data_7008 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7008 _Entry.Title ; Second Ca2+ binding domain of the Na,Ca-exchanger (NCX1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-28 _Entry.Accession_date 2006-02-28 _Entry.Last_release_date 2006-04-11 _Entry.Original_release_date 2006-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 M. Hilge . . . 7008 2 G. Vuister . W. . 7008 3 J. Aelen . . . 7008 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7008 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 7008 '15N chemical shifts' 148 7008 '1H chemical shifts' 1044 7008 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 . . 2006-04-11 2006-02-28 original author . 7008 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7009 'Ca-exchanger (NCX1)' 7008 PDB 2FWU 'BMRB Entry Tracking System' 7008 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7008 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16600866 _Citation.Full_citation . _Citation.Title ; Ca(2+) regulation in the na(+)/ca(2+) exchanger involves two markedly different ca(2+) sensors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell.' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 1 _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 15 _Citation.Page_last 25 _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 M. Hilge . . . 7008 1 2 J. Aelen . . . 7008 1 3 G. Vuister . W. . 7008 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID beta-bulge 7008 1 beta-sandwich 7008 1 'Ca2+ binding' 7008 1 'greek key' 7008 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7008 _Assembly.ID 1 _Assembly.Name 'Sodium/calcium exchanger 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _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 monomer 7008 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 'Sodium/calcium exchanger 1' 1 $exchanger_1 . . . native . . . . . 7008 1 2 'CALCIUM (II) ION' 2 $CA . . . native . . . . . 7008 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 yes PDB 2FWU . . . . . . 7008 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Sodium/calcium exchanger 1' abbreviation 7008 1 'Sodium/calcium exchanger 1' system 7008 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_exchanger_1 _Entity.Sf_category entity _Entity.Sf_framecode exchanger_1 _Entity.Entry_ID 7008 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sodium/calcium exchanger 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSHHHHHHHAGIFTFEEPVT HVSESIGIMEVKVLRTSGAR GNVIVPYKTIEGTARGGGED FEDTCGELEFQNDEIVKTIS VKVIDDEEYEKNKTFFLEIG EPRLVEMSEKKGGFTITEEY DDKQPLTSKEEEERRIAEMG RPILGEHTKLEVIIEESYEF KSTVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2FWU . "Second Ca2+ Binding Domain Of The Na,Ca-Exchanger (Ncx1)" . . . . . 95.15 157 100.00 100.00 3.31e-105 . . . . 7008 1 2 no PDB 2KLS . "Apo-Form Of The Second Ca2+ Binding Domain Of Ncx1.4" . . . . . 98.18 164 100.00 100.00 6.20e-110 . . . . 7008 1 3 no GB AAA19128 . "Na-Ca exchanger isoform NACA4, partial [Rattus norvegicus]" . . . . . 63.64 105 98.10 100.00 7.69e-65 . . . . 7008 1 4 no GB ELK14758 . "Sodium/calcium exchanger 1, partial [Pteropus alecto]" . . . . . 53.94 335 98.88 98.88 7.52e-50 . . . . 7008 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Sodium/calcium exchanger 1' abbreviation 7008 1 'Sodium/calcium exchanger 1' common 7008 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 . MET . 7008 1 2 . SER . 7008 1 3 . HIS . 7008 1 4 . HIS . 7008 1 5 . HIS . 7008 1 6 . HIS . 7008 1 7 . HIS . 7008 1 8 . HIS . 7008 1 9 . HIS . 7008 1 10 . ALA . 7008 1 11 . GLY . 7008 1 12 . ILE . 7008 1 13 . PHE . 7008 1 14 . THR . 7008 1 15 . PHE . 7008 1 16 . GLU . 7008 1 17 . GLU . 7008 1 18 . PRO . 7008 1 19 . VAL . 7008 1 20 . THR . 7008 1 21 . HIS . 7008 1 22 . VAL . 7008 1 23 . SER . 7008 1 24 . GLU . 7008 1 25 . SER . 7008 1 26 . ILE . 7008 1 27 . GLY . 7008 1 28 . ILE . 7008 1 29 . MET . 7008 1 30 . GLU . 7008 1 31 . VAL . 7008 1 32 . LYS . 7008 1 33 . VAL . 7008 1 34 . LEU . 7008 1 35 . ARG . 7008 1 36 . THR . 7008 1 37 . SER . 7008 1 38 . GLY . 7008 1 39 . ALA . 7008 1 40 . ARG . 7008 1 41 . GLY . 7008 1 42 . ASN . 7008 1 43 . VAL . 7008 1 44 . ILE . 7008 1 45 . VAL . 7008 1 46 . PRO . 7008 1 47 . TYR . 7008 1 48 . LYS . 7008 1 49 . THR . 7008 1 50 . ILE . 7008 1 51 . GLU . 7008 1 52 . GLY . 7008 1 53 . THR . 7008 1 54 . ALA . 7008 1 55 . ARG . 7008 1 56 . GLY . 7008 1 57 . GLY . 7008 1 58 . GLY . 7008 1 59 . GLU . 7008 1 60 . ASP . 7008 1 61 . PHE . 7008 1 62 . GLU . 7008 1 63 . ASP . 7008 1 64 . THR . 7008 1 65 . CYS . 7008 1 66 . GLY . 7008 1 67 . GLU . 7008 1 68 . LEU . 7008 1 69 . GLU . 7008 1 70 . PHE . 7008 1 71 . GLN . 7008 1 72 . ASN . 7008 1 73 . ASP . 7008 1 74 . GLU . 7008 1 75 . ILE . 7008 1 76 . VAL . 7008 1 77 . LYS . 7008 1 78 . THR . 7008 1 79 . ILE . 7008 1 80 . SER . 7008 1 81 . VAL . 7008 1 82 . LYS . 7008 1 83 . VAL . 7008 1 84 . ILE . 7008 1 85 . ASP . 7008 1 86 . ASP . 7008 1 87 . GLU . 7008 1 88 . GLU . 7008 1 89 . TYR . 7008 1 90 . GLU . 7008 1 91 . LYS . 7008 1 92 . ASN . 7008 1 93 . LYS . 7008 1 94 . THR . 7008 1 95 . PHE . 7008 1 96 . PHE . 7008 1 97 . LEU . 7008 1 98 . GLU . 7008 1 99 . ILE . 7008 1 100 . GLY . 7008 1 101 . GLU . 7008 1 102 . PRO . 7008 1 103 . ARG . 7008 1 104 . LEU . 7008 1 105 . VAL . 7008 1 106 . GLU . 7008 1 107 . MET . 7008 1 108 . SER . 7008 1 109 . GLU . 7008 1 110 . LYS . 7008 1 111 . LYS . 7008 1 112 . GLY . 7008 1 113 . GLY . 7008 1 114 . PHE . 7008 1 115 . THR . 7008 1 116 . ILE . 7008 1 117 . THR . 7008 1 118 . GLU . 7008 1 119 . GLU . 7008 1 120 . TYR . 7008 1 121 . ASP . 7008 1 122 . ASP . 7008 1 123 . LYS . 7008 1 124 . GLN . 7008 1 125 . PRO . 7008 1 126 . LEU . 7008 1 127 . THR . 7008 1 128 . SER . 7008 1 129 . LYS . 7008 1 130 . GLU . 7008 1 131 . GLU . 7008 1 132 . GLU . 7008 1 133 . GLU . 7008 1 134 . ARG . 7008 1 135 . ARG . 7008 1 136 . ILE . 7008 1 137 . ALA . 7008 1 138 . GLU . 7008 1 139 . MET . 7008 1 140 . GLY . 7008 1 141 . ARG . 7008 1 142 . PRO . 7008 1 143 . ILE . 7008 1 144 . LEU . 7008 1 145 . GLY . 7008 1 146 . GLU . 7008 1 147 . HIS . 7008 1 148 . THR . 7008 1 149 . LYS . 7008 1 150 . LEU . 7008 1 151 . GLU . 7008 1 152 . VAL . 7008 1 153 . ILE . 7008 1 154 . ILE . 7008 1 155 . GLU . 7008 1 156 . GLU . 7008 1 157 . SER . 7008 1 158 . TYR . 7008 1 159 . GLU . 7008 1 160 . PHE . 7008 1 161 . LYS . 7008 1 162 . SER . 7008 1 163 . THR . 7008 1 164 . VAL . 7008 1 165 . ASP . 