1 33 33 ASP H H 1 8.393 0.003 . 1 . . . . . 32 ASP H . 28084 1 187 . 1 . 1 33 33 ASP HA H 1 4.629 0.026 . 1 . . . . . 32 ASP HA . 28084 1 188 . 1 . 1 33 33 ASP C C 13 176.293 0.002 . 1 . . . . . 32 ASP C . 28084 1 189 . 1 . 1 33 33 ASP CA C 13 54.392 0.083 . 1 . . . . . 32 ASP CA . 28084 1 190 . 1 . 1 33 33 ASP CB C 13 41.110 0.055 . 1 . . . . . 32 ASP CB . 28084 1 191 . 1 . 1 33 33 ASP N N 15 122.729 0.002 . 1 . . . . . 32 ASP N . 28084 1 192 . 1 . 1 34 34 SER H H 1 8.297 0.007 . 1 . . . . . 33 SER H . 28084 1 193 . 1 . 1 34 34 SER HA H 1 4.460 0.006 . 1 . . . . . 33 SER HA . 28084 1 194 . 1 . 1 34 34 SER C C 13 174.309 0.000 . 1 . . . . . 33 SER C . 28084 1 195 . 1 . 1 34 34 SER CA C 13 58.522 0.103 . 1 . . . . . 33 SER CA . 28084 1 196 . 1 . 1 34 34 SER CB C 13 63.943 0.097 . 1 . . . . . 33 SER CB . 28084 1 197 . 1 . 1 34 34 SER N N 15 116.152 0.001 . 1 . . . . . 33 SER N . 28084 1 198 . 1 . 1 35 35 ASP H H 1 8.362 0.003 . 1 . . . . . 34 ASP H . 28084 1 199 . 1 . 1 35 35 ASP HA H 1 4.635 0.008 . 1 . . . . . 34 ASP HA . 28084 1 200 . 1 . 1 35 35 ASP C C 13 175.491 0.001 . 1 . . . . . 34 ASP C . 28084 1 201 . 1 . 1 35 35 ASP CA C 13 54.196 0.033 . 1 . . . . . 34 ASP CA . 28084 1 202 . 1 . 1 35 35 ASP CB C 13 41.110 0.019 . 1 . . . . . 34 ASP CB . 28084 1 203 . 1 . 1 35 35 ASP N N 15 122.111 0.004 . 1 . . . . . 34 ASP N . 28084 1 204 . 1 . 1 36 36 ALA H H 1 8.054 0.002 . 1 . . . . . 35 ALA H . 28084 1 205 . 1 . 1 36 36 ALA HA H 1 4.517 0.001 . 1 . . . . . 35 ALA HA . 28084 1 206 . 1 . 1 36 36 ALA C C 13 174.946 0.000 . 1 . . . . . 35 ALA C . 28084 1 207 . 1 . 1 36 36 ALA CA C 13 50.544 0.003 . 1 . . . . . 35 ALA CA . 28084 1 208 . 1 . 1 36 36 ALA CB C 13 18.171 0.032 . 1 . . . . . 35 ALA CB . 28084 1 209 . 1 . 1 36 36 ALA N N 15 125.075 0.009 . 1 . . . . . 35 ALA N . 28084 1 210 . 1 . 1 37 37 PRO HA H 1 4.659 0.000 . 1 . . . . . 36 PRO HA . 28084 1 211 . 1 . 1 37 37 PRO CA C 13 61.378 0.000 . 1 . . . . . 36 PRO CA . 28084 1 212 . 1 . 1 37 37 PRO CB C 13 30.785 0.004 . 1 . . . . . 36 PRO CB . 28084 1 213 . 1 . 1 38 38 PRO HA H 1 4.432 0.011 . 1 . . . . . 37 PRO HA . 28084 1 214 . 1 . 1 38 38 PRO C C 13 177.058 0.000 . 1 . . . . . 37 PRO C . 28084 1 215 . 1 . 1 38 38 PRO CA C 13 63.029 0.033 . 1 . . . . . 37 PRO CA . 28084 1 216 . 1 . 1 38 38 PRO CB C 13 31.972 0.000 . 1 . . . . . 37 PRO CB . 28084 1 217 . 1 . 1 38 38 PRO CG C 13 27.255 0.000 . 1 . . . . . 37 PRO CG . 28084 1 218 . 1 . 1 39 39 SER H H 1 8.452 0.003 . 1 . . . . . 38 SER H . 28084 1 219 . 1 . 1 39 39 SER HA H 1 4.377 0.001 . 1 . . . . . 38 SER HA . 28084 1 220 . 1 . 1 39 39 SER C C 13 174.336 0.005 . 1 . . . . . 38 SER C . 28084 1 221 . 1 . 1 39 39 SER CA C 13 58.275 0.074 . 1 . . . . . 38 SER CA . 28084 1 222 . 1 . 1 39 39 SER CB C 13 63.786 0.078 . 1 . . . . . 38 SER CB . 28084 1 223 . 1 . 1 39 39 SER N N 15 116.182 0.004 . 1 . . . . . 38 SER N . 28084 1 224 . 1 . 1 40 40 ALA H H 1 8.424 0.003 . 1 . . . . . 39 ALA H . 28084 1 225 . 1 . 1 40 40 ALA HA H 1 4.327 0.001 . 1 . . . . . 39 ALA HA . 28084 1 226 . 1 . 1 40 40 ALA C C 13 177.197 0.007 . 1 . . . . . 39 ALA C . 28084 1 227 . 1 . 1 40 40 ALA CA C 13 52.288 0.050 . 1 . . . . . 39 ALA CA . 28084 1 228 . 1 . 1 40 40 ALA CB C 13 19.382 0.049 . 1 . . . . . 39 ALA CB . 28084 1 229 . 1 . 1 40 40 ALA N N 15 126.387 0.008 . 1 . . . . . 39 ALA N . 28084 1 230 . 1 . 1 41 41 ALA H H 1 8.284 0.002 . 1 . . . . . 40 ALA H . 28084 1 231 . 1 . 1 41 41 ALA HA H 1 4.271 0.000 . 1 . . . . . 40 ALA HA . 28084 1 232 . 1 . 1 41 41 ALA C C 13 177.159 0.003 . 1 . . . . . 40 ALA C . 28084 1 233 . 1 . 1 41 41 ALA CA C 13 52.077 0.039 . 1 . . . . . 40 ALA CA . 28084 1 234 . 1 . 1 41 41 ALA CB C 13 19.307 0.035 . 1 . . . . . 40 ALA CB . 28084 1 235 . 1 . 1 41 41 ALA N N 15 123.679 0.010 . 1 . . . . . 40 ALA N . 28084 1 236 . 1 . 1 42 42 ALA H H 1 8.408 0.002 . 1 . . . . . 41 ALA H . 28084 1 237 . 1 . 1 42 42 ALA HA H 1 4.568 0.001 . 1 . . . . . 41 ALA HA . 28084 1 238 . 1 . 1 42 42 ALA C C 13 175.762 0.000 . 1 . . . . . 41 ALA C . 28084 1 239 . 1 . 1 42 42 ALA CA C 13 50.372 0.052 . 1 . . . . . 41 ALA CA . 28084 1 240 . 1 . 1 42 42 ALA CB C 13 18.165 0.013 . 1 . . . . . 41 ALA CB . 28084 1 241 . 1 . 1 42 42 ALA N N 15 125.251 0.006 . 1 . . . . . 41 ALA N . 28084 1 242 . 1 . 1 43 43 PRO HA H 1 4.419 0.004 . 1 . . . . . 42 PRO HA . 28084 1 243 . 1 . 1 43 43 PRO C C 13 176.731 0.000 . 1 . . . . . 42 PRO C . 28084 1 244 . 1 . 1 43 43 PRO CA C 13 63.195 0.025 . 1 . . . . . 42 PRO CA . 28084 1 245 . 1 . 1 43 43 PRO CB C 13 32.024 0.028 . 1 . . . . . 42 PRO CB . 28084 1 246 . 1 . 1 43 43 PRO CG C 13 27.438 0.000 . 1 . . . . . 42 PRO CG . 28084 1 247 . 1 . 1 44 44 ASP H H 1 8.516 0.003 . 1 . . . . . 43 ASP H . 28084 1 248 . 1 . 1 44 44 ASP HA H 1 4.595 0.000 . 1 . . . . . 43 ASP HA . 28084 1 249 . 1 . 1 44 44 ASP C C 13 176.216 0.038 . 1 . . . . . 43 ASP C . 28084 1 250 . 1 . 1 44 44 ASP CA C 13 54.346 0.047 . 1 . . . . . 43 ASP CA . 28084 1 251 . 1 . 1 44 44 ASP CB C 13 41.066 0.002 . 1 . . . . . 43 ASP CB . 28084 1 252 . 1 . 1 44 44 ASP N N 15 120.373 0.004 . 1 . . . . . 43 ASP N . 28084 1 253 . 1 . 1 45 45 SER H H 1 8.322 0.005 . 1 . . . . . 44 SER H . 28084 1 254 . 1 . 1 45 45 SER HA H 1 4.397 0.014 . 1 . . . . . 44 SER HA . 28084 1 255 . 1 . 1 45 45 SER C C 13 174.704 0.000 . 1 . . . . . 44 SER C . 28084 1 256 . 1 . 1 45 45 SER CA C 13 58.349 0.037 . 1 . . . . . 44 SER CA . 28084 1 257 . 1 . 1 45 45 SER CB C 13 63.804 0.054 . 1 . . . . . 44 SER CB . 28084 1 258 . 1 . 1 45 45 SER N N 15 116.177 0.013 . 1 . . . . . 44 SER N . 28084 1 259 . 1 . 1 46 46 GLY H H 1 8.428 0.003 . 1 . . . . . 45 GLY H . 28084 1 260 . 1 . 1 46 46 GLY HA2 H 1 4.144 0.011 . 1 . . . . . 45 GLY HA2 . 28084 1 261 . 1 . 1 46 46 GLY HA3 H 1 4.144 0.011 . 1 . . . . . 45 GLY HA3 . 28084 1 262 . 1 . 1 46 46 GLY C C 13 179.285 0.000 . 1 . . . . . 45 GLY C . 28084 1 263 . 1 . 1 46 46 GLY CA C 13 44.801 0.054 . 1 . . . . . 45 GLY CA . 28084 1 264 . 1 . 1 46 46 GLY N N 15 110.866 0.003 . 1 . . . . . 45 GLY N . 28084 1 265 . 1 . 1 47 47 PRO HA H 1 4.413 0.001 . 1 . . . . . 46 PRO HA . 28084 1 266 . 1 . 1 47 47 PRO C C 13 177.572 0.000 . 1 . . . . . 46 PRO C . 28084 1 267 . 1 . 1 47 47 PRO CA C 13 63.563 0.022 . 1 . . . . . 46 PRO CA . 28084 1 268 . 1 . 1 47 47 PRO CB C 13 32.090 0.027 . 1 . . . . . 46 PRO CB . 28084 1 269 . 1 . 1 47 47 PRO CG C 13 27.299 0.042 . 1 . . . . . 46 PRO CG . 28084 1 270 . 1 . 1 48 48 GLU H H 1 8.721 0.003 . 1 . . . . . 47 GLU H . 28084 1 271 . 1 . 1 48 48 GLU HA H 1 4.259 0.000 . 1 . . . . . 47 GLU HA . 28084 1 272 . 1 . 1 48 48 GLU C C 13 176.716 0.012 . 1 . . . . . 47 GLU C . 28084 1 273 . 1 . 1 48 48 GLU CA C 13 56.773 0.021 . 1 . . . . . 47 GLU CA . 28084 1 274 . 1 . 1 48 48 GLU CB C 13 29.614 0.053 . 1 . . . . . 47 GLU CB . 28084 1 275 . 1 . 1 48 48 GLU N N 15 120.725 0.003 . 1 . . . . . 47 GLU N . 28084 1 276 . 1 . 1 49 49 ALA H H 1 8.316 0.001 . 1 . . . . . 48 ALA H . 28084 1 277 . 1 . 1 49 49 ALA HA H 1 4.277 0.013 . 1 . . . . . 48 ALA HA . 28084 1 278 . 1 . 1 49 49 ALA C C 13 178.485 0.006 . 1 . . . . . 48 ALA C . 28084 1 279 . 1 . 1 49 49 ALA CA C 13 52.855 0.049 . 1 . . . . . 48 ALA CA . 28084 1 280 . 1 . 1 49 49 ALA CB C 13 19.134 0.009 . 1 . . . . . 48 ALA CB . 28084 1 281 . 1 . 1 49 49 ALA N N 15 125.159 0.008 . 1 . . . . . 48 ALA N . 28084 1 282 . 1 . 1 50 50 GLY H H 1 8.460 0.001 . 1 . . . . . 49 GLY H . 28084 1 283 . 1 . 1 50 50 GLY HA2 H 1 3.964 0.001 . 1 . . . . . 49 GLY HA2 . 28084 1 284 . 1 . 1 50 50 GLY HA3 H 1 3.964 0.001 . 1 . . . . . 49 GLY HA3 . 28084 1 285 . 1 . 1 50 50 GLY C C 13 174.925 0.007 . 1 . . . . . 49 GLY C . 28084 1 286 . 1 . 1 50 50 GLY CA C 13 45.476 0.018 . 1 . . . . . 49 GLY CA . 28084 1 287 . 1 . 1 50 50 GLY N N 15 108.120 0.008 . 1 . . . . . 49 GLY N . 28084 1 288 . 1 . 1 51 51 GLY H H 1 8.264 0.001 . 1 . . . . . 50 GLY H . 28084 1 289 . 1 . 1 51 51 GLY HA2 H 1 3.941 0.000 . 1 . . . . . 50 GLY HA2 . 28084 1 290 . 1 . 1 51 51 GLY HA3 H 1 3.941 0.000 . 1 . . . . . 50 GLY HA3 . 28084 1 291 . 1 . 1 51 51 GLY C C 13 174.243 0.005 . 1 . . . . . 50 GLY C . 28084 1 292 . 1 . 1 51 51 GLY CA C 13 45.259 0.037 . 1 . . . . . 50 GLY CA . 28084 1 293 . 1 . 1 51 51 GLY N N 15 108.477 0.005 . 1 . . . . . 50 GLY N . 28084 1 294 . 1 . 1 52 52 LEU H H 1 8.185 0.003 . 1 . . . . . 51 LEU H . 28084 1 295 . 1 . 1 52 52 LEU HA H 1 4.292 0.011 . 1 . . . . . 51 LEU HA . 28084 1 296 . 1 . 1 52 52 LEU C C 13 177.543 0.017 . 1 . . . . . 51 LEU C . 28084 1 297 . 1 . 1 52 52 LEU CA C 13 55.358 0.040 . 