data_7013 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7013 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Study of complexes of Bcl-2 family proteins' 'Structure analysis' . 7013 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7013 _Entry.Title ; 1H, 15N, 13C resonance assignments for Bcl-xL protein 38 kDa dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-01 _Entry.Accession_date 2006-03-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Symmetric Bcl-xL protein dimerization by alpha-helix swapping' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexey Denisov . . . 7013 2 Kalle Gehring . . . 7013 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7013 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 432 7013 '15N chemical shifts' 151 7013 '1H chemical shifts' 208 7013 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 3 . . 2008-09-08 2006-03-01 update BMRB 'complete entry citation' 7013 2 . . 2007-11-16 2006-03-01 update BMRB 'update entry citation' 7013 1 . . 2006-03-31 2006-03-01 original author 'original release' 7013 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7013 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17223694 _Citation.Full_citation . _Citation.Title 'Heat-induced dimerization of Bcl-xL through alpha-helix swapping' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 3 _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 734 _Citation.Page_last 740 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexey Denisov . . . 7013 1 2 Tara Sprules . . . 7013 1 3 James Fraser . . . 7013 1 4 Guennadi Kozlov . . . 7013 1 5 Kalle Gehring . . . 7013 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID apoptosis 7013 1 Bcl-xL 7013 1 deuteration 7013 1 dimer 7013 1 NMR 7013 1 swapping 7013 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 7013 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Symmetric Bcl-xL protein dimerization by alpha-helix swapping' _Citation.Status published _Citation.Type abstract _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title ANZMAG-2006 _Citation.Conference_site 'Murramarang National Park' _Citation.Conference_state_province 'New South Wales' _Citation.Conference_country Australia _Citation.Conference_start_date 2006-02-12 _Citation.Conference_end_date 2006-02-16 _Citation.Conference_abstract_number O46 _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexey Denisov . . . 7013 2 2 Kalle Gehring . . . 7013 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7013 _Assembly.ID 1 _Assembly.Name 'Bcl-xL dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 38000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 7013 1 stop_ 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 'Bcl-xL, chain 1' 1 $Bcl-xL . . yes native no no . . 'Heat-induced dimer-monomer interconversion' 7013 1 2 'Bcl-xL, chain 2' 1 $Bcl-xL . . yes native no no . . 'Heat-induced dimer-monomer interconversion' 7013 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2B48 . . X-ray 3.45 'human Bcl-xL protein dimer' . 7013 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 1 'Extremely slow exchange' 7013 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bcl-xL _Entity.Sf_category entity _Entity.Sf_framecode Bcl-xL _Entity.Entry_ID 7013 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bcl-xL _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 ; SQSNRELVVDFLSYKLSQRG YSWSQFSDVEENRTEAPEET EAEAVKQALREAGDEFELRY RRAFSDLTSQLHITPGTAYQ SFEQVVNELFRDGVNWGRIV AFFSFGGALCVESVDKEMQV LVSRIASWMATYLNDHLEPW IQENGGWDTFVDLYGLEHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Protein contains C-terminal His-tag LEHHHHHH' _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 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2014-05-12 loop_ _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 no DBJ BAE87681 . "unnamed protein product [Macaca fascicularis]" . . . . . 50.31 148 97.56 100.00 4.51e-52 . . . . 7013 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Bcl-xL protein' . 7013 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 7013 1 2 . GLN . 7013 1 3 . SER . 7013 1 4 . ASN . 7013 1 5 . ARG . 7013 1 6 . GLU . 7013 1 7 . LEU . 7013 1 8 . VAL . 7013 1 9 . VAL . 7013 1 10 . ASP . 7013 1 11 . PHE . 7013 1 12 . LEU . 7013 1 13 . SER . 7013 1 14 . TYR . 7013 1 15 . LYS . 7013 1 16 . LEU . 7013 1 17 . SER . 7013 1 18 . GLN . 7013 1 19 . ARG . 7013 1 20 . GLY . 7013 1 21 . TYR . 7013 1 22 . SER . 7013 1 23 . TRP . 7013 1 24 . SER . 7013 1 25 . GLN . 7013 1 26 . PHE . 7013 1 27 . SER . 7013 1 28 . ASP . 7013 1 29 . VAL . 7013 1 30 . GLU . 7013 1 31 . GLU . 7013 1 32 . ASN . 7013 1 33 . ARG . 7013 1 34 . THR . 7013 1 35 . GLU . 7013 1 36 . ALA . 7013 1 37 . PRO . 7013 1 38 . GLU . 7013 1 39 . GLU . 7013 1 40 . THR . 7013 1 41 . GLU . 7013 1 42 . ALA . 7013 1 43 . GLU . 7013 1 44 . ALA . 7013 1 45 . VAL . 7013 1 46 . LYS . 7013 1 47 . GLN . 7013 1 48 . ALA . 7013 1 49 . LEU . 7013 1 50 . ARG . 7013 1 51 . GLU . 7013 1 52 . ALA . 7013 1 53 . GLY . 7013 1 54 . ASP . 7013 1 55 . GLU . 7013 1 56 . PHE . 7013 1 57 . GLU . 7013 1 58 . LEU . 7013 1 59 . ARG . 7013 1 60 . TYR . 7013 1 61 . ARG . 7013 1 62 . ARG . 7013 1 63 . ALA . 7013 1 64 . PHE . 7013 1 65 . SER . 7013 1 66 . ASP . 7013 1 67 . LEU . 7013 1 68 . THR . 7013 1 69 . SER . 7013 1 70 . GLN . 7013 1 71 . LEU . 7013 1 72 . HIS . 7013 1 73 . ILE . 7013 1 74 . THR . 7013 1 75 . PRO . 7013 1 76 . GLY . 7013 1 77 . THR . 7013 1 78 . ALA . 7013 1 79 . TYR . 7013 1 80 . GLN . 7013 1 81 . SER . 7013 1 82 . PHE . 7013 1 83 . GLU . 7013 1 84 . GLN . 7013 1 85 . VAL . 7013 1 86 . VAL . 7013 1 87 . ASN . 7013 1 88 . GLU . 7013 1 89 . LEU . 7013 1 90 . PHE . 7013 1 91 . ARG . 7013 1 92 . ASP . 7013 1 93 . GLY . 7013 1 94 . VAL . 7013 1 95 . ASN . 7013 1 96 . TRP . 7013 1 97 . GLY . 7013 1 98 . ARG . 7013 1 99 . ILE . 7013 1 100 . VAL . 7013 1 101 . ALA . 7013 1 102 . PHE . 7013 1 103 . PHE . 7013 1 104 . SER . 7013 1 105 . PHE . 7013 1 106 . GLY . 7013 1 107 . GLY . 7013 1 108 . ALA . 7013 1 109 . LEU . 7013 1 110 . CYS . 7013 1 111 . VAL . 7013 1 112 . GLU . 7013 1 113 . SER . 7013 1 114 . VAL . 7013 1 115 . ASP . 7013 1 116 . LYS . 7013 1 117 . GLU . 7013 1 118 . MET . 7013 1 119 . GLN . 7013 1 120 . VAL . 7013 1 121 . LEU . 7013 1 122 . VAL . 7013 1 123 . SER . 7013 1 124 . ARG . 7013 1 125 . ILE . 7013 1 126 . ALA . 7013 1 127 . SER . 7013 1 128 . TRP . 7013 1 129 . MET . 7013 1 130 . ALA . 7013 1 131 . THR . 7013 1 132 . TYR . 7013 1 133 . LEU . 7013 1 134 . ASN . 7013 1 135 . ASP . 7013 1 136 . HIS . 7013 1 137 . LEU . 7013 1 138 . GLU . 7013 1 139 . PRO . 7013 1 140 . TRP . 7013 1 141 . ILE . 7013 1 142 . GLN . 7013 1 143 . GLU . 7013 1 144 . ASN . 7013 1 145 . GLY . 7013 1 146 . GLY . 7013 1 147 . TRP . 7013 1 148 . ASP . 7013 1 149 . THR . 7013 1 150 . PHE . 7013 1 151 . VAL . 7013 1 152 . ASP . 7013 1 153 . LEU . 7013 1 154 . TYR . 7013 1 155 . GLY . 7013 1 156 . LEU . 7013 1 157 . GLU . 7013 1 158 . HIS . 7013 1 159 . HIS . 7013 1 160 . HIS . 7013 1 161 . HIS . 7013 1 162 . HIS . 7013 1 163 . HIS . 7013 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 7013 1 . GLN 2 2 7013 1 . SER 3 3 7013 1 . ASN 4 4 7013 1 . ARG 5 5 7013 1 . GLU 6 6 7013 1 . LEU 7 7 7013 1 . VAL 8 8 7013 1 . VAL 9 9 7013 1 . ASP 10 10 7013 1 . PHE 11 11 7013 1 . LEU 12 12 7013 1 . SER 13 13 7013 1 . TYR 14 14 7013 1 . LYS 15 15 7013 1 . LEU 16 16 7013 1 . SER 17 17 7013 1 . GLN 18 18 7013 1 . ARG 19 19 7013 1 . GLY 20 20 7013 1 . TYR 21 21 7013 1 . SER 22 22 7013 1 . TRP 23 23 7013 1 . SER 24 24 7013 1 . GLN 25 25 7013 1 . PHE 26 26 7013 1 . SER 27 27 7013 1 . ASP 28 28 7013 1 . VAL 29 29 7013 1 . GLU 30 30 7013 1 . GLU 31 31 7013 1 . ASN 32 32 7013 1 . ARG 33 33 7013 1 . THR 34 34 7013 1 . GLU 35 35 7013 1 . ALA 36 36 7013 1 . PRO 37 37 7013 1 . GLU 38 38 7013 1 . GLU 39 39 7013 1 . THR 40 40 7013 1 . GLU 41 41 7013 1 . ALA 42 42 7013 1 . GLU 43 43 7013 1 . ALA 44 44 7013 1 . VAL 45 45 7013 1 . LYS 46 46 7013 1 . GLN 47 47 7013 1 . ALA 48 48 7013 1 . LEU 49 49 7013 1 . ARG 50 50 7013 1 . GLU 51 51 7013 1 . ALA 52 52 7013 1 . GLY 53 53 7013 1 . ASP 54 54 7013 1 . GLU 55 55 7013 1 . PHE 56 56 7013 1 . GLU 57 57 7013 1 . LEU 58 58 7013 1 . ARG 59 59 7013 1 . TYR 60 60 7013 1 . ARG 61 61 7013 1 . ARG 62 62 7013 1 . ALA 63 63 7013 1 . PHE 64 64 7013 1 . SER 65 65 7013 1 . ASP 66 66 7013 1 . LEU 67 67 7013 1 . THR 68 68 