7008 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7008 1 . SER 2 2 7008 1 . HIS 3 3 7008 1 . HIS 4 4 7008 1 . HIS 5 5 7008 1 . HIS 6 6 7008 1 . HIS 7 7 7008 1 . HIS 8 8 7008 1 . HIS 9 9 7008 1 . ALA 10 10 7008 1 . GLY 11 11 7008 1 . ILE 12 12 7008 1 . PHE 13 13 7008 1 . THR 14 14 7008 1 . PHE 15 15 7008 1 . GLU 16 16 7008 1 . GLU 17 17 7008 1 . PRO 18 18 7008 1 . VAL 19 19 7008 1 . THR 20 20 7008 1 . HIS 21 21 7008 1 . VAL 22 22 7008 1 . SER 23 23 7008 1 . GLU 24 24 7008 1 . SER 25 25 7008 1 . ILE 26 26 7008 1 . GLY 27 27 7008 1 . ILE 28 28 7008 1 . MET 29 29 7008 1 . GLU 30 30 7008 1 . VAL 31 31 7008 1 . LYS 32 32 7008 1 . VAL 33 33 7008 1 . LEU 34 34 7008 1 . ARG 35 35 7008 1 . THR 36 36 7008 1 . SER 37 37 7008 1 . GLY 38 38 7008 1 . ALA 39 39 7008 1 . ARG 40 40 7008 1 . GLY 41 41 7008 1 . ASN 42 42 7008 1 . VAL 43 43 7008 1 . ILE 44 44 7008 1 . VAL 45 45 7008 1 . PRO 46 46 7008 1 . TYR 47 47 7008 1 . LYS 48 48 7008 1 . THR 49 49 7008 1 . ILE 50 50 7008 1 . GLU 51 51 7008 1 . GLY 52 52 7008 1 . THR 53 53 7008 1 . ALA 54 54 7008 1 . ARG 55 55 7008 1 . GLY 56 56 7008 1 . GLY 57 57 7008 1 . GLY 58 58 7008 1 . GLU 59 59 7008 1 . ASP 60 60 7008 1 . PHE 61 61 7008 1 . GLU 62 62 7008 1 . ASP 63 63 7008 1 . THR 64 64 7008 1 . CYS 65 65 7008 1 . GLY 66 66 7008 1 . GLU 67 67 7008 1 . LEU 68 68 7008 1 . GLU 69 69 7008 1 . PHE 70 70 7008 1 . GLN 71 71 7008 1 . ASN 72 72 7008 1 . ASP 73 73 7008 1 . GLU 74 74 7008 1 . ILE 75 75 7008 1 . VAL 76 76 7008 1 . LYS 77 77 7008 1 . THR 78 78 7008 1 . ILE 79 79 7008 1 . SER 80 80 7008 1 . VAL 81 81 7008 1 . LYS 82 82 7008 1 . VAL 83 83 7008 1 . ILE 84 84 7008 1 . ASP 85 85 7008 1 . ASP 86 86 7008 1 . GLU 87 87 7008 1 . GLU 88 88 7008 1 . TYR 89 89 7008 1 . GLU 90 90 7008 1 . LYS 91 91 7008 1 . ASN 92 92 7008 1 . LYS 93 93 7008 1 . THR 94 94 7008 1 . PHE 95 95 7008 1 . PHE 96 96 7008 1 . LEU 97 97 7008 1 . GLU 98 98 7008 1 . ILE 99 99 7008 1 . GLY 100 100 7008 1 . GLU 101 101 7008 1 . PRO 102 102 7008 1 . ARG 103 103 7008 1 . LEU 104 104 7008 1 . VAL 105 105 7008 1 . GLU 106 106 7008 1 . MET 107 107 7008 1 . SER 108 108 7008 1 . GLU 109 109 7008 1 . LYS 110 110 7008 1 . LYS 111 111 7008 1 . GLY 112 112 7008 1 . GLY 113 113 7008 1 . PHE 114 114 7008 1 . THR 115 115 7008 1 . ILE 116 116 7008 1 . THR 117 117 7008 1 . GLU 118 118 7008 1 . GLU 119 119 7008 1 . TYR 120 120 7008 1 . ASP 121 121 7008 1 . ASP 122 122 7008 1 . LYS 123 123 7008 1 . GLN 124 124 7008 1 . PRO 125 125 7008 1 . LEU 126 126 7008 1 . THR 127 127 7008 1 . SER 128 128 7008 1 . LYS 129 129 7008 1 . GLU 130 130 7008 1 . GLU 131 131 7008 1 . GLU 132 132 7008 1 . GLU 133 133 7008 1 . ARG 134 134 7008 1 . ARG 135 135 7008 1 . ILE 136 136 7008 1 . ALA 137 137 7008 1 . GLU 138 138 7008 1 . MET 139 139 7008 1 . GLY 140 140 7008 1 . ARG 141 141 7008 1 . PRO 142 142 7008 1 . ILE 143 143 7008 1 . LEU 144 144 7008 1 . GLY 145 145 7008 1 . GLU 146 146 7008 1 . HIS 147 147 7008 1 . THR 148 148 7008 1 . LYS 149 149 7008 1 . LEU 150 150 7008 1 . GLU 151 151 7008 1 . VAL 152 152 7008 1 . ILE 153 153 7008 1 . ILE 154 154 7008 1 . GLU 155 155 7008 1 . GLU 156 156 7008 1 . SER 157 157 7008 1 . TYR 158 158 7008 1 . GLU 159 159 7008 1 . PHE 160 160 7008 1 . LYS 161 161 7008 1 . SER 162 162 7008 1 . THR 163 163 7008 1 . VAL 164 164 7008 1 . ASP 165 165 7008 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 7008 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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_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 . CA . 7008 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7008 _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 $exchanger_1 . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 7008 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 7008 _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 $exchanger_1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7008 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 7008 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 7008 CA [Ca++] SMILES CACTVS 3.341 7008 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 7008 CA [Ca+2] SMILES ACDLabs 10.04 7008 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 7008 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7008 CA InChI=1S/Ca/q+2 InChI InChI 1.03 7008 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 7008 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7008 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7008 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7008 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Sodium/calcium exchanger 1' '[U-13C; U-15N]' . . 1 $exchanger_1 . . . 0.5 1.0 mM . . . . 7008 1 2 HEPES . . . . . . . 20 . . mM . . . . 7008 1 3 'beta-Mercaptoethanol buffer' . . . . . . . 20 . . mM . . . . 7008 1 4 H2O . . . . . . . 95 . . % . . . . 7008 1 5 D2O . . . . . . . 5 . . % . . . . 7008 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7008 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 7008 1 pH 7.0 . pH 7008 1 pressure 1 . atm 7008 1 temperature 306 . K 7008 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7008 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7008 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 7008 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details 'Bartels, C.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7008 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7008 _Software.ID 3 _Software.Name CYANA _Software.Version 2.0 _Software.Details 'Guentert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7008 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7008 _Software.ID 4 _Software.Name X-PLOR _Software.Version 'NIH version 2.9.7' _Software.Details 'Clore, G.M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7008 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7008 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7008 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 7008 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 7008 _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 '3D 13C separated aliphatic NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7008 1 2 '3D 13C separated aromatic NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7008 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7008 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7008 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C separated aliphatic NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7008 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C separated aromatic NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7008 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7008 _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 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7008 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7008 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7008 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7008 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 7008 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 9 9 HIS HA H 1 3.898 0.000 . . . . . . 501 . . . 7008 1 2 . 1 1 9 9 HIS HB2 H 1 3.035 0.000 . . . . . . 501 . . . 7008 1 3 . 1 1 9 9 HIS HB3 H 1 3.319 0.000 . . . . . . 501 . . . 7008 1 4 . 1 1 9 9 HIS HD2 H 1 7.013 0.000 . . . . . . 501 . . . 7008 1 5 . 1 1 9 9 HIS HE1 H 1 7.614 0.000 . . . . . . 501 . . . 7008 1 6 . 1 1 9 9 HIS CA C 13 61.754 0.000 . . . . . . 501 . . . 7008 1 7 . 1 1 9 9 HIS CB C 13 29.409 0.000 . . . . . . 501 . . . 7008 1 8 . 1 1 9 9 HIS CD2 C 13 118.010 0.000 . . . . . . 501 . . . 7008 1 9 . 1 1 9 9 HIS CE1 C 13 138.983 0.000 . . . . . . 501 . . . 7008 1 10 . 1 1 10 10 ALA H H 1 8.053 0.000 . . . . . . 502 . . . 7008 1 11 . 1 1 10 10 ALA HA H 1 5.101 0.000 . . . . . . 502 . . . 7008 1 12 . 1 1 10 10 ALA HB1 H 1 1.348 0.000 . . . . . . 502 . . . 7008 1 13 . 1 1 10 10 ALA HB2 H 1 1.348 0.000 . . . . . . 502 . . . 7008 1 14 . 1 1 10 10 ALA HB3 H 1 1.348 0.000 . . . . . . 502 . . . 7008 1 15 . 1 1 10 10 ALA CA C 13 53.025 0.000 . . . . . . 502 . . . 7008 1 16 . 1 1 10 10 ALA CB C 13 20.269 0.000 . . . . . . 502 . . . 7008 1 17 . 1 1 10 10 ALA N N 15 122.892 0.000 . . . . . . 502 . . . 7008 1 18 . 1 1 11 11 GLY H H 1 9.891 0.000 . . . . . . 503 . . . 7008 1 19 . 1 1 11 11 GLY HA2 H 1 3.633 0.000 . . . . . . 