1 . . . . . 51 LEU CA . 28084 1 298 . 1 . 1 52 52 LEU CB C 13 42.327 0.026 . 1 . . . . . 51 LEU CB . 28084 1 299 . 1 . 1 52 52 LEU N N 15 121.417 0.002 . 1 . . . . . 51 LEU N . 28084 1 300 . 1 . 1 53 53 HIS H H 1 8.623 0.002 . 1 . . . . . 52 HIS H . 28084 1 301 . 1 . 1 53 53 HIS HA H 1 4.706 0.003 . 1 . . . . . 52 HIS HA . 28084 1 302 . 1 . 1 53 53 HIS C C 13 174.659 0.003 . 1 . . . . . 52 HIS C . 28084 1 303 . 1 . 1 53 53 HIS CA C 13 55.445 0.026 . 1 . . . . . 52 HIS CA . 28084 1 304 . 1 . 1 53 53 HIS CB C 13 29.089 0.077 . 1 . . . . . 52 HIS CB . 28084 1 305 . 1 . 1 53 53 HIS N N 15 119.078 0.010 . 1 . . . . . 52 HIS N . 28084 1 306 . 1 . 1 54 54 SER H H 1 8.367 0.002 . 1 . . . . . 53 SER H . 28084 1 307 . 1 . 1 54 54 SER HA H 1 4.457 0.003 . 1 . . . . . 53 SER HA . 28084 1 308 . 1 . 1 54 54 SER C C 13 174.926 0.054 . 1 . . . . . 53 SER C . 28084 1 309 . 1 . 1 54 54 SER CA C 13 58.553 0.035 . 1 . . . . . 53 SER CA . 28084 1 310 . 1 . 1 54 54 SER CB C 13 63.784 0.025 . 1 . . . . . 53 SER CB . 28084 1 311 . 1 . 1 54 54 SER N N 15 117.125 0.006 . 1 . . . . . 53 SER N . 28084 1 312 . 1 . 1 55 55 VAL H H 1 8.341 0.002 . 1 . . . . . 54 VAL H . 28084 1 313 . 1 . 1 55 55 VAL HA H 1 4.099 0.001 . 1 . . . . . 54 VAL HA . 28084 1 314 . 1 . 1 55 55 VAL C C 13 176.532 0.000 . 1 . . . . . 54 VAL C . 28084 1 315 . 1 . 1 55 55 VAL CA C 13 62.992 0.018 . 1 . . . . . 54 VAL CA . 28084 1 316 . 1 . 1 55 55 VAL CB C 13 32.599 0.001 . 1 . . . . . 54 VAL CB . 28084 1 317 . 1 . 1 55 55 VAL N N 15 122.631 0.001 . 1 . . . . . 54 VAL N . 28084 1 318 . 1 . 1 56 56 LEU H H 1 8.318 0.002 . 1 . . . . . 55 LEU H . 28084 1 319 . 1 . 1 56 56 LEU HA H 1 4.310 0.003 . 1 . . . . . 55 LEU HA . 28084 1 320 . 1 . 1 56 56 LEU C C 13 177.977 0.001 . 1 . . . . . 55 LEU C . 28084 1 321 . 1 . 1 56 56 LEU CA C 13 55.616 0.040 . 1 . . . . . 55 LEU CA . 28084 1 322 . 1 . 1 56 56 LEU CB C 13 42.157 0.004 . 1 . . . . . 55 LEU CB . 28084 1 323 . 1 . 1 56 56 LEU N N 15 124.920 0.004 . 1 . . . . . 55 LEU N . 28084 1 324 . 1 . 1 57 57 GLU H H 1 8.377 0.003 . 1 . . . . . 56 GLU H . 28084 1 325 . 1 . 1 57 57 GLU HA H 1 4.168 0.002 . 1 . . . . . 56 GLU HA . 28084 1 326 . 1 . 1 57 57 GLU C C 13 177.021 0.004 . 1 . . . . . 56 GLU C . 28084 1 327 . 1 . 1 57 57 GLU CA C 13 57.170 0.015 . 1 . . . . . 56 GLU CA . 28084 1 328 . 1 . 1 57 57 GLU CB C 13 30.051 0.043 . 1 . . . . . 56 GLU CB . 28084 1 329 . 1 . 1 57 57 GLU N N 15 121.819 0.001 . 1 . . . . . 56 GLU N . 28084 1 330 . 1 . 1 58 58 ALA H H 1 8.321 0.003 . 1 . . . . . 57 ALA H . 28084 1 331 . 1 . 1 58 58 ALA HA H 1 4.219 0.006 . 1 . . . . . 57 ALA HA . 28084 1 332 . 1 . 1 58 58 ALA C C 13 178.583 0.002 . 1 . . . . . 57 ALA C . 28084 1 333 . 1 . 1 58 58 ALA CA C 13 53.276 0.037 . 1 . . . . . 57 ALA CA . 28084 1 334 . 1 . 1 58 58 ALA CB C 13 18.897 0.063 . 1 . . . . . 57 ALA CB . 28084 1 335 . 1 . 1 58 58 ALA N N 15 124.281 0.003 . 1 . . . . . 57 ALA N . 28084 1 336 . 1 . 1 59 59 GLU H H 1 8.328 0.001 . 1 . . . . . 58 GLU H . 28084 1 337 . 1 . 1 59 59 GLU HA H 1 4.186 0.000 . 1 . . . . . 58 GLU HA . 28084 1 338 . 1 . 1 59 59 GLU C C 13 177.420 0.000 . 1 . . . . . 58 GLU C . 28084 1 339 . 1 . 1 59 59 GLU CA C 13 57.177 0.046 . 1 . . . . . 58 GLU CA . 28084 1 340 . 1 . 1 59 59 GLU CB C 13 29.866 0.000 . 1 . . . . . 58 GLU CB . 28084 1 341 . 1 . 1 59 59 GLU N N 15 119.434 0.012 . 1 . . . . . 58 GLU N . 28084 1 342 . 1 . 1 60 60 LYS H H 1 8.240 0.003 . 1 . . . . . 59 LYS H . 28084 1 343 . 1 . 1 60 60 LYS HA H 1 4.249 0.007 . 1 . . . . . 59 LYS HA . 28084 1 344 . 1 . 1 60 60 LYS C C 13 177.250 0.002 . 1 . . . . . 59 LYS C . 28084 1 345 . 1 . 1 60 60 LYS CA C 13 57.168 0.069 . 1 . . . . . 59 LYS CA . 28084 1 346 . 1 . 1 60 60 LYS CB C 13 32.903 0.019 . 1 . . . . . 59 LYS CB . 28084 1 347 . 1 . 1 60 60 LYS N N 15 121.730 0.004 . 1 . . . . . 59 LYS N . 28084 1 348 . 1 . 1 61 61 SER H H 1 8.241 0.002 . 1 . . . . . 60 SER H . 28084 1 349 . 1 . 1 61 61 SER HA H 1 4.370 0.001 . 1 . . . . . 60 SER HA . 28084 1 350 . 1 . 1 61 61 SER C C 13 174.678 0.000 . 1 . . . . . 60 SER C . 28084 1 351 . 1 . 1 61 61 SER CA C 13 58.821 0.027 . 1 . . . . . 60 SER CA . 28084 1 352 . 1 . 1 61 61 SER CB C 13 63.571 0.065 . 1 . . . . . 60 SER CB . 28084 1 353 . 1 . 1 61 61 SER N N 15 115.679 0.002 . 1 . . . . . 60 SER N . 28084 1 354 . 1 . 1 62 62 LYS H H 1 8.197 0.002 . 1 . . . . . 61 LYS H . 28084 1 355 . 1 . 1 62 62 LYS HA H 1 4.311 0.008 . 1 . . . . . 61 LYS HA . 28084 1 356 . 1 . 1 62 62 LYS C C 13 176.513 0.005 . 1 . . . . . 61 LYS C . 28084 1 357 . 1 . 1 62 62 LYS CA C 13 56.398 0.016 . 1 . . . . . 61 LYS CA . 28084 1 358 . 1 . 1 62 62 LYS CB C 13 32.940 0.055 . 1 . . . . . 61 LYS CB . 28084 1 359 . 1 . 1 62 62 LYS N N 15 123.075 0.004 . 1 . . . . . 61 LYS N . 28084 1 360 . 1 . 1 63 63 ILE H H 1 8.084 0.004 . 1 . . . . . 62 ILE H . 28084 1 361 . 1 . 1 63 63 ILE HA H 1 4.099 0.004 . 1 . . . . . 62 ILE HA . 28084 1 362 . 1 . 1 63 63 ILE C C 13 176.121 0.001 . 1 . . . . . 62 ILE C . 28084 1 363 . 1 . 1 63 63 ILE CA C 13 61.068 0.042 . 1 . . . . . 62 ILE CA . 28084 1 364 . 1 . 1 63 63 ILE CB C 13 38.541 0.042 . 1 . . . . . 62 ILE CB . 28084 1 365 . 1 . 1 63 63 ILE N N 15 122.060 0.003 . 1 . . . . . 62 ILE N . 28084 1 366 . 1 . 1 64 64 LYS H H 1 8.475 0.004 . 1 . . . . . 63 LYS H . 28084 1 367 . 1 . 1 64 64 LYS HA H 1 4.321 0.007 . 1 . . . . . 63 LYS HA . 28084 1 368 . 1 . 1 64 64 LYS C C 13 175.722 0.001 . 1 . . . . . 63 LYS C . 28084 1 369 . 1 . 1 64 64 LYS CA C 13 55.882 0.039 . 1 . . . . . 63 LYS CA . 28084 1 370 . 1 . 1 64 64 LYS CB C 13 33.104 0.064 . 1 . . . . . 63 LYS CB . 28084 1 371 . 1 . 1 64 64 LYS N N 15 127.006 0.009 . 1 . . . . . 63 LYS N . 28084 1 372 . 1 . 1 65 65 ALA H H 1 8.510 0.003 . 1 . . . . . 64 ALA H . 28084 1 373 . 1 . 1 65 65 ALA HA H 1 4.590 0.006 . 1 . . . . . 64 ALA HA . 28084 1 374 . 1 . 1 65 65 ALA C C 13 175.893 0.000 . 1 . . . . . 64 ALA C . 28084 1 375 . 1 . 1 65 65 ALA CA C 13 50.514 0.013 . 1 . . . . . 64 ALA CA . 28084 1 376 . 1 . 1 65 65 ALA CB C 13 18.137 0.002 . 1 . . . . . 64 ALA CB . 28084 1 377 . 1 . 1 65 65 ALA N N 15 127.886 0.010 . 1 . . . . . 64 ALA N . 28084 1 378 . 1 . 1 66 66 PRO HA H 1 4.496 0.006 . 1 . . . . . 65 PRO HA . 28084 1 379 . 1 . 1 66 66 PRO C C 13 177.287 0.000 . 1 . . . . . 65 PRO C . 28084 1 380 . 1 . 1 66 66 PRO CA C 13 63.352 0.027 . 1 . . . . . 65 PRO CA . 28084 1 381 . 1 . 1 66 66 PRO CB C 13 32.246 0.000 . 1 . . . . . 65 PRO CB . 28084 1 382 . 1 . 1 66 66 PRO CG C 13 27.450 0.000 . 9 . . . . . 65 PRO CG . 28084 1 383 . 1 . 1 67 67 THR H H 1 8.203 0.003 . 1 . . . . . 66 THR H . 28084 1 384 . 1 . 1 67 67 THR HA H 1 4.329 0.006 . 1 . . . . . 66 THR HA . 28084 1 385 . 1 . 1 67 67 THR C C 13 174.388 0.010 . 1 . . . . . 66 THR C . 28084 1 386 . 1 . 1 67 67 THR CA C 13 61.617 0.118 . 1 . . . . . 66 THR CA . 28084 1 387 . 1 . 1 67 67 THR CB C 13 69.804 0.065 . 1 . . . . . 66 THR CB . 28084 1 388 . 1 . 1 67 67 THR N N 15 112.958 0.006 . 1 . . . . . 66 THR N . 28084 1 389 . 1 . 1 68 68 ASP H H 1 8.332 0.002 . 5 . . . . . 67 ASP H . 28084 1 390 . 1 . 1 68 68 ASP HA H 1 4.638 0.011 . 5 . . . . . 67 ASP HA . 28084 1 391 . 1 . 1 68 68 ASP C C 13 176.185 0.000 . 5 . . . . . 67 ASP C . 28084 1 392 . 1 . 1 68 68 ASP CA C 13 54.453 0.050 . 5 . . . . . 67 ASP CA . 28084 1 393 . 1 . 1 68 68 ASP CB C 13 41.178 0.031 . 5 . . . . . 67 ASP CB . 28084 1 394 . 1 . 1 68 68 ASP N N 15 122.487 0.006 . 5 . . . . . 67 ASP N . 28084 1 395 . 1 . 1 69 69 SER H H 1 8.312 0.003 . 5 . . . . . 68 SER H . 28084 1 396 . 1 . 1 69 69 SER HA H 1 4.415 0.003 . 5 . . . . . 68 SER HA . 28084 1 397 . 1 . 1 69 69 SER C C 13 175.573 0.000 . 5 . . . . . 68 SER C . 28084 1 398 . 1 . 1 69 69 SER CA C 13 58.416 0.076 . 5 . . . . . 68 SER CA . 28084 1 399 . 1 . 1 69 69 SER CB C 13 63.887 0.011 . 5 . . . . . 68 SER CB . 28084 1 400 . 1 . 1 69 69 SER N N 15 116.222 0.007 . 5 . . . . . 68 SER N . 28084 1 401 . 1 . 1 70 70 VAL H H 1 8.302 0.002 . 1 . . . . . 69 VAL H . 28084 1 402 . 1 . 1 70 70 VAL HA H 1 4.186 0.007 . 1 . . . . . 69 VAL HA . 28084 1 403 . 1 . 1 70 70 VAL C C 13 176.372 0.003 . 1 . . . . . 69 VAL C . 28084 1 404 . 1 . 1 70 70 VAL CA C 13 62.392 0.022 . 1 . . . . . 69 VAL CA . 28084 1 405 . 1 . 1 70 70 VAL CB C 13 32.800 0.045 . 1 . . . . . 69 VAL CB . 28084 1 406 . 1 . 1 70 70 VAL N N 15 121.951 0.002 . 1 . . . . . 69 VAL N . 28084 1 407 . 1 . 1 71 71 SER H H 1 8.469 0.002 . 1 . . . . . 70 SER H . 28084 1 408 . 1 . 1 71 71 SER HA H 1 4.481 0.001 . 1 . . . . . 70 SER HA . 28084 1 409 . 