7013 1 . SER 69 69 7013 1 . GLN 70 70 7013 1 . LEU 71 71 7013 1 . HIS 72 72 7013 1 . ILE 73 73 7013 1 . THR 74 74 7013 1 . PRO 75 75 7013 1 . GLY 76 76 7013 1 . THR 77 77 7013 1 . ALA 78 78 7013 1 . TYR 79 79 7013 1 . GLN 80 80 7013 1 . SER 81 81 7013 1 . PHE 82 82 7013 1 . GLU 83 83 7013 1 . GLN 84 84 7013 1 . VAL 85 85 7013 1 . VAL 86 86 7013 1 . ASN 87 87 7013 1 . GLU 88 88 7013 1 . LEU 89 89 7013 1 . PHE 90 90 7013 1 . ARG 91 91 7013 1 . ASP 92 92 7013 1 . GLY 93 93 7013 1 . VAL 94 94 7013 1 . ASN 95 95 7013 1 . TRP 96 96 7013 1 . GLY 97 97 7013 1 . ARG 98 98 7013 1 . ILE 99 99 7013 1 . VAL 100 100 7013 1 . ALA 101 101 7013 1 . PHE 102 102 7013 1 . PHE 103 103 7013 1 . SER 104 104 7013 1 . PHE 105 105 7013 1 . GLY 106 106 7013 1 . GLY 107 107 7013 1 . ALA 108 108 7013 1 . LEU 109 109 7013 1 . CYS 110 110 7013 1 . VAL 111 111 7013 1 . GLU 112 112 7013 1 . SER 113 113 7013 1 . VAL 114 114 7013 1 . ASP 115 115 7013 1 . LYS 116 116 7013 1 . GLU 117 117 7013 1 . MET 118 118 7013 1 . GLN 119 119 7013 1 . VAL 120 120 7013 1 . LEU 121 121 7013 1 . VAL 122 122 7013 1 . SER 123 123 7013 1 . ARG 124 124 7013 1 . ILE 125 125 7013 1 . ALA 126 126 7013 1 . SER 127 127 7013 1 . TRP 128 128 7013 1 . MET 129 129 7013 1 . ALA 130 130 7013 1 . THR 131 131 7013 1 . TYR 132 132 7013 1 . LEU 133 133 7013 1 . ASN 134 134 7013 1 . ASP 135 135 7013 1 . HIS 136 136 7013 1 . LEU 137 137 7013 1 . GLU 138 138 7013 1 . PRO 139 139 7013 1 . TRP 140 140 7013 1 . ILE 141 141 7013 1 . GLN 142 142 7013 1 . GLU 143 143 7013 1 . ASN 144 144 7013 1 . GLY 145 145 7013 1 . GLY 146 146 7013 1 . TRP 147 147 7013 1 . ASP 148 148 7013 1 . THR 149 149 7013 1 . PHE 150 150 7013 1 . VAL 151 151 7013 1 . ASP 152 152 7013 1 . LEU 153 153 7013 1 . TYR 154 154 7013 1 . GLY 155 155 7013 1 . LEU 156 156 7013 1 . GLU 157 157 7013 1 . HIS 158 158 7013 1 . HIS 159 159 7013 1 . HIS 160 160 7013 1 . HIS 161 161 7013 1 . HIS 162 162 7013 1 . HIS 163 163 7013 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 7013 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Bcl-xL . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 7013 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 7013 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Bcl-xL . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET-29b . . . . . . 7013 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7013 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10%/90% D2O/H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Bcl-xL dimer' '[U-99% 13C; U-99% 15N; U-80% 2D]' 1 $assembly . . . . 1 . . mM . . . . 7013 1 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 7013 1 3 D2O . . . . . . . 10 . . % . . . . 7013 1 4 H2O . . . . . . . 90 . . % . . . . 7013 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7013 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 7013 1 temperature 303 0.5 K 7013 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7013 _Software.ID 1 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7013 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 7013 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7013 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H15N-TROSY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7013 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7013 1 3 3D-NOESY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7013 1 4 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7013 1 5 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7013 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7013 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7013 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7013 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7013 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7013 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N-TROSY-HSQC 1 $sample_1 isotropic 7013 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN C C 13 176.3 0.20 . 1 . . . . 2 GLN C . 7013 1 2 . 1 1 2 2 GLN CA C 13 56.0 0.20 . 1 . . . . 2 GLN CA . 7013 1 3 . 1 1 3 3 SER H H 1 8.62 0.01 . 1 . . . . 3 SER HN . 7013 1 4 . 1 1 3 3 SER C C 13 175.9 0.20 . 1 . . . . 3 SER C . 7013 1 5 . 1 1 3 3 SER CA C 13 58.5 0.20 . 1 . . . . 3 SER CA . 7013 1 6 . 1 1 3 3 SER CB C 13 63.0 0.20 . 1 . . . . 3 SER CB . 7013 1 7 . 1 1 3 3 SER N N 15 116.6 0.25 . 1 . . . . 3 SER N . 7013 1 8 . 1 1 4 4 ASN H H 1 8.63 0.01 . 1 . . . . 4 ASN HN . 7013 1 9 . 1 1 4 4 ASN C C 13 177.5 0.20 . 1 . . . . 4 ASN C . 7013 1 10 . 1 1 4 4 ASN CA C 13 55.7 0.20 . 1 . . . . 4 ASN CA . 7013 1 11 . 1 1 4 4 ASN CB C 13 37.4 0.20 . 1 . . . . 4 ASN CB . 7013 1 12 . 1 1 4 4 ASN N N 15 121.6 0.25 . 1 . . . . 4 ASN N . 7013 1 13 . 1 1 5 5 ARG H H 1 8.27 0.01 . 1 . . . . 5 ARG HN . 7013 1 14 . 1 1 5 5 ARG C C 13 177.6 0.20 . 1 . . . . 5 ARG C . 7013 1 15 . 1 1 5 5 ARG CA C 13 59.6 0.20 . 1 . . . . 5 ARG CA . 7013 1 16 . 1 1 5 5 ARG CB C 13 28.9 0.20 . 1 . . . . 5 ARG CB . 7013 1 17 . 1 1 5 5 ARG N N 15 119.5 0.25 . 1 . . . . 5 ARG N . 7013 1 18 . 1 1 6 6 GLU H H 1 7.92 0.01 . 1 . . . . 6 GLU HN . 7013 1 19 . 1 1 6 6 GLU C C 13 179.4 0.20 . 1 . . . . 6 GLU C . 7013 1 20 . 1 1 6 6 GLU CA C 13 58.9 0.20 . 1 . . . . 6 GLU CA . 7013 1 21 . 1 1 6 6 GLU CB C 13 28.5 0.20 . 1 . . . . 6 GLU CB . 7013 1 22 . 1 1 6 6 GLU N N 15 117.0 0.25 . 1 . . . . 6 GLU N . 7013 1 23 . 1 1 7 7 LEU H H 1 7.67 0.01 . 1 . . . . 7 LEU HN . 7013 1 24 . 1 1 7 7 LEU C C 13 178.5 0.20 . 1 . . . . 7 LEU C . 7013 1 25 . 1 1 7 7 LEU CA C 13 57.7 0.20 . 1 . . . . 7 LEU CA . 7013 1 26 . 1 1 7 7 LEU CB C 13 40.8 0.20 . 1 . . . . 7 LEU CB . 7013 1 27 . 1 1 7 7 LEU N N 15 119.1 0.25 . 1 . . . . 7 LEU N . 7013 1 28 . 1 1 8 8 VAL H H 1 7.75 0.01 . 1 . . . . 8 VAL HN . 7013 1 29 . 1 1 8 8 VAL HG11 H 1 1.06 0.01 . 2 . . . . 8 VAL HG1 . 7013 1 30 . 1 1 8 8 VAL HG12 H 1 1.06 0.01 . 2 . . . . 8 VAL HG1 . 7013 1 31 . 1 1 8 8 VAL HG13 H 1 1.06 0.01 . 2 . . . . 8 VAL HG1 . 7013 1 32 . 1 1 8 8 VAL C C 13 177.4 0.20 . 1 . . . . 8 VAL C . 7013 1 33 . 1 1 8 8 VAL CA C 13 66.7 0.20 . 1 . . . . 8 VAL CA . 7013 1 34 . 1 1 8 8 VAL CB C 13 31.5 0.20 . 1 . . . . 8 VAL CB . 7013 1 35 . 1 1 8 8 VAL N N 15 117.0 0.25 . 1 . . . . 8 VAL N . 7013 1 36 . 1 1 9 9 VAL H H 1 8.50 0.01 . 1 . . . . 9 VAL HN . 7013 1 37 . 1 1 9 9 VAL HG11 H 1 1.03 0.01 . 2 . . . . 9 VAL HG1 . 7013 1 38 . 1 1 9 9 VAL HG12 H 1 1.03 0.01 . 2 . . . . 9 VAL HG1 . 7013 1 39 . 1 1 9 9 VAL HG13 H 1 1.03 0.01 . 2 . . . . 9 VAL HG1 . 7013 1 40 . 1 1 9 9 VAL C C 13 178.4 0.20 . 1 . . . . 9 VAL C . 7013 1 41 . 1 1 9 9 VAL CA C 13 66.5 0.20 . 1 . . . . 9 VAL CA . 7013 1 42 . 1 1 9 9 VAL CB C 13 31.0 0.20 . 1 . . . . 9 VAL CB . 7013 1 43 . 1 1 9 9 VAL N N 15 116.5 0.25 . 1 . . . . 9 VAL N . 7013 1 44 . 1 1 10 10 ASP H H 1 7.99 0.01 . 1 . . . . 10 ASP HN . 7013 1 45 . 1 1 10 10 ASP C C 13 177.4 0.20 . 1 . . . . 10 ASP C . 7013 1 46 . 1 1 10 10 ASP CA C 13 58.3 0.20 . 1 . . . . 10 ASP CA . 7013 1 47 . 1 1 10 10 ASP CB C 13 42.5 0.20 . 1 . . . . 10 ASP CB . 7013 1 48 . 1 1 10 10 ASP N N 15 120.0 0.25 . 1 . . . . 10 ASP N . 7013 1 49 . 1 1 11 11 PHE H H 1 8.33 0.01 . 1 . . . . 11 PHE HN . 7013 1 50 . 1 1 11 11 PHE C C 13 178.1 0.20 . 1 . . . . 11 PHE C . 7013 1 51 . 1 1 11 11 PHE CA C 13 62.6 0.20 . 1 . . . . 11 PHE CA . 7013 1 52 . 1 1 11 11 PHE CB C 13 39.4 0.20 . 1 . . . . 11 PHE CB . 7013 1 53 . 1 1 11 11 PHE N N 15 120.0 0.25 . 1 . . . . 11 PHE N . 7013 1 54 . 1 1 12 12 LEU H H 1 8.93 0.01 . 1 . . . . 12 LEU HN . 7013 1 55 . 1 1 12 12 LEU C C 13 179.1 0.20 . 1 . . . . 12 LEU C . 7013 1 56 . 1 1 12 12 LEU CA C 13 58.0 0.20 . 1 . . . . 12 LEU CA . 7013 1 57 . 1 1 12 12 LEU CB C 13 40.5 0.20 . 1 . . . . 12 LEU CB . 7013 1 58 . 1 1 12 12 LEU N N 15 116.0 0.25 . 1 . . . . 12 LEU N . 7013 1 59 . 1 1 13 13 SER H H 1 8.59 0.01 . 1 . . . . 13 SER HN . 7013 1 60 . 1 1 13 13 SER C C 13 177.3 0.20 . 1 . . . . 13 SER C . 7013 1 61 . 1 1 13 13 SER CA C 13 62.1 0.20 . 1 . . . . 13 SER CA . 7013 1 62 . 1 1 13 13 SER N N 15 113.0 0.25 . 1 . . . . 13 SER N . 7013 1 63 . 1 1 14 14 TYR H H 1 8.39 0.01 . 1 . . . . 14 TYR HN . 7013 1 64 . 1 1 14 14 TYR C C 13 178.2 0.20 . 1 . . . . 14 TYR C . 7013 1 65 . 1 1 14 14 TYR CA C 13 59.8 0.20 . 1 . . . . 14 TYR CA . 7013 1 66 . 1 1 14 14 TYR CB C 13 37.5 0.20 . 1 . . . . 14 TYR CB . 7013 1 67 . 1 1 14 14 TYR N N 15 123.4 0.25 . 1 . . . . 14 TYR N . 7013 1 68 . 1 1 15 15 LYS H H 1 8.35 0.01 . 1 . . . . 15 LYS HN . 7013 1 69 . 