503 . . . 7008 1 20 . 1 1 11 11 GLY HA3 H 1 3.993 0.000 . . . . . . 503 . . . 7008 1 21 . 1 1 11 11 GLY CA C 13 44.662 0.000 . . . . . . 503 . . . 7008 1 22 . 1 1 12 12 ILE H H 1 8.178 0.000 . . . . . . 504 . . . 7008 1 23 . 1 1 12 12 ILE HA H 1 4.695 0.000 . . . . . . 504 . . . 7008 1 24 . 1 1 12 12 ILE HB H 1 1.561 0.000 . . . . . . 504 . . . 7008 1 25 . 1 1 12 12 ILE HG12 H 1 0.667 0.000 . . . . . . 504 . . . 7008 1 26 . 1 1 12 12 ILE HG13 H 1 0.667 0.000 . . . . . . 504 . . . 7008 1 27 . 1 1 12 12 ILE HG21 H 1 0.506 0.000 . . . . . . 504 . . . 7008 1 28 . 1 1 12 12 ILE HG22 H 1 0.506 0.000 . . . . . . 504 . . . 7008 1 29 . 1 1 12 12 ILE HG23 H 1 0.506 0.000 . . . . . . 504 . . . 7008 1 30 . 1 1 12 12 ILE HD11 H 1 0.667 0.000 . . . . . . 504 . . . 7008 1 31 . 1 1 12 12 ILE HD12 H 1 0.667 0.000 . . . . . . 504 . . . 7008 1 32 . 1 1 12 12 ILE HD13 H 1 0.667 0.000 . . . . . . 504 . . . 7008 1 33 . 1 1 12 12 ILE CA C 13 60.639 0.000 . . . . . . 504 . . . 7008 1 34 . 1 1 12 12 ILE CB C 13 37.785 0.000 . . . . . . 504 . . . 7008 1 35 . 1 1 12 12 ILE CG1 C 13 26.364 0.000 . . . . . . 504 . . . 7008 1 36 . 1 1 12 12 ILE CG2 C 13 16.961 0.000 . . . . . . 504 . . . 7008 1 37 . 1 1 12 12 ILE CD1 C 13 13.412 0.000 . . . . . . 504 . . . 7008 1 38 . 1 1 12 12 ILE N N 15 121.060 0.000 . . . . . . 504 . . . 7008 1 39 . 1 1 13 13 PHE H H 1 8.867 0.000 . . . . . . 505 . . . 7008 1 40 . 1 1 13 13 PHE HA H 1 5.379 0.000 . . . . . . 505 . . . 7008 1 41 . 1 1 13 13 PHE HB2 H 1 2.345 0.000 . . . . . . 505 . . . 7008 1 42 . 1 1 13 13 PHE HB3 H 1 2.639 0.000 . . . . . . 505 . . . 7008 1 43 . 1 1 13 13 PHE HD1 H 1 6.764 0.000 . . . . . . 505 . . . 7008 1 44 . 1 1 13 13 PHE HD2 H 1 6.764 0.000 . . . . . . 505 . . . 7008 1 45 . 1 1 13 13 PHE CA C 13 57.847 0.000 . . . . . . 505 . . . 7008 1 46 . 1 1 13 13 PHE CB C 13 40.972 0.000 . . . . . . 505 . . . 7008 1 47 . 1 1 13 13 PHE CD1 C 13 131.798 0.000 . . . . . . 505 . . . 7008 1 48 . 1 1 13 13 PHE N N 15 127.442 0.000 . . . . . . 505 . . . 7008 1 49 . 1 1 14 14 THR H H 1 8.830 0.000 . . . . . . 506 . . . 7008 1 50 . 1 1 14 14 THR HA H 1 4.773 0.000 . . . . . . 506 . . . 7008 1 51 . 1 1 14 14 THR HB H 1 3.861 0.000 . . . . . . 506 . . . 7008 1 52 . 1 1 14 14 THR HG21 H 1 1.121 0.000 . . . . . . 506 . . . 7008 1 53 . 1 1 14 14 THR HG22 H 1 1.121 0.000 . . . . . . 506 . . . 7008 1 54 . 1 1 14 14 THR HG23 H 1 1.121 0.000 . . . . . . 506 . . . 7008 1 55 . 1 1 14 14 THR CA C 13 59.888 0.000 . . . . . . 506 . . . 7008 1 56 . 1 1 14 14 THR CB C 13 70.882 0.000 . . . . . . 506 . . . 7008 1 57 . 1 1 14 14 THR CG2 C 13 19.025 0.000 . . . . . . 506 . . . 7008 1 58 . 1 1 14 14 THR N N 15 117.108 0.000 . . . . . . 506 . . . 7008 1 59 . 1 1 15 15 PHE H H 1 9.028 0.000 . . . . . . 507 . . . 7008 1 60 . 1 1 15 15 PHE HA H 1 5.242 0.000 . . . . . . 507 . . . 7008 1 61 . 1 1 15 15 PHE HB2 H 1 2.735 0.000 . . . . . . 507 . . . 7008 1 62 . 1 1 15 15 PHE HB3 H 1 3.649 0.000 . . . . . . 507 . . . 7008 1 63 . 1 1 15 15 PHE HD1 H 1 7.284 0.000 . . . . . . 507 . . . 7008 1 64 . 1 1 15 15 PHE HD2 H 1 7.284 0.000 . . . . . . 507 . . . 7008 1 65 . 1 1 15 15 PHE HE1 H 1 7.053 0.000 . . . . . . 507 . . . 7008 1 66 . 1 1 15 15 PHE HE2 H 1 7.053 0.000 . . . . . . 507 . . . 7008 1 67 . 1 1 15 15 PHE HZ H 1 6.735 0.000 . . . . . . 507 . . . 7008 1 68 . 1 1 15 15 PHE CA C 13 59.628 0.000 . . . . . . 507 . . . 7008 1 69 . 1 1 15 15 PHE CB C 13 39.807 0.000 . . . . . . 507 . . . 7008 1 70 . 1 1 15 15 PHE CD1 C 13 131.992 0.000 . . . . . . 507 . . . 7008 1 71 . 1 1 15 15 PHE CE1 C 13 131.216 0.000 . . . . . . 507 . . . 7008 1 72 . 1 1 15 15 PHE CZ C 13 129.274 0.000 . . . . . . 507 . . . 7008 1 73 . 1 1 15 15 PHE N N 15 123.663 0.000 . . . . . . 507 . . . 7008 1 74 . 1 1 16 16 GLU H H 1 10.141 0.000 . . . . . . 508 . . . 7008 1 75 . 1 1 16 16 GLU HA H 1 4.115 0.000 . . . . . . 508 . . . 7008 1 76 . 1 1 16 16 GLU HB2 H 1 2.212 0.000 . . . . . . 508 . . . 7008 1 77 . 1 1 16 16 GLU HB3 H 1 2.212 0.000 . . . . . . 508 . . . 7008 1 78 . 1 1 16 16 GLU HG2 H 1 2.413 0.000 . . . . . . 508 . . . 7008 1 79 . 1 1 16 16 GLU HG3 H 1 2.413 0.000 . . . . . . 508 . . . 7008 1 80 . 1 1 16 16 GLU CA C 13 59.695 0.000 . . . . . . 508 . . . 7008 1 81 . 1 1 16 16 GLU CB C 13 31.703 0.000 . . . . . . 508 . . . 7008 1 82 . 1 1 16 16 GLU CG C 13 37.718 0.000 . . . . . . 508 . . . 7008 1 83 . 1 1 16 16 GLU N N 15 121.805 0.000 . . . . . . 508 . . . 7008 1 84 . 1 1 17 17 GLU H H 1 7.533 0.000 . . . . . . 509 . . . 7008 1 85 . 1 1 17 17 GLU HA H 1 4.426 0.000 . . . . . . 509 . . . 7008 1 86 . 1 1 17 17 GLU HB2 H 1 1.854 0.000 . . . . . . 509 . . . 7008 1 87 . 1 1 17 17 GLU HB3 H 1 2.198 0.000 . . . . . . 509 . . . 7008 1 88 . 1 1 17 17 GLU HG2 H 1 2.139 0.000 . . . . . . 509 . . . 7008 1 89 . 1 1 17 17 GLU HG3 H 1 2.139 0.000 . . . . . . 509 . . . 7008 1 90 . 1 1 17 17 GLU CA C 13 52.518 0.000 . . . . . . 509 . . . 7008 1 91 . 1 1 17 17 GLU CB C 13 31.693 0.000 . . . . . . 509 . . . 7008 1 92 . 1 1 17 17 GLU CG C 13 34.368 0.000 . . . . . . 509 . . . 7008 1 93 . 1 1 17 17 GLU N N 15 112.482 0.000 . . . . . . 509 . . . 7008 1 94 . 1 1 18 18 PRO HA H 1 4.550 0.000 . . . . . . 510 . . . 7008 1 95 . 1 1 18 18 PRO HB2 H 1 2.181 0.000 . . . . . . 510 . . . 7008 1 96 . 1 1 18 18 PRO HB3 H 1 2.181 0.000 . . . . . . 510 . . . 7008 1 97 . 1 1 18 18 PRO HG2 H 1 2.031 0.000 . . . . . . 510 . . . 7008 1 98 . 1 1 18 18 PRO HG3 H 1 2.031 0.000 . . . . . . 510 . . . 7008 1 99 . 1 1 18 18 PRO HD2 H 1 3.781 0.000 . . . . . . 510 . . . 7008 1 100 . 1 1 18 18 PRO HD3 H 1 3.781 0.000 . . . . . . 510 . . . 7008 1 101 . 1 1 18 18 PRO CA C 13 63.180 0.000 . . . . . . 510 . . . 7008 1 102 . 1 1 18 18 PRO CB C 13 31.942 0.000 . . . . . . 510 . . . 7008 1 103 . 1 1 18 18 PRO CG C 13 26.361 0.000 . . . . . . 510 . . . 7008 1 104 . 1 1 18 18 PRO CD C 13 49.264 0.000 . . . . . . 510 . . . 7008 1 105 . 1 1 19 19 VAL H H 1 6.845 0.000 . . . . . . 511 . . . 7008 1 106 . 1 1 19 19 VAL HA H 1 5.242 0.000 . . . . . . 511 . . . 7008 1 107 . 1 1 19 19 VAL HB H 1 1.883 0.000 . . . . . . 511 . . . 7008 1 108 . 1 1 19 19 VAL HG11 H 1 0.762 0.000 . . . . . . 511 . . . 7008 1 109 . 1 1 19 19 VAL HG12 H 1 0.762 0.000 . . . . . . 511 . . . 7008 1 110 . 1 1 19 19 VAL HG13 H 1 0.762 0.000 . . . . . . 511 . . . 7008 1 111 . 1 1 19 19 VAL HG21 H 1 0.872 0.000 . . . . . . 511 . . . 7008 1 112 . 1 1 19 19 VAL HG22 H 1 0.872 0.000 . . . . . . 511 . . . 7008 1 113 . 1 1 19 19 VAL HG23 H 1 0.872 0.000 . . . . . . 511 . . . 7008 1 114 . 1 1 19 19 VAL CA C 13 59.713 0.000 . . . . . . 511 . . . 7008 1 115 . 1 1 19 19 VAL CB C 13 35.761 0.000 . . . . . . 511 . . . 7008 1 116 . 1 1 19 19 VAL CG1 C 13 20.519 0.000 . . . . . . 511 . . . 7008 1 117 . 1 1 19 19 VAL CG2 C 13 21.531 0.000 . . . . . . 511 . . . 7008 1 118 . 1 1 19 19 VAL N N 15 119.614 0.000 . . . . . . 511 . . . 7008 1 119 . 1 1 20 20 THR H H 1 8.771 0.000 . . . . . . 512 . . . 7008 1 120 . 1 1 20 20 THR HA H 1 4.645 0.000 . . . . . . 512 . . . 7008 1 121 . 1 1 20 20 THR HB H 1 3.758 0.000 . . . . . . 512 . . . 7008 1 122 . 1 1 20 20 THR HG21 H 1 0.857 0.000 . . . . . . 512 . . . 7008 1 123 . 1 1 20 20 THR HG22 H 1 0.857 0.000 . . . . . . 512 . . . 7008 1 124 . 1 1 20 20 THR HG23 H 1 0.857 0.000 . . . . . . 512 . . . 7008 1 125 . 1 1 20 20 THR CA C 13 60.783 0.000 . . . . . . 512 . . . 7008 1 126 . 1 1 20 20 THR CB C 13 70.300 0.000 . . . . . . 512 . . . 7008 1 127 . 