1 . 1 71 71 SER C C 13 174.363 0.024 . 1 . . . . . 70 SER C . 28084 1 410 . 1 . 1 71 71 SER CA C 13 58.453 0.054 . 1 . . . . . 70 SER CA . 28084 1 411 . 1 . 1 71 71 SER CB C 13 63.956 0.023 . 1 . . . . . 70 SER CB . 28084 1 412 . 1 . 1 71 71 SER N N 15 119.501 0.007 . 1 . . . . . 70 SER N . 28084 1 413 . 1 . 1 72 72 ASP H H 1 8.335 0.003 . 1 . . . . . 71 ASP H . 28084 1 414 . 1 . 1 72 72 ASP HA H 1 4.647 0.000 . 1 . . . . . 71 ASP HA . 28084 1 415 . 1 . 1 72 72 ASP C C 13 176.618 0.025 . 1 . . . . . 71 ASP C . 28084 1 416 . 1 . 1 72 72 ASP CA C 13 54.415 0.024 . 1 . . . . . 71 ASP CA . 28084 1 417 . 1 . 1 72 72 ASP CB C 13 41.180 0.003 . 1 . . . . . 71 ASP CB . 28084 1 418 . 1 . 1 72 72 ASP N N 15 122.504 0.008 . 1 . . . . . 71 ASP N . 28084 1 419 . 1 . 1 73 73 GLU H H 1 8.506 0.002 . 1 . . . . . 72 GLU H . 28084 1 420 . 1 . 1 73 73 GLU HA H 1 4.218 0.000 . 1 . . . . . 72 GLU HA . 28084 1 421 . 1 . 1 73 73 GLU C C 13 177.432 0.001 . 1 . . . . . 72 GLU C . 28084 1 422 . 1 . 1 73 73 GLU CA C 13 57.360 0.022 . 1 . . . . . 72 GLU CA . 28084 1 423 . 1 . 1 73 73 GLU CB C 13 29.875 0.040 . 1 . . . . . 72 GLU CB . 28084 1 424 . 1 . 1 73 73 GLU N N 15 121.692 0.004 . 1 . . . . . 72 GLU N . 28084 1 425 . 1 . 1 74 74 GLY H H 1 8.518 0.002 . 1 . . . . . 73 GLY H . 28084 1 426 . 1 . 1 74 74 GLY HA2 H 1 3.909 0.001 . 1 . . . . . 73 GLY HA2 . 28084 1 427 . 1 . 1 74 74 GLY HA3 H 1 3.909 0.001 . 1 . . . . . 73 GLY HA3 . 28084 1 428 . 1 . 1 74 74 GLY C C 13 174.694 0.003 . 1 . . . . . 73 GLY C . 28084 1 429 . 1 . 1 74 74 GLY CA C 13 45.580 0.050 . 1 . . . . . 73 GLY CA . 28084 1 430 . 1 . 1 74 74 GLY N N 15 109.315 0.008 . 1 . . . . . 73 GLY N . 28084 1 431 . 1 . 1 75 75 LEU H H 1 7.985 0.001 . 1 . . . . . 74 LEU H . 28084 1 432 . 1 . 1 75 75 LEU HA H 1 4.216 0.003 . 1 . . . . . 74 LEU HA . 28084 1 433 . 1 . 1 75 75 LEU C C 13 177.675 0.008 . 1 . . . . . 74 LEU C . 28084 1 434 . 1 . 1 75 75 LEU CA C 13 55.685 0.027 . 1 . . . . . 74 LEU CA . 28084 1 435 . 1 . 1 75 75 LEU CB C 13 42.241 0.019 . 1 . . . . . 74 LEU CB . 28084 1 436 . 1 . 1 75 75 LEU N N 15 121.301 0.008 . 1 . . . . . 74 LEU N . 28084 1 437 . 1 . 1 76 76 PHE H H 1 8.304 0.002 . 1 . . . . . 75 PHE H . 28084 1 438 . 1 . 1 76 76 PHE HA H 1 4.626 0.007 . 1 . . . . . 75 PHE HA . 28084 1 439 . 1 . 1 76 76 PHE C C 13 176.165 0.008 . 1 . . . . . 75 PHE C . 28084 1 440 . 1 . 1 76 76 PHE CA C 13 57.972 0.024 . 1 . . . . . 75 PHE CA . 28084 1 441 . 1 . 1 76 76 PHE CB C 13 39.263 0.015 . 1 . . . . . 75 PHE CB . 28084 1 442 . 1 . 1 76 76 PHE N N 15 120.053 0.005 . 1 . . . . . 75 PHE N . 28084 1 443 . 1 . 1 77 77 SER H H 1 8.086 0.001 . 1 . . . . . 76 SER H . 28084 1 444 . 1 . 1 77 77 SER HA H 1 4.343 0.001 . 1 . . . . . 76 SER HA . 28084 1 445 . 1 . 1 77 77 SER C C 13 174.617 0.021 . 1 . . . . . 76 SER C . 28084 1 446 . 1 . 1 77 77 SER CA C 13 58.328 0.071 . 1 . . . . . 76 SER CA . 28084 1 447 . 1 . 1 77 77 SER CB C 13 63.725 0.061 . 1 . . . . . 76 SER CB . 28084 1 448 . 1 . 1 77 77 SER N N 15 116.952 0.006 . 1 . . . . . 76 SER N . 28084 1 449 . 1 . 1 78 78 ALA H H 1 8.417 0.003 . 1 . . . . . 77 ALA H . 28084 1 450 . 1 . 1 78 78 ALA HA H 1 4.287 0.004 . 1 . . . . . 77 ALA HA . 28084 1 451 . 1 . 1 78 78 ALA C C 13 178.266 0.010 . 1 . . . . . 77 ALA C . 28084 1 452 . 1 . 1 78 78 ALA CA C 13 53.143 0.039 . 1 . . . . . 77 ALA CA . 28084 1 453 . 1 . 1 78 78 ALA CB C 13 19.008 0.019 . 1 . . . . . 77 ALA CB . 28084 1 454 . 1 . 1 78 78 ALA N N 15 126.194 0.005 . 1 . . . . . 77 ALA N . 28084 1 455 . 1 . 1 79 79 SER H H 1 8.244 0.002 . 1 . . . . . 78 SER H . 28084 1 456 . 1 . 1 79 79 SER HA H 1 4.371 0.009 . 1 . . . . . 78 SER HA . 28084 1 457 . 1 . 1 79 79 SER C C 13 174.220 0.000 . 1 . . . . . 78 SER C . 28084 1 458 . 1 . 1 79 79 SER CA C 13 58.897 0.056 . 1 . . . . . 78 SER CA . 28084 1 459 . 1 . 1 79 79 SER CB C 13 63.629 0.037 . 1 . . . . . 78 SER CB . 28084 1 460 . 1 . 1 79 79 SER N N 15 114.281 0.006 . 1 . . . . . 78 SER N . 28084 1 461 . 1 . 1 80 80 LYS H H 1 8.193 0.002 . 1 . . . . . 79 LYS H . 28084 1 462 . 1 . 1 80 80 LYS HA H 1 4.297 0.000 . 1 . . . . . 79 LYS HA . 28084 1 463 . 1 . 1 80 80 LYS C C 13 176.536 0.021 . 1 . . . . . 79 LYS C . 28084 1 464 . 1 . 1 80 80 LYS CA C 13 56.399 0.030 . 1 . . . . . 79 LYS CA . 28084 1 465 . 1 . 1 80 80 LYS CB C 13 32.851 0.053 . 1 . . . . . 79 LYS CB . 28084 1 466 . 1 . 1 80 80 LYS N N 15 122.842 0.040 . 1 . . . . . 79 LYS N . 28084 1 467 . 1 . 1 81 81 MET H H 1 8.218 0.002 . 1 . . . . . 80 MET H . 28084 1 468 . 1 . 1 81 81 MET HA H 1 4.461 0.001 . 1 . . . . . 80 MET HA . 28084 1 469 . 1 . 1 81 81 MET C C 13 175.639 0.000 . 1 . . . . . 80 MET C . 28084 1 470 . 1 . 1 81 81 MET CA C 13 55.127 0.029 . 1 . . . . . 80 MET CA . 28084 1 471 . 1 . 1 81 81 MET CB C 13 31.959 0.075 . 1 . . . . . 80 MET CB . 28084 1 472 . 1 . 1 81 81 MET N N 15 120.737 0.003 . 1 . . . . . 80 MET N . 28084 1 473 . 1 . 1 82 82 ALA H H 1 8.320 0.003 . 1 . . . . . 81 ALA H . 28084 1 474 . 1 . 1 82 82 ALA HA H 1 4.559 0.005 . 1 . . . . . 81 ALA HA . 28084 1 475 . 1 . 1 82 82 ALA C C 13 175.403 0.000 . 1 . . . . . 81 ALA C . 28084 1 476 . 1 . 1 82 82 ALA CA C 13 50.746 0.001 . 1 . . . . . 81 ALA CA . 28084 1 477 . 1 . 1 82 82 ALA CB C 13 18.009 0.020 . 1 . . . . . 81 ALA CB . 28084 1 478 . 1 . 1 82 82 ALA N N 15 126.980 0.007 . 1 . . . . . 81 ALA N . 28084 1 479 . 1 . 1 83 83 PRO HA H 1 4.407 0.002 . 1 . . . . . 82 PRO HA . 28084 1 480 . 1 . 1 83 83 PRO C C 13 176.945 0.006 . 1 . . . . . 82 PRO C . 28084 1 481 . 1 . 1 83 83 PRO CA C 13 63.041 0.041 . 1 . . . . . 82 PRO CA . 28084 1 482 . 1 . 1 83 83 PRO CB C 13 31.961 0.000 . 1 . . . . . 82 PRO CB . 28084 1 483 . 1 . 1 84 84 LEU H H 1 8.349 0.002 . 1 . . . . . 83 LEU H . 28084 1 484 . 1 . 1 84 84 LEU HA H 1 4.259 0.000 . 1 . . . . . 83 LEU HA . 28084 1 485 . 1 . 1 84 84 LEU C C 13 177.293 0.007 . 1 . . . . . 83 LEU C . 28084 1 486 . 1 . 1 84 84 LEU CA C 13 55.193 0.019 . 1 . . . . . 83 LEU CA . 28084 1 487 . 1 . 1 84 84 LEU CB C 13 42.345 0.004 . 1 . . . . . 83 LEU CB . 28084 1 488 . 1 . 1 84 84 LEU N N 15 122.119 0.005 . 1 . . . . . 83 LEU N . 28084 1 489 . 1 . 1 85 85 ALA H H 1 8.311 0.001 . 1 . . . . . 84 ALA H . 28084 1 490 . 1 . 1 85 85 ALA HA H 1 4.291 0.004 . 1 . . . . . 84 ALA HA . 28084 1 491 . 1 . 1 85 85 ALA C C 13 177.329 0.006 . 1 . . . . . 84 ALA C . 28084 1 492 . 1 . 1 85 85 ALA CA C 13 52.408 0.023 . 1 . . . . . 84 ALA CA . 28084 1 493 . 1 . 1 85 85 ALA CB C 13 19.340 0.074 . 1 . . . . . 84 ALA CB . 28084 1 494 . 1 . 1 85 85 ALA N N 15 125.388 0.004 . 1 . . . . . 84 ALA N . 28084 1 495 . 1 . 1 86 86 VAL H H 1 8.031 0.003 . 1 . . . . . 85 VAL H . 28084 1 496 . 1 . 1 86 86 VAL HA H 1 4.025 0.003 . 1 . . . . . 85 VAL HA . 28084 1 497 . 1 . 1 86 86 VAL C C 13 175.842 0.006 . 1 . . . . . 85 VAL C . 28084 1 498 . 1 . 1 86 86 VAL CA C 13 62.117 0.044 . 1 . . . . . 85 VAL CA . 28084 1 499 . 1 . 1 86 86 VAL CB C 13 33.010 0.000 . 1 . . . . . 85 VAL CB . 28084 1 500 . 1 . 1 86 86 VAL N N 15 119.315 0.011 . 1 . . . . . 85 VAL N . 28084 1 501 . 1 . 1 87 87 PHE H H 1 8.392 0.001 . 1 . . . . . 86 PHE H . 28084 1 502 . 1 . 1 87 87 PHE HA H 1 4.693 0.005 . 1 . . . . . 86 PHE HA . 28084 1 503 . 1 . 1 87 87 PHE C C 13 175.721 0.017 . 1 . . . . . 86 PHE C . 28084 1 504 . 1 . 1 87 87 PHE CA C 13 57.437 0.029 . 1 . . . . . 86 PHE CA . 28084 1 505 . 1 . 1 87 87 PHE CB C 13 39.787 0.041 . 1 . . . . . 86 PHE CB . 28084 1 506 . 1 . 1 87 87 PHE N N 15 123.973 0.002 . 1 . . . . . 86 PHE N . 28084 1 507 . 1 . 1 88 88 SER H H 1 8.295 0.002 . 1 . . . . . 87 SER H . 28084 1 508 . 1 . 1 88 88 SER HA H 1 4.412 0.010 . 1 . . . . . 87 SER HA . 28084 1 509 . 1 . 1 88 88 SER C C 13 174.213 0.000 . 1 . . . . . 87 SER C . 28084 1 510 . 1 . 1 88 88 SER CA C 13 58.097 0.069 . 1 . . . . . 87 SER CA . 28084 1 511 . 1 . 1 88 88 SER CB C 13 63.877 0.035 . 1 . . . . . 87 SER CB . 28084 1 512 . 1 . 1 88 88 SER N N 15 117.636 0.008 . 1 . . . . . 87 SER N . 28084 1 513 . 1 . 1 89 89 HIS H H 1 8.562 0.002 . 1 . . . . . 88 HIS H . 28084 1 514 . 1 . 1 89 89 HIS HA H 1 4.654 0.000 . 1 . . . . . 88 HIS HA . 28084 1 515 . 1 . 1 89 89 HIS C C 13 175.018 0.003 . 1 . . . . . 88 HIS C . 28084 1 516 . 1 . 1 89 89 HIS CA C 13 55.809 0.025 . 1 . . . . . 88 HIS CA . 28084 1 517 . 1 . 1 89 89 HIS CB C 13 29.211 0.057 . 1 . . . . . 88 HIS CB . 28084 1 518 . 1 . 1 89 89 HIS N N 15 120.493 0.001 . 1 . . . . . 88 HIS N . 28084 1 519 . 1 . 1 90 90 GLY H H 1 8.526 0.002 . 1 . . . . . 89 GLY H . 28084 1 520 . 1 . 1 90 90 GLY HA2 H 1 3.942 0.005 . 