1 1 15 15 LYS C C 13 180.4 0.20 . 1 . . . . 15 LYS C . 7013 1 70 . 1 1 15 15 LYS CA C 13 56.7 0.20 . 1 . . . . 15 LYS CA . 7013 1 71 . 1 1 15 15 LYS CB C 13 29.1 0.20 . 1 . . . . 15 LYS CB . 7013 1 72 . 1 1 15 15 LYS N N 15 119.5 0.25 . 1 . . . . 15 LYS N . 7013 1 73 . 1 1 16 16 LEU H H 1 8.66 0.01 . 1 . . . . 16 LEU HN . 7013 1 74 . 1 1 16 16 LEU C C 13 179.8 0.20 . 1 . . . . 16 LEU C . 7013 1 75 . 1 1 16 16 LEU CA C 13 58.2 0.20 . 1 . . . . 16 LEU CA . 7013 1 76 . 1 1 16 16 LEU CB C 13 39.8 0.20 . 1 . . . . 16 LEU CB . 7013 1 77 . 1 1 16 16 LEU N N 15 119.3 0.25 . 1 . . . . 16 LEU N . 7013 1 78 . 1 1 17 17 SER H H 1 8.29 0.01 . 1 . . . . 17 SER HN . 7013 1 79 . 1 1 17 17 SER C C 13 178.3 0.20 . 1 . . . . 17 SER C . 7013 1 80 . 1 1 17 17 SER CA C 13 61.4 0.20 . 1 . . . . 17 SER CA . 7013 1 81 . 1 1 17 17 SER CB C 13 62.2 0.20 . 1 . . . . 17 SER CB . 7013 1 82 . 1 1 17 17 SER N N 15 116.9 0.25 . 1 . . . . 17 SER N . 7013 1 83 . 1 1 18 18 GLN H H 1 7.70 0.01 . 1 . . . . 18 GLN HN . 7013 1 84 . 1 1 18 18 GLN C C 13 177.3 0.20 . 1 . . . . 18 GLN C . 7013 1 85 . 1 1 18 18 GLN CA C 13 57.9 0.20 . 1 . . . . 18 GLN CA . 7013 1 86 . 1 1 18 18 GLN CB C 13 28.2 0.20 . 1 . . . . 18 GLN CB . 7013 1 87 . 1 1 18 18 GLN N N 15 121.9 0.25 . 1 . . . . 18 GLN N . 7013 1 88 . 1 1 19 19 ARG H H 1 7.32 0.01 . 1 . . . . 19 ARG HN . 7013 1 89 . 1 1 19 19 ARG C C 13 175.2 0.20 . 1 . . . . 19 ARG C . 7013 1 90 . 1 1 19 19 ARG CA C 13 53.7 0.20 . 1 . . . . 19 ARG CA . 7013 1 91 . 1 1 19 19 ARG CB C 13 29.4 0.20 . 1 . . . . 19 ARG CB . 7013 1 92 . 1 1 19 19 ARG N N 15 116.7 0.25 . 1 . . . . 19 ARG N . 7013 1 93 . 1 1 20 20 GLY H H 1 7.50 0.01 . 1 . . . . 20 GLY HN . 7013 1 94 . 1 1 20 20 GLY C C 13 173.8 0.20 . 1 . . . . 20 GLY C . 7013 1 95 . 1 1 20 20 GLY CA C 13 44.6 0.20 . 1 . . . . 20 GLY CA . 7013 1 96 . 1 1 20 20 GLY N N 15 104.6 0.25 . 1 . . . . 20 GLY N . 7013 1 97 . 1 1 21 21 TYR H H 1 7.83 0.01 . 1 . . . . 21 TYR HN . 7013 1 98 . 1 1 21 21 TYR C C 13 175.1 0.20 . 1 . . . . 21 TYR C . 7013 1 99 . 1 1 21 21 TYR CA C 13 55.9 0.20 . 1 . . . . 21 TYR CA . 7013 1 100 . 1 1 21 21 TYR CB C 13 39.1 0.20 . 1 . . . . 21 TYR CB . 7013 1 101 . 1 1 21 21 TYR N N 15 119.4 0.25 . 1 . . . . 21 TYR N . 7013 1 102 . 1 1 22 22 SER H H 1 8.23 0.01 . 1 . . . . 22 SER HN . 7013 1 103 . 1 1 22 22 SER C C 13 173.0 0.20 . 1 . . . . 22 SER C . 7013 1 104 . 1 1 22 22 SER CA C 13 57.2 0.20 . 1 . . . . 22 SER CA . 7013 1 105 . 1 1 22 22 SER CB C 13 63.0 0.20 . 1 . . . . 22 SER CB . 7013 1 106 . 1 1 22 22 SER N N 15 117.2 0.25 . 1 . . . . 22 SER N . 7013 1 107 . 1 1 23 23 TRP H H 1 8.37 0.01 . 1 . . . . 23 TRP HN . 7013 1 108 . 1 1 23 23 TRP HE1 H 1 9.77 0.01 . 1 . . . . 23 TRP HE1 . 7013 1 109 . 1 1 23 23 TRP C C 13 175.3 0.20 . 1 . . . . 23 TRP C . 7013 1 110 . 1 1 23 23 TRP CA C 13 57.3 0.20 . 1 . . . . 23 TRP CA . 7013 1 111 . 1 1 23 23 TRP CB C 13 29.9 0.20 . 1 . . . . 23 TRP CB . 7013 1 112 . 1 1 23 23 TRP N N 15 125.4 0.25 . 1 . . . . 23 TRP N . 7013 1 113 . 1 1 23 23 TRP NE1 N 15 128.4 0.25 . 1 . . . . 23 TRP NE1 . 7013 1 114 . 1 1 24 24 SER H H 1 7.96 0.01 . 1 . . . . 24 SER HN . 7013 1 115 . 1 1 24 24 SER C C 13 173.4 0.20 . 1 . . . . 24 SER C . 7013 1 116 . 1 1 24 24 SER CA C 13 57.7 0.20 . 1 . . . . 24 SER CA . 7013 1 117 . 1 1 24 24 SER CB C 13 63.3 0.20 . 1 . . . . 24 SER CB . 7013 1 118 . 1 1 24 24 SER N N 15 118.8 0.25 . 1 . . . . 24 SER N . 7013 1 119 . 1 1 25 25 GLN H H 1 7.65 0.01 . 1 . . . . 25 GLN HN . 7013 1 120 . 1 1 25 25 GLN C C 13 175.1 0.20 . 1 . . . . 25 GLN C . 7013 1 121 . 1 1 25 25 GLN CA C 13 55.5 0.20 . 1 . . . . 25 GLN CA . 7013 1 122 . 1 1 25 25 GLN CB C 13 28.4 0.20 . 1 . . . . 25 GLN CB . 7013 1 123 . 1 1 25 25 GLN N N 15 120.4 0.25 . 1 . . . . 25 GLN N . 7013 1 124 . 1 1 26 26 PHE H H 1 7.93 0.01 . 1 . . . . 26 PHE HN . 7013 1 125 . 1 1 26 26 PHE C C 13 175.5 0.20 . 1 . . . . 26 PHE C . 7013 1 126 . 1 1 26 26 PHE CA C 13 56.9 0.20 . 1 . . . . 26 PHE CA . 7013 1 127 . 1 1 26 26 PHE CB C 13 39.1 0.20 . 1 . . . . 26 PHE CB . 7013 1 128 . 1 1 26 26 PHE N N 15 120.2 0.25 . 1 . . . . 26 PHE N . 7013 1 129 . 1 1 27 27 SER H H 1 8.04 0.01 . 1 . . . . 27 SER HN . 7013 1 130 . 1 1 27 27 SER C C 13 173.8 0.20 . 1 . . . . 27 SER C . 7013 1 131 . 1 1 27 27 SER CA C 13 57.9 0.20 . 1 . . . . 27 SER CA . 7013 1 132 . 1 1 27 27 SER CB C 13 63.5 0.20 . 1 . . . . 27 SER CB . 7013 1 133 . 1 1 27 27 SER N N 15 116.4 0.25 . 1 . . . . 27 SER N . 7013 1 134 . 1 1 28 28 ASP H H 1 8.30 0.01 . 1 . . . . 28 ASP HN . 7013 1 135 . 1 1 28 28 ASP C C 13 176.1 0.20 . 1 . . . . 28 ASP C . 7013 1 136 . 1 1 28 28 ASP CA C 13 54.0 0.20 . 1 . . . . 28 ASP CA . 7013 1 137 . 1 1 28 28 ASP CB C 13 40.6 0.20 . 1 . . . . 28 ASP CB . 7013 1 138 . 1 1 28 28 ASP N N 15 122.0 0.25 . 1 . . . . 28 ASP N . 7013 1 139 . 1 1 29 29 VAL H H 1 7.92 0.01 . 1 . . . . 29 VAL HN . 7013 1 140 . 1 1 29 29 VAL HG11 H 1 0.85 0.01 . 2 . . . . 29 VAL HG1 . 7013 1 141 . 1 1 29 29 VAL HG12 H 1 0.85 0.01 . 2 . . . . 29 VAL HG1 . 7013 1 142 . 1 1 29 29 VAL HG13 H 1 0.85 0.01 . 2 . . . . 29 VAL HG1 . 7013 1 143 . 1 1 29 29 VAL C C 13 176.2 0.20 . 1 . . . . 29 VAL C . 7013 1 144 . 1 1 29 29 VAL CA C 13 61.9 0.20 . 1 . . . . 29 VAL CA . 7013 1 145 . 1 1 29 29 VAL CB C 13 32.1 0.20 . 1 . . . . 29 VAL CB . 7013 1 146 . 1 1 29 29 VAL N N 15 118.5 0.25 . 1 . . . . 29 VAL N . 7013 1 147 . 1 1 30 30 GLU H H 1 8.34 0.01 . 1 . . . . 30 GLU HN . 7013 1 148 . 1 1 30 30 GLU C C 13 176.5 0.20 . 1 . . . . 30 GLU C . 7013 1 149 . 1 1 30 30 GLU CA C 13 56.3 0.20 . 1 . . . . 30 GLU CA . 7013 1 150 . 1 1 30 30 GLU CB C 13 29.3 0.20 . 1 . . . . 30 GLU CB . 7013 1 151 . 1 1 30 30 GLU N N 15 123.2 0.25 . 1 . . . . 30 GLU N . 7013 1 152 . 1 1 31 31 GLU H H 1 8.30 0.01 . 1 . . . . 31 GLU HN . 7013 1 153 . 1 1 31 31 GLU C C 13 176.0 0.20 . 1 . . . . 31 GLU C . 7013 1 154 . 1 1 31 31 GLU CA C 13 56.5 0.20 . 1 . . . . 31 GLU CA . 7013 1 155 . 1 1 31 31 GLU CB C 13 29.6 0.20 . 1 . . . . 31 GLU CB . 7013 1 156 . 1 1 31 31 GLU N N 15 120.9 0.25 . 1 . . . . 31 GLU N . 7013 1 157 . 1 1 32 32 ASN H H 1 8.41 0.01 . 1 . . . . 32 ASN HN . 7013 1 158 . 1 1 32 32 ASN C C 13 174.8 0.20 . 1 . . . . 32 ASN C . 7013 1 159 . 1 1 32 32 ASN CA C 13 53.0 0.20 . 1 . . . . 32 ASN CA . 7013 1 160 . 1 1 32 32 ASN CB C 13 38.2 0.20 . 1 . . . . 32 ASN CB . 7013 1 161 . 1 1 32 32 ASN N N 15 118.7 0.25 . 1 . . . . 32 ASN N . 7013 1 162 . 1 1 33 33 ARG H H 1 8.22 0.01 . 1 . . . . 33 ARG HN . 7013 1 163 . 1 1 33 33 ARG C C 13 176.4 0.20 . 1 . . . . 33 ARG C . 7013 1 164 . 1 1 33 33 ARG CA C 13 55.7 0.20 . 1 . . . . 33 ARG CA . 7013 1 165 . 1 1 33 33 ARG CB C 13 29.9 0.20 . 1 . . . . 33 ARG CB . 7013 1 166 . 1 1 33 33 ARG N N 15 121.3 0.25 . 1 . . . . 33 ARG N . 7013 1 167 . 1 1 34 34 THR H H 1 8.25 0.01 . 1 . . . . 34 THR HN . 7013 1 168 . 1 1 34 34 THR C C 13 174.4 0.20 . 1 . . . . 34 THR C . 7013 1 169 . 1 1 34 34 THR CA C 13 61.6 0.20 . 1 . . . . 34 THR CA . 7013 1 170 . 1 1 34 34 THR CB C 13 69.3 0.20 . 1 . . . . 34 THR CB . 7013 1 171 . 1 1 34 34 THR N N 15 115.3 0.25 . 1 . . . . 34 THR N . 7013 1 172 . 1 1 35 35 GLU H H 1 8.31 0.01 . 1 . . . . 35 GLU HN . 7013 1 173 . 1 1 35 35 GLU C C 13 175.5 0.20 . 1 . . . . 35 GLU C . 7013 1 174 . 1 1 35 35 GLU CA C 13 55.8 0.20 . 1 . . . . 35 GLU CA . 7013 1 175 . 1 1 35 35 GLU CB C 13 29.6 0.20 . 1 . . . . 35 GLU CB . 7013 1 176 . 1 1 35 35 GLU N N 15 122.2 0.25 . 1 . . . . 35 GLU N . 7013 1 177 . 1 1 36 36 ALA H H 1 8.27 0.01 . 1 . . . . 36 ALA HN . 7013 1 178 . 1 1 36 36 ALA HB1 H 1 1.32 0.01 . 1 . . . . 36 ALA HB . 7013 1 179 . 1 1 36 36 ALA HB2 H 1 1.32 0.01 . 1 . . . . 36 ALA HB . 7013 1 180 . 1 1 36 36 ALA HB3 H 1 1.32 0.01 . 1 . . . . 36 ALA HB . 7013 1 181 . 1 1 36 36 ALA CA C 13 50.2 0.20 . 1 . . . . 36 ALA CA . 7013 1 182 . 1 1 36 36 ALA CB C 13 17.9 0.20 . 1 . . . . 36 ALA CB . 7013 1 183 . 1 1 36 36 ALA N N 15 125.7 0.25 . 1 . . . . 36 ALA N . 7013 1 184 . 1 1 37 37 PRO C C 13 177.1 0.20 . 1 . . . . 37 PRO C . 7013 1 185 . 1 1 37 37 PRO CA C 13 62.8 0.20 . 1 . . . . 37 PRO CA . 7013 1 186 . 1 1 38 38 GLU H H 1 8.56 0.01 . 1 . . . . 38 GLU HN . 7013 1 187 . 1 1 38 38 GLU C C 13 176.7 0.20 . 1 . . . . 38 GLU C . 7013 1 188 . 1 1 38 38 GLU CA C 13 56.5 0.20 . 1 . . . . 38 GLU CA . 7013 1 189 . 1 1 38 38 GLU CB C 13 29.3 0.20 . 1 . . . . 38 GLU CB . 7013 1 190 . 1 1 38 38 GLU N N 15 119.9 0.25 . 1 . . . . 38 GLU N . 7013 1 191 . 1 1 39 39 GLU H H 1 8.41 0.01 . 1 . . . . 39 GLU HN . 7013 1 192 . 