1 1 20 20 THR CG2 C 13 20.384 0.000 . . . . . . 512 . . . 7008 1 128 . 1 1 20 20 THR N N 15 121.157 0.000 . . . . . . 512 . . . 7008 1 129 . 1 1 21 21 HIS H H 1 8.090 0.000 . . . . . . 513 . . . 7008 1 130 . 1 1 21 21 HIS HA H 1 5.587 0.000 . . . . . . 513 . . . 7008 1 131 . 1 1 21 21 HIS HB2 H 1 2.937 0.000 . . . . . . 513 . . . 7008 1 132 . 1 1 21 21 HIS HB3 H 1 3.033 0.000 . . . . . . 513 . . . 7008 1 133 . 1 1 21 21 HIS HE1 H 1 8.376 0.000 . . . . . . 513 . . . 7008 1 134 . 1 1 21 21 HIS CA C 13 54.133 0.000 . . . . . . 513 . . . 7008 1 135 . 1 1 21 21 HIS CB C 13 30.937 0.000 . . . . . . 513 . . . 7008 1 136 . 1 1 21 21 HIS CE1 C 13 136.265 0.000 . . . . . . 513 . . . 7008 1 137 . 1 1 21 21 HIS N N 15 122.988 0.000 . . . . . . 513 . . . 7008 1 138 . 1 1 22 22 VAL H H 1 9.123 0.000 . . . . . . 514 . . . 7008 1 139 . 1 1 22 22 VAL HA H 1 4.674 0.000 . . . . . . 514 . . . 7008 1 140 . 1 1 22 22 VAL HB H 1 2.037 0.000 . . . . . . 514 . . . 7008 1 141 . 1 1 22 22 VAL HG11 H 1 0.843 0.000 . . . . . . 514 . . . 7008 1 142 . 1 1 22 22 VAL HG12 H 1 0.843 0.000 . . . . . . 514 . . . 7008 1 143 . 1 1 22 22 VAL HG13 H 1 0.843 0.000 . . . . . . 514 . . . 7008 1 144 . 1 1 22 22 VAL HG21 H 1 0.784 0.000 . . . . . . 514 . . . 7008 1 145 . 1 1 22 22 VAL HG22 H 1 0.784 0.000 . . . . . . 514 . . . 7008 1 146 . 1 1 22 22 VAL HG23 H 1 0.784 0.000 . . . . . . 514 . . . 7008 1 147 . 1 1 22 22 VAL CA C 13 58.697 0.000 . . . . . . 514 . . . 7008 1 148 . 1 1 22 22 VAL CB C 13 36.272 0.000 . . . . . . 514 . . . 7008 1 149 . 1 1 22 22 VAL CG1 C 13 21.787 0.000 . . . . . . 514 . . . 7008 1 150 . 1 1 22 22 VAL CG2 C 13 19.508 0.000 . . . . . . 514 . . . 7008 1 151 . 1 1 22 22 VAL N N 15 117.590 0.000 . . . . . . 514 . . . 7008 1 152 . 1 1 23 23 SER H H 1 8.376 0.000 . . . . . . 515 . . . 7008 1 153 . 1 1 23 23 SER HA H 1 4.608 0.000 . . . . . . 515 . . . 7008 1 154 . 1 1 23 23 SER HB2 H 1 3.605 0.000 . . . . . . 515 . . . 7008 1 155 . 1 1 23 23 SER HB3 H 1 4.037 0.000 . . . . . . 515 . . . 7008 1 156 . 1 1 23 23 SER CA C 13 57.851 0.000 . . . . . . 515 . . . 7008 1 157 . 1 1 23 23 SER CB C 13 63.783 0.000 . . . . . . 515 . . . 7008 1 158 . 1 1 23 23 SER N N 15 116.530 0.000 . . . . . . 515 . . . 7008 1 159 . 1 1 24 24 GLU H H 1 8.581 0.000 . . . . . . 516 . . . 7008 1 160 . 1 1 24 24 GLU HA H 1 3.766 0.000 . . . . . . 516 . . . 7008 1 161 . 1 1 24 24 GLU HB2 H 1 2.096 0.000 . . . . . . 516 . . . 7008 1 162 . 1 1 24 24 GLU HB3 H 1 2.096 0.000 . . . . . . 516 . . . 7008 1 163 . 1 1 24 24 GLU HG2 H 1 2.410 0.000 . . . . . . 516 . . . 7008 1 164 . 1 1 24 24 GLU HG3 H 1 2.843 0.000 . . . . . . 516 . . . 7008 1 165 . 1 1 24 24 GLU CA C 13 58.351 0.000 . . . . . . 516 . . . 7008 1 166 . 1 1 24 24 GLU CB C 13 30.290 0.000 . . . . . . 516 . . . 7008 1 167 . 1 1 24 24 GLU CG C 13 35.340 0.000 . . . . . . 516 . . . 7008 1 168 . 1 1 24 24 GLU N N 15 127.904 0.000 . . . . . . 516 . . . 7008 1 169 . 1 1 25 25 SER H H 1 8.024 0.000 . . . . . . 517 . . . 7008 1 170 . 1 1 25 25 SER HA H 1 4.390 0.000 . . . . . . 517 . . . 7008 1 171 . 1 1 25 25 SER HB2 H 1 3.839 0.000 . . . . . . 517 . . . 7008 1 172 . 1 1 25 25 SER HB3 H 1 4.008 0.000 . . . . . . 517 . . . 7008 1 173 . 1 1 25 25 SER CA C 13 57.287 0.000 . . . . . . 517 . . . 7008 1 174 . 1 1 25 25 SER CB C 13 63.939 0.000 . . . . . . 517 . . . 7008 1 175 . 1 1 25 25 SER N N 15 109.205 0.000 . . . . . . 517 . . . 7008 1 176 . 1 1 26 26 ILE H H 1 7.709 0.000 . . . . . . 518 . . . 7008 1 177 . 1 1 26 26 ILE HA H 1 3.993 0.000 . . . . . . 518 . . . 7008 1 178 . 1 1 26 26 ILE HB H 1 2.184 0.000 . . . . . . 518 . . . 7008 1 179 . 1 1 26 26 ILE HG12 H 1 1.341 0.000 . . . . . . 518 . . . 7008 1 180 . 1 1 26 26 ILE HG13 H 1 1.341 0.000 . . . . . . 518 . . . 7008 1 181 . 1 1 26 26 ILE HG21 H 1 0.806 0.000 . . . . . . 518 . . . 7008 1 182 . 1 1 26 26 ILE HG22 H 1 0.806 0.000 . . . . . . 518 . . . 7008 1 183 . 1 1 26 26 ILE HG23 H 1 0.806 0.000 . . . . . . 518 . . . 7008 1 184 . 1 1 26 26 ILE HD11 H 1 1.048 0.000 . . . . . . 518 . . . 7008 1 185 . 1 1 26 26 ILE HD12 H 1 1.048 0.000 . . . . . . 518 . . . 7008 1 186 . 1 1 26 26 ILE HD13 H 1 1.048 0.000 . . . . . . 518 . . . 7008 1 187 . 1 1 26 26 ILE CA C 13 62.725 0.000 . . . . . . 518 . . . 7008 1 188 . 1 1 26 26 ILE CB C 13 39.231 0.000 . . . . . . 518 . . . 7008 1 189 . 1 1 26 26 ILE CG1 C 13 29.151 0.000 . . . . . . 518 . . . 7008 1 190 . 1 1 26 26 ILE CG2 C 13 17.480 0.000 . . . . . . 518 . . . 7008 1 191 . 1 1 26 26 ILE CD1 C 13 14.752 0.000 . . . . . . 518 . . . 7008 1 192 . 1 1 26 26 ILE N N 15 121.579 0.000 . . . . . . 518 . . . 7008 1 193 . 1 1 27 27 GLY H H 1 8.786 0.000 . . . . . . 519 . . . 7008 1 194 . 1 1 27 27 GLY HA2 H 1 3.457 0.000 . . . . . . 519 . . . 7008 1 195 . 1 1 27 27 GLY HA3 H 1 4.366 0.000 . . . . . . 519 . . . 7008 1 196 . 1 1 27 27 GLY CA C 13 46.216 0.000 . . . . . . 519 . . . 7008 1 197 . 1 1 27 27 GLY N N 15 112.964 0.000 . . . . . . 519 . . . 7008 1 198 . 1 1 28 28 ILE H H 1 7.855 0.000 . . . . . . 520 . . . 7008 1 199 . 1 1 28 28 ILE HA H 1 4.587 0.000 . . . . . . 520 . . . 7008 1 200 . 1 1 28 28 ILE HB H 1 1.788 0.000 . . . . . . 520 . . . 7008 1 201 . 1 1 28 28 ILE HG12 H 1 1.583 0.000 . . . . . . 520 . . . 7008 1 202 . 1 1 28 28 ILE HG13 H 1 1.583 0.000 . . . . . . 520 . . . 7008 1 203 . 1 1 28 28 ILE HG21 H 1 0.792 0.000 . . . . . . 520 . . . 7008 1 204 . 1 1 28 28 ILE HG22 H 1 0.792 0.000 . . . . . . 520 . . . 7008 1 205 . 1 1 28 28 ILE HG23 H 1 0.792 0.000 . . . . . . 520 . . . 7008 1 206 . 1 1 28 28 ILE HD11 H 1 0.857 0.000 . . . . . . 520 . . . 7008 1 207 . 1 1 28 28 ILE HD12 H 1 0.857 0.000 . . . . . . 520 . . . 7008 1 208 . 1 1 28 28 ILE HD13 H 1 0.857 0.000 . . . . . . 520 . . . 7008 1 209 . 1 1 28 28 ILE CA C 13 60.006 0.000 . . . . . . 520 . . . 7008 1 210 . 1 1 28 28 ILE CB C 13 40.076 0.000 . . . . . . 520 . . . 7008 1 211 . 1 1 28 28 ILE CG1 C 13 27.765 0.000 . . . . . . 520 . . . 7008 1 212 . 1 1 28 28 ILE CG2 C 13 17.864 0.000 . . . . . . 520 . . . 7008 1 213 . 1 1 28 28 ILE CD1 C 13 12.652 0.000 . . . . . . 520 . . . 7008 1 214 . 1 1 28 28 ILE N N 15 125.187 0.000 . . . . . . 520 . . . 7008 1 215 . 1 1 29 29 MET H H 1 9.160 0.000 . . . . . . 521 . . . 7008 1 216 . 1 1 29 29 MET HA H 1 4.653 0.000 . . . . . . 521 . . . 7008 1 217 . 1 1 29 29 MET HB2 H 1 2.013 0.000 . . . . . . 521 . . . 7008 1 218 . 1 1 29 29 MET HB3 H 1 2.013 0.000 . . . . . . 521 . . . 7008 1 219 . 1 1 29 29 MET HG2 H 1 2.346 0.000 . . . . . . 521 . . . 7008 1 220 . 1 1 29 29 MET HG3 H 1 2.346 0.000 . . . . . . 521 . . . 7008 1 221 . 1 1 29 29 MET HE1 H 1 1.685 0.000 . . . . . . 521 . . . 7008 1 222 . 1 1 29 29 MET HE2 H 1 1.685 0.000 . . . . . . 521 . . . 7008 1 223 . 1 1 29 29 MET HE3 H 1 1.685 0.000 . . . . . . 521 . . . 7008 1 224 . 1 1 29 29 MET CA C 13 54.037 0.000 . . . . . . 521 . . . 7008 1 225 . 1 1 29 29 MET CB C 13 35.409 0.000 . . . . . . 521 . . . 7008 1 226 . 1 1 29 29 MET CG C 13 31.689 0.000 . . . . . . 521 . . . 7008 1 227 . 1 1 29 29 MET CE C 13 17.277 0.000 . . . . . . 521 . . . 7008 1 228 . 1 1 29 29 MET N N 15 127.442 0.000 . . . . . . 521 . . . 7008 1 229 . 1 1 30 30 GLU H H 1 8.398 0.000 . . . . . . 522 . . . 7008 1 230 . 1 1 30 30 GLU HA H 1 5.238 0.000 . . . . . . 522 . . . 7008 1 231 . 1 1 30 30 GLU HB2 H 1 1.781 0.000 . . . . . . 522 . . . 7008 1 232 . 1 1 30 30 GLU HB3 H 1 1.868 0.000 . . . . . . 522 . . . 7008 1 233 . 1 1 30 30 GLU HG2 H 1 2.000 0.000 . . . . . . 