1 . . . . . 89 GLY HA2 . 28084 1 521 . 1 . 1 90 90 GLY HA3 H 1 3.942 0.005 . 1 . . . . . 89 GLY HA3 . 28084 1 522 . 1 . 1 90 90 GLY C C 13 174.029 0.009 . 1 . . . . . 89 GLY C . 28084 1 523 . 1 . 1 90 90 GLY CA C 13 45.327 0.029 . 1 . . . . . 89 GLY CA . 28084 1 524 . 1 . 1 90 90 GLY N N 15 109.646 0.003 . 1 . . . . . 89 GLY N . 28084 1 525 . 1 . 1 91 91 MET H H 1 8.346 0.002 . 1 . . . . . 90 MET H . 28084 1 526 . 1 . 1 91 91 MET HA H 1 4.498 0.021 . 1 . . . . . 90 MET HA . 28084 1 527 . 1 . 1 91 91 MET C C 13 176.348 0.006 . 1 . . . . . 90 MET C . 28084 1 528 . 1 . 1 91 91 MET CA C 13 55.670 0.021 . 1 . . . . . 90 MET CA . 28084 1 529 . 1 . 1 91 91 MET CB C 13 33.072 0.010 . 1 . . . . . 90 MET CB . 28084 1 530 . 1 . 1 91 91 MET N N 15 120.036 0.005 . 1 . . . . . 90 MET N . 28084 1 531 . 1 . 1 92 92 LEU H H 1 8.426 0.002 . 1 . . . . . 91 LEU H . 28084 1 532 . 1 . 1 92 92 LEU HA H 1 4.313 0.010 . 1 . . . . . 91 LEU HA . 28084 1 533 . 1 . 1 92 92 LEU C C 13 177.587 0.000 . 1 . . . . . 91 LEU C . 28084 1 534 . 1 . 1 92 92 LEU CA C 13 55.309 0.065 . 1 . . . . . 91 LEU CA . 28084 1 535 . 1 . 1 92 92 LEU CB C 13 42.295 0.034 . 1 . . . . . 91 LEU CB . 28084 1 536 . 1 . 1 92 92 LEU N N 15 123.028 0.002 . 1 . . . . . 91 LEU N . 28084 1 537 . 1 . 1 93 93 GLU H H 1 8.529 0.003 . 5 . . . . . 92 GLU H . 28084 1 538 . 1 . 1 93 93 GLU HA H 1 4.257 0.003 . 5 . . . . . 92 GLU HA . 28084 1 539 . 1 . 1 93 93 GLU C C 13 176.254 0.000 . 5 . . . . . 92 GLU C . 28084 1 540 . 1 . 1 93 93 GLU CA C 13 56.673 0.089 . 5 . . . . . 92 GLU CA . 28084 1 541 . 1 . 1 93 93 GLU CB C 13 32.269 0.139 . 5 . . . . . 92 GLU CB . 28084 1 542 . 1 . 1 93 93 GLU N N 15 121.726 0.001 . 5 . . . . . 92 GLU N . 28084 1 543 . 1 . 1 94 94 ASP H H 1 8.374 0.003 . 1 . . . . . 93 ASP H . 28084 1 544 . 1 . 1 94 94 ASP HA H 1 4.558 0.003 . 1 . . . . . 93 ASP HA . 28084 1 545 . 1 . 1 94 94 ASP C C 13 176.729 0.016 . 1 . . . . . 93 ASP C . 28084 1 546 . 1 . 1 94 94 ASP CA C 13 54.510 0.019 . 1 . . . . . 93 ASP CA . 28084 1 547 . 1 . 1 94 94 ASP CB C 13 41.113 0.054 . 1 . . . . . 93 ASP CB . 28084 1 548 . 1 . 1 94 94 ASP N N 15 121.224 0.005 . 1 . . . . . 93 ASP N . 28084 1 549 . 1 . 1 95 95 GLY H H 1 8.329 0.002 . 1 . . . . . 94 GLY H . 28084 1 550 . 1 . 1 95 95 GLY HA2 H 1 3.927 0.004 . 1 . . . . . 94 GLY HA2 . 28084 1 551 . 1 . 1 95 95 GLY HA3 H 1 3.927 0.004 . 1 . . . . . 94 GLY HA3 . 28084 1 552 . 1 . 1 95 95 GLY C C 13 173.928 0.009 . 1 . . . . . 94 GLY C . 28084 1 553 . 1 . 1 95 95 GLY CA C 13 45.245 0.045 . 1 . . . . . 94 GLY CA . 28084 1 554 . 1 . 1 95 95 GLY N N 15 108.608 0.004 . 1 . . . . . 94 GLY N . 28084 1 555 . 1 . 1 96 96 LEU H H 1 8.108 0.004 . 1 . . . . . 95 LEU H . 28084 1 556 . 1 . 1 96 96 LEU HA H 1 4.628 0.002 . 1 . . . . . 95 LEU HA . 28084 1 557 . 1 . 1 96 96 LEU C C 13 175.442 0.000 . 1 . . . . . 95 LEU C . 28084 1 558 . 1 . 1 96 96 LEU CA C 13 53.057 0.039 . 1 . . . . . 95 LEU CA . 28084 1 559 . 1 . 1 96 96 LEU CB C 13 41.619 0.044 . 1 . . . . . 95 LEU CB . 28084 1 560 . 1 . 1 96 96 LEU N N 15 122.823 0.005 . 1 . . . . . 95 LEU N . 28084 1 561 . 1 . 1 97 97 PRO HA H 1 4.474 0.002 . 1 . . . . . 96 PRO HA . 28084 1 562 . 1 . 1 97 97 PRO C C 13 177.324 0.000 . 1 . . . . . 96 PRO C . 28084 1 563 . 1 . 1 97 97 PRO CA C 13 63.177 0.045 . 1 . . . . . 96 PRO CA . 28084 1 564 . 1 . 1 97 97 PRO CB C 13 32.045 0.012 . 1 . . . . . 96 PRO CB . 28084 1 565 . 1 . 1 97 97 PRO CG C 13 27.526 0.000 . 9 . . . . . 96 PRO CG . 28084 1 566 . 1 . 1 98 98 SER H H 1 8.570 0.002 . 1 . . . . . 97 SER H . 28084 1 567 . 1 . 1 98 98 SER HA H 1 4.404 0.002 . 1 . . . . . 97 SER HA . 28084 1 568 . 1 . 1 98 98 SER C C 13 174.806 0.008 . 1 . . . . . 97 SER C . 28084 1 569 . 1 . 1 98 98 SER CA C 13 58.514 0.034 . 1 . . . . . 97 SER CA . 28084 1 570 . 1 . 1 98 98 SER CB C 13 63.683 0.004 . 1 . . . . . 97 SER CB . 28084 1 571 . 1 . 1 98 98 SER N N 15 116.406 0.007 . 1 . . . . . 97 SER N . 28084 1 572 . 1 . 1 99 99 ASN H H 1 8.526 0.002 . 1 . . . . . 98 ASN H . 28084 1 573 . 1 . 1 99 99 ASN HA H 1 4.767 0.044 . 1 . . . . . 98 ASN HA . 28084 1 574 . 1 . 1 99 99 ASN C C 13 175.741 0.002 . 1 . . . . . 98 ASN C . 28084 1 575 . 1 . 1 99 99 ASN CA C 13 53.223 0.052 . 1 . . . . . 98 ASN CA . 28084 1 576 . 1 . 1 99 99 ASN CB C 13 38.702 0.051 . 1 . . . . . 98 ASN CB . 28084 1 577 . 1 . 1 99 99 ASN N N 15 120.599 0.004 . 1 . . . . . 98 ASN N . 28084 1 578 . 1 . 1 100 100 GLY H H 1 8.366 0.002 . 1 . . . . . 99 GLY H . 28084 1 579 . 1 . 1 100 100 GLY HA2 H 1 3.940 0.007 . 1 . . . . . 99 GLY HA2 . 28084 1 580 . 1 . 1 100 100 GLY HA3 H 1 3.940 0.007 . 1 . . . . . 99 GLY HA3 . 28084 1 581 . 1 . 1 100 100 GLY C C 13 173.722 0.001 . 1 . . . . . 99 GLY C . 28084 1 582 . 1 . 1 100 100 GLY CA C 13 45.272 0.025 . 1 . . . . . 99 GLY CA . 28084 1 583 . 1 . 1 100 100 GLY N N 15 108.621 0.006 . 1 . . . . . 99 GLY N . 28084 1 584 . 1 . 1 101 101 VAL H H 1 7.964 0.002 . 1 . . . . . 100 VAL H . 28084 1 585 . 1 . 1 101 101 VAL HA H 1 4.408 0.001 . 1 . . . . . 100 VAL HA . 28084 1 586 . 1 . 1 101 101 VAL C C 13 174.534 0.000 . 1 . . . . . 100 VAL C . 28084 1 587 . 1 . 1 101 101 VAL CA C 13 60.025 0.008 . 1 . . . . . 100 VAL CA . 28084 1 588 . 1 . 1 101 101 VAL CB C 13 32.580 0.020 . 1 . . . . . 100 VAL CB . 28084 1 589 . 1 . 1 101 101 VAL N N 15 121.400 0.009 . 1 . . . . . 100 VAL N . 28084 1 590 . 1 . 1 102 102 PRO HA H 1 4.403 0.002 . 1 . . . . . 101 PRO HA . 28084 1 591 . 1 . 1 102 102 PRO C C 13 176.883 0.000 . 1 . . . . . 101 PRO C . 28084 1 592 . 1 . 1 102 102 PRO CA C 13 63.088 0.033 . 1 . . . . . 101 PRO CA . 28084 1 593 . 1 . 1 102 102 PRO CB C 13 32.110 0.011 . 1 . . . . . 101 PRO CB . 28084 1 594 . 1 . 1 102 102 PRO CG C 13 27.417 0.000 . 1 . . . . . 101 PRO CG . 28084 1 595 . 1 . 1 103 103 ARG H H 1 8.612 0.002 . 1 . . . . . 102 ARG H . 28084 1 596 . 1 . 1 103 103 ARG HA H 1 4.335 0.003 . 1 . . . . . 102 ARG HA . 28084 1 597 . 1 . 1 103 103 ARG C C 13 176.562 0.002 . 1 . . . . . 102 ARG C . 28084 1 598 . 1 . 1 103 103 ARG CA C 13 56.142 0.061 . 1 . . . . . 102 ARG CA . 28084 1 599 . 1 . 1 103 103 ARG CB C 13 30.946 0.065 . 1 . . . . . 102 ARG CB . 28084 1 600 . 1 . 1 103 103 ARG N N 15 121.979 0.007 . 1 . . . . . 102 ARG N . 28084 1 601 . 1 . 1 104 104 SER H H 1 8.513 0.002 . 1 . . . . . 103 SER H . 28084 1 602 . 1 . 1 104 104 SER HA H 1 4.506 0.007 . 1 . . . . . 103 SER HA . 28084 1 603 . 1 . 1 104 104 SER C C 13 174.779 0.007 . 1 . . . . . 103 SER C . 28084 1 604 . 1 . 1 104 104 SER CA C 13 58.174 0.041 . 1 . . . . . 103 SER CA . 28084 1 605 . 1 . 1 104 104 SER CB C 13 63.814 0.047 . 1 . . . . . 103 SER CB . 28084 1 606 . 1 . 1 104 104 SER N N 15 117.295 0.004 . 1 . . . . . 103 SER N . 28084 1 607 . 1 . 1 105 105 THR H H 1 8.315 0.003 . 1 . . . . . 104 THR H . 28084 1 608 . 1 . 1 105 105 THR HA H 1 4.354 0.013 . 1 . . . . . 104 THR HA . 28084 1 609 . 1 . 1 105 105 THR C C 13 173.995 0.005 . 1 . . . . . 104 THR C . 28084 1 610 . 1 . 1 105 105 THR CA C 13 61.638 0.032 . 1 . . . . . 104 THR CA . 28084 1 611 . 1 . 1 105 105 THR CB C 13 69.740 0.000 . 1 . . . . . 104 THR CB . 28084 1 612 . 1 . 1 105 105 THR N N 15 116.179 0.001 . 1 . . . . . 104 THR N . 28084 1 613 . 1 . 1 106 106 ALA H H 1 8.388 0.003 . 1 . . . . . 105 ALA H . 28084 1 614 . 1 . 1 106 106 ALA HA H 1 4.605 0.001 . 1 . . . . . 105 ALA HA . 28084 1 615 . 1 . 1 106 106 ALA C C 13 175.583 0.000 . 1 . . . . . 105 ALA C . 28084 1 616 . 1 . 1 106 106 ALA CA C 13 50.630 0.013 . 1 . . . . . 105 ALA CA . 28084 1 617 . 1 . 1 106 106 ALA CB C 13 18.104 0.003 . 1 . . . . . 105 ALA CB . 28084 1 618 . 1 . 1 106 106 ALA N N 15 128.095 0.011 . 1 . . . . . 105 ALA N . 28084 1 619 . 1 . 1 107 107 PRO HA H 1 4.417 0.017 . 1 . . . . . 106 PRO HA . 28084 1 620 . 1 . 1 107 107 PRO C C 13 177.765 0.000 . 1 . . . . . 106 PRO C . 28084 1 621 . 1 . 1 107 107 PRO CA C 13 63.541 0.028 . 1 . . . . . 106 PRO CA . 28084 1 622 . 1 . 1 107 107 PRO CB C 13 31.969 0.046 . 1 . . . . . 106 PRO CB . 28084 1 623 . 1 . 1 107 107 PRO CG C 13 27.599 0.000 . 1 . . . . . 106 PRO CG . 28084 1 624 . 1 . 1 108 108 GLY H H 1 8.624 0.002 . 1 . . . . . 107 GLY H . 28084 1 625 . 1 . 1 108 108 GLY HA2 H 1 3.959 0.003 . 1 . . . . . 107 GLY HA2 . 28084 1 626 . 1 . 1 108 108 GLY HA3 H 1 3.959 0.003 . 1 . . . . . 107 GLY HA3 . 28084 1 627 . 1 . 1 108 108 GLY C C 13 174.692 0.014 . 1 . . . . . 107 GLY C . 28084 1 628 . 1 . 1 108 108 GLY CA C 13 45.185 0.041 . 1 . . . . . 107 GLY CA . 28084 1 629 . 1 . 1 108 108 GLY N N 15 109.822 0.004 . 1 . . . . . 107 GLY N . 