1 1 39 39 GLU C C 13 176.7 0.20 . 1 . . . . 39 GLU C . 7013 1 193 . 1 1 39 39 GLU CA C 13 56.3 0.20 . 1 . . . . 39 GLU CA . 7013 1 194 . 1 1 39 39 GLU CB C 13 29.3 0.20 . 1 . . . . 39 GLU CB . 7013 1 195 . 1 1 39 39 GLU N N 15 121.8 0.25 . 1 . . . . 39 GLU N . 7013 1 196 . 1 1 40 40 THR H H 1 8.22 0.01 . 1 . . . . 40 THR HN . 7013 1 197 . 1 1 40 40 THR C C 13 175.4 0.20 . 1 . . . . 40 THR C . 7013 1 198 . 1 1 40 40 THR CA C 13 62.1 0.20 . 1 . . . . 40 THR CA . 7013 1 199 . 1 1 40 40 THR CB C 13 69.2 0.20 . 1 . . . . 40 THR CB . 7013 1 200 . 1 1 40 40 THR N N 15 114.9 0.25 . 1 . . . . 40 THR N . 7013 1 201 . 1 1 41 41 GLU H H 1 8.68 0.01 . 1 . . . . 41 GLU HN . 7013 1 202 . 1 1 41 41 GLU C C 13 177.0 0.20 . 1 . . . . 41 GLU C . 7013 1 203 . 1 1 41 41 GLU CA C 13 57.2 0.20 . 1 . . . . 41 GLU CA . 7013 1 204 . 1 1 41 41 GLU CB C 13 28.8 0.20 . 1 . . . . 41 GLU CB . 7013 1 205 . 1 1 41 41 GLU N N 15 122.6 0.25 . 1 . . . . 41 GLU N . 7013 1 206 . 1 1 42 42 ALA H H 1 8.27 0.01 . 1 . . . . 42 ALA HN . 7013 1 207 . 1 1 42 42 ALA HB1 H 1 1.36 0.01 . 1 . . . . 42 ALA HB . 7013 1 208 . 1 1 42 42 ALA HB2 H 1 1.36 0.01 . 1 . . . . 42 ALA HB . 7013 1 209 . 1 1 42 42 ALA HB3 H 1 1.36 0.01 . 1 . . . . 42 ALA HB . 7013 1 210 . 1 1 42 42 ALA C C 13 178.7 0.20 . 1 . . . . 42 ALA C . 7013 1 211 . 1 1 42 42 ALA CA C 13 53.2 0.20 . 1 . . . . 42 ALA CA . 7013 1 212 . 1 1 42 42 ALA CB C 13 18.2 0.20 . 1 . . . . 42 ALA CB . 7013 1 213 . 1 1 42 42 ALA N N 15 122.8 0.25 . 1 . . . . 42 ALA N . 7013 1 214 . 1 1 43 43 GLU H H 1 8.14 0.01 . 1 . . . . 43 GLU HN . 7013 1 215 . 1 1 43 43 GLU C C 13 178.1 0.20 . 1 . . . . 43 GLU C . 7013 1 216 . 1 1 43 43 GLU CA C 13 58.6 0.20 . 1 . . . . 43 GLU CA . 7013 1 217 . 1 1 43 43 GLU CB C 13 28.5 0.20 . 1 . . . . 43 GLU CB . 7013 1 218 . 1 1 43 43 GLU N N 15 118.7 0.25 . 1 . . . . 43 GLU N . 7013 1 219 . 1 1 44 44 ALA H H 1 8.12 0.01 . 1 . . . . 44 ALA HN . 7013 1 220 . 1 1 44 44 ALA HB1 H 1 1.44 0.01 . 1 . . . . 44 ALA HB . 7013 1 221 . 1 1 44 44 ALA HB2 H 1 1.44 0.01 . 1 . . . . 44 ALA HB . 7013 1 222 . 1 1 44 44 ALA HB3 H 1 1.44 0.01 . 1 . . . . 44 ALA HB . 7013 1 223 . 1 1 44 44 ALA C C 13 180.3 0.20 . 1 . . . . 44 ALA C . 7013 1 224 . 1 1 44 44 ALA CA C 13 54.8 0.20 . 1 . . . . 44 ALA CA . 7013 1 225 . 1 1 44 44 ALA CB C 13 17.7 0.20 . 1 . . . . 44 ALA CB . 7013 1 226 . 1 1 44 44 ALA N N 15 120.4 0.25 . 1 . . . . 44 ALA N . 7013 1 227 . 1 1 45 45 VAL H H 1 7.52 0.01 . 1 . . . . 45 VAL HN . 7013 1 228 . 1 1 45 45 VAL HG11 H 1 0.96 0.01 . 2 . . . . 45 VAL HG1 . 7013 1 229 . 1 1 45 45 VAL HG12 H 1 0.96 0.01 . 2 . . . . 45 VAL HG1 . 7013 1 230 . 1 1 45 45 VAL HG13 H 1 0.96 0.01 . 2 . . . . 45 VAL HG1 . 7013 1 231 . 1 1 45 45 VAL C C 13 176.9 0.20 . 1 . . . . 45 VAL C . 7013 1 232 . 1 1 45 45 VAL CA C 13 65.4 0.20 . 1 . . . . 45 VAL CA . 7013 1 233 . 1 1 45 45 VAL CB C 13 29.1 0.20 . 1 . . . . 45 VAL CB . 7013 1 234 . 1 1 45 45 VAL N N 15 117.9 0.25 . 1 . . . . 45 VAL N . 7013 1 235 . 1 1 46 46 LYS H H 1 7.56 0.01 . 1 . . . . 46 LYS HN . 7013 1 236 . 1 1 46 46 LYS C C 13 179.0 0.20 . 1 . . . . 46 LYS C . 7013 1 237 . 1 1 46 46 LYS CA C 13 59.2 0.20 . 1 . . . . 46 LYS CA . 7013 1 238 . 1 1 46 46 LYS CB C 13 31.6 0.20 . 1 . . . . 46 LYS CB . 7013 1 239 . 1 1 46 46 LYS N N 15 117.5 0.25 . 1 . . . . 46 LYS N . 7013 1 240 . 1 1 47 47 GLN H H 1 8.02 0.01 . 1 . . . . 47 GLN HN . 7013 1 241 . 1 1 47 47 GLN C C 13 177.7 0.20 . 1 . . . . 47 GLN C . 7013 1 242 . 1 1 47 47 GLN CA C 13 58.5 0.20 . 1 . . . . 47 GLN CA . 7013 1 243 . 1 1 47 47 GLN CB C 13 27.5 0.20 . 1 . . . . 47 GLN CB . 7013 1 244 . 1 1 47 47 GLN N N 15 115.6 0.25 . 1 . . . . 47 GLN N . 7013 1 245 . 1 1 48 48 ALA H H 1 7.79 0.01 . 1 . . . . 48 ALA HN . 7013 1 246 . 1 1 48 48 ALA HB1 H 1 1.37 0.01 . 1 . . . . 48 ALA HB . 7013 1 247 . 1 1 48 48 ALA HB2 H 1 1.37 0.01 . 1 . . . . 48 ALA HB . 7013 1 248 . 1 1 48 48 ALA HB3 H 1 1.37 0.01 . 1 . . . . 48 ALA HB . 7013 1 249 . 1 1 48 48 ALA C C 13 179.5 0.20 . 1 . . . . 48 ALA C . 7013 1 250 . 1 1 48 48 ALA CA C 13 54.4 0.20 . 1 . . . . 48 ALA CA . 7013 1 251 . 1 1 48 48 ALA CB C 13 18.1 0.20 . 1 . . . . 48 ALA CB . 7013 1 252 . 1 1 48 48 ALA N N 15 120.2 0.25 . 1 . . . . 48 ALA N . 7013 1 253 . 1 1 49 49 LEU H H 1 8.51 0.01 . 1 . . . . 49 LEU HN . 7013 1 254 . 1 1 49 49 LEU C C 13 179.5 0.20 . 1 . . . . 49 LEU C . 7013 1 255 . 1 1 49 49 LEU CA C 13 58.0 0.20 . 1 . . . . 49 LEU CA . 7013 1 256 . 1 1 49 49 LEU CB C 13 41.4 0.20 . 1 . . . . 49 LEU CB . 7013 1 257 . 1 1 49 49 LEU N N 15 119.6 0.25 . 1 . . . . 49 LEU N . 7013 1 258 . 1 1 50 50 ARG H H 1 8.19 0.01 . 1 . . . . 50 ARG HN . 7013 1 259 . 1 1 50 50 ARG C C 13 178.6 0.20 . 1 . . . . 50 ARG C . 7013 1 260 . 1 1 50 50 ARG CA C 13 60.4 0.20 . 1 . . . . 50 ARG CA . 7013 1 261 . 1 1 50 50 ARG CB C 13 28.9 0.20 . 1 . . . . 50 ARG CB . 7013 1 262 . 1 1 50 50 ARG N N 15 118.3 0.25 . 1 . . . . 50 ARG N . 7013 1 263 . 1 1 51 51 GLU H H 1 7.84 0.01 . 1 . . . . 51 GLU HN . 7013 1 264 . 1 1 51 51 GLU C C 13 179.8 0.20 . 1 . . . . 51 GLU C . 7013 1 265 . 1 1 51 51 GLU CA C 13 58.8 0.20 . 1 . . . . 51 GLU CA . 7013 1 266 . 1 1 51 51 GLU CB C 13 28.8 0.20 . 1 . . . . 51 GLU CB . 7013 1 267 . 1 1 51 51 GLU N N 15 116.2 0.25 . 1 . . . . 51 GLU N . 7013 1 268 . 1 1 52 52 ALA H H 1 8.95 0.01 . 1 . . . . 52 ALA HN . 7013 1 269 . 1 1 52 52 ALA HB1 H 1 1.58 0.01 . 1 . . . . 52 ALA HB . 7013 1 270 . 1 1 52 52 ALA HB2 H 1 1.58 0.01 . 1 . . . . 52 ALA HB . 7013 1 271 . 1 1 52 52 ALA HB3 H 1 1.58 0.01 . 1 . . . . 52 ALA HB . 7013 1 272 . 1 1 52 52 ALA C C 13 181.8 0.20 . 1 . . . . 52 ALA C . 7013 1 273 . 1 1 52 52 ALA CA C 13 54.7 0.20 . 1 . . . . 52 ALA CA . 7013 1 274 . 1 1 52 52 ALA CB C 13 18.7 0.20 . 1 . . . . 52 ALA CB . 7013 1 275 . 1 1 52 52 ALA N N 15 122.6 0.25 . 1 . . . . 52 ALA N . 7013 1 276 . 1 1 53 53 GLY H H 1 9.19 0.01 . 1 . . . . 53 GLY HN . 7013 1 277 . 1 1 53 53 GLY C C 13 175.4 0.20 . 1 . . . . 53 GLY C . 7013 1 278 . 1 1 53 53 GLY CA C 13 46.3 0.20 . 1 . . . . 53 GLY CA . 7013 1 279 . 1 1 53 53 GLY N N 15 108.1 0.25 . 1 . . . . 53 GLY N . 7013 1 280 . 1 1 54 54 ASP H H 1 8.26 0.01 . 1 . . . . 54 ASP HN . 7013 1 281 . 1 1 54 54 ASP C C 13 179.1 0.20 . 1 . . . . 54 ASP C . 7013 1 282 . 1 1 54 54 ASP CA C 13 57.2 0.20 . 1 . . . . 54 ASP CA . 7013 1 283 . 1 1 54 54 ASP CB C 13 39.2 0.20 . 1 . . . . 54 ASP CB . 7013 1 284 . 1 1 54 54 ASP N N 15 122.6 0.25 . 1 . . . . 54 ASP N . 7013 1 285 . 1 1 55 55 GLU H H 1 8.31 0.01 . 1 . . . . 55 GLU HN . 7013 1 286 . 1 1 55 55 GLU C C 13 178.5 0.20 . 1 . . . . 55 GLU C . 7013 1 287 . 1 1 55 55 GLU CA C 13 59.2 0.20 . 1 . . . . 55 GLU CA . 7013 1 288 . 1 1 55 55 GLU CB C 13 28.9 0.20 . 1 . . . . 55 GLU CB . 7013 1 289 . 1 1 55 55 GLU N N 15 120.3 0.25 . 1 . . . . 55 GLU N . 7013 1 290 . 1 1 56 56 PHE H H 1 8.62 0.01 . 1 . . . . 56 PHE HN . 7013 1 291 . 1 1 56 56 PHE C C 13 177.2 0.20 . 1 . . . . 56 PHE C . 7013 1 292 . 1 1 56 56 PHE CA C 13 61.6 0.20 . 1 . . . . 56 PHE CA . 7013 1 293 . 1 1 56 56 PHE CB C 13 39.4 0.20 . 1 . . . . 56 PHE CB . 7013 1 294 . 1 1 56 56 PHE N N 15 121.2 0.25 . 1 . . . . 56 PHE N . 7013 1 295 . 1 1 57 57 GLU H H 1 8.24 0.01 . 1 . . . . 57 GLU HN . 7013 1 296 . 1 1 57 57 GLU C C 13 177.7 0.20 . 1 . . . . 57 GLU C . 7013 1 297 . 1 1 57 57 GLU CA C 13 58.2 0.20 . 1 . . . . 57 GLU CA . 7013 1 298 . 1 1 57 57 GLU CB C 13 29.1 0.20 . 1 . . . . 57 GLU CB . 7013 1 299 . 1 1 57 57 GLU N N 15 116.9 0.25 . 1 . . . . 57 GLU N . 7013 1 300 . 1 1 58 58 LEU H H 1 7.56 0.01 . 1 . . . . 58 LEU HN . 7013 1 301 . 1 1 58 58 LEU C C 13 178.8 0.20 . 1 . . . . 58 LEU C . 7013 1 302 . 1 1 58 58 LEU CA C 13 56.6 0.20 . 1 . . . . 58 LEU CA . 7013 1 303 . 1 1 58 58 LEU CB C 13 41.8 0.20 . 1 . . . . 58 LEU CB . 7013 1 304 . 1 1 58 58 LEU N N 15 117.5 0.25 . 1 . . . . 58 LEU N . 7013 1 305 . 1 1 59 59 ARG H H 1 7.79 0.01 . 1 . . . . 59 ARG HN . 7013 1 306 . 1 1 59 59 ARG C C 13 177.2 0.20 . 1 . . . . 59 ARG C . 7013 1 307 . 1 1 59 59 ARG CA C 13 57.5 0.20 . 1 . . . . 59 ARG CA . 7013 1 308 . 1 1 59 59 ARG CB C 13 30.2 0.20 . 1 . . . . 59 ARG CB . 7013 1 309 . 1 1 59 59 ARG N N 15 117.0 0.25 . 1 . . . . 59 ARG N . 7013 1 310 . 1 1 60 60 TYR H H 1 8.07 0.01 . 1 . . . . 60 TYR HN . 7013 1 311 . 1 1 60 60 TYR C C 13 175.0 0.20 . 1 . . . . 60 TYR C . 7013 1 312 . 1 1 60 60 TYR CA C 13 55.9 0.20 . 1 . . . . 60 TYR CA . 7013 1 313 . 1 1 60 60 TYR CB C 13 36.8 0.20 . 1 . . . . 60 TYR CB . 7013 1 314 . 1 1 60 60 TYR N N 15 118.5 0.25 . 1 . . . . 60 TYR N . 