522 . . . 7008 1 234 . 1 1 30 30 GLU HG3 H 1 2.132 0.000 . . . . . . 522 . . . 7008 1 235 . 1 1 30 30 GLU CA C 13 54.956 0.000 . . . . . . 522 . . . 7008 1 236 . 1 1 30 30 GLU CB C 13 32.703 0.000 . . . . . . 522 . . . 7008 1 237 . 1 1 30 30 GLU CG C 13 36.883 0.000 . . . . . . 522 . . . 7008 1 238 . 1 1 30 30 GLU N N 15 123.471 0.000 . . . . . . 522 . . . 7008 1 239 . 1 1 31 31 VAL H H 1 9.043 0.000 . . . . . . 523 . . . 7008 1 240 . 1 1 31 31 VAL HA H 1 4.411 0.000 . . . . . . 523 . . . 7008 1 241 . 1 1 31 31 VAL HB H 1 1.876 0.000 . . . . . . 523 . . . 7008 1 242 . 1 1 31 31 VAL HG11 H 1 0.828 0.000 . . . . . . 523 . . . 7008 1 243 . 1 1 31 31 VAL HG12 H 1 0.828 0.000 . . . . . . 523 . . . 7008 1 244 . 1 1 31 31 VAL HG13 H 1 0.828 0.000 . . . . . . 523 . . . 7008 1 245 . 1 1 31 31 VAL HG21 H 1 0.718 0.000 . . . . . . 523 . . . 7008 1 246 . 1 1 31 31 VAL HG22 H 1 0.718 0.000 . . . . . . 523 . . . 7008 1 247 . 1 1 31 31 VAL HG23 H 1 0.718 0.000 . . . . . . 523 . . . 7008 1 248 . 1 1 31 31 VAL CA C 13 60.388 0.000 . . . . . . 523 . . . 7008 1 249 . 1 1 31 31 VAL CB C 13 35.145 0.000 . . . . . . 523 . . . 7008 1 250 . 1 1 31 31 VAL CG1 C 13 22.296 0.000 . . . . . . 523 . . . 7008 1 251 . 1 1 31 31 VAL CG2 C 13 20.777 0.000 . . . . . . 523 . . . 7008 1 252 . 1 1 31 31 VAL N N 15 122.820 0.000 . . . . . . 523 . . . 7008 1 253 . 1 1 32 32 LYS H H 1 8.683 0.000 . . . . . . 524 . . . 7008 1 254 . 1 1 32 32 LYS HA H 1 4.660 0.000 . . . . . . 524 . . . 7008 1 255 . 1 1 32 32 LYS HB2 H 1 1.598 0.000 . . . . . . 524 . . . 7008 1 256 . 1 1 32 32 LYS HB3 H 1 1.634 0.000 . . . . . . 524 . . . 7008 1 257 . 1 1 32 32 LYS HG2 H 1 1.232 0.000 . . . . . . 524 . . . 7008 1 258 . 1 1 32 32 LYS HG3 H 1 1.561 0.000 . . . . . . 524 . . . 7008 1 259 . 1 1 32 32 LYS HD2 H 1 1.648 0.000 . . . . . . 524 . . . 7008 1 260 . 1 1 32 32 LYS HD3 H 1 1.648 0.000 . . . . . . 524 . . . 7008 1 261 . 1 1 32 32 LYS HE2 H 1 2.953 0.000 . . . . . . 524 . . . 7008 1 262 . 1 1 32 32 LYS HE3 H 1 2.953 0.000 . . . . . . 524 . . . 7008 1 263 . 1 1 32 32 LYS CA C 13 56.832 0.000 . . . . . . 524 . . . 7008 1 264 . 1 1 32 32 LYS CB C 13 34.742 0.000 . . . . . . 524 . . . 7008 1 265 . 1 1 32 32 LYS CG C 13 25.604 0.000 . . . . . . 524 . . . 7008 1 266 . 1 1 32 32 LYS CD C 13 29.406 0.000 . . . . . . 524 . . . 7008 1 267 . 1 1 32 32 LYS CE C 13 42.103 0.000 . . . . . . 524 . . . 7008 1 268 . 1 1 32 32 LYS N N 15 124.060 0.000 . . . . . . 524 . . . 7008 1 269 . 1 1 33 33 VAL H H 1 8.925 0.000 . . . . . . 525 . . . 7008 1 270 . 1 1 33 33 VAL HA H 1 4.104 0.000 . . . . . . 525 . . . 7008 1 271 . 1 1 33 33 VAL HB H 1 1.942 0.000 . . . . . . 525 . . . 7008 1 272 . 1 1 33 33 VAL HG11 H 1 0.839 0.000 . . . . . . 525 . . . 7008 1 273 . 1 1 33 33 VAL HG12 H 1 0.839 0.000 . . . . . . 525 . . . 7008 1 274 . 1 1 33 33 VAL HG13 H 1 0.839 0.000 . . . . . . 525 . . . 7008 1 275 . 1 1 33 33 VAL HG21 H 1 0.689 0.000 . . . . . . 525 . . . 7008 1 276 . 1 1 33 33 VAL HG22 H 1 0.689 0.000 . . . . . . 525 . . . 7008 1 277 . 1 1 33 33 VAL HG23 H 1 0.689 0.000 . . . . . . 525 . . . 7008 1 278 . 1 1 33 33 VAL CA C 13 62.931 0.000 . . . . . . 525 . . . 7008 1 279 . 1 1 33 33 VAL CB C 13 33.203 0.000 . . . . . . 525 . . . 7008 1 280 . 1 1 33 33 VAL CG1 C 13 21.161 0.000 . . . . . . 525 . . . 7008 1 281 . 1 1 33 33 VAL CG2 C 13 22.132 0.000 . . . . . . 525 . . . 7008 1 282 . 1 1 33 33 VAL N N 15 121.831 0.000 . . . . . . 525 . . . 7008 1 283 . 1 1 34 34 LEU H H 1 8.881 0.000 . . . . . . 526 . . . 7008 1 284 . 1 1 34 34 LEU HA H 1 4.820 0.000 . . . . . . 526 . . . 7008 1 285 . 1 1 34 34 LEU HB2 H 1 1.451 0.000 . . . . . . 526 . . . 7008 1 286 . 1 1 34 34 LEU HB3 H 1 1.789 0.000 . . . . . . 526 . . . 7008 1 287 . 1 1 34 34 LEU HG H 1 1.715 0.000 . . . . . . 526 . . . 7008 1 288 . 1 1 34 34 LEU HD11 H 1 0.937 0.000 . . . . . . 526 . . . 7008 1 289 . 1 1 34 34 LEU HD12 H 1 0.937 0.000 . . . . . . 526 . . . 7008 1 290 . 1 1 34 34 LEU HD13 H 1 0.937 0.000 . . . . . . 526 . . . 7008 1 291 . 1 1 34 34 LEU HD21 H 1 0.923 0.000 . . . . . . 526 . . . 7008 1 292 . 1 1 34 34 LEU HD22 H 1 0.923 0.000 . . . . . . 526 . . . 7008 1 293 . 1 1 34 34 LEU HD23 H 1 0.923 0.000 . . . . . . 526 . . . 7008 1 294 . 1 1 34 34 LEU CA C 13 54.289 0.000 . . . . . . 526 . . . 7008 1 295 . 1 1 34 34 LEU CB C 13 43.634 0.000 . . . . . . 526 . . . 7008 1 296 . 1 1 34 34 LEU CG C 13 27.376 0.000 . . . . . . 526 . . . 7008 1 297 . 1 1 34 34 LEU CD1 C 13 25.491 0.000 . . . . . . 526 . . . 7008 1 298 . 1 1 34 34 LEU CD2 C 13 23.298 0.000 . . . . . . 526 . . . 7008 1 299 . 1 1 34 34 LEU N N 15 125.301 0.000 . . . . . . 526 . . . 7008 1 300 . 1 1 35 35 ARG H H 1 8.061 0.000 . . . . . . 527 . . . 7008 1 301 . 1 1 35 35 ARG HA H 1 3.772 0.003 . . . . . . 527 . . . 7008 1 302 . 1 1 35 35 ARG HB2 H 1 0.769 0.000 . . . . . . 527 . . . 7008 1 303 . 1 1 35 35 ARG HB3 H 1 1.861 0.000 . . . . . . 527 . . . 7008 1 304 . 1 1 35 35 ARG HG2 H 1 1.531 0.000 . . . . . . 527 . . . 7008 1 305 . 1 1 35 35 ARG HG3 H 1 1.531 0.000 . . . . . . 527 . . . 7008 1 306 . 1 1 35 35 ARG HD2 H 1 2.696 0.000 . . . . . . 527 . . . 7008 1 307 . 1 1 35 35 ARG HD3 H 1 3.546 0.000 . . . . . . 527 . . . 7008 1 308 . 1 1 35 35 ARG CA C 13 53.786 0.000 . . . . . . 527 . . . 7008 1 309 . 1 1 35 35 ARG CB C 13 33.592 0.000 . . . . . . 527 . . . 7008 1 310 . 1 1 35 35 ARG CG C 13 24.585 0.000 . . . . . . 527 . . . 7008 1 311 . 1 1 35 35 ARG CD C 13 45.909 0.000 . . . . . . 527 . . . 7008 1 312 . 1 1 35 35 ARG N N 15 123.084 0.000 . . . . . . 527 . . . 7008 1 313 . 1 1 36 36 THR H H 1 8.786 0.000 . . . . . . 528 . . . 7008 1 314 . 1 1 36 36 THR HA H 1 4.725 0.000 . . . . . . 528 . . . 7008 1 315 . 1 1 36 36 THR HB H 1 4.250 0.000 . . . . . . 528 . . . 7008 1 316 . 1 1 36 36 THR HG21 H 1 1.070 0.000 . . . . . . 528 . . . 7008 1 317 . 1 1 36 36 THR HG22 H 1 1.070 0.000 . . . . . . 528 . . . 7008 1 318 . 1 1 36 36 THR HG23 H 1 1.070 0.000 . . . . . . 528 . . . 7008 1 319 . 1 1 36 36 THR CA C 13 60.136 0.000 . . . . . . 528 . . . 7008 1 320 . 1 1 36 36 THR CB C 13 71.465 0.000 . . . . . . 528 . . . 7008 1 321 . 1 1 36 36 THR CG2 C 13 21.356 0.000 . . . . . . 528 . . . 7008 1 322 . 1 1 36 36 THR N N 15 117.972 0.000 . . . . . . 528 . . . 7008 1 323 . 1 1 37 37 SER H H 1 8.720 0.000 . . . . . . 529 . . . 7008 1 324 . 1 1 37 37 SER HA H 1 3.795 0.000 . . . . . . 529 . . . 7008 1 325 . 1 1 37 37 SER HB2 H 1 3.847 0.000 . . . . . . 529 . . . 7008 1 326 . 1 1 37 37 SER HB3 H 1 3.994 0.000 . . . . . . 529 . . . 7008 1 327 . 1 1 37 37 SER CA C 13 62.142 0.000 . . . . . . 529 . . . 7008 1 328 . 1 1 37 37 SER CB C 13 62.919 0.000 . . . . . . 529 . . . 7008 1 329 . 1 1 37 37 SER N N 15 112.385 0.000 . . . . . . 529 . . . 7008 1 330 . 1 1 38 38 GLY H H 1 7.834 0.000 . . . . . . 530 . . . 7008 1 331 . 1 1 38 38 GLY HA2 H 1 3.810 0.000 . . . . . . 530 . . . 7008 1 332 . 1 1 38 38 GLY HA3 H 1 4.149 0.000 . . . . . . 530 . . . 7008 1 333 . 1 1 38 38 GLY CA C 13 45.659 0.000 . . . . . . 530 . . . 7008 1 334 . 1 1 38 38 GLY N N 15 108.952 0.000 . . . . . . 530 . . . 7008 1 335 . 1 1 39 39 ALA H H 1 8.053 0.000 . . . . . . 531 . . . 7008 1 336 . 1 1 39 39 ALA HA H 1 4.579 0.000 . . . . . . 531 . . . 7008 1 337 . 1 1 39 39 ALA HB1 H 1 1.144 0.000 . . . . . . 531 . . . 7008 1 338 . 1 1 39 39 ALA HB2 H 1 1.144 0.000 . . . . . . 531 . . . 7008 1 339 . 1 1 39 39 ALA HB3 H 1 1.144 0.000 . . . . . . 531 . . . 7008 1 340 . 