28084 1 630 . 1 . 1 109 109 GLY H H 1 8.297 0.002 . 1 . . . . . 108 GLY H . 28084 1 631 . 1 . 1 109 109 GLY HA2 H 1 3.937 0.010 . 1 . . . . . 108 GLY HA2 . 28084 1 632 . 1 . 1 109 109 GLY HA3 H 1 3.937 0.010 . 1 . . . . . 108 GLY HA3 . 28084 1 633 . 1 . 1 109 109 GLY C C 13 173.757 0.013 . 1 . . . . . 108 GLY C . 28084 1 634 . 1 . 1 109 109 GLY CA C 13 45.018 0.032 . 1 . . . . . 108 GLY CA . 28084 1 635 . 1 . 1 109 109 GLY N N 15 108.617 0.004 . 1 . . . . . 108 GLY N . 28084 1 636 . 1 . 1 110 110 ILE H H 1 8.130 0.002 . 1 . . . . . 109 ILE H . 28084 1 637 . 1 . 1 110 110 ILE HA H 1 4.475 0.002 . 1 . . . . . 109 ILE HA . 28084 1 638 . 1 . 1 110 110 ILE C C 13 174.784 0.000 . 1 . . . . . 109 ILE C . 28084 1 639 . 1 . 1 110 110 ILE CA C 13 58.686 0.029 . 1 . . . . . 109 ILE CA . 28084 1 640 . 1 . 1 110 110 ILE CB C 13 38.688 0.021 . 1 . . . . . 109 ILE CB . 28084 1 641 . 1 . 1 110 110 ILE N N 15 121.660 0.003 . 1 . . . . . 109 ILE N . 28084 1 642 . 1 . 1 111 111 PRO HA H 1 4.384 0.003 . 1 . . . . . 110 PRO HA . 28084 1 643 . 1 . 1 111 111 PRO C C 13 176.340 0.000 . 1 . . . . . 110 PRO C . 28084 1 644 . 1 . 1 111 111 PRO CA C 13 63.109 0.028 . 1 . . . . . 110 PRO CA . 28084 1 645 . 1 . 1 111 111 PRO CB C 13 32.103 0.000 . 1 . . . . . 110 PRO CB . 28084 1 646 . 1 . 1 111 111 PRO CG C 13 27.399 0.000 . 1 . . . . . 110 PRO CG . 28084 1 647 . 1 . 1 112 112 ASN H H 1 8.640 0.002 . 1 . . . . . 111 ASN H . 28084 1 648 . 1 . 1 112 112 ASN HA H 1 4.926 0.003 . 1 . . . . . 111 ASN HA . 28084 1 649 . 1 . 1 112 112 ASN C C 13 173.742 0.000 . 1 . . . . . 111 ASN C . 28084 1 650 . 1 . 1 112 112 ASN CA C 13 51.325 0.009 . 1 . . . . . 111 ASN CA . 28084 1 651 . 1 . 1 112 112 ASN CB C 13 38.746 0.007 . 1 . . . . . 111 ASN CB . 28084 1 652 . 1 . 1 112 112 ASN N N 15 120.022 0.018 . 1 . . . . . 111 ASN N . 28084 1 653 . 1 . 1 113 113 PRO HA H 1 4.410 0.002 . 1 . . . . . 112 PRO HA . 28084 1 654 . 1 . 1 113 113 PRO C C 13 176.967 0.000 . 1 . . . . . 112 PRO C . 28084 1 655 . 1 . 1 113 113 PRO CA C 13 63.489 0.044 . 1 . . . . . 112 PRO CA . 28084 1 656 . 1 . 1 113 113 PRO CB C 13 32.116 0.000 . 1 . . . . . 112 PRO CB . 28084 1 657 . 1 . 1 113 113 PRO CG C 13 27.050 0.000 . 1 . . . . . 112 PRO CG . 28084 1 658 . 1 . 1 114 114 GLU H H 1 8.489 0.003 . 1 . . . . . 113 GLU H . 28084 1 659 . 1 . 1 114 114 GLU HA H 1 4.189 0.025 . 1 . . . . . 113 GLU HA . 28084 1 660 . 1 . 1 114 114 GLU C C 13 176.504 0.008 . 1 . . . . . 113 GLU C . 28084 1 661 . 1 . 1 114 114 GLU CA C 13 56.574 0.061 . 1 . . . . . 113 GLU CA . 28084 1 662 . 1 . 1 114 114 GLU CB C 13 30.183 0.063 . 1 . . . . . 113 GLU CB . 28084 1 663 . 1 . 1 114 114 GLU N N 15 120.682 0.003 . 1 . . . . . 113 GLU N . 28084 1 664 . 1 . 1 115 115 LYS H H 1 8.311 0.002 . 1 . . . . . 114 LYS H . 28084 1 665 . 1 . 1 115 115 LYS HA H 1 4.233 0.048 . 1 . . . . . 114 LYS HA . 28084 1 666 . 1 . 1 115 115 LYS C C 13 176.369 0.004 . 1 . . . . . 114 LYS C . 28084 1 667 . 1 . 1 115 115 LYS CA C 13 56.202 0.077 . 1 . . . . . 114 LYS CA . 28084 1 668 . 1 . 1 115 115 LYS CB C 13 32.842 0.083 . 1 . . . . . 114 LYS CB . 28084 1 669 . 1 . 1 115 115 LYS N N 15 122.917 0.006 . 1 . . . . . 114 LYS N . 28084 1 670 . 1 . 1 116 116 LYS H H 1 8.367 0.005 . 1 . . . . . 115 LYS H . 28084 1 671 . 1 . 1 116 116 LYS HA H 1 4.264 0.004 . 1 . . . . . 115 LYS HA . 28084 1 672 . 1 . 1 116 116 LYS C C 13 176.445 0.000 . 1 . . . . . 115 LYS C . 28084 1 673 . 1 . 1 116 116 LYS CA C 13 56.320 0.098 . 1 . . . . . 115 LYS CA . 28084 1 674 . 1 . 1 116 116 LYS CB C 13 33.256 0.000 . 1 . . . . . 115 LYS CB . 28084 1 675 . 1 . 1 116 116 LYS N N 15 121.093 0.004 . 1 . . . . . 115 LYS N . 28084 1 676 . 1 . 1 117 117 THR H H 1 8.351 0.001 . 1 . . . . . 116 THR H . 28084 1 677 . 1 . 1 117 117 THR HA H 1 4.352 0.009 . 1 . . . . . 116 THR HA . 28084 1 678 . 1 . 1 117 117 THR C C 13 174.268 0.000 . 1 . . . . . 116 THR C . 28084 1 679 . 1 . 1 117 117 THR CA C 13 61.803 0.039 . 1 . . . . . 116 THR CA . 28084 1 680 . 1 . 1 117 117 THR CB C 13 69.966 0.060 . 1 . . . . . 116 THR CB . 28084 1 681 . 1 . 1 117 117 THR N N 15 115.688 0.003 . 1 . . . . . 116 THR N . 28084 1 682 . 1 . 1 118 118 ASN H H 1 8.638 0.005 . 1 . . . . . 117 ASN H . 28084 1 683 . 1 . 1 118 118 ASN HA H 1 4.751 0.004 . 1 . . . . . 117 ASN HA . 28084 1 684 . 1 . 1 118 118 ASN C C 13 175.151 0.003 . 1 . . . . . 117 ASN C . 28084 1 685 . 1 . 1 118 118 ASN CA C 13 53.331 0.024 . 1 . . . . . 117 ASN CA . 28084 1 686 . 1 . 1 118 118 ASN CB C 13 38.788 0.018 . 1 . . . . . 117 ASN CB . 28084 1 687 . 1 . 1 118 118 ASN N N 15 121.108 0.004 . 1 . . . . . 117 ASN N . 28084 1 688 . 1 . 1 119 119 CYS H H 1 8.464 0.002 . 1 . . . . . 118 CYS H . 28084 1 689 . 1 . 1 119 119 CYS HA H 1 4.521 0.005 . 1 . . . . . 118 CYS HA . 28084 1 690 . 1 . 1 119 119 CYS C C 13 174.708 0.003 . 1 . . . . . 118 CYS C . 28084 1 691 . 1 . 1 119 119 CYS CA C 13 58.624 0.055 . 1 . . . . . 118 CYS CA . 28084 1 692 . 1 . 1 119 119 CYS CB C 13 28.076 0.021 . 1 . . . . . 118 CYS CB . 28084 1 693 . 1 . 1 119 119 CYS N N 15 119.673 0.005 . 1 . . . . . 118 CYS N . 28084 1 694 . 1 . 1 120 120 GLU H H 1 8.672 0.001 . 1 . . . . . 119 GLU H . 28084 1 695 . 1 . 1 120 120 GLU HA H 1 4.354 0.001 . 1 . . . . . 119 GLU HA . 28084 1 696 . 1 . 1 120 120 GLU C C 13 176.757 0.009 . 1 . . . . . 119 GLU C . 28084 1 697 . 1 . 1 120 120 GLU CA C 13 56.916 0.016 . 1 . . . . . 119 GLU CA . 28084 1 698 . 1 . 1 120 120 GLU CB C 13 30.193 0.045 . 1 . . . . . 119 GLU CB . 28084 1 699 . 1 . 1 120 120 GLU N N 15 123.512 0.007 . 1 . . . . . 119 GLU N . 28084 1 700 . 1 . 1 121 121 THR H H 1 8.280 0.002 . 1 . . . . . 120 THR H . 28084 1 701 . 1 . 1 121 121 THR HA H 1 4.305 0.002 . 1 . . . . . 120 THR HA . 28084 1 702 . 1 . 1 121 121 THR C C 13 174.437 0.000 . 1 . . . . . 120 THR C . 28084 1 703 . 1 . 1 121 121 THR CA C 13 62.080 0.008 . 1 . . . . . 120 THR CA . 28084 1 704 . 1 . 1 121 121 THR CB C 13 69.713 0.037 . 1 . . . . . 120 THR CB . 28084 1 705 . 1 . 1 121 121 THR N N 15 115.606 0.002 . 1 . . . . . 120 THR N . 28084 1 706 . 1 . 1 122 122 GLN H H 1 8.504 0.001 . 1 . . . . . 121 GLN H . 28084 1 707 . 1 . 1 122 122 GLN HA H 1 4.365 0.002 . 1 . . . . . 121 GLN HA . 28084 1 708 . 1 . 1 122 122 GLN C C 13 175.535 0.004 . 1 . . . . . 121 GLN C . 28084 1 709 . 1 . 1 122 122 GLN CA C 13 55.694 0.047 . 1 . . . . . 121 GLN CA . 28084 1 710 . 1 . 1 122 122 GLN CB C 13 29.532 0.032 . 1 . . . . . 121 GLN CB . 28084 1 711 . 1 . 1 122 122 GLN N N 15 123.171 0.003 . 1 . . . . . 121 GLN N . 28084 1 712 . 1 . 1 123 123 CYS H H 1 8.559 0.004 . 1 . . . . . 122 CYS H . 28084 1 713 . 1 . 1 123 123 CYS HA H 1 4.764 0.001 . 1 . . . . . 122 CYS HA . 28084 1 714 . 1 . 1 123 123 CYS C C 13 179.735 0.000 . 1 . . . . . 122 CYS C . 28084 1 715 . 1 . 1 123 123 CYS CA C 13 56.492 0.030 . 1 . . . . . 122 CYS CA . 28084 1 716 . 1 . 1 123 123 CYS CB C 13 27.467 0.033 . 1 . . . . . 122 CYS CB . 28084 1 717 . 1 . 1 123 123 CYS N N 15 122.746 0.002 . 1 . . . . . 122 CYS N . 28084 1 718 . 1 . 1 124 124 PRO HA H 1 4.428 0.004 . 1 . . . . . 123 PRO HA . 28084 1 719 . 1 . 1 124 124 PRO C C 13 176.247 0.000 . 1 . . . . . 123 PRO C . 28084 1 720 . 1 . 1 124 124 PRO CA C 13 63.271 0.018 . 1 . . . . . 123 PRO CA . 28084 1 721 . 1 . 1 124 124 PRO CB C 13 32.138 0.001 . 1 . . . . . 123 PRO CB . 28084 1 722 . 1 . 1 124 124 PRO CG C 13 27.323 0.000 . 1 . . . . . 123 PRO CG . 28084 1 723 . 1 . 1 125 125 ASN H H 1 8.566 0.002 . 1 . . . . . 124 ASN H . 28084 1 724 . 1 . 1 125 125 ASN HA H 1 4.969 0.003 . 1 . . . . . 124 ASN HA . 28084 1 725 . 1 . 1 125 125 ASN C C 13 173.639 0.000 . 1 . . . . . 124 ASN C . 28084 1 726 . 1 . 1 125 125 ASN CA C 13 51.257 0.013 . 1 . . . . . 124 ASN CA . 28084 1 727 . 1 . 1 125 125 ASN CB C 13 38.695 0.046 . 1 . . . . . 124 ASN CB . 28084 1 728 . 1 . 1 125 125 ASN N N 15 119.767 0.008 . 1 . . . . . 124 ASN N . 28084 1 729 . 1 . 1 126 126 PRO HA H 1 4.396 0.004 . 1 . . . . . 125 PRO HA . 28084 1 730 . 1 . 1 126 126 PRO C C 13 177.321 0.000 . 1 . . . . . 125 PRO C . 28084 1 731 . 1 . 1 126 126 PRO CA C 13 63.809 0.017 . 1 . . . . . 125 PRO CA . 28084 1 732 . 1 . 1 126 126 PRO CB C 13 32.073 0.000 . 1 . . . . . 125 PRO CB . 28084 1 733 . 1 . 1 126 126 PRO CG C 13 27.264 0.000 . 9 . . . . . 125 PRO CG . 28084 1 734 . 1 . 1 127 127 GLN H H 1 8.514 0.002 . 1 . . . . . 126 GLN H . 28084 1 735 . 1 . 1 127 127 GLN HA H 1 4.296 0.001 . 1 . . . . . 126 GLN HA . 28084 1 736 . 1 . 1 127 127 GLN C C 13 176.342 0.003 . 1 . . . . . 126 GLN C . 28084 1 737 . 