7013 1 315 . 1 1 61 61 ARG H H 1 7.59 0.01 . 1 . . . . 61 ARG HN . 7013 1 316 . 1 1 61 61 ARG CA C 13 57.9 0.20 . 1 . . . . 61 ARG CA . 7013 1 317 . 1 1 61 61 ARG CB C 13 29.2 0.20 . 1 . . . . 61 ARG CB . 7013 1 318 . 1 1 61 61 ARG N N 15 120.1 0.25 . 1 . . . . 61 ARG N . 7013 1 319 . 1 1 62 62 ARG C C 13 177.1 0.20 . 1 . . . . 62 ARG C . 7013 1 320 . 1 1 62 62 ARG CA C 13 56.8 0.20 . 1 . . . . 62 ARG CA . 7013 1 321 . 1 1 63 63 ALA H H 1 7.82 0.01 . 1 . . . . 63 ALA HN . 7013 1 322 . 1 1 63 63 ALA C C 13 179.5 0.20 . 1 . . . . 63 ALA C . 7013 1 323 . 1 1 63 63 ALA CA C 13 54.1 0.20 . 1 . . . . 63 ALA CA . 7013 1 324 . 1 1 63 63 ALA CB C 13 17.9 0.20 . 1 . . . . 63 ALA CB . 7013 1 325 . 1 1 63 63 ALA N N 15 121.2 0.25 . 1 . . . . 63 ALA N . 7013 1 326 . 1 1 64 64 PHE H H 1 8.54 0.01 . 1 . . . . 64 PHE HN . 7013 1 327 . 1 1 64 64 PHE C C 13 177.2 0.20 . 1 . . . . 64 PHE C . 7013 1 328 . 1 1 64 64 PHE CA C 13 57.0 0.20 . 1 . . . . 64 PHE CA . 7013 1 329 . 1 1 64 64 PHE CB C 13 38.6 0.20 . 1 . . . . 64 PHE CB . 7013 1 330 . 1 1 64 64 PHE N N 15 114.5 0.25 . 1 . . . . 64 PHE N . 7013 1 331 . 1 1 65 65 SER H H 1 7.99 0.01 . 1 . . . . 65 SER HN . 7013 1 332 . 1 1 65 65 SER CA C 13 61.2 0.20 . 1 . . . . 65 SER CA . 7013 1 333 . 1 1 65 65 SER CB C 13 62.7 0.20 . 1 . . . . 65 SER CB . 7013 1 334 . 1 1 65 65 SER N N 15 116.6 0.25 . 1 . . . . 65 SER N . 7013 1 335 . 1 1 66 66 ASP C C 13 177.6 0.20 . 1 . . . . 66 ASP C . 7013 1 336 . 1 1 66 66 ASP CA C 13 55.8 0.20 . 1 . . . . 66 ASP CA . 7013 1 337 . 1 1 67 67 LEU H H 1 7.85 0.01 . 1 . . . . 67 LEU HN . 7013 1 338 . 1 1 67 67 LEU C C 13 179.1 0.20 . 1 . . . . 67 LEU C . 7013 1 339 . 1 1 67 67 LEU CA C 13 56.9 0.20 . 1 . . . . 67 LEU CA . 7013 1 340 . 1 1 67 67 LEU CB C 13 42.1 0.20 . 1 . . . . 67 LEU CB . 7013 1 341 . 1 1 67 67 LEU N N 15 120.0 0.25 . 1 . . . . 67 LEU N . 7013 1 342 . 1 1 68 68 THR H H 1 8.60 0.01 . 1 . . . . 68 THR HN . 7013 1 343 . 1 1 68 68 THR C C 13 176.9 0.20 . 1 . . . . 68 THR C . 7013 1 344 . 1 1 68 68 THR CA C 13 64.7 0.20 . 1 . . . . 68 THR CA . 7013 1 345 . 1 1 68 68 THR CB C 13 67.7 0.20 . 1 . . . . 68 THR CB . 7013 1 346 . 1 1 68 68 THR N N 15 109.3 0.25 . 1 . . . . 68 THR N . 7013 1 347 . 1 1 69 69 SER H H 1 7.60 0.01 . 1 . . . . 69 SER HN . 7013 1 348 . 1 1 69 69 SER C C 13 175.2 0.20 . 1 . . . . 69 SER C . 7013 1 349 . 1 1 69 69 SER CA C 13 59.7 0.20 . 1 . . . . 69 SER CA . 7013 1 350 . 1 1 69 69 SER CB C 13 63.0 0.20 . 1 . . . . 69 SER CB . 7013 1 351 . 1 1 69 69 SER N N 15 114.4 0.25 . 1 . . . . 69 SER N . 7013 1 352 . 1 1 70 70 GLN H H 1 7.52 0.01 . 1 . . . . 70 GLN HN . 7013 1 353 . 1 1 70 70 GLN C C 13 175.4 0.20 . 1 . . . . 70 GLN C . 7013 1 354 . 1 1 70 70 GLN CA C 13 56.2 0.20 . 1 . . . . 70 GLN CA . 7013 1 355 . 1 1 70 70 GLN CB C 13 30.7 0.20 . 1 . . . . 70 GLN CB . 7013 1 356 . 1 1 70 70 GLN N N 15 117.9 0.25 . 1 . . . . 70 GLN N . 7013 1 357 . 1 1 71 71 LEU H H 1 7.48 0.01 . 1 . . . . 71 LEU HN . 7013 1 358 . 1 1 71 71 LEU C C 13 173.4 0.20 . 1 . . . . 71 LEU C . 7013 1 359 . 1 1 71 71 LEU CA C 13 54.0 0.20 . 1 . . . . 71 LEU CA . 7013 1 360 . 1 1 71 71 LEU CB C 13 42.8 0.20 . 1 . . . . 71 LEU CB . 7013 1 361 . 1 1 71 71 LEU N N 15 120.2 0.25 . 1 . . . . 71 LEU N . 7013 1 362 . 1 1 72 72 HIS H H 1 8.20 0.01 . 1 . . . . 72 HIS HN . 7013 1 363 . 1 1 72 72 HIS C C 13 174.6 0.20 . 1 . . . . 72 HIS C . 7013 1 364 . 1 1 72 72 HIS CA C 13 54.3 0.20 . 1 . . . . 72 HIS CA . 7013 1 365 . 1 1 72 72 HIS CB C 13 29.6 0.20 . 1 . . . . 72 HIS CB . 7013 1 366 . 1 1 72 72 HIS N N 15 121.8 0.25 . 1 . . . . 72 HIS N . 7013 1 367 . 1 1 73 73 ILE H H 1 8.74 0.01 . 1 . . . . 73 ILE HN . 7013 1 368 . 1 1 73 73 ILE C C 13 175.1 0.20 . 1 . . . . 73 ILE C . 7013 1 369 . 1 1 73 73 ILE CA C 13 61.5 0.20 . 1 . . . . 73 ILE CA . 7013 1 370 . 1 1 73 73 ILE CB C 13 36.3 0.20 . 1 . . . . 73 ILE CB . 7013 1 371 . 1 1 73 73 ILE N N 15 124.0 0.25 . 1 . . . . 73 ILE N . 7013 1 372 . 1 1 74 74 THR H H 1 8.76 0.01 . 1 . . . . 74 THR HN . 7013 1 373 . 1 1 74 74 THR CA C 13 59.2 0.20 . 1 . . . . 74 THR CA . 7013 1 374 . 1 1 74 74 THR CB C 13 69.4 0.20 . 1 . . . . 74 THR CB . 7013 1 375 . 1 1 74 74 THR N N 15 119.7 0.25 . 1 . . . . 74 THR N . 7013 1 376 . 1 1 76 76 GLY C C 13 174.8 0.20 . 1 . . . . 76 GLY C . 7013 1 377 . 1 1 76 76 GLY CA C 13 44.3 0.20 . 1 . . . . 76 GLY CA . 7013 1 378 . 1 1 77 77 THR H H 1 7.89 0.01 . 1 . . . . 77 THR HN . 7013 1 379 . 1 1 77 77 THR C C 13 173.0 0.20 . 1 . . . . 77 THR C . 7013 1 380 . 1 1 77 77 THR CA C 13 64.5 0.20 . 1 . . . . 77 THR CA . 7013 1 381 . 1 1 77 77 THR CB C 13 69.1 0.20 . 1 . . . . 77 THR CB . 7013 1 382 . 1 1 77 77 THR N N 15 119.5 0.25 . 1 . . . . 77 THR N . 7013 1 383 . 1 1 78 78 ALA H H 1 8.82 0.01 . 1 . . . . 78 ALA HN . 7013 1 384 . 1 1 78 78 ALA C C 13 177.6 0.20 . 1 . . . . 78 ALA C . 7013 1 385 . 1 1 78 78 ALA CA C 13 50.7 0.20 . 1 . . . . 78 ALA CA . 7013 1 386 . 1 1 78 78 ALA CB C 13 20.4 0.20 . 1 . . . . 78 ALA CB . 7013 1 387 . 1 1 78 78 ALA N N 15 129.7 0.25 . 1 . . . . 78 ALA N . 7013 1 388 . 1 1 79 79 TYR H H 1 8.82 0.01 . 1 . . . . 79 TYR HN . 7013 1 389 . 1 1 79 79 TYR C C 13 176.5 0.20 . 1 . . . . 79 TYR C . 7013 1 390 . 1 1 79 79 TYR CA C 13 60.2 0.20 . 1 . . . . 79 TYR CA . 7013 1 391 . 1 1 79 79 TYR CB C 13 37.9 0.20 . 1 . . . . 79 TYR CB . 7013 1 392 . 1 1 79 79 TYR N N 15 121.6 0.25 . 1 . . . . 79 TYR N . 7013 1 393 . 1 1 80 80 GLN H H 1 8.52 0.01 . 1 . . . . 80 GLN HN . 7013 1 394 . 1 1 80 80 GLN C C 13 178.0 0.20 . 1 . . . . 80 GLN C . 7013 1 395 . 1 1 80 80 GLN CA C 13 59.3 0.20 . 1 . . . . 80 GLN CA . 7013 1 396 . 1 1 80 80 GLN CB C 13 27.1 0.20 . 1 . . . . 80 GLN CB . 7013 1 397 . 1 1 80 80 GLN N N 15 115.0 0.25 . 1 . . . . 80 GLN N . 7013 1 398 . 1 1 81 81 SER H H 1 7.40 0.01 . 1 . . . . 81 SER HN . 7013 1 399 . 1 1 81 81 SER C C 13 175.4 0.20 . 1 . . . . 81 SER C . 7013 1 400 . 1 1 81 81 SER CA C 13 61.5 0.20 . 1 . . . . 81 SER CA . 7013 1 401 . 1 1 81 81 SER N N 15 113.9 0.25 . 1 . . . . 81 SER N . 7013 1 402 . 1 1 82 82 PHE H H 1 6.64 0.01 . 1 . . . . 82 PHE HN . 7013 1 403 . 1 1 82 82 PHE C C 13 175.1 0.20 . 1 . . . . 82 PHE C . 7013 1 404 . 1 1 82 82 PHE CA C 13 60.5 0.20 . 1 . . . . 82 PHE CA . 7013 1 405 . 1 1 82 82 PHE CB C 13 38.3 0.20 . 1 . . . . 82 PHE CB . 7013 1 406 . 1 1 82 82 PHE N N 15 121.9 0.25 . 1 . . . . 82 PHE N . 7013 1 407 . 1 1 83 83 GLU H H 1 8.44 0.01 . 1 . . . . 83 GLU HN . 7013 1 408 . 1 1 83 83 GLU C C 13 176.8 0.20 . 1 . . . . 83 GLU C . 7013 1 409 . 1 1 83 83 GLU CA C 13 58.5 0.20 . 1 . . . . 83 GLU CA . 7013 1 410 . 1 1 83 83 GLU CB C 13 29.5 0.20 . 1 . . . . 83 GLU CB . 7013 1 411 . 1 1 83 83 GLU N N 15 119.7 0.25 . 1 . . . . 83 GLU N . 7013 1 412 . 1 1 84 84 GLN H H 1 7.60 0.01 . 1 . . . . 84 GLN HN . 7013 1 413 . 1 1 84 84 GLN C C 13 178.3 0.20 . 1 . . . . 84 GLN C . 7013 1 414 . 1 1 84 84 GLN CA C 13 58.5 0.20 . 1 . . . . 84 GLN CA . 7013 1 415 . 1 1 84 84 GLN CB C 13 27.9 0.20 . 1 . . . . 84 GLN CB . 7013 1 416 . 1 1 84 84 GLN N N 15 113.7 0.25 . 1 . . . . 84 GLN N . 7013 1 417 . 1 1 85 85 VAL H H 1 6.99 0.01 . 1 . . . . 85 VAL HN . 7013 1 418 . 1 1 85 85 VAL HG11 H 1 0.96 0.01 . 2 . . . . 85 VAL HG1 . 7013 1 419 . 1 1 85 85 VAL HG12 H 1 0.96 0.01 . 2 . . . . 85 VAL HG1 . 7013 1 420 . 1 1 85 85 VAL HG13 H 1 0.96 0.01 . 2 . . . . 85 VAL HG1 . 7013 1 421 . 1 1 85 85 VAL C C 13 177.6 0.20 . 1 . . . . 85 VAL C . 7013 1 422 . 1 1 85 85 VAL CA C 13 65.1 0.20 . 1 . . . . 85 VAL CA . 7013 1 423 . 1 1 85 85 VAL CB C 13 30.9 0.20 . 1 . . . . 85 VAL CB . 7013 1 424 . 1 1 85 85 VAL N N 15 118.0 0.25 . 1 . . . . 85 VAL N . 7013 1 425 . 1 1 86 86 VAL H H 1 7.77 0.01 . 1 . . . . 86 VAL HN . 7013 1 426 . 1 1 86 86 VAL HG11 H 1 -0.16 0.01 . 2 . . . . 86 VAL HG1 . 7013 1 427 . 1 1 86 86 VAL HG12 H 1 -0.16 0.01 . 2 . . . . 86 VAL HG1 . 7013 1 428 . 1 1 86 86 VAL HG13 H 1 -0.16 0.01 . 2 . . . . 86 VAL HG1 . 7013 1 429 . 1 1 86 86 VAL C C 13 178.6 0.20 . 1 . . . . 86 VAL C . 7013 1 430 . 1 1 86 86 VAL CA C 13 65.2 0.20 . 1 . . . . 86 VAL CA . 7013 1 431 . 1 1 86 86 VAL CB C 13 30.1 0.20 . 1 . . . . 86 VAL CB . 7013 1 432 . 1 1 86 86 VAL N N 15 118.6 0.25 . 1 . . . . 86 VAL N . 7013 1 433 . 1 1 87 87 ASN H H 1 8.25 0.01 . 1 . . . . 87 ASN HN . 7013 1 434 . 1 1 87 87 ASN C C 13 178.9 0.20 . 1 . . . . 87 ASN C . 7013 1 435 . 1 1 87 87 ASN CA C 13 55.0 0.20 . 1 . . . . 87 ASN CA . 7013 1 436 . 1 1 87 87 ASN CB C 13 36.6 0.20 . 1 . . . . 87 ASN CB . 7013 1 437 . 1 1 87 87 ASN N N 15 116.9 0.25 . 