1 1 39 39 ALA CA C 13 49.969 0.000 . . . . . . 531 . . . 7008 1 341 . 1 1 39 39 ALA CB C 13 20.384 0.000 . . . . . . 531 . . . 7008 1 342 . 1 1 39 39 ALA N N 15 121.692 0.000 . . . . . . 531 . . . 7008 1 343 . 1 1 40 40 ARG H H 1 8.097 0.000 . . . . . . 532 . . . 7008 1 344 . 1 1 40 40 ARG HA H 1 4.425 0.000 . . . . . . 532 . . . 7008 1 345 . 1 1 40 40 ARG HB2 H 1 1.539 0.000 . . . . . . 532 . . . 7008 1 346 . 1 1 40 40 ARG HB3 H 1 1.539 0.000 . . . . . . 532 . . . 7008 1 347 . 1 1 40 40 ARG HG2 H 1 1.531 0.000 . . . . . . 532 . . . 7008 1 348 . 1 1 40 40 ARG HG3 H 1 1.589 0.000 . . . . . . 532 . . . 7008 1 349 . 1 1 40 40 ARG HD2 H 1 3.092 0.000 . . . . . . 532 . . . 7008 1 350 . 1 1 40 40 ARG HD3 H 1 3.136 0.000 . . . . . . 532 . . . 7008 1 351 . 1 1 40 40 ARG CA C 13 56.320 0.000 . . . . . . 532 . . . 7008 1 352 . 1 1 40 40 ARG CB C 13 30.484 0.000 . . . . . . 532 . . . 7008 1 353 . 1 1 40 40 ARG CG C 13 26.988 0.000 . . . . . . 532 . . . 7008 1 354 . 1 1 40 40 ARG CD C 13 43.120 0.000 . . . . . . 532 . . . 7008 1 355 . 1 1 40 40 ARG N N 15 119.904 0.000 . . . . . . 532 . . . 7008 1 356 . 1 1 41 41 GLY H H 1 8.852 0.000 . . . . . . 533 . . . 7008 1 357 . 1 1 41 41 GLY HA2 H 1 3.785 0.000 . . . . . . 533 . . . 7008 1 358 . 1 1 41 41 GLY HA3 H 1 4.235 0.000 . . . . . . 533 . . . 7008 1 359 . 1 1 41 41 GLY CA C 13 43.691 0.000 . . . . . . 533 . . . 7008 1 360 . 1 1 41 41 GLY N N 15 112.898 0.000 . . . . . . 533 . . . 7008 1 361 . 1 1 42 42 ASN H H 1 8.449 0.000 . . . . . . 534 . . . 7008 1 362 . 1 1 42 42 ASN HA H 1 5.729 0.000 . . . . . . 534 . . . 7008 1 363 . 1 1 42 42 ASN HB2 H 1 2.755 0.000 . . . . . . 534 . . . 7008 1 364 . 1 1 42 42 ASN HB3 H 1 2.814 0.000 . . . . . . 534 . . . 7008 1 365 . 1 1 42 42 ASN HD21 H 1 7.233 0.000 . . . . . . 534 . . . 7008 1 366 . 1 1 42 42 ASN HD22 H 1 7.628 0.000 . . . . . . 534 . . . 7008 1 367 . 1 1 42 42 ASN CA C 13 51.849 0.000 . . . . . . 534 . . . 7008 1 368 . 1 1 42 42 ASN CB C 13 39.418 0.000 . . . . . . 534 . . . 7008 1 369 . 1 1 42 42 ASN N N 15 119.324 0.000 . . . . . . 534 . . . 7008 1 370 . 1 1 42 42 ASN ND2 N 15 113.060 0.000 . . . . . . 534 . . . 7008 1 371 . 1 1 43 43 VAL H H 1 9.123 0.000 . . . . . . 535 . . . 7008 1 372 . 1 1 43 43 VAL HA H 1 4.880 0.000 . . . . . . 535 . . . 7008 1 373 . 1 1 43 43 VAL HB H 1 1.641 0.000 . . . . . . 535 . . . 7008 1 374 . 1 1 43 43 VAL HG11 H 1 0.484 0.000 . . . . . . 535 . . . 7008 1 375 . 1 1 43 43 VAL HG12 H 1 0.484 0.000 . . . . . . 535 . . . 7008 1 376 . 1 1 43 43 VAL HG13 H 1 0.484 0.000 . . . . . . 535 . . . 7008 1 377 . 1 1 43 43 VAL HG21 H 1 0.923 0.000 . . . . . . 535 . . . 7008 1 378 . 1 1 43 43 VAL HG22 H 1 0.923 0.000 . . . . . . 535 . . . 7008 1 379 . 1 1 43 43 VAL HG23 H 1 0.923 0.000 . . . . . . 535 . . . 7008 1 380 . 1 1 43 43 VAL CA C 13 60.636 0.000 . . . . . . 535 . . . 7008 1 381 . 1 1 43 43 VAL CB C 13 37.117 0.000 . . . . . . 535 . . . 7008 1 382 . 1 1 43 43 VAL CG1 C 13 23.316 0.000 . . . . . . 535 . . . 7008 1 383 . 1 1 43 43 VAL CG2 C 13 22.812 0.000 . . . . . . 535 . . . 7008 1 384 . 1 1 43 43 VAL N N 15 124.241 0.000 . . . . . . 535 . . . 7008 1 385 . 1 1 44 44 ILE H H 1 8.977 0.000 . . . . . . 536 . . . 7008 1 386 . 1 1 44 44 ILE HA H 1 5.159 0.000 . . . . . . 536 . . . 7008 1 387 . 1 1 44 44 ILE HB H 1 1.619 0.000 . . . . . . 536 . . . 7008 1 388 . 1 1 44 44 ILE HG12 H 1 1.129 0.000 . . . . . . 536 . . . 7008 1 389 . 1 1 44 44 ILE HG13 H 1 1.129 0.000 . . . . . . 536 . . . 7008 1 390 . 1 1 44 44 ILE HG21 H 1 0.755 0.000 . . . . . . 536 . . . 7008 1 391 . 1 1 44 44 ILE HG22 H 1 0.755 0.000 . . . . . . 536 . . . 7008 1 392 . 1 1 44 44 ILE HG23 H 1 0.755 0.000 . . . . . . 536 . . . 7008 1 393 . 1 1 44 44 ILE HD11 H 1 0.784 0.000 . . . . . . 536 . . . 7008 1 394 . 1 1 44 44 ILE HD12 H 1 0.784 0.000 . . . . . . 536 . . . 7008 1 395 . 1 1 44 44 ILE HD13 H 1 0.784 0.000 . . . . . . 536 . . . 7008 1 396 . 1 1 44 44 ILE CA C 13 58.866 0.000 . . . . . . 536 . . . 7008 1 397 . 1 1 44 44 ILE CB C 13 39.822 0.000 . . . . . . 536 . . . 7008 1 398 . 1 1 44 44 ILE CG1 C 13 27.890 0.000 . . . . . . 536 . . . 7008 1 399 . 1 1 44 44 ILE CG2 C 13 18.248 0.000 . . . . . . 536 . . . 7008 1 400 . 1 1 44 44 ILE CD1 C 13 12.421 0.000 . . . . . . 536 . . . 7008 1 401 . 1 1 44 44 ILE N N 15 126.653 0.000 . . . . . . 536 . . . 7008 1 402 . 1 1 45 45 VAL H H 1 9.101 0.000 . . . . . . 537 . . . 7008 1 403 . 1 1 45 45 VAL HA H 1 4.382 0.000 . . . . . . 537 . . . 7008 1 404 . 1 1 45 45 VAL HB H 1 2.022 0.000 . . . . . . 537 . . . 7008 1 405 . 1 1 45 45 VAL HG11 H 1 0.850 0.000 . . . . . . 537 . . . 7008 1 406 . 1 1 45 45 VAL HG12 H 1 0.850 0.000 . . . . . . 537 . . . 7008 1 407 . 1 1 45 45 VAL HG13 H 1 0.850 0.000 . . . . . . 537 . . . 7008 1 408 . 1 1 45 45 VAL HG21 H 1 0.052 0.000 . . . . . . 537 . . . 7008 1 409 . 1 1 45 45 VAL HG22 H 1 0.052 0.000 . . . . . . 537 . . . 7008 1 410 . 1 1 45 45 VAL HG23 H 1 0.052 0.000 . . . . . . 537 . . . 7008 1 411 . 1 1 45 45 VAL CA C 13 58.954 0.000 . . . . . . 537 . . . 7008 1 412 . 1 1 45 45 VAL CB C 13 35.145 0.000 . . . . . . 537 . . . 7008 1 413 . 1 1 45 45 VAL CG1 C 13 21.167 0.000 . . . . . . 537 . . . 7008 1 414 . 1 1 45 45 VAL CG2 C 13 21.744 0.000 . . . . . . 537 . . . 7008 1 415 . 1 1 45 45 VAL N N 15 126.653 0.000 . . . . . . 537 . . . 7008 1 416 . 1 1 46 46 PRO HA H 1 5.195 0.000 . . . . . . 538 . . . 7008 1 417 . 1 1 46 46 PRO HB2 H 1 1.956 0.000 . . . . . . 538 . . . 7008 1 418 . 1 1 46 46 PRO HB3 H 1 2.418 0.000 . . . . . . 538 . . . 7008 1 419 . 1 1 46 46 PRO HG2 H 1 1.993 0.000 . . . . . . 538 . . . 7008 1 420 . 1 1 46 46 PRO HG3 H 1 1.993 0.000 . . . . . . 538 . . . 7008 1 421 . 1 1 46 46 PRO HD2 H 1 3.412 0.000 . . . . . . 538 . . . 7008 1 422 . 1 1 46 46 PRO HD3 H 1 3.652 0.000 . . . . . . 538 . . . 7008 1 423 . 1 1 46 46 PRO CA C 13 62.142 0.000 . . . . . . 538 . . . 7008 1 424 . 1 1 46 46 PRO CB C 13 33.009 0.000 . . . . . . 538 . . . 7008 1 425 . 1 1 46 46 PRO CG C 13 27.618 0.000 . . . . . . 538 . . . 7008 1 426 . 1 1 46 46 PRO CD C 13 51.654 0.000 . . . . . . 538 . . . 7008 1 427 . 1 1 47 47 TYR H H 1 8.464 0.000 . . . . . . 539 . . . 7008 1 428 . 1 1 47 47 TYR HA H 1 5.972 0.000 . . . . . . 539 . . . 7008 1 429 . 1 1 47 47 TYR HB2 H 1 2.916 0.000 . . . . . . 539 . . . 7008 1 430 . 1 1 47 47 TYR HB3 H 1 2.916 0.000 . . . . . . 539 . . . 7008 1 431 . 1 1 47 47 TYR HD1 H 1 6.823 0.000 . . . . . . 539 . . . 7008 1 432 . 1 1 47 47 TYR HD2 H 1 6.823 0.000 . . . . . . 539 . . . 7008 1 433 . 1 1 47 47 TYR HE1 H 1 6.544 0.000 . . . . . . 539 . . . 7008 1 434 . 1 1 47 47 TYR HE2 H 1 6.544 0.000 . . . . . . 539 . . . 7008 1 435 . 1 1 47 47 TYR CA C 13 56.325 0.000 . . . . . . 539 . . . 7008 1 436 . 1 1 47 47 TYR CB C 13 43.374 0.000 . . . . . . 539 . . . 7008 1 437 . 1 1 47 47 TYR CD1 C 13 133.352 0.000 . . . . . . 539 . . . 7008 1 438 . 1 1 47 47 TYR CE1 C 13 117.815 0.000 . . . . . . 539 . . . 7008 1 439 . 1 1 47 47 TYR N N 15 115.266 0.000 . . . . . . 539 . . . 7008 1 440 . 1 1 48 48 LYS H H 1 8.757 0.000 . . . . . . 540 . . . 7008 1 441 . 1 1 48 48 LYS HA H 1 5.379 0.000 . . . . . . 540 . . . 7008 1 442 . 1 1 48 48 LYS HB2 H 1 2.198 0.000 . . . . . . 540 . . . 7008 1 443 . 1 1 48 48 LYS HB3 H 1 2.198 0.000 . . . . . . 540 . . . 7008 1 444 . 1 1 48 48 LYS HG2 H 1 1.607 0.000 . . . . . . 540 . . . 7008 1 445 . 1 1 48 48 LYS HG3 H 1 1.607 0.000 . . . . . . 540 . . . 7008 1 446 . 1 1 48 48 LYS HD2 H 1 1.678 0.000 . . . . . . 