1 . 1 127 127 GLN CA C 13 56.190 0.037 . 1 . . . . . 126 GLN CA . 28084 1 738 . 1 . 1 127 127 GLN CB C 13 29.138 0.056 . 1 . . . . . 126 GLN CB . 28084 1 739 . 1 . 1 127 127 GLN N N 15 119.533 0.006 . 1 . . . . . 126 GLN N . 28084 1 740 . 1 . 1 128 128 SER H H 1 8.288 0.003 . 1 . . . . . 127 SER H . 28084 1 741 . 1 . 1 128 128 SER HA H 1 4.424 0.003 . 1 . . . . . 127 SER HA . 28084 1 742 . 1 . 1 128 128 SER C C 13 174.703 0.000 . 1 . . . . . 127 SER C . 28084 1 743 . 1 . 1 128 128 SER CA C 13 58.488 0.050 . 1 . . . . . 127 SER CA . 28084 1 744 . 1 . 1 128 128 SER CB C 13 63.682 0.039 . 1 . . . . . 127 SER CB . 28084 1 745 . 1 . 1 128 128 SER N N 15 116.676 0.006 . 1 . . . . . 127 SER N . 28084 1 746 . 1 . 1 129 129 LEU H H 1 8.314 0.003 . 1 . . . . . 128 LEU H . 28084 1 747 . 1 . 1 129 129 LEU HA H 1 4.419 0.002 . 1 . . . . . 128 LEU HA . 28084 1 748 . 1 . 1 129 129 LEU C C 13 177.707 0.001 . 1 . . . . . 128 LEU C . 28084 1 749 . 1 . 1 129 129 LEU CA C 13 55.314 0.037 . 1 . . . . . 128 LEU CA . 28084 1 750 . 1 . 1 129 129 LEU CB C 13 42.330 0.024 . 1 . . . . . 128 LEU CB . 28084 1 751 . 1 . 1 129 129 LEU N N 15 124.093 0.001 . 1 . . . . . 128 LEU N . 28084 1 752 . 1 . 1 130 130 SER H H 1 8.350 0.004 . 1 . . . . . 129 SER H . 28084 1 753 . 1 . 1 130 130 SER HA H 1 4.480 0.001 . 1 . . . . . 129 SER HA . 28084 1 754 . 1 . 1 130 130 SER C C 13 174.595 0.000 . 1 . . . . . 129 SER C . 28084 1 755 . 1 . 1 130 130 SER CA C 13 58.372 0.015 . 1 . . . . . 129 SER CA . 28084 1 756 . 1 . 1 130 130 SER CB C 13 63.760 0.016 . 1 . . . . . 129 SER CB . 28084 1 757 . 1 . 1 130 130 SER N N 15 116.303 0.002 . 1 . . . . . 129 SER N . 28084 1 758 . 1 . 1 131 131 SER H H 1 8.351 0.002 . 1 . . . . . 130 SER H . 28084 1 759 . 1 . 1 131 131 SER HA H 1 4.534 0.001 . 1 . . . . . 130 SER HA . 28084 1 760 . 1 . 1 131 131 SER C C 13 174.568 0.000 . 1 . . . . . 130 SER C . 28084 1 761 . 1 . 1 131 131 SER CA C 13 58.282 0.055 . 1 . . . . . 130 SER CA . 28084 1 762 . 1 . 1 131 131 SER CB C 13 63.977 0.001 . 1 . . . . . 130 SER CB . 28084 1 763 . 1 . 1 131 131 SER N N 15 117.719 0.009 . 1 . . . . . 130 SER N . 28084 1 764 . 1 . 1 132 132 GLY H H 1 8.289 0.002 . 1 . . . . . 131 GLY H . 28084 1 765 . 1 . 1 132 132 GLY HA2 H 1 4.135 0.001 . 1 . . . . . 131 GLY HA2 . 28084 1 766 . 1 . 1 132 132 GLY HA3 H 1 4.135 0.001 . 1 . . . . . 131 GLY HA3 . 28084 1 767 . 1 . 1 132 132 GLY C C 13 178.935 0.000 . 1 . . . . . 131 GLY C . 28084 1 768 . 1 . 1 132 132 GLY CA C 13 44.818 0.034 . 1 . . . . . 131 GLY CA . 28084 1 769 . 1 . 1 132 132 GLY N N 15 110.765 0.003 . 1 . . . . . 131 GLY N . 28084 1 770 . 1 . 1 133 133 PRO HA H 1 4.431 0.003 . 1 . . . . . 132 PRO HA . 28084 1 771 . 1 . 1 133 133 PRO C C 13 177.598 0.000 . 1 . . . . . 132 PRO C . 28084 1 772 . 1 . 1 133 133 PRO CA C 13 63.391 0.051 . 1 . . . . . 132 PRO CA . 28084 1 773 . 1 . 1 133 133 PRO CB C 13 29.996 0.000 . 1 . . . . . 132 PRO CB . 28084 1 774 . 1 . 1 133 133 PRO CG C 13 27.104 0.000 . 1 . . . . . 132 PRO CG . 28084 1 775 . 1 . 1 134 134 LEU H H 1 8.531 0.003 . 1 . . . . . 133 LEU H . 28084 1 776 . 1 . 1 134 134 LEU HA H 1 4.352 0.003 . 1 . . . . . 133 LEU HA . 28084 1 777 . 1 . 1 134 134 LEU C C 13 177.916 0.010 . 1 . . . . . 133 LEU C . 28084 1 778 . 1 . 1 134 134 LEU CA C 13 55.386 0.036 . 1 . . . . . 133 LEU CA . 28084 1 779 . 1 . 1 134 134 LEU CB C 13 42.083 0.061 . 1 . . . . . 133 LEU CB . 28084 1 780 . 1 . 1 134 134 LEU N N 15 121.747 0.008 . 1 . . . . . 133 LEU N . 28084 1 781 . 1 . 1 135 135 THR H H 1 8.118 0.002 . 1 . . . . . 134 THR H . 28084 1 782 . 1 . 1 135 135 THR HA H 1 4.287 0.002 . 1 . . . . . 134 THR HA . 28084 1 783 . 1 . 1 135 135 THR C C 13 174.587 0.011 . 1 . . . . . 134 THR C . 28084 1 784 . 1 . 1 135 135 THR CA C 13 62.046 0.035 . 1 . . . . . 134 THR CA . 28084 1 785 . 1 . 1 135 135 THR CB C 13 69.847 0.059 . 1 . . . . . 134 THR CB . 28084 1 786 . 1 . 1 135 135 THR N N 15 114.743 0.004 . 1 . . . . . 134 THR N . 28084 1 787 . 1 . 1 136 136 GLN H H 1 8.415 0.002 . 1 . . . . . 135 GLN H . 28084 1 788 . 1 . 1 136 136 GLN HA H 1 4.303 0.021 . 1 . . . . . 135 GLN HA . 28084 1 789 . 1 . 1 136 136 GLN C C 13 176.067 0.000 . 1 . . . . . 135 GLN C . 28084 1 790 . 1 . 1 136 136 GLN CA C 13 56.577 0.037 . 1 . . . . . 135 GLN CA . 28084 1 791 . 1 . 1 136 136 GLN CB C 13 29.504 0.030 . 1 . . . . . 135 GLN CB . 28084 1 792 . 1 . 1 136 136 GLN N N 15 122.764 0.002 . 1 . . . . . 135 GLN N . 28084 1 793 . 1 . 1 137 137 LYS H H 1 8.394 0.000 . 9 . . . . . 136 LYS H . 28084 1 794 . 1 . 1 137 137 LYS HA H 1 4.255 0.002 . 9 . . . . . 136 LYS HA . 28084 1 795 . 1 . 1 137 137 LYS C C 13 176.782 0.000 . 1 . . . . . 136 LYS C . 28084 1 796 . 1 . 1 137 137 LYS CA C 13 56.572 0.004 . 1 . . . . . 136 LYS CA . 28084 1 797 . 1 . 1 137 137 LYS CB C 13 33.010 0.000 . 1 . . . . . 136 LYS CB . 28084 1 798 . 1 . 1 137 137 LYS N N 15 120.915 0.000 . 9 . . . . . 136 LYS N . 28084 1 799 . 1 . 1 138 138 GLN H H 1 8.557 0.003 . 1 . . . . . 137 GLN H . 28084 1 800 . 1 . 1 138 138 GLN HA H 1 4.364 0.003 . 1 . . . . . 137 GLN HA . 28084 1 801 . 1 . 1 138 138 GLN C C 13 175.902 0.001 . 1 . . . . . 137 GLN C . 28084 1 802 . 1 . 1 138 138 GLN CA C 13 55.834 0.066 . 1 . . . . . 137 GLN CA . 28084 1 803 . 1 . 1 138 138 GLN CB C 13 29.391 0.062 . 1 . . . . . 137 GLN CB . 28084 1 804 . 1 . 1 138 138 GLN N N 15 121.724 0.007 . 1 . . . . . 137 GLN N . 28084 1 805 . 1 . 1 139 139 ASN H H 1 8.601 0.003 . 1 . . . . . 138 ASN H . 28084 1 806 . 1 . 1 139 139 ASN HA H 1 4.697 0.008 . 1 . . . . . 138 ASN HA . 28084 1 807 . 1 . 1 139 139 ASN C C 13 175.812 0.010 . 1 . . . . . 138 ASN C . 28084 1 808 . 1 . 1 139 139 ASN CA C 13 53.372 0.026 . 1 . . . . . 138 ASN CA . 28084 1 809 . 1 . 1 139 139 ASN CB C 13 38.878 0.038 . 1 . . . . . 138 ASN CB . 28084 1 810 . 1 . 1 139 139 ASN N N 15 120.301 0.002 . 1 . . . . . 138 ASN N . 28084 1 811 . 1 . 1 140 140 GLY H H 1 8.471 0.002 . 1 . . . . . 139 GLY H . 28084 1 812 . 1 . 1 140 140 GLY HA2 H 1 3.951 0.004 . 1 . . . . . 139 GLY HA2 . 28084 1 813 . 1 . 1 140 140 GLY HA3 H 1 3.951 0.004 . 1 . . . . . 139 GLY HA3 . 28084 1 814 . 1 . 1 140 140 GLY C C 13 174.190 0.021 . 1 . . . . . 139 GLY C . 28084 1 815 . 1 . 1 140 140 GLY CA C 13 45.385 0.034 . 1 . . . . . 139 GLY CA . 28084 1 816 . 1 . 1 140 140 GLY N N 15 109.354 0.007 . 1 . . . . . 139 GLY N . 28084 1 817 . 1 . 1 141 141 LEU H H 1 8.181 0.003 . 1 . . . . . 140 LEU H . 28084 1 818 . 1 . 1 141 141 LEU HA H 1 4.351 0.004 . 1 . . . . . 140 LEU HA . 28084 1 819 . 1 . 1 141 141 LEU C C 13 177.594 0.000 . 1 . . . . . 140 LEU C . 28084 1 820 . 1 . 1 141 141 LEU CA C 13 55.253 0.030 . 1 . . . . . 140 LEU CA . 28084 1 821 . 1 . 1 141 141 LEU CB C 13 42.344 0.054 . 1 . . . . . 140 LEU CB . 28084 1 822 . 1 . 1 141 141 LEU N N 15 121.579 0.003 . 1 . . . . . 140 LEU N . 28084 1 823 . 1 . 1 142 142 GLN H H 1 8.553 0.003 . 1 . . . . . 141 GLN H . 28084 1 824 . 1 . 1 142 142 GLN HA H 1 4.425 0.002 . 1 . . . . . 141 GLN HA . 28084 1 825 . 1 . 1 142 142 GLN C C 13 176.338 0.008 . 1 . . . . . 141 GLN C . 28084 1 826 . 1 . 1 142 142 GLN CA C 13 55.804 0.035 . 1 . . . . . 141 GLN CA . 28084 1 827 . 1 . 1 142 142 GLN CB C 13 29.454 0.054 . 1 . . . . . 141 GLN CB . 28084 1 828 . 1 . 1 142 142 GLN N N 15 121.445 0.004 . 1 . . . . . 141 GLN N . 28084 1 829 . 1 . 1 143 143 THR H H 1 8.299 0.002 . 1 . . . . . 142 THR H . 28084 1 830 . 1 . 1 143 143 THR HA H 1 4.414 0.006 . 1 . . . . . 142 THR HA . 28084 1 831 . 1 . 1 143 143 THR C C 13 174.862 0.030 . 1 . . . . . 142 THR C . 28084 1 832 . 1 . 1 143 143 THR CA C 13 61.820 0.057 . 1 . . . . . 142 THR CA . 28084 1 833 . 1 . 1 143 143 THR CB C 13 69.873 0.081 . 1 . . . . . 142 THR CB . 28084 1 834 . 1 . 1 143 143 THR N N 15 115.687 0.002 . 1 . . . . . 142 THR N . 28084 1 835 . 1 . 1 144 144 THR H H 1 8.315 0.002 . 1 . . . . . 143 THR H . 28084 1 836 . 1 . 1 144 144 THR HA H 1 4.307 0.003 . 1 . . . . . 143 THR HA . 28084 1 837 . 1 . 1 144 144 THR C C 13 174.803 0.000 . 1 . . . . . 143 THR C . 28084 1 838 . 1 . 1 144 144 THR CA C 13 62.339 0.042 . 1 . . . . . 143 THR CA . 28084 1 839 . 1 . 1 144 144 THR CB C 13 69.802 0.046 . 1 . . . . . 143 THR CB . 28084 1 840 . 1 . 1 144 144 THR N N 15 116.539 0.003 . 1 . . . . . 143 THR N . 28084 1 841 . 1 . 1 145 145 GLU H H 1 8.538 0.001 . 1 . . . . . 144 GLU H . 28084 1 842 . 1 . 1 145 145 GLU HA H 1 4.222 0.000 . 1 . . . . . 144 GLU HA . 28084 1 843 . 1 . 1 145 145 GLU C C 13 176.378 0.009 . 1 . . . . . 144 GLU C . 28084 1 844 . 1 . 