1 . . . . 87 ASN N . 7013 1 438 . 1 1 88 88 GLU H H 1 7.36 0.01 . 1 . . . . 88 GLU HN . 7013 1 439 . 1 1 88 88 GLU C C 13 179.1 0.20 . 1 . . . . 88 GLU C . 7013 1 440 . 1 1 88 88 GLU CA C 13 58.4 0.20 . 1 . . . . 88 GLU CA . 7013 1 441 . 1 1 88 88 GLU CB C 13 28.3 0.20 . 1 . . . . 88 GLU CB . 7013 1 442 . 1 1 88 88 GLU N N 15 118.1 0.25 . 1 . . . . 88 GLU N . 7013 1 443 . 1 1 89 89 LEU H H 1 7.64 0.01 . 1 . . . . 89 LEU HN . 7013 1 444 . 1 1 89 89 LEU C C 13 178.1 0.20 . 1 . . . . 89 LEU C . 7013 1 445 . 1 1 89 89 LEU CA C 13 56.7 0.20 . 1 . . . . 89 LEU CA . 7013 1 446 . 1 1 89 89 LEU CB C 13 40.5 0.20 . 1 . . . . 89 LEU CB . 7013 1 447 . 1 1 89 89 LEU N N 15 118.7 0.25 . 1 . . . . 89 LEU N . 7013 1 448 . 1 1 90 90 PHE H H 1 7.00 0.01 . 1 . . . . 90 PHE HN . 7013 1 449 . 1 1 90 90 PHE C C 13 176.3 0.20 . 1 . . . . 90 PHE C . 7013 1 450 . 1 1 90 90 PHE CA C 13 57.1 0.20 . 1 . . . . 90 PHE CA . 7013 1 451 . 1 1 90 90 PHE CB C 13 39.1 0.20 . 1 . . . . 90 PHE CB . 7013 1 452 . 1 1 90 90 PHE N N 15 113.2 0.25 . 1 . . . . 90 PHE N . 7013 1 453 . 1 1 91 91 ARG H H 1 7.16 0.01 . 1 . . . . 91 ARG HN . 7013 1 454 . 1 1 91 91 ARG C C 13 177.0 0.20 . 1 . . . . 91 ARG C . 7013 1 455 . 1 1 91 91 ARG CA C 13 59.0 0.20 . 1 . . . . 91 ARG CA . 7013 1 456 . 1 1 91 91 ARG CB C 13 29.1 0.20 . 1 . . . . 91 ARG CB . 7013 1 457 . 1 1 91 91 ARG N N 15 122.9 0.25 . 1 . . . . 91 ARG N . 7013 1 458 . 1 1 92 92 ASP H H 1 8.58 0.01 . 1 . . . . 92 ASP HN . 7013 1 459 . 1 1 92 92 ASP C C 13 175.5 0.20 . 1 . . . . 92 ASP C . 7013 1 460 . 1 1 92 92 ASP CA C 13 53.7 0.20 . 1 . . . . 92 ASP CA . 7013 1 461 . 1 1 92 92 ASP CB C 13 40.2 0.20 . 1 . . . . 92 ASP CB . 7013 1 462 . 1 1 92 92 ASP N N 15 116.2 0.25 . 1 . . . . 92 ASP N . 7013 1 463 . 1 1 93 93 GLY H H 1 7.53 0.01 . 1 . . . . 93 GLY HN . 7013 1 464 . 1 1 93 93 GLY C C 13 172.4 0.20 . 1 . . . . 93 GLY C . 7013 1 465 . 1 1 93 93 GLY CA C 13 43.3 0.20 . 1 . . . . 93 GLY CA . 7013 1 466 . 1 1 93 93 GLY N N 15 108.1 0.25 . 1 . . . . 93 GLY N . 7013 1 467 . 1 1 94 94 VAL H H 1 8.21 0.01 . 1 . . . . 94 VAL HN . 7013 1 468 . 1 1 94 94 VAL HG11 H 1 -0.62 0.01 . 2 . . . . 94 VAL HG1 . 7013 1 469 . 1 1 94 94 VAL HG12 H 1 -0.62 0.01 . 2 . . . . 94 VAL HG1 . 7013 1 470 . 1 1 94 94 VAL HG13 H 1 -0.62 0.01 . 2 . . . . 94 VAL HG1 . 7013 1 471 . 1 1 94 94 VAL C C 13 174.2 0.20 . 1 . . . . 94 VAL C . 7013 1 472 . 1 1 94 94 VAL CA C 13 62.1 0.20 . 1 . . . . 94 VAL CA . 7013 1 473 . 1 1 94 94 VAL CB C 13 31.9 0.20 . 1 . . . . 94 VAL CB . 7013 1 474 . 1 1 94 94 VAL N N 15 119.5 0.25 . 1 . . . . 94 VAL N . 7013 1 475 . 1 1 95 95 ASN H H 1 6.37 0.01 . 1 . . . . 95 ASN HN . 7013 1 476 . 1 1 95 95 ASN C C 13 175.2 0.20 . 1 . . . . 95 ASN C . 7013 1 477 . 1 1 95 95 ASN CA C 13 51.5 0.20 . 1 . . . . 95 ASN CA . 7013 1 478 . 1 1 95 95 ASN CB C 13 39.1 0.20 . 1 . . . . 95 ASN CB . 7013 1 479 . 1 1 95 95 ASN N N 15 115.5 0.25 . 1 . . . . 95 ASN N . 7013 1 480 . 1 1 96 96 TRP H H 1 8.57 0.01 . 1 . . . . 96 TRP HN . 7013 1 481 . 1 1 96 96 TRP HE1 H 1 10.21 0.01 . 1 . . . . 96 TRP HE1 . 7013 1 482 . 1 1 96 96 TRP C C 13 178.3 0.20 . 1 . . . . 96 TRP C . 7013 1 483 . 1 1 96 96 TRP CA C 13 60.7 0.20 . 1 . . . . 96 TRP CA . 7013 1 484 . 1 1 96 96 TRP CB C 13 30.1 0.20 . 1 . . . . 96 TRP CB . 7013 1 485 . 1 1 96 96 TRP N N 15 118.5 0.25 . 1 . . . . 96 TRP N . 7013 1 486 . 1 1 96 96 TRP NE1 N 15 128.3 0.25 . 1 . . . . 96 TRP NE1 . 7013 1 487 . 1 1 97 97 GLY H H 1 8.62 0.01 . 1 . . . . 97 GLY HN . 7013 1 488 . 1 1 97 97 GLY C C 13 177.4 0.20 . 1 . . . . 97 GLY C . 7013 1 489 . 1 1 97 97 GLY CA C 13 46.6 0.20 . 1 . . . . 97 GLY CA . 7013 1 490 . 1 1 97 97 GLY N N 15 106.1 0.25 . 1 . . . . 97 GLY N . 7013 1 491 . 1 1 98 98 ARG H H 1 8.15 0.01 . 1 . . . . 98 ARG HN . 7013 1 492 . 1 1 98 98 ARG C C 13 177.8 0.20 . 1 . . . . 98 ARG C . 7013 1 493 . 1 1 98 98 ARG CA C 13 57.6 0.20 . 1 . . . . 98 ARG CA . 7013 1 494 . 1 1 98 98 ARG CB C 13 30.2 0.20 . 1 . . . . 98 ARG CB . 7013 1 495 . 1 1 98 98 ARG N N 15 121.0 0.25 . 1 . . . . 98 ARG N . 7013 1 496 . 1 1 99 99 ILE H H 1 7.83 0.01 . 1 . . . . 99 ILE HN . 7013 1 497 . 1 1 99 99 ILE CA C 13 66.0 0.20 . 1 . . . . 99 ILE CA . 7013 1 498 . 1 1 99 99 ILE CB C 13 36.2 0.20 . 1 . . . . 99 ILE CB . 7013 1 499 . 1 1 99 99 ILE N N 15 121.1 0.25 . 1 . . . . 99 ILE N . 7013 1 500 . 1 1 100 100 VAL C C 13 177.8 0.20 . 1 . . . . 100 VAL C . 7013 1 501 . 1 1 100 100 VAL CA C 13 67.5 0.20 . 1 . . . . 100 VAL CA . 7013 1 502 . 1 1 101 101 ALA H H 1 7.77 0.01 . 1 . . . . 101 ALA HN . 7013 1 503 . 1 1 101 101 ALA HB1 H 1 1.25 0.01 . 1 . . . . 101 ALA HB . 7013 1 504 . 1 1 101 101 ALA HB2 H 1 1.25 0.01 . 1 . . . . 101 ALA HB . 7013 1 505 . 1 1 101 101 ALA HB3 H 1 1.25 0.01 . 1 . . . . 101 ALA HB . 7013 1 506 . 1 1 101 101 ALA C C 13 178.1 0.20 . 1 . . . . 101 ALA C . 7013 1 507 . 1 1 101 101 ALA CA C 13 54.7 0.20 . 1 . . . . 101 ALA CA . 7013 1 508 . 1 1 101 101 ALA CB C 13 17.8 0.20 . 1 . . . . 101 ALA CB . 7013 1 509 . 1 1 101 101 ALA N N 15 121.2 0.25 . 1 . . . . 101 ALA N . 7013 1 510 . 1 1 102 102 PHE H H 1 8.10 0.01 . 1 . . . . 102 PHE HN . 7013 1 511 . 1 1 102 102 PHE C C 13 176.3 0.20 . 1 . . . . 102 PHE C . 7013 1 512 . 1 1 102 102 PHE CA C 13 60.1 0.20 . 1 . . . . 102 PHE CA . 7013 1 513 . 1 1 102 102 PHE CB C 13 37.9 0.20 . 1 . . . . 102 PHE CB . 7013 1 514 . 1 1 102 102 PHE N N 15 118.8 0.25 . 1 . . . . 102 PHE N . 7013 1 515 . 1 1 103 103 PHE H H 1 8.04 0.01 . 1 . . . . 103 PHE HN . 7013 1 516 . 1 1 103 103 PHE C C 13 177.3 0.20 . 1 . . . . 103 PHE C . 7013 1 517 . 1 1 103 103 PHE CA C 13 62.5 0.20 . 1 . . . . 103 PHE CA . 7013 1 518 . 1 1 103 103 PHE CB C 13 36.2 0.20 . 1 . . . . 103 PHE CB . 7013 1 519 . 1 1 103 103 PHE N N 15 120.2 0.25 . 1 . . . . 103 PHE N . 7013 1 520 . 1 1 104 104 SER H H 1 8.42 0.01 . 1 . . . . 104 SER HN . 7013 1 521 . 1 1 104 104 SER C C 13 177.6 0.20 . 1 . . . . 104 SER C . 7013 1 522 . 1 1 104 104 SER CA C 13 62.6 0.20 . 1 . . . . 104 SER CA . 7013 1 523 . 1 1 104 104 SER N N 15 113.6 0.25 . 1 . . . . 104 SER N . 7013 1 524 . 1 1 105 105 PHE H H 1 9.21 0.01 . 1 . . . . 105 PHE HN . 7013 1 525 . 1 1 105 105 PHE C C 13 176.4 0.20 . 1 . . . . 105 PHE C . 7013 1 526 . 1 1 105 105 PHE CA C 13 60.3 0.20 . 1 . . . . 105 PHE CA . 7013 1 527 . 1 1 105 105 PHE CB C 13 37.6 0.20 . 1 . . . . 105 PHE CB . 7013 1 528 . 1 1 105 105 PHE N N 15 123.7 0.25 . 1 . . . . 105 PHE N . 7013 1 529 . 1 1 106 106 GLY H H 1 8.16 0.01 . 1 . . . . 106 GLY HN . 7013 1 530 . 1 1 106 106 GLY C C 13 175.9 0.20 . 1 . . . . 106 GLY C . 7013 1 531 . 1 1 106 106 GLY CA C 13 47.0 0.20 . 1 . . . . 106 GLY CA . 7013 1 532 . 1 1 106 106 GLY N N 15 106.8 0.25 . 1 . . . . 106 GLY N . 7013 1 533 . 1 1 107 107 GLY H H 1 8.82 0.01 . 1 . . . . 107 GLY HN . 7013 1 534 . 1 1 107 107 GLY C C 13 174.2 0.20 . 1 . . . . 107 GLY C . 7013 1 535 . 1 1 107 107 GLY CA C 13 47.0 0.20 . 1 . . . . 107 GLY CA . 7013 1 536 . 1 1 107 107 GLY N N 15 106.5 0.25 . 1 . . . . 107 GLY N . 7013 1 537 . 1 1 108 108 ALA H H 1 8.30 0.01 . 1 . . . . 108 ALA HN . 7013 1 538 . 1 1 108 108 ALA HB1 H 1 1.55 0.01 . 1 . . . . 108 ALA HB . 7013 1 539 . 1 1 108 108 ALA HB2 H 1 1.55 0.01 . 1 . . . . 108 ALA HB . 7013 1 540 . 1 1 108 108 ALA HB3 H 1 1.55 0.01 . 1 . . . . 108 ALA HB . 7013 1 541 . 1 1 108 108 ALA C C 13 180.1 0.20 . 1 . . . . 108 ALA C . 7013 1 542 . 1 1 108 108 ALA CA C 13 54.7 0.20 . 1 . . . . 108 ALA CA . 7013 1 543 . 1 1 108 108 ALA CB C 13 17.8 0.20 . 1 . . . . 108 ALA CB . 7013 1 544 . 1 1 108 108 ALA N N 15 124.9 0.25 . 1 . . . . 108 ALA N . 7013 1 545 . 1 1 109 109 LEU H H 1 8.58 0.01 . 1 . . . . 109 LEU HN . 7013 1 546 . 1 1 109 109 LEU C C 13 179.7 0.20 . 1 . . . . 109 LEU C . 7013 1 547 . 1 1 109 109 LEU CA C 13 56.9 0.20 . 1 . . . . 109 LEU CA . 7013 1 548 . 1 1 109 109 LEU CB C 13 41.1 0.20 . 1 . . . . 109 LEU CB . 7013 1 549 . 1 1 109 109 LEU N N 15 118.5 0.25 . 1 . . . . 109 LEU N . 7013 1 550 . 1 1 110 110 CYS H H 1 8.42 0.01 . 1 . . . . 110 CYS HN . 7013 1 551 . 1 1 110 110 CYS C C 13 175.3 0.20 . 1 . . . . 110 CYS C . 7013 1 552 . 1 1 110 110 CYS CA C 13 62.8 0.20 . 1 . . . . 110 CYS CA . 7013 1 553 . 1 1 110 110 CYS CB C 13 27.0 0.20 . 1 . . . . 110 CYS CB . 7013 1 554 . 1 1 110 110 CYS N N 15 119.0 0.25 . 1 . . . . 110 CYS N . 7013 1 555 . 1 1 111 111 VAL H H 1 8.32 0.01 . 1 . . . . 111 VAL HN . 7013 1 556 . 1 1 111 111 VAL HG11 H 1 0.98 0.01 . 2 . . . . 111 VAL HG1 . 7013 1 557 . 1 1 111 111 VAL HG12 H 1 0.98 0.01 . 