540 . . . 7008 1 447 . 1 1 48 48 LYS HD3 H 1 1.738 0.000 . . . . . . 540 . . . 7008 1 448 . 1 1 48 48 LYS HE2 H 1 2.960 0.000 . . . . . . 540 . . . 7008 1 449 . 1 1 48 48 LYS HE3 H 1 2.960 0.000 . . . . . . 540 . . . 7008 1 450 . 1 1 48 48 LYS CA C 13 55.927 0.000 . . . . . . 540 . . . 7008 1 451 . 1 1 48 48 LYS CB C 13 35.496 0.000 . . . . . . 540 . . . 7008 1 452 . 1 1 48 48 LYS CG C 13 23.061 0.000 . . . . . . 540 . . . 7008 1 453 . 1 1 48 48 LYS CD C 13 29.666 0.000 . . . . . . 540 . . . 7008 1 454 . 1 1 48 48 LYS CE C 13 42.362 0.000 . . . . . . 540 . . . 7008 1 455 . 1 1 48 48 LYS N N 15 115.181 0.000 . . . . . . 540 . . . 7008 1 456 . 1 1 49 49 THR H H 1 8.112 0.000 . . . . . . 541 . . . 7008 1 457 . 1 1 49 49 THR HA H 1 5.562 0.000 . . . . . . 541 . . . 7008 1 458 . 1 1 49 49 THR HB H 1 4.579 0.000 . . . . . . 541 . . . 7008 1 459 . 1 1 49 49 THR HG21 H 1 1.575 0.000 . . . . . . 541 . . . 7008 1 460 . 1 1 49 49 THR HG22 H 1 1.575 0.000 . . . . . . 541 . . . 7008 1 461 . 1 1 49 49 THR HG23 H 1 1.575 0.000 . . . . . . 541 . . . 7008 1 462 . 1 1 49 49 THR CA C 13 60.391 0.000 . . . . . . 541 . . . 7008 1 463 . 1 1 49 49 THR CB C 13 72.048 0.000 . . . . . . 541 . . . 7008 1 464 . 1 1 49 49 THR CG2 C 13 23.686 0.000 . . . . . . 541 . . . 7008 1 465 . 1 1 49 49 THR N N 15 109.966 0.000 . . . . . . 541 . . . 7008 1 466 . 1 1 50 50 ILE H H 1 9.240 0.000 . . . . . . 542 . . . 7008 1 467 . 1 1 50 50 ILE HA H 1 4.499 0.000 . . . . . . 542 . . . 7008 1 468 . 1 1 50 50 ILE HB H 1 1.817 0.000 . . . . . . 542 . . . 7008 1 469 . 1 1 50 50 ILE HG12 H 1 1.582 0.000 . . . . . . 542 . . . 7008 1 470 . 1 1 50 50 ILE HG13 H 1 1.582 0.000 . . . . . . 542 . . . 7008 1 471 . 1 1 50 50 ILE HG21 H 1 1.223 0.000 . . . . . . 542 . . . 7008 1 472 . 1 1 50 50 ILE HG22 H 1 1.223 0.000 . . . . . . 542 . . . 7008 1 473 . 1 1 50 50 ILE HG23 H 1 1.223 0.000 . . . . . . 542 . . . 7008 1 474 . 1 1 50 50 ILE HD11 H 1 0.887 0.000 . . . . . . 542 . . . 7008 1 475 . 1 1 50 50 ILE HD12 H 1 0.887 0.000 . . . . . . 542 . . . 7008 1 476 . 1 1 50 50 ILE HD13 H 1 0.887 0.000 . . . . . . 542 . . . 7008 1 477 . 1 1 50 50 ILE CA C 13 60.977 0.000 . . . . . . 542 . . . 7008 1 478 . 1 1 50 50 ILE CB C 13 43.115 0.000 . . . . . . 542 . . . 7008 1 479 . 1 1 50 50 ILE CG1 C 13 27.765 0.000 . . . . . . 542 . . . 7008 1 480 . 1 1 50 50 ILE CG2 C 13 17.860 0.000 . . . . . . 542 . . . 7008 1 481 . 1 1 50 50 ILE CD1 C 13 15.140 0.000 . . . . . . 542 . . . 7008 1 482 . 1 1 50 50 ILE N N 15 121.128 0.000 . . . . . . 542 . . . 7008 1 483 . 1 1 51 51 GLU H H 1 9.042 0.000 . . . . . . 543 . . . 7008 1 484 . 1 1 51 51 GLU HA H 1 4.535 0.000 . . . . . . 543 . . . 7008 1 485 . 1 1 51 51 GLU HB2 H 1 2.506 0.000 . . . . . . 543 . . . 7008 1 486 . 1 1 51 51 GLU HB3 H 1 2.579 0.000 . . . . . . 543 . . . 7008 1 487 . 1 1 51 51 GLU HG2 H 1 2.679 0.000 . . . . . . 543 . . . 7008 1 488 . 1 1 51 51 GLU HG3 H 1 2.777 0.000 . . . . . . 543 . . . 7008 1 489 . 1 1 51 51 GLU CA C 13 58.861 0.000 . . . . . . 543 . . . 7008 1 490 . 1 1 51 51 GLU CB C 13 30.679 0.000 . . . . . . 543 . . . 7008 1 491 . 1 1 51 51 GLU CG C 13 37.023 0.000 . . . . . . 543 . . . 7008 1 492 . 1 1 51 51 GLU N N 15 125.300 0.000 . . . . . . 543 . . . 7008 1 493 . 1 1 52 52 GLY H H 1 7.585 0.000 . . . . . . 544 . . . 7008 1 494 . 1 1 52 52 GLY HA2 H 1 3.920 0.000 . . . . . . 544 . . . 7008 1 495 . 1 1 52 52 GLY HA3 H 1 4.778 0.000 . . . . . . 544 . . . 7008 1 496 . 1 1 52 52 GLY CA C 13 46.430 0.000 . . . . . . 544 . . . 7008 1 497 . 1 1 52 52 GLY N N 15 111.036 0.000 . . . . . . 544 . . . 7008 1 498 . 1 1 53 53 THR H H 1 8.456 0.000 . . . . . . 545 . . . 7008 1 499 . 1 1 53 53 THR HA H 1 4.439 0.000 . . . . . . 545 . . . 7008 1 500 . 1 1 53 53 THR HB H 1 4.535 0.000 . . . . . . 545 . . . 7008 1 501 . 1 1 53 53 THR HG21 H 1 1.414 0.000 . . . . . . 545 . . . 7008 1 502 . 1 1 53 53 THR HG22 H 1 1.414 0.000 . . . . . . 545 . . . 7008 1 503 . 1 1 53 53 THR HG23 H 1 1.414 0.000 . . . . . . 545 . . . 7008 1 504 . 1 1 53 53 THR CA C 13 63.168 0.000 . . . . . . 545 . . . 7008 1 505 . 1 1 53 53 THR CB C 13 69.523 0.000 . . . . . . 545 . . . 7008 1 506 . 1 1 53 53 THR CG2 C 13 23.316 0.000 . . . . . . 545 . . . 7008 1 507 . 1 1 53 53 THR N N 15 119.422 0.000 . . . . . . 545 . . . 7008 1 508 . 1 1 54 54 ALA H H 1 9.365 0.000 . . . . . . 546 . . . 7008 1 509 . 1 1 54 54 ALA HA H 1 4.724 0.000 . . . . . . 546 . . . 7008 1 510 . 1 1 54 54 ALA HB1 H 1 1.407 0.000 . . . . . . 546 . . . 7008 1 511 . 1 1 54 54 ALA HB2 H 1 1.407 0.000 . . . . . . 546 . . . 7008 1 512 . 1 1 54 54 ALA HB3 H 1 1.407 0.000 . . . . . . 546 . . . 7008 1 513 . 1 1 54 54 ALA CA C 13 51.072 0.000 . . . . . . 546 . . . 7008 1 514 . 1 1 54 54 ALA CB C 13 19.247 0.000 . . . . . . 546 . . . 7008 1 515 . 1 1 54 54 ALA N N 15 123.947 0.000 . . . . . . 546 . . . 7008 1 516 . 1 1 55 55 ARG H H 1 10.032 0.000 . . . . . . 547 . . . 7008 1 517 . 1 1 55 55 ARG HA H 1 4.531 0.000 . . . . . . 547 . . . 7008 1 518 . 1 1 55 55 ARG HB2 H 1 1.641 0.000 . . . . . . 547 . . . 7008 1 519 . 1 1 55 55 ARG HB3 H 1 1.641 0.000 . . . . . . 547 . . . 7008 1 520 . 1 1 55 55 ARG HG2 H 1 1.707 0.000 . . . . . . 547 . . . 7008 1 521 . 1 1 55 55 ARG HG3 H 1 1.810 0.000 . . . . . . 547 . . . 7008 1 522 . 1 1 55 55 ARG HD2 H 1 3.231 0.000 . . . . . . 547 . . . 7008 1 523 . 1 1 55 55 ARG HD3 H 1 3.231 0.000 . . . . . . 547 . . . 7008 1 524 . 1 1 55 55 ARG CA C 13 54.548 0.000 . . . . . . 547 . . . 7008 1 525 . 1 1 55 55 ARG CB C 13 31.844 0.000 . . . . . . 547 . . . 7008 1 526 . 1 1 55 55 ARG CG C 13 26.988 0.000 . . . . . . 547 . . . 7008 1 527 . 1 1 55 55 ARG CD C 13 42.872 0.000 . . . . . . 547 . . . 7008 1 528 . 1 1 55 55 ARG N N 15 122.892 0.000 . . . . . . 547 . . . 7008 1 529 . 1 1 56 56 GLY H H 1 9.321 0.000 . . . . . . 548 . . . 7008 1 530 . 1 1 56 56 GLY HA2 H 1 2.953 0.000 . . . . . . 548 . . . 7008 1 531 . 1 1 56 56 GLY CA C 13 42.862 0.000 . . . . . . 548 . . . 7008 1 532 . 1 1 56 56 GLY N N 15 112.964 0.000 . . . . . . 548 . . . 7008 1 533 . 1 1 57 57 GLY H H 1 9.218 0.000 . . . . . . 549 . . . 7008 1 534 . 1 1 57 57 GLY HA2 H 1 3.823 0.000 . . . . . . 549 . . . 7008 1 535 . 1 1 57 57 GLY HA3 H 1 3.898 0.000 . . . . . . 549 . . . 7008 1 536 . 1 1 57 57 GLY CA C 13 46.924 0.000 . . . . . . 549 . . . 7008 1 537 . 1 1 57 57 GLY N N 15 111.518 0.000 . . . . . . 549 . . . 7008 1 538 . 1 1 58 58 GLY H H 1 7.877 0.000 . . . . . . 550 . . . 7008 1 539 . 1 1 58 58 GLY HA2 H 1 2.931 0.000 . . . . . . 550 . . . 7008 1 540 . 1 1 58 58 GLY HA3 H 1 4.198 0.000 . . . . . . 550 . . . 7008 1 541 . 1 1 58 58 GLY CA C 13 44.899 0.000 . . . . . . 550 . . . 7008 1 542 . 1 1 58 58 GLY N N 15 104.193 0.000 . . . . . . 550 . . . 7008 1 543 . 1 1 59 59 GLU H H 1 7.214 0.000 . . . . . . 551 . . . 7008 1 544 . 1 1 59 59 GLU HA H 1 4.245 0.000 . . . . . . 551 . . . 7008 1 545 . 1 1 59 59 GLU HB2 H 1 1.891 0.000 . . . . . . 551 . . . 7008 1 546 . 1 1 59 59 GLU HB3 H 1 1.978 0.000 . . . . . . 551 . . . 7008 1 547 . 1 1 59 59 GLU HG2 H 1 2.198 0.000 . . . . . . 551 . . . 7008 1 548 . 1 1 59 59 GLU HG3 H 1 2.198 0.000 . . . . . . 551 . . . 7008 1 549 . 1 1 59 59 GLU CA C 13 58.452 0.000 . . . . . . 551 . . . 7008 1 550 . 1 1 59 59 GLU CB C 13 28.637 0.000 . . . . . . 551 . . . 7008 1 551 . 1 1 59 59 GLU CG C 13 35.511 0.000 . . . . . . 551 . . . 7008 1 552 . 1 1 59 59 GLU N N 15 121.128 0.000 . . . . . . 551 . . . 7008 1 553 . 1 1 60 60 ASP H H 1 8.544 0.000 . . . . . . 552 . . . 7008 1 554 . 1 1 60 60 ASP HA H 1 5.166 0.000 . . . . . . 552 . . . 7008 1 555 . 1 1 60 60 ASP HB2 H 1 2.865 0.000 . . . . . . 552 . . . 7008 1 556 . 1 1 60 60 ASP HB3 H 1 3.224 0.000 . . . . . . 552 . . . 7008 1 557 . 1 1 60 60 ASP CA C 13 55.311 0.000 . . . . . . 552 . . . 7008 1 558 . 1 1 60 60 ASP CB C 13 42.332 0.000 . . . . . . 552 . . . 7008 1 559 . 1 1 60 60 ASP N N 15 113.913 0.000 . . . . . . 552 . . . 7008 1 560 . 1 1 61 61 PHE H H 1 7.775 0.000 . . . . . . 553 . . . 7008 1 561 . 1 1 61 61 PHE HA H 1 4.938 0.000 . . . . . . 553 . . . 7008 1 562 . 1 1 61 61 PHE HB2 H 1 2.557 0.000 . . . . . . 553 . . . 7008 1 563 . 1 1 61 61 PHE HB3 H 1 2.645 0.000 . . . . . . 553 . . . 7008 1 564 . 1 1 61 61 PHE HD1 H 1 6.361 0.000 . . . . . . 553 . . . 7008 1 565 . 1 1 61 61 PHE HD2 H 1 6.361 0.000 . . . . . . 553 . . . 7008 1 566 . 1 1 61 61 PHE HE1 H 1 7.013 0.000 . . . . . . 553 . . . 7008 1 567 . 1 1 61 61 PHE HE2 H 1 7.013 0.000 . . . . . . 553 . . . 7008 1 568 . 1 1 61 61 PHE HZ H 1 6.918 0.000 . . . . . . 553 . . . 7008 1 569 . 1 1 61 61 PHE CA C 13 56.578 0.000 . . . . . . 553 . . . 7008 1 570 . 1 1 61 61 PHE CB C 13 39.418 0.000 . . . . . . 553 . . . 7008 1 571 . 1 1 61 61 PHE CD1 C 13 131.798 0.000 . . . . . . 553 . . . 7008 1 572 . 1 1 61 61 PHE CE1 C 13 130.050 0.000 . . . . . . 553 . . . 7008 1 573 . 1 1 61 61 PHE CZ C 13 128.303 0.000 . . . . . . 553 . . . 7008 1 574 . 1 1 61 61 PHE N N 15 117.408 0.000 . . . . . . 553 . . . 7008 1 575 . 1 1 62 62 GLU H H 1 8.141 0.000 . . . . . . 554 . . . 7008 1 576 . 1 1 62 62 GLU HA H 1 4.245 0.000 . . . . . . 554 . . . 7008 1 577 . 1 1 62 62 GLU HB2 H 1 1.905 0.000 . . . . . . 554 . . . 7008 1 578 . 1 1 62 62 GLU HB3 H 1 2.161 0.000 . . . . . . 554 . . . 7008 1 579 . 1 1 62 62 GLU HG2 H 1 2.095 0.000 . . . . . . 554 . . . 7008 1 580 . 1 1 62 62 GLU HG3 H 1 2.198 0.000 . . . . . . 554 . . . 7008 1 581 . 1 1 62 62 GLU CA C 13 55.150 0.000 . . . . . . 554 . . . 7008 1 582 . 1 1 62 62 GLU CB C 13 31.187 0.000 . . . . . . 554 . . . 7008 1 583 . 1 1 62 62 GLU CG C 13 36.511 0.000 . . . . . . 554 . . . 7008 1 584 . 1 1 62 62 GLU N N 15 119.807 0.000 . . . . . . 554 . . . 7008 1 585 . 1 1 63 63 ASP H H 1 8.361 0.000 . . . . . . 555 . . . 7008 1 586 . 1 1 63 63 ASP HA H 1 4.557 0.000 . . . . . . 555 . . . 7008 1 587 . 1 1 63 63 ASP HB2 H 1 2.510 0.000 . . . . . . 555 . . . 7008 1 588 . 1 1 63 63 ASP HB3 H 1 2.718 0.000 . . . . . . 555 . . . 7008 1 589 . 1 1 63 63 ASP CA C 13 55.150 0.000 . . . . . . 555 . . . 7008 1 590 . 1 1 63 63 ASP CB C 13 40.972 0.000 . . . . . . 555 . . . 7008 1 591 . 1 1 63 63 ASP N N 15 125.205 0.000 . . . . . . 555 . . . 7008 1 592 . 1 1 64 64 THR H H 1 8.654 0.000 . . . . . . 556 . . . 7008 1 593 . 1 1 64 64 THR HA H 1 4.873 0.000 . . . . . . 556 . . . 7008 1 594 . 1 1 64 64 THR HB H 1 4.308 0.000 . . . . . . 556 . . . 7008 1 595 . 1 1 64 64 THR HG21 H 1 1.516 0.000 . . . . . . 556 . . . 7008 1 596 . 1 1 64 64 THR HG22 H 1 1.516 0.000 . . . . . . 556 . . . 7008 1 597 . 1 1 64 64 THR HG23 H 1 1.516 0.000 . . . . . . 556 . . . 7008 1 598 . 1 1 64 64 THR CA C 13 62.160 0.000 . . . . . . 556 . . . 7008 1 599 . 1 1 64 64 THR CB C 13 70.688 0.000 . . . . . . 556 . . . 7008 1 600 . 1 1 64 64 THR CG2 C 13 20.262 0.000 . . . . . . 556 . . . 7008 1 601 . 1 1 64 64 THR N N 15 118.197 0.000 . . . . . . 556 . . . 7008 1 602 . 1 1 65 65 CYS H H 1 8.171 0.000 . . . . . . 557 . . . 7008 1 603 . 1 1 65 65 CYS HA H 1 4.953 0.000 . . . . . . 557 . . . 7008 1 604 . 1 1 65 65 CYS HB2 H 1 3.129 0.000 . . . . . . 557 . . . 7008 1 605 . 1 1 65 65 CYS HB3 H 1 3.158 0.000 . . . . . . 557 . . . 7008 1 606 . 1 1 65 65 CYS CA C 13 55.927 0.000 . . . . . . 557 . . . 7008 1 607 . 1 1 65 65 CYS CB C 13 29.916 0.000 . . . . . . 557 . . . 7008 1 608 . 1 1 65 65 CYS N N 15 121.446 0.000 . . . . . . 557 . . . 7008 1 609 . 1 1 66 66 GLY H H 1 7.233 0.000 . . . . . . 558 . . . 7008 1 610 . 1 1 66 66 GLY HA2 H 1 3.920 0.000 . . . . . . 558 . . . 7008 1 611 . 1 1 66 66 GLY HA3 H 1 3.971 0.000 . . . . . . 558 . . . 7008 1 612 . 1 1 66 66 GLY CA C 13 45.413 0.000 . . . . . . 558 . . . 7008 1 613 . 1 1 66 66 GLY N N 15 108.723 0.000 . . . . . . 558 . . . 7008 1 614 . 1 1 67 67 GLU H H 1 8.566 0.000 . . . . . . 559 . . . 7008 1 615 . 1 1 67 67 GLU HA H 1 4.851 0.000 . . . . . . 559 . . . 7008 1 616 . 1 1 67 67 GLU HB2 H 1 1.883 0.000 . . . . . . 559 . . . 7008 1 617 . 1 1 67 67 GLU HB3 H 1 1.883 0.000 . . . . . . 559 . . . 7008 1 618 . 1 1 67 67 GLU HG2 H 1 1.924 0.000 . . . . . . 559 . . . 7008 1 619 . 1 1 67 67 GLU HG3 H 1 2.216 0.000 . . . . . . 559 . . . 7008 1 620 . 1 1 67 67 GLU CA C 13 55.387 0.000 . . . . . . 559 . . . 7008 1 621 . 1 1 67 67 GLU CB C 13 33.030 0.000 . . . . . . 559 . . . 7008 1 622 . 1 1 67 67 GLU CG C 13 36.772 0.000 . . . . . . 559 . . . 7008 1 623 . 1 1 67 67 GLU N N 15 119.775 0.000 . . . . . . 559 . . . 7008 1 624 . 1 1 68 68 LEU H H 1 9.196 0.000 . . . . . . 560 . . . 7008 1 625 . 1 1 68 68 LEU HA H 1 4.654 0.000 . . . . . . 560 . . . 7008 1 626 . 1 1 68 68 LEU HB2 H 1 1.253 0.000 . . . . . . 560 . . . 7008 1 627 . 1 1 68 68 LEU HB3 H 1 2.052 0.000 . . . . . . 560 . . . 7008 1 628 . 1 1 68 68 LEU HG H 1 1.840 0.000 . . . . . . 560 . . . 7008 1 629 . 1 1 68 68 LEU HD11 H 1 0.740 0.000 . . . . . . 560 . . . 7008 1 630 . 1 1 68 68 LEU HD12 H 1 0.740 0.000 . . . . . . 560 . . . 7008 1 631 . 1 1 68 68 LEU HD13 H 1 0.740 0.000 . . . . . . 560 . . . 7008 1 632 . 1 1 68 68 LEU HD21 H 1 0.703 0.000 . . . . . . 560 . . . 7008 1 633 . 1 1 68 68 LEU HD22 H 1 0.703 0.000 . . . . . . 560 . . . 7008 1 634 . 1 1 68 68 LEU HD23 H 1 0.703 0.000 . . . . . . 560 . . . 7008 1 635 . 1 1 68 68 LEU CA C 13 53.528 0.000 . . . . . . 560 . . . 7008 1 636 . 1 1 68 68 LEU CB C 13 44.904 0.000 . . . . . . 560 . . . 7008 1 637 . 1 1 68 68 LEU CG C 13 26.211 0.000 . . . . . . 560 . . . 7008 1 638 . 1 1 68 68 LEU CD1 C 13 25.087 0.000 . . . . . . 560 . . . 7008 1 639 . 1 1 68 68 LEU CD2 C 13 23.314 0.000 . . . . . . 560 . . . 7008 1 640 . 1 1 68 68 LEU N N 15 125.108 0.000 . . . . . . 560 . . . 7008 1 641 . 1 1 69 69 GLU H H 1 8.720 0.000 . . . . . . 561 . . . 7008 1 642 . 1 1 69 69 GLU HA H 1 4.999 0.000 . . . . . . 561 . . . 7008 1 643 . 1 1 69 69 GLU HB2 H 1 1.840 0.000 . . . . . . 561 . . . 7008 1 644 . 1 1 69 69 GLU HB3 H 1 2.029 0.000 . . . . . . 561 . . . 7008 1 645 . 1 1 69 69 GLU HG2 H 1 1.905 0.000 . . . . . . 561 . . . 7008 1 646 . 1 1 69 69 GLU HG3 H 1 2.038 0.000 . . . . . . 561 . . . 7008 1 647 . 1 1 69 69 GLU CA C 13 55.150 0.000 . . . . . . 561 . . . 7008 1 648 . 1 1 69 69 GLU CB C 13 30.932 0.000 . . . . . . 561 . . . 7008 1 649 . 1 1 69 69 GLU CG C 13 36.311 0.000 . . . . . . 561 . . . 7008 1 650 . 1 1 69 69 GLU N N 15 124.060 0.000 . . . . . . 561 . . . 7008 1 651 . 1 1 70 70 PHE H H 1 9.687 0.000 . . . . . . 562 . . . 7008 1 652 . 1 1 70 70 PHE HA H 1 4.660 0.000 . . . . . . 562 . . . 7008 1 653 . 1 1 70 70 PHE HB2 H 1 3.085 0.000 . . . . . . 562 . . . 7008 1 654 . 1 1 70 70 PHE HB3 H 1 3.128 0.000 . . . . . . 562 . . . 7008 1 655 . 1 1 70 70 PHE HD1 H 1 7.255 0.000 . . . . . . 562 . . . 7008 1 656 . 1 1 70 70 PHE HD2 H 1 7.255 0.000 . . . . . . 562 . . . 7008 1 657 . 1 1 70 70 PHE HE1 H 1 7.027 0.000 . . . . . . 562 . . . 7008 1 658 . 1 1 70 70 PHE HE2 H 1 7.027 0.000 . . . . . . 562 . . . 7008 1 659 . 1 1 70 70 PHE CA C 13 57.093 0.000 . . . . . . 562 . . . 7008 1 660 . 