1 145 145 GLU CA C 13 56.939 0.010 . 1 . . . . . 144 GLU CA . 28084 1 845 . 1 . 1 145 145 GLU CB C 13 30.252 0.065 . 1 . . . . . 144 GLU CB . 28084 1 846 . 1 . 1 145 145 GLU N N 15 123.734 0.010 . 1 . . . . . 144 GLU N . 28084 1 847 . 1 . 1 146 146 ALA H H 1 8.404 0.003 . 1 . . . . . 145 ALA H . 28084 1 848 . 1 . 1 146 146 ALA HA H 1 4.248 0.002 . 1 . . . . . 145 ALA HA . 28084 1 849 . 1 . 1 146 146 ALA C C 13 178.147 0.004 . 1 . . . . . 145 ALA C . 28084 1 850 . 1 . 1 146 146 ALA CA C 13 52.774 0.058 . 1 . . . . . 145 ALA CA . 28084 1 851 . 1 . 1 146 146 ALA CB C 13 19.169 0.091 . 1 . . . . . 145 ALA CB . 28084 1 852 . 1 . 1 146 146 ALA N N 15 125.535 0.003 . 1 . . . . . 145 ALA N . 28084 1 853 . 1 . 1 147 147 LYS H H 1 8.341 0.002 . 1 . . . . . 146 LYS H . 28084 1 854 . 1 . 1 147 147 LYS HA H 1 4.266 0.013 . 1 . . . . . 146 LYS HA . 28084 1 855 . 1 . 1 147 147 LYS C C 13 177.015 0.005 . 1 . . . . . 146 LYS C . 28084 1 856 . 1 . 1 147 147 LYS CA C 13 56.539 0.020 . 1 . . . . . 146 LYS CA . 28084 1 857 . 1 . 1 147 147 LYS CB C 13 32.744 0.024 . 1 . . . . . 146 LYS CB . 28084 1 858 . 1 . 1 147 147 LYS N N 15 120.660 0.003 . 1 . . . . . 146 LYS N . 28084 1 859 . 1 . 1 148 148 ARG H H 1 8.397 0.002 . 1 . . . . . 147 ARG H . 28084 1 860 . 1 . 1 148 148 ARG HA H 1 4.217 0.014 . 1 . . . . . 147 ARG HA . 28084 1 861 . 1 . 1 148 148 ARG C C 13 176.329 0.010 . 1 . . . . . 147 ARG C . 28084 1 862 . 1 . 1 148 148 ARG CA C 13 56.461 0.022 . 1 . . . . . 147 ARG CA . 28084 1 863 . 1 . 1 148 148 ARG CB C 13 30.823 0.012 . 1 . . . . . 147 ARG CB . 28084 1 864 . 1 . 1 148 148 ARG N N 15 122.626 0.003 . 1 . . . . . 147 ARG N . 28084 1 865 . 1 . 1 149 149 ASP H H 1 8.431 0.001 . 1 . . . . . 148 ASP H . 28084 1 866 . 1 . 1 149 149 ASP HA H 1 4.568 0.001 . 1 . . . . . 148 ASP HA . 28084 1 867 . 1 . 1 149 149 ASP C C 13 176.221 0.020 . 1 . . . . . 148 ASP C . 28084 1 868 . 1 . 1 149 149 ASP CA C 13 54.292 0.058 . 1 . . . . . 148 ASP CA . 28084 1 869 . 1 . 1 149 149 ASP CB C 13 41.211 0.027 . 1 . . . . . 148 ASP CB . 28084 1 870 . 1 . 1 149 149 ASP N N 15 121.591 0.001 . 1 . . . . . 148 ASP N . 28084 1 871 . 1 . 1 150 150 ALA H H 1 8.275 0.002 . 1 . . . . . 149 ALA H . 28084 1 872 . 1 . 1 150 150 ALA HA H 1 4.253 0.005 . 1 . . . . . 149 ALA HA . 28084 1 873 . 1 . 1 150 150 ALA C C 13 177.971 0.008 . 1 . . . . . 149 ALA C . 28084 1 874 . 1 . 1 150 150 ALA CA C 13 52.916 0.038 . 1 . . . . . 149 ALA CA . 28084 1 875 . 1 . 1 150 150 ALA CB C 13 19.153 0.040 . 1 . . . . . 149 ALA CB . 28084 1 876 . 1 . 1 150 150 ALA N N 15 124.944 0.003 . 1 . . . . . 149 ALA N . 28084 1 877 . 1 . 1 151 151 LYS H H 1 8.319 0.002 . 1 . . . . . 150 LYS H . 28084 1 878 . 1 . 1 151 151 LYS HA H 1 4.248 0.006 . 1 . . . . . 150 LYS HA . 28084 1 879 . 1 . 1 151 151 LYS C C 13 176.584 0.004 . 1 . . . . . 150 LYS C . 28084 1 880 . 1 . 1 151 151 LYS CA C 13 56.403 0.025 . 1 . . . . . 150 LYS CA . 28084 1 881 . 1 . 1 151 151 LYS CB C 13 32.782 0.056 . 1 . . . . . 150 LYS CB . 28084 1 882 . 1 . 1 151 151 LYS N N 15 119.822 0.003 . 1 . . . . . 150 LYS N . 28084 1 883 . 1 . 1 152 152 ARG H H 1 8.254 0.001 . 1 . . . . . 151 ARG H . 28084 1 884 . 1 . 1 152 152 ARG HA H 1 4.331 0.001 . 1 . . . . . 151 ARG HA . 28084 1 885 . 1 . 1 152 152 ARG C C 13 176.085 0.000 . 1 . . . . . 151 ARG C . 28084 1 886 . 1 . 1 152 152 ARG CA C 13 56.039 0.086 . 1 . . . . . 151 ARG CA . 28084 1 887 . 1 . 1 152 152 ARG CB C 13 30.833 0.062 . 1 . . . . . 151 ARG CB . 28084 1 888 . 1 . 1 152 152 ARG N N 15 122.164 0.002 . 1 . . . . . 151 ARG N . 28084 1 889 . 1 . 1 153 153 MET H H 1 8.501 0.002 . 1 . . . . . 152 MET H . 28084 1 890 . 1 . 1 153 153 MET HA H 1 4.409 0.002 . 1 . . . . . 152 MET HA . 28084 1 891 . 1 . 1 153 153 MET C C 13 176.844 0.000 . 1 . . . . . 152 MET C . 28084 1 892 . 1 . 1 153 153 MET CA C 13 56.271 0.028 . 1 . . . . . 152 MET CA . 28084 1 893 . 1 . 1 153 153 MET CB C 13 33.010 0.000 . 1 . . . . . 152 MET CB . 28084 1 894 . 1 . 1 153 153 MET N N 15 123.698 0.003 . 1 . . . . . 152 MET N . 28084 1 895 . 1 . 1 154 154 PRO HA H 1 4.398 0.001 . 1 . . . . . 153 PRO HA . 28084 1 896 . 1 . 1 154 154 PRO C C 13 176.511 0.000 . 1 . . . . . 153 PRO C . 28084 1 897 . 1 . 1 154 154 PRO CA C 13 62.964 0.041 . 1 . . . . . 153 PRO CA . 28084 1 898 . 1 . 1 154 154 PRO CB C 13 32.215 0.000 . 1 . . . . . 153 PRO CB . 28084 1 899 . 1 . 1 154 154 PRO CG C 13 27.647 0.000 . 1 . . . . . 153 PRO CG . 28084 1 900 . 1 . 1 155 155 ALA H H 1 8.511 0.002 . 1 . . . . . 154 ALA H . 28084 1 901 . 1 . 1 155 155 ALA HA H 1 4.277 0.002 . 1 . . . . . 154 ALA HA . 28084 1 902 . 1 . 1 155 155 ALA C C 13 177.765 0.002 . 1 . . . . . 154 ALA C . 28084 1 903 . 1 . 1 155 155 ALA CA C 13 52.350 0.049 . 1 . . . . . 154 ALA CA . 28084 1 904 . 1 . 1 155 155 ALA CB C 13 19.269 0.029 . 1 . . . . . 154 ALA CB . 28084 1 905 . 1 . 1 155 155 ALA N N 15 124.930 0.003 . 1 . . . . . 154 ALA N . 28084 1 906 . 1 . 1 156 156 LYS H H 1 8.398 0.001 . 1 . . . . . 155 LYS H . 28084 1 907 . 1 . 1 156 156 LYS HA H 1 4.268 0.005 . 1 . . . . . 155 LYS HA . 28084 1 908 . 1 . 1 156 156 LYS C C 13 176.550 0.001 . 1 . . . . . 155 LYS C . 28084 1 909 . 1 . 1 156 156 LYS CA C 13 56.374 0.067 . 1 . . . . . 155 LYS CA . 28084 1 910 . 1 . 1 156 156 LYS CB C 13 33.188 0.052 . 1 . . . . . 155 LYS CB . 28084 1 911 . 1 . 1 156 156 LYS N N 15 121.136 0.004 . 1 . . . . . 155 LYS N . 28084 1 912 . 1 . 1 157 157 GLU H H 1 8.550 0.003 . 1 . . . . . 156 GLU H . 28084 1 913 . 1 . 1 157 157 GLU HA H 1 4.302 0.000 . 1 . . . . . 156 GLU HA . 28084 1 914 . 1 . 1 157 157 GLU C C 13 176.309 0.017 . 1 . . . . . 156 GLU C . 28084 1 915 . 1 . 1 157 157 GLU CA C 13 56.469 0.017 . 1 . . . . . 156 GLU CA . 28084 1 916 . 1 . 1 157 157 GLU CB C 13 30.524 0.074 . 1 . . . . . 156 GLU CB . 28084 1 917 . 1 . 1 157 157 GLU N N 15 123.025 0.001 . 1 . . . . . 156 GLU N . 28084 1 918 . 1 . 1 158 158 VAL H H 1 8.393 0.003 . 1 . . . . . 157 VAL H . 28084 1 919 . 1 . 1 158 158 VAL HA H 1 4.171 0.003 . 1 . . . . . 157 VAL HA . 28084 1 920 . 1 . 1 158 158 VAL C C 13 176.239 0.009 . 1 . . . . . 157 VAL C . 28084 1 921 . 1 . 1 158 158 VAL CA C 13 62.356 0.045 . 1 . . . . . 157 VAL CA . 28084 1 922 . 1 . 1 158 158 VAL CB C 13 32.786 0.000 . 1 . . . . . 157 VAL CB . 28084 1 923 . 1 . 1 158 158 VAL N N 15 122.395 0.007 . 1 . . . . . 157 VAL N . 28084 1 924 . 1 . 1 159 159 THR H H 1 8.387 0.003 . 1 . . . . . 158 THR H . 28084 1 925 . 1 . 1 159 159 THR HA H 1 4.363 0.011 . 1 . . . . . 158 THR HA . 28084 1 926 . 1 . 1 159 159 THR C C 13 174.238 0.000 . 1 . . . . . 158 THR C . 28084 1 927 . 1 . 1 159 159 THR CA C 13 61.796 0.018 . 1 . . . . . 158 THR CA . 28084 1 928 . 1 . 1 159 159 THR CB C 13 69.991 0.069 . 1 . . . . . 158 THR CB . 28084 1 929 . 1 . 1 159 159 THR N N 15 119.829 0.005 . 1 . . . . . 158 THR N . 28084 1 930 . 1 . 1 160 160 ILE H H 1 8.348 0.001 . 1 . . . . . 159 ILE H . 28084 1 931 . 1 . 1 160 160 ILE HA H 1 4.183 0.002 . 1 . . . . . 159 ILE HA . 28084 1 932 . 1 . 1 160 160 ILE C C 13 175.599 0.010 . 1 . . . . . 159 ILE C . 28084 1 933 . 1 . 1 160 160 ILE CA C 13 60.854 0.053 . 1 . . . . . 159 ILE CA . 28084 1 934 . 1 . 1 160 160 ILE CB C 13 38.968 0.072 . 1 . . . . . 159 ILE CB . 28084 1 935 . 1 . 1 160 160 ILE N N 15 124.161 0.003 . 1 . . . . . 159 ILE N . 28084 1 936 . 1 . 1 161 161 ASN H H 1 8.678 0.002 . 1 . . . . . 160 ASN H . 28084 1 937 . 1 . 1 161 161 ASN HA H 1 4.782 0.001 . 1 . . . . . 160 ASN HA . 28084 1 938 . 1 . 1 161 161 ASN C C 13 175.337 0.006 . 1 . . . . . 160 ASN C . 28084 1 939 . 1 . 1 161 161 ASN CA C 13 53.015 0.062 . 1 . . . . . 160 ASN CA . 28084 1 940 . 1 . 1 161 161 ASN CB C 13 39.065 0.007 . 1 . . . . . 160 ASN CB . 28084 1 941 . 1 . 1 161 161 ASN N N 15 123.958 0.003 . 1 . . . . . 160 ASN N . 28084 1 942 . 1 . 1 162 162 VAL H H 1 8.408 0.001 . 1 . . . . . 161 VAL H . 28084 1 943 . 1 . 1 162 162 VAL HA H 1 4.174 0.002 . 1 . . . . . 161 VAL HA . 28084 1 944 . 1 . 1 162 162 VAL C C 13 176.577 0.020 . 1 . . . . . 161 VAL C . 28084 1 945 . 1 . 1 162 162 VAL CA C 13 62.745 0.062 . 1 . . . . . 161 VAL CA . 28084 1 946 . 1 . 1 162 162 VAL CB C 13 32.545 0.012 . 1 . . . . . 161 VAL CB . 28084 1 947 . 1 . 1 162 162 VAL N N 15 121.679 0.003 . 1 . . . . . 161 VAL N . 28084 1 948 . 1 . 1 163 163 THR H H 1 8.270 0.002 . 1 . . . . . 162 THR H . 28084 1 949 . 1 . 1 163 163 THR HA H 1 4.313 0.003 . 1 . . . . . 162 THR HA . 28084 1 950 . 1 . 1 163 163 THR C C 13 174.628 0.026 . 1 . . . . . 162 THR C . 28084 1 951 . 1 . 1 163 163 THR CA C 13 62.316 0.068 . 