2 . . . . 111 VAL HG1 . 7013 1 558 . 1 1 111 111 VAL HG13 H 1 0.98 0.01 . 2 . . . . 111 VAL HG1 . 7013 1 559 . 1 1 111 111 VAL C C 13 177.3 0.20 . 1 . . . . 111 VAL C . 7013 1 560 . 1 1 111 111 VAL CA C 13 66.3 0.20 . 1 . . . . 111 VAL CA . 7013 1 561 . 1 1 111 111 VAL CB C 13 31.0 0.20 . 1 . . . . 111 VAL CB . 7013 1 562 . 1 1 111 111 VAL N N 15 116.5 0.25 . 1 . . . . 111 VAL N . 7013 1 563 . 1 1 112 112 GLU H H 1 8.31 0.01 . 1 . . . . 112 GLU HN . 7013 1 564 . 1 1 112 112 GLU C C 13 179.4 0.20 . 1 . . . . 112 GLU C . 7013 1 565 . 1 1 112 112 GLU CA C 13 58.8 0.20 . 1 . . . . 112 GLU CA . 7013 1 566 . 1 1 112 112 GLU CB C 13 29.0 0.20 . 1 . . . . 112 GLU CB . 7013 1 567 . 1 1 112 112 GLU N N 15 117.1 0.25 . 1 . . . . 112 GLU N . 7013 1 568 . 1 1 113 113 SER H H 1 7.99 0.01 . 1 . . . . 113 SER HN . 7013 1 569 . 1 1 113 113 SER C C 13 177.8 0.20 . 1 . . . . 113 SER C . 7013 1 570 . 1 1 113 113 SER CA C 13 62.1 0.20 . 1 . . . . 113 SER CA . 7013 1 571 . 1 1 113 113 SER N N 15 113.9 0.25 . 1 . . . . 113 SER N . 7013 1 572 . 1 1 114 114 VAL H H 1 8.25 0.01 . 1 . . . . 114 VAL HN . 7013 1 573 . 1 1 114 114 VAL C C 13 176.9 0.20 . 1 . . . . 114 VAL C . 7013 1 574 . 1 1 114 114 VAL CA C 13 66.0 0.20 . 1 . . . . 114 VAL CA . 7013 1 575 . 1 1 114 114 VAL CB C 13 30.2 0.20 . 1 . . . . 114 VAL CB . 7013 1 576 . 1 1 114 114 VAL N N 15 116.9 0.25 . 1 . . . . 114 VAL N . 7013 1 577 . 1 1 115 115 ASP H H 1 8.20 0.01 . 1 . . . . 115 ASP HN . 7013 1 578 . 1 1 115 115 ASP C C 13 179.0 0.20 . 1 . . . . 115 ASP C . 7013 1 579 . 1 1 115 115 ASP CA C 13 57.5 0.20 . 1 . . . . 115 ASP CA . 7013 1 580 . 1 1 115 115 ASP CB C 13 40.8 0.20 . 1 . . . . 115 ASP CB . 7013 1 581 . 1 1 115 115 ASP N N 15 118.4 0.25 . 1 . . . . 115 ASP N . 7013 1 582 . 1 1 116 116 LYS H H 1 7.88 0.01 . 1 . . . . 116 LYS HN . 7013 1 583 . 1 1 116 116 LYS C C 13 179.3 0.20 . 1 . . . . 116 LYS C . 7013 1 584 . 1 1 116 116 LYS CA C 13 58.9 0.20 . 1 . . . . 116 LYS CA . 7013 1 585 . 1 1 116 116 LYS CB C 13 31.8 0.20 . 1 . . . . 116 LYS CB . 7013 1 586 . 1 1 116 116 LYS N N 15 116.7 0.25 . 1 . . . . 116 LYS N . 7013 1 587 . 1 1 117 117 GLU H H 1 8.23 0.01 . 1 . . . . 117 GLU HN . 7013 1 588 . 1 1 117 117 GLU C C 13 179.6 0.20 . 1 . . . . 117 GLU C . 7013 1 589 . 1 1 117 117 GLU CA C 13 58.0 0.20 . 1 . . . . 117 GLU CA . 7013 1 590 . 1 1 117 117 GLU CB C 13 28.1 0.20 . 1 . . . . 117 GLU CB . 7013 1 591 . 1 1 117 117 GLU N N 15 117.9 0.25 . 1 . . . . 117 GLU N . 7013 1 592 . 1 1 118 118 MET H H 1 8.84 0.01 . 1 . . . . 118 MET HN . 7013 1 593 . 1 1 118 118 MET C C 13 177.8 0.20 . 1 . . . . 118 MET C . 7013 1 594 . 1 1 118 118 MET CA C 13 58.4 0.20 . 1 . . . . 118 MET CA . 7013 1 595 . 1 1 118 118 MET CB C 13 31.1 0.20 . 1 . . . . 118 MET CB . 7013 1 596 . 1 1 118 118 MET N N 15 119.0 0.25 . 1 . . . . 118 MET N . 7013 1 597 . 1 1 119 119 GLN H H 1 7.58 0.01 . 1 . . . . 119 GLN HN . 7013 1 598 . 1 1 119 119 GLN C C 13 179.2 0.20 . 1 . . . . 119 GLN C . 7013 1 599 . 1 1 119 119 GLN CA C 13 59.0 0.20 . 1 . . . . 119 GLN CA . 7013 1 600 . 1 1 119 119 GLN CB C 13 27.4 0.20 . 1 . . . . 119 GLN CB . 7013 1 601 . 1 1 119 119 GLN N N 15 116.0 0.25 . 1 . . . . 119 GLN N . 7013 1 602 . 1 1 120 120 VAL H H 1 7.51 0.01 . 1 . . . . 120 VAL HN . 7013 1 603 . 1 1 120 120 VAL HG11 H 1 1.02 0.01 . 2 . . . . 120 VAL HG1 . 7013 1 604 . 1 1 120 120 VAL HG12 H 1 1.02 0.01 . 2 . . . . 120 VAL HG1 . 7013 1 605 . 1 1 120 120 VAL HG13 H 1 1.02 0.01 . 2 . . . . 120 VAL HG1 . 7013 1 606 . 1 1 120 120 VAL C C 13 178.2 0.20 . 1 . . . . 120 VAL C . 7013 1 607 . 1 1 120 120 VAL CA C 13 65.5 0.20 . 1 . . . . 120 VAL CA . 7013 1 608 . 1 1 120 120 VAL CB C 13 31.2 0.20 . 1 . . . . 120 VAL CB . 7013 1 609 . 1 1 120 120 VAL N N 15 119.0 0.25 . 1 . . . . 120 VAL N . 7013 1 610 . 1 1 121 121 LEU H H 1 7.93 0.01 . 1 . . . . 121 LEU HN . 7013 1 611 . 1 1 121 121 LEU C C 13 177.8 0.20 . 1 . . . . 121 LEU C . 7013 1 612 . 1 1 121 121 LEU CA C 13 58.0 0.20 . 1 . . . . 121 LEU CA . 7013 1 613 . 1 1 121 121 LEU CB C 13 41.7 0.20 . 1 . . . . 121 LEU CB . 7013 1 614 . 1 1 121 121 LEU N N 15 121.1 0.25 . 1 . . . . 121 LEU N . 7013 1 615 . 1 1 122 122 VAL H H 1 8.25 0.01 . 1 . . . . 122 VAL HN . 7013 1 616 . 1 1 122 122 VAL C C 13 177.6 0.20 . 1 . . . . 122 VAL C . 7013 1 617 . 1 1 122 122 VAL CA C 13 66.0 0.20 . 1 . . . . 122 VAL CA . 7013 1 618 . 1 1 122 122 VAL CB C 13 30.5 0.20 . 1 . . . . 122 VAL CB . 7013 1 619 . 1 1 122 122 VAL N N 15 116.8 0.25 . 1 . . . . 122 VAL N . 7013 1 620 . 1 1 123 123 SER H H 1 7.59 0.01 . 1 . . . . 123 SER HN . 7013 1 621 . 1 1 123 123 SER C C 13 176.7 0.20 . 1 . . . . 123 SER C . 7013 1 622 . 1 1 123 123 SER CA C 13 61.7 0.20 . 1 . . . . 123 SER CA . 7013 1 623 . 1 1 123 123 SER N N 15 112.4 0.25 . 1 . . . . 123 SER N . 7013 1 624 . 1 1 124 124 ARG H H 1 7.68 0.01 . 1 . . . . 124 ARG HN . 7013 1 625 . 1 1 124 124 ARG C C 13 177.0 0.20 . 1 . . . . 124 ARG C . 7013 1 626 . 1 1 124 124 ARG CA C 13 58.7 0.20 . 1 . . . . 124 ARG CA . 7013 1 627 . 1 1 124 124 ARG CB C 13 29.1 0.20 . 1 . . . . 124 ARG CB . 7013 1 628 . 1 1 124 124 ARG N N 15 122.6 0.25 . 1 . . . . 124 ARG N . 7013 1 629 . 1 1 125 125 ILE H H 1 7.29 0.01 . 1 . . . . 125 ILE HN . 7013 1 630 . 1 1 125 125 ILE C C 13 177.7 0.20 . 1 . . . . 125 ILE C . 7013 1 631 . 1 1 125 125 ILE CA C 13 64.0 0.20 . 1 . . . . 125 ILE CA . 7013 1 632 . 1 1 125 125 ILE CB C 13 36.4 0.20 . 1 . . . . 125 ILE CB . 7013 1 633 . 1 1 125 125 ILE N N 15 117.4 0.25 . 1 . . . . 125 ILE N . 7013 1 634 . 1 1 126 126 ALA H H 1 8.71 0.01 . 1 . . . . 126 ALA HN . 7013 1 635 . 1 1 126 126 ALA HB1 H 1 1.30 0.01 . 1 . . . . 126 ALA HB . 7013 1 636 . 1 1 126 126 ALA HB2 H 1 1.30 0.01 . 1 . . . . 126 ALA HB . 7013 1 637 . 1 1 126 126 ALA HB3 H 1 1.30 0.01 . 1 . . . . 126 ALA HB . 7013 1 638 . 1 1 126 126 ALA C C 13 179.8 0.20 . 1 . . . . 126 ALA C . 7013 1 639 . 1 1 126 126 ALA CA C 13 54.7 0.20 . 1 . . . . 126 ALA CA . 7013 1 640 . 1 1 126 126 ALA CB C 13 17.6 0.20 . 1 . . . . 126 ALA CB . 7013 1 641 . 1 1 126 126 ALA N N 15 120.8 0.25 . 1 . . . . 126 ALA N . 7013 1 642 . 1 1 127 127 SER H H 1 7.92 0.01 . 1 . . . . 127 SER HN . 7013 1 643 . 1 1 127 127 SER C C 13 177.6 0.20 . 1 . . . . 127 SER C . 7013 1 644 . 1 1 127 127 SER CA C 13 61.3 0.20 . 1 . . . . 127 SER CA . 7013 1 645 . 1 1 127 127 SER CB C 13 62.3 0.20 . 1 . . . . 127 SER CB . 7013 1 646 . 1 1 127 127 SER N N 15 113.3 0.25 . 1 . . . . 127 SER N . 7013 1 647 . 1 1 128 128 TRP H H 1 8.36 0.01 . 1 . . . . 128 TRP HN . 7013 1 648 . 1 1 128 128 TRP HE1 H 1 10.15 0.01 . 1 . . . . 128 TRP HE1 . 7013 1 649 . 1 1 128 128 TRP C C 13 178.8 0.20 . 1 . . . . 128 TRP C . 7013 1 650 . 1 1 128 128 TRP CA C 13 57.8 0.20 . 1 . . . . 128 TRP CA . 7013 1 651 . 1 1 128 128 TRP CB C 13 27.7 0.20 . 1 . . . . 128 TRP CB . 7013 1 652 . 1 1 128 128 TRP N N 15 124.2 0.25 . 1 . . . . 128 TRP N . 7013 1 653 . 1 1 128 128 TRP NE1 N 15 126.3 0.25 . 1 . . . . 128 TRP NE1 . 7013 1 654 . 1 1 129 129 MET H H 1 8.83 0.01 . 1 . . . . 129 MET HN . 7013 1 655 . 1 1 129 129 MET C C 13 178.1 0.20 . 1 . . . . 129 MET C . 7013 1 656 . 1 1 129 129 MET CA C 13 59.8 0.20 . 1 . . . . 129 MET CA . 7013 1 657 . 1 1 129 129 MET CB C 13 33.9 0.20 . 1 . . . . 129 MET CB . 7013 1 658 . 1 1 129 129 MET N N 15 116.7 0.25 . 1 . . . . 129 MET N . 7013 1 659 . 1 1 130 130 ALA H H 1 8.78 0.01 . 1 . . . . 130 ALA HN . 7013 1 660 . 1 1 130 130 ALA HB1 H 1 1.55 0.01 . 1 . . . . 130 ALA HB . 7013 1 661 . 1 1 130 130 ALA HB2 H 1 1.55 0.01 . 1 . . . . 130 ALA HB . 7013 1 662 . 1 1 130 130 ALA HB3 H 1 1.55 0.01 . 1 . . . . 130 ALA HB . 7013 1 663 . 1 1 130 130 ALA C C 13 179.1 0.20 . 1 . . . . 130 ALA C . 7013 1 664 . 1 1 130 130 ALA CA C 13 55.6 0.20 . 1 . . . . 130 ALA CA . 7013 1 665 . 1 1 130 130 ALA CB C 13 17.0 0.20 . 1 . . . . 130 ALA CB . 7013 1 666 . 1 1 130 130 ALA N N 15 120.3 0.25 . 1 . . . . 130 ALA N . 7013 1 667 . 1 1 131 131 THR H H 1 8.54 0.01 . 1 . . . . 131 THR HN . 7013 1 668 . 1 1 131 131 THR C C 13 174.8 0.20 . 1 . . . . 131 THR C . 7013 1 669 . 1 1 131 131 THR CA C 13 66.6 0.20 . 1 . . . . 131 THR CA . 7013 1 670 . 1 1 131 131 THR CB C 13 68.5 0.20 . 1 . . . . 131 THR CB . 7013 1 671 . 1 1 131 131 THR N N 15 116.7 0.25 . 1 . . . . 131 THR N . 7013 1 672 . 1 1 132 132 TYR H H 1 8.67 0.01 . 1 . . . . 132 TYR HN . 7013 1 673 . 1 1 132 132 TYR C C 13 179.2 0.20 . 1 . . . . 132 TYR C . 7013 1 674 . 1 1 132 132 TYR CA C 13 62.8 0.20 . 1 . . . . 132 TYR CA . 7013 1 675 . 1 1 132 132 TYR CB C 13 39.0 0.20 . 1 . . . . 132 TYR CB . 7013 1 676 . 1 1 132 132 TYR N N 15 123.1 0.25 . 1 . . . . 132 TYR N . 7013 1 677 . 1 1 133 133 LEU H H 1 8.78 0.01 . 1 . . . . 133 LEU HN . 7013 1 678 . 1 1 133 133 LEU C C 13 178.4 0.20 . 1 . . . . 133 LEU C . 7013 1 679 . 1 1 133 133 LEU CA C 13 58.7 0.20 . 1 . . . . 133 LEU CA . 7013 1 680 . 1 1 133 133 LEU CB C 13 41.8 0.20 . 1 . . . . 133 LEU CB . 7013 1 681 . 1 1 133 133 LEU N N 15 119.1 0.25 . 1 . . . . 133 LEU N . 7013 1 682 . 1 1 134 134 ASN H H 1 8.55 0.01 . 1 . . . . 134 ASN HN . 7013 1 683 . 1 1 134 134 ASN C C 13 176.2 0.20 . 1 . . . . 134 ASN C . 7013 1 684 . 1 1 134 134 ASN CA C 13 56.4 0.20 . 1 . . . . 134 ASN CA . 7013 1 685 . 1 1 134 134 ASN CB C 13 38.5 0.20 . 1 . . . . 134 ASN CB . 7013 1 686 . 1 1 134 134 ASN N N 15 117.6 0.25 . 1 . . . . 134 ASN N . 7013 1 687 . 1 1 135 135 ASP H H 1 8.50 0.01 . 1 . . . . 135 ASP HN . 7013 1 688 . 1 1 135 135 ASP C C 13 177.8 0.20 . 1 . . . . 135 ASP C . 7013 1 689 . 1 1 135 135 ASP CA C 13 56.1 0.20 . 1 . . . . 135 ASP CA . 7013 1 690 . 1 1 135 135 ASP CB C 13 40.3 0.20 . 1 . . . . 135 ASP CB . 7013 1 691 . 1 1 135 135 ASP N N 15 115.7 0.25 . 1 . . . . 135 ASP N . 7013 1 692 . 1 1 136 136 HIS H H 1 8.16 0.01 . 1 . . . . 136 HIS HN . 7013 1 693 . 1 1 136 136 HIS C C 13 175.7 0.20 . 1 . . . . 136 HIS C . 7013 1 694 . 1 1 136 136 HIS CA C 13 56.2 0.20 . 1 . . . . 136 HIS CA . 7013 1 695 . 1 1 136 136 HIS CB C 13 30.3 0.20 . 1 . . . . 136 HIS CB . 7013 1 696 . 1 1 136 136 HIS N N 15 111.4 0.25 . 1 . . . . 136 HIS N . 7013 1 697 . 1 1 137 137 LEU H H 1 7.33 0.01 . 1 . . . . 137 LEU HN . 7013 1 698 . 1 1 137 137 LEU C C 13 176.3 0.20 . 1 . . . . 137 LEU C . 7013 1 699 . 1 1 137 137 LEU CA C 13 55.3 0.20 . 1 . . . . 137 LEU CA . 7013 1 700 . 1 1 137 137 LEU CB C 13 42.2 0.20 . 1 . . . . 137 LEU CB . 7013 1 701 . 1 1 137 137 LEU N N 15 116.9 0.25 . 1 . . . . 137 LEU N . 7013 1 702 . 1 1 138 138 GLU H H 1 8.70 0.01 . 1 . . . . 138 GLU HN . 7013 1 703 . 1 1 138 138 GLU CA C 13 60.1 0.20 . 1 . . . . 138 GLU CA . 7013 1 704 . 1 1 138 138 GLU CB C 13 27.0 0.20 . 1 . . . . 138 GLU CB . 7013 1 705 . 1 1 138 138 GLU N N 15 121.5 0.25 . 1 . . . . 138 GLU N . 7013 1 706 . 1 1 139 139 PRO C C 13 179.1 0.20 . 1 . . . . 139 PRO C . 7013 1 707 . 1 1 139 139 PRO CA C 13 65.8 0.20 . 1 . . . . 139 PRO CA . 7013 1 708 . 1 1 140 140 TRP H H 1 7.16 0.01 . 1 . . . . 140 TRP HN . 7013 1 709 . 1 1 140 140 TRP HE1 H 1 9.52 0.01 . 1 . . . . 140 TRP HE1 . 7013 1 710 . 1 1 140 140 TRP C C 13 179.3 0.20 . 1 . . . . 140 TRP C . 7013 1 711 . 1 1 140 140 TRP CA C 13 61.6 0.20 . 1 . . . . 140 TRP CA . 7013 1 712 . 1 1 140 140 TRP CB C 13 29.5 0.20 . 1 . . . . 140 TRP CB . 7013 1 713 . 1 1 140 140 TRP N N 15 117.9 0.25 . 1 . . . . 140 TRP N . 7013 1 714 . 1 1 140 140 TRP NE1 N 15 129.0 0.25 . 1 . . . . 140 TRP NE1 . 7013 1 715 . 1 1 141 141 ILE H H 1 8.49 0.01 . 1 . . . . 141 ILE HN . 7013 1 716 . 1 1 141 141 ILE C C 13 179.0 0.20 . 1 . . . . 141 ILE C . 7013 1 717 . 1 1 141 141 ILE CA C 13 65.6 0.20 . 1 . . . . 141 ILE CA . 7013 1 718 . 1 1 141 141 ILE CB C 13 37.6 0.20 . 1 . . . . 141 ILE CB . 7013 1 719 . 1 1 141 141 ILE N N 15 122.2 0.25 . 1 . . . . 141 ILE N . 7013 1 720 . 1 1 142 142 GLN H H 1 8.52 0.01 . 1 . . . . 142 GLN HN . 7013 1 721 . 1 1 142 142 GLN C C 13 179.4 0.20 . 1 . . . . 142 GLN C . 7013 1 722 . 1 1 142 142 GLN CA C 13 57.9 0.20 . 1 . . . . 142 GLN CA . 7013 1 723 . 1 1 142 142 GLN CB C 13 27.4 0.20 . 1 . . . . 142 GLN CB . 7013 1 724 . 1 1 142 142 GLN N N 15 116.4 0.25 . 1 . . . . 142 GLN N . 7013 1 725 . 1 1 143 143 GLU H H 1 7.60 0.01 . 1 . . . . 143 GLU HN . 7013 1 726 . 1 1 143 143 GLU C C 13 176.7 0.20 . 1 . . . . 143 GLU C . 7013 1 727 . 1 1 143 143 GLU CA C 13 57.5 0.20 . 1 . . . . 143 GLU CA . 7013 1 728 . 1 1 143 143 GLU CB C 13 29.1 0.20 . 1 . . . . 143 GLU CB . 7013 1 729 . 1 1 143 143 GLU N N 15 119.0 0.25 . 1 . . . . 143 GLU N . 7013 1 730 . 1 1 144 144 ASN H H 1 7.19 0.01 . 1 . . . . 144 ASN HN . 7013 1 731 . 1 1 144 144 ASN C C 13 173.9 0.20 . 1 . . . . 144 ASN C . 7013 1 732 . 1 1 144 144 ASN CA C 13 53.4 0.20 . 1 . . . . 144 ASN CA . 7013 1 733 . 1 1 144 144 ASN CB C 13 38.0 0.20 . 1 . . . . 144 ASN CB . 7013 1 734 . 1 1 144 144 ASN N N 15 116.4 0.25 . 1 . . . . 144 ASN N . 7013 1 735 . 1 1 145 145 GLY H H 1 7.42 0.01 . 1 . . . . 145 GLY HN . 7013 1 736 . 1 1 145 145 GLY C C 13 175.8 0.20 . 1 . . . . 145 GLY C . 7013 1 737 . 1 1 145 145 GLY CA C 13 45.2 0.20 . 1 . . . . 145 GLY CA . 7013 1 738 . 1 1 145 145 GLY N N 15 104.8 0.25 . 1 . . . . 145 GLY N . 7013 1 739 . 1 1 146 146 GLY H H 1 8.58 0.01 . 1 . . . . 146 GLY HN . 7013 1 740 . 1 1 146 146 GLY C C 13 173.2 0.20 . 1 . . . . 146 GLY C . 7013 1 741 . 1 1 146 146 GLY CA C 13 43.8 0.20 . 1 . . . . 146 GLY CA . 7013 1 742 . 1 1 146 146 GLY N N 15 108.3 0.25 . 1 . . . . 146 GLY N . 7013 1 743 . 1 1 147 147 TRP H H 1 8.66 0.01 . 1 . . . . 147 TRP HN . 7013 1 744 . 1 1 147 147 TRP HE1 H 1 10.53 0.01 . 1 . . . . 147 TRP HE1 . 7013 1 745 . 1 1 147 147 TRP C C 13 178.4 0.20 . 1 . . . . 147 TRP C . 7013 1 746 . 1 1 147 147 TRP CA C 13 60.1 0.20 . 1 . . . . 147 TRP CA . 7013 1 747 . 1 1 147 147 TRP CB C 13 29.4 0.20 . 1 . . . . 147 TRP CB . 7013 1 748 . 1 1 147 147 TRP N N 15 117.9 0.25 . 1 . . . . 147 TRP N . 7013 1 749 . 1 1 147 147 TRP NE1 N 15 128.7 0.25 . 1 . . . . 147 TRP NE1 . 7013 1 750 . 1 1 148 148 ASP H H 1 8.84 0.01 . 1 . . . . 148 ASP HN . 7013 1 751 . 1 1 148 148 ASP C C 13 179.0 0.20 . 1 . . . . 148 ASP C . 7013 1 752 . 1 1 148 148 ASP CA C 13 57.3 0.20 . 1 . . . . 148 ASP CA . 7013 1 753 . 1 1 148 148 ASP CB C 13 40.0 0.20 . 1 . . . . 148 ASP CB . 7013 1 754 . 1 1 148 148 ASP N N 15 117.3 0.25 . 1 . . . . 148 ASP N . 7013 1 755 . 1 1 149 149 THR H H 1 7.50 0.01 . 1 . . . . 149 THR HN . 7013 1 756 . 1 1 149 149 THR C C 13 175.3 0.20 . 1 . . . . 149 THR C . 7013 1 757 . 1 1 149 149 THR CA C 13 65.7 0.20 . 1 . . . . 149 THR CA . 7013 1 758 . 1 1 149 149 THR CB C 13 67.7 0.20 . 1 . . . . 149 THR CB . 7013 1 759 . 1 1 149 149 THR N N 15 115.6 0.25 . 1 . . . . 149 THR N . 7013 1 760 . 1 1 150 150 PHE H H 1 6.64 0.01 . 1 . . . . 150 PHE HN . 7013 1 761 . 1 1 150 150 PHE C C 13 176.5 0.20 . 1 . . . . 150 PHE C . 7013 1 762 . 1 1 150 150 PHE CA C 13 61.1 0.20 . 1 . . . . 150 PHE CA . 7013 1 763 . 1 1 150 150 PHE CB C 13 37.5 0.20 . 1 . . . . 150 PHE CB . 7013 1 764 . 1 1 150 150 PHE N N 15 121.8 0.25 . 1 . . . . 150 PHE N . 7013 1 765 . 1 1 151 151 VAL H H 1 7.85 0.01 . 1 . . . . 151 VAL HN . 7013 1 766 . 1 1 151 151 VAL HG11 H 1 1.08 0.01 . 2 . . . . 151 VAL HG1 . 7013 1 767 . 1 1 151 151 VAL HG12 H 1 1.08 0.01 . 2 . . . . 151 VAL HG1 . 7013 1 768 . 1 1 151 151 VAL HG13 H 1 1.08 0.01 . 2 . . . . 151 VAL HG1 . 7013 1 769 . 1 1 151 151 VAL C C 13 178.3 0.20 . 1 . . . . 151 VAL C . 7013 1 770 . 1 1 151 151 VAL CA C 13 66.0 0.20 . 1 . . . . 151 VAL CA . 7013 1 771 . 1 1 151 151 VAL CB C 13 31.1 0.20 . 1 . . . . 151 VAL CB . 7013 1 772 . 1 1 151 151 VAL N N 15 117.4 0.25 . 1 . . . . 151 VAL N . 7013 1 773 . 1 1 152 152 ASP H H 1 7.55 0.01 . 1 . . . . 152 ASP HN . 7013 1 774 . 1 1 152 152 ASP C C 13 178.0 0.20 . 1 . . . . 152 ASP C . 7013 1 775 . 1 1 152 152 ASP CA C 13 56.9 0.20 . 1 . . . . 152 ASP CA . 7013 1 776 . 1 1 152 152 ASP CB C 13 40.5 0.20 . 1 . . . . 152 ASP CB . 7013 1 777 . 1 1 152 152 ASP N N 15 119.6 0.25 . 1 . . . . 152 ASP N . 7013 1 778 . 1 1 153 153 LEU H H 1 7.80 0.01 . 1 . . . . 153 LEU HN . 7013 1 779 . 1 1 153 153 LEU C C 13 178.6 0.20 . 1 . . . . 153 LEU C . 7013 1 780 . 1 1 153 153 LEU CA C 13 56.7 0.20 . 1 . . . . 153 LEU CA . 7013 1 781 . 1 1 153 153 LEU CB C 13 42.3 0.20 . 1 . . . . 153 LEU CB . 7013 1 782 . 1 1 153 153 LEU N N 15 118.0 0.25 . 1 . . . . 153 LEU N . 7013 1 783 . 1 1 154 154 TYR H H 1 8.24 0.01 . 1 . . . . 154 TYR HN . 7013 1 784 . 1 1 154 154 TYR C C 13 177.2 0.20 . 1 . . . . 154 TYR C . 7013 1 785 . 1 1 154 154 TYR CA C 13 59.8 0.20 . 1 . . . . 154 TYR CA . 7013 1 786 . 1 1 154 154 TYR CB C 13 39.3 0.20 . 1 . . . . 154 TYR CB . 7013 1 787 . 1 1 154 154 TYR N N 15 117.1 0.25 . 1 . . . . 154 TYR N . 7013 1 788 . 1 1 155 155 GLY H H 1 8.12 0.01 . 1 . . . . 155 GLY HN . 7013 1 789 . 1 1 155 155 GLY C C 13 174.4 0.20 . 1 . . . . 155 GLY C . 7013 1 790 . 1 1 155 155 GLY CA C 13 45.5 0.20 . 1 . . . . 155 GLY CA . 7013 1 791 . 1 1 155 155 GLY N N 15 107.8 0.25 . 1 . . . . 155 GLY N . 7013 1 stop_ save_