1 . . . . . 162 THR CA . 28084 1 952 . 1 . 1 163 163 THR CB C 13 69.739 0.100 . 1 . . . . . 162 THR CB . 28084 1 953 . 1 . 1 163 163 THR N N 15 117.109 0.009 . 1 . . . . . 162 THR N . 28084 1 954 . 1 . 1 164 164 ASP H H 1 8.333 0.002 . 1 . . . . . 163 ASP H . 28084 1 955 . 1 . 1 164 164 ASP HA H 1 4.619 0.006 . 1 . . . . . 163 ASP HA . 28084 1 956 . 1 . 1 164 164 ASP C C 13 176.530 0.028 . 1 . . . . . 163 ASP C . 28084 1 957 . 1 . 1 164 164 ASP CA C 13 54.688 0.077 . 1 . . . . . 163 ASP CA . 28084 1 958 . 1 . 1 164 164 ASP CB C 13 41.143 0.008 . 1 . . . . . 163 ASP CB . 28084 1 959 . 1 . 1 164 164 ASP N N 15 122.939 0.005 . 1 . . . . . 163 ASP N . 28084 1 960 . 1 . 1 165 165 SER H H 1 8.315 0.002 . 1 . . . . . 164 SER H . 28084 1 961 . 1 . 1 165 165 SER HA H 1 4.392 0.005 . 1 . . . . . 164 SER HA . 28084 1 962 . 1 . 1 165 165 SER C C 13 175.183 0.011 . 1 . . . . . 164 SER C . 28084 1 963 . 1 . 1 165 165 SER CA C 13 58.812 0.034 . 1 . . . . . 164 SER CA . 28084 1 964 . 1 . 1 165 165 SER CB C 13 63.640 0.090 . 1 . . . . . 164 SER CB . 28084 1 965 . 1 . 1 165 165 SER N N 15 116.206 0.001 . 1 . . . . . 164 SER N . 28084 1 966 . 1 . 1 166 166 ILE H H 1 8.189 0.001 . 1 . . . . . 165 ILE H . 28084 1 967 . 1 . 1 166 166 ILE HA H 1 4.097 0.004 . 1 . . . . . 165 ILE HA . 28084 1 968 . 1 . 1 166 166 ILE C C 13 176.998 0.002 . 1 . . . . . 165 ILE C . 28084 1 969 . 1 . 1 166 166 ILE CA C 13 62.125 0.044 . 1 . . . . . 165 ILE CA . 28084 1 970 . 1 . 1 166 166 ILE CB C 13 38.262 0.034 . 1 . . . . . 165 ILE CB . 28084 1 971 . 1 . 1 166 166 ILE N N 15 122.726 0.002 . 1 . . . . . 165 ILE N . 28084 1 972 . 1 . 1 167 167 GLN H H 1 8.418 0.002 . 1 . . . . . 166 GLN H . 28084 1 973 . 1 . 1 167 167 GLN HA H 1 4.304 0.025 . 1 . . . . . 166 GLN HA . 28084 1 974 . 1 . 1 167 167 GLN C C 13 176.070 0.000 . 1 . . . . . 166 GLN C . 28084 1 975 . 1 . 1 167 167 GLN CA C 13 56.607 0.021 . 1 . . . . . 166 GLN CA . 28084 1 976 . 1 . 1 167 167 GLN CB C 13 29.241 0.052 . 1 . . . . . 166 GLN CB . 28084 1 977 . 1 . 1 167 167 GLN N N 15 123.017 0.014 . 1 . . . . . 166 GLN N . 28084 1 978 . 1 . 1 168 168 GLN C C 13 176.051 0.000 . 1 . . . . . 167 GLN C . 28084 1 979 . 1 . 1 168 168 GLN CA C 13 55.959 0.027 . 1 . . . . . 167 GLN CA . 28084 1 980 . 1 . 1 168 168 GLN CB C 13 29.593 0.000 . 1 . . . . . 167 GLN CB . 28084 1 981 . 1 . 1 169 169 MET H H 1 8.465 0.002 . 1 . . . . . 168 MET H . 28084 1 982 . 1 . 1 169 169 MET C C 13 176.671 0.000 . 1 . . . . . 168 MET C . 28084 1 983 . 1 . 1 169 169 MET CA C 13 56.365 0.118 . 1 . . . . . 168 MET CA . 28084 1 984 . 1 . 1 169 169 MET CB C 13 32.930 0.061 . 1 . . . . . 168 MET CB . 28084 1 985 . 1 . 1 169 169 MET N N 15 122.967 0.003 . 1 . . . . . 168 MET N . 28084 1 986 . 1 . 1 170 170 ASP H H 1 8.403 0.002 . 1 . . . . . 169 ASP H . 28084 1 987 . 1 . 1 170 170 ASP HA H 1 4.576 0.006 . 1 . . . . . 169 ASP HA . 28084 1 988 . 1 . 1 170 170 ASP C C 13 177.130 0.007 . 1 . . . . . 169 ASP C . 28084 1 989 . 1 . 1 170 170 ASP CA C 13 54.778 0.046 . 1 . . . . . 169 ASP CA . 28084 1 990 . 1 . 1 170 170 ASP CB C 13 41.092 0.008 . 1 . . . . . 169 ASP CB . 28084 1 991 . 1 . 1 170 170 ASP N N 15 121.404 0.003 . 1 . . . . . 169 ASP N . 28084 1 992 . 1 . 1 171 171 ARG H H 1 8.477 0.004 . 1 . . . . . 170 ARG H . 28084 1 993 . 1 . 1 171 171 ARG HA H 1 4.255 0.005 . 1 . . . . . 170 ARG HA . 28084 1 994 . 1 . 1 171 171 ARG C C 13 177.228 0.007 . 1 . . . . . 170 ARG C . 28084 1 995 . 1 . 1 171 171 ARG CA C 13 57.178 0.013 . 1 . . . . . 170 ARG CA . 28084 1 996 . 1 . 1 171 171 ARG CB C 13 30.069 0.083 . 1 . . . . . 170 ARG CB . 28084 1 997 . 1 . 1 171 171 ARG N N 15 122.445 0.002 . 1 . . . . . 170 ARG N . 28084 1 998 . 1 . 1 172 172 SER H H 1 8.391 0.002 . 1 . . . . . 171 SER H . 28084 1 999 . 1 . 1 172 172 SER HA H 1 4.353 0.003 . 1 . . . . . 171 SER HA . 28084 1 1000 . 1 . 1 172 172 SER C C 13 174.859 0.000 . 1 . . . . . 171 SER C . 28084 1 1001 . 1 . 1 172 172 SER CA C 13 59.618 0.033 . 1 . . . . . 171 SER CA . 28084 1 1002 . 1 . 1 172 172 SER CB C 13 63.701 0.000 . 1 . . . . . 171 SER CB . 28084 1 1003 . 1 . 1 172 172 SER N N 15 115.830 0.004 . 1 . . . . . 171 SER N . 28084 1 1004 . 1 . 1 173 173 ARG H H 1 8.061 0.002 . 1 . . . . . 172 ARG H . 28084 1 1005 . 1 . 1 173 173 ARG HA H 1 4.306 0.003 . 1 . . . . . 172 ARG HA . 28084 1 1006 . 1 . 1 173 173 ARG C C 13 176.206 0.009 . 1 . . . . . 172 ARG C . 28084 1 1007 . 1 . 1 173 173 ARG CA C 13 56.341 0.007 . 1 . . . . . 172 ARG CA . 28084 1 1008 . 1 . 1 173 173 ARG CB C 13 30.579 0.000 . 1 . . . . . 172 ARG CB . 28084 1 1009 . 1 . 1 173 173 ARG N N 15 121.993 0.004 . 1 . . . . . 172 ARG N . 28084 1 1010 . 1 . 1 174 174 ARG H H 1 8.221 0.003 . 1 . . . . . 173 ARG H . 28084 1 1011 . 1 . 1 174 174 ARG HA H 1 4.320 0.000 . 1 . . . . . 173 ARG HA . 28084 1 1012 . 1 . 1 174 174 ARG C C 13 176.262 0.018 . 1 . . . . . 173 ARG C . 28084 1 1013 . 1 . 1 174 174 ARG CA C 13 56.324 0.049 . 1 . . . . . 173 ARG CA . 28084 1 1014 . 1 . 1 174 174 ARG CB C 13 30.645 0.042 . 1 . . . . . 173 ARG CB . 28084 1 1015 . 1 . 1 174 174 ARG N N 15 122.015 0.003 . 1 . . . . . 173 ARG N . 28084 1 1016 . 1 . 1 175 175 ILE H H 1 8.319 0.002 . 1 . . . . . 174 ILE H . 28084 1 1017 . 1 . 1 175 175 ILE HA H 1 4.249 0.008 . 1 . . . . . 174 ILE HA . 28084 1 1018 . 1 . 1 175 175 ILE C C 13 176.570 0.007 . 1 . . . . . 174 ILE C . 28084 1 1019 . 1 . 1 175 175 ILE CA C 13 61.158 0.013 . 1 . . . . . 174 ILE CA . 28084 1 1020 . 1 . 1 175 175 ILE CB C 13 38.675 0.014 . 1 . . . . . 174 ILE CB . 28084 1 1021 . 1 . 1 175 175 ILE N N 15 122.738 0.002 . 1 . . . . . 174 ILE N . 28084 1 1022 . 1 . 1 176 176 THR H H 1 8.338 0.002 . 1 . . . . . 175 THR H . 28084 1 1023 . 1 . 1 176 176 THR HA H 1 4.357 0.010 . 1 . . . . . 175 THR HA . 28084 1 1024 . 1 . 1 176 176 THR C C 13 174.325 0.000 . 1 . . . . . 175 THR C . 28084 1 1025 . 1 . 1 176 176 THR CA C 13 61.744 0.028 . 1 . . . . . 175 THR CA . 28084 1 1026 . 1 . 1 176 176 THR CB C 13 69.962 0.086 . 1 . . . . . 175 THR CB . 28084 1 1027 . 1 . 1 176 176 THR N N 15 119.447 0.012 . 1 . . . . . 175 THR N . 28084 1 1028 . 1 . 1 177 177 LYS H H 1 8.448 0.002 . 1 . . . . . 176 LYS H . 28084 1 1029 . 1 . 1 177 177 LYS HA H 1 4.316 0.005 . 1 . . . . . 176 LYS HA . 28084 1 1030 . 1 . 1 177 177 LYS C C 13 176.125 0.003 . 1 . . . . . 176 LYS C . 28084 1 1031 . 1 . 1 177 177 LYS CA C 13 56.357 0.068 . 1 . . . . . 176 LYS CA . 28084 1 1032 . 1 . 1 177 177 LYS CB C 13 33.210 0.033 . 1 . . . . . 176 LYS CB . 28084 1 1033 . 1 . 1 177 177 LYS N N 15 124.034 0.004 . 1 . . . . . 176 LYS N . 28084 1 1034 . 1 . 1 178 178 ASN H H 1 8.612 0.003 . 1 . . . . . 177 ASN H . 28084 1 1035 . 1 . 1 178 178 ASN HA H 1 4.714 0.026 . 1 . . . . . 177 ASN HA . 28084 1 1036 . 1 . 1 178 178 ASN C C 13 174.918 0.003 . 1 . . . . . 177 ASN C . 28084 1 1037 . 1 . 1 178 178 ASN CA C 13 53.357 0.043 . 1 . . . . . 177 ASN CA . 28084 1 1038 . 1 . 1 178 178 ASN CB C 13 38.739 0.013 . 1 . . . . . 177 ASN CB . 28084 1 1039 . 1 . 1 178 178 ASN N N 15 120.304 0.002 . 1 . . . . . 177 ASN N . 28084 1 1040 . 1 . 1 179 179 CYS H H 1 8.375 0.003 . 1 . . . . . 178 CYS H . 28084 1 1041 . 1 . 1 179 179 CYS HA H 1 4.547 0.013 . 1 . . . . . 178 CYS HA . 28084 1 1042 . 1 . 1 179 179 CYS C C 13 174.311 0.009 . 1 . . . . . 178 CYS C . 28084 1 1043 . 1 . 1 179 179 CYS CA C 13 58.481 0.043 . 1 . . . . . 178 CYS CA . 28084 1 1044 . 1 . 1 179 179 CYS CB C 13 28.230 0.052 . 1 . . . . . 178 CYS CB . 28084 1 1045 . 1 . 1 179 179 CYS N N 15 119.855 0.009 . 1 . . . . . 178 CYS N . 28084 1 1046 . 1 . 1 180 180 VAL H H 1 8.334 0.001 . 1 . . . . . 179 VAL H . 28084 1 1047 . 1 . 1 180 180 VAL HA H 1 4.176 0.010 . 1 . . . . . 179 VAL HA . 28084 1 1048 . 1 . 1 180 180 VAL C C 13 175.089 0.002 . 1 . . . . . 179 VAL C . 28084 1 1049 . 1 . 1 180 180 VAL CA C 13 62.413 0.019 . 1 . . . . . 179 VAL CA . 28084 1 1050 . 1 . 1 180 180 VAL CB C 13 32.804 0.016 . 1 . . . . . 179 VAL CB . 28084 1 1051 . 1 . 1 180 180 VAL N N 15 122.197 0.001 . 1 . . . . . 179 VAL N . 28084 1 1052 . 1 . 1 181 181 ASN H H 1 8.130 0.001 . 1 . . . . . 180 ASN H . 28084 1 1053 . 1 . 1 181 181 ASN HA H 1 4.471 0.003 . 1 . . . . . 180 ASN HA . 28084 1 1054 . 1 . 1 181 181 ASN C C 13 179.459 0.000 . 1 . . . . . 180 ASN C . 28084 1 1055 . 1 . 1 181 181 ASN CA C 13 54.888 0.007 . 1 . . . . . 180 ASN CA . 28084 1 1056 . 1 . 1 181 181 ASN CB C 13 40.436 0.052 . 1 . . . . . 180 ASN CB . 28084 1 1057 . 1 . 1 181 181 ASN N N 15 127.525 0.009 . 1 . . . . . 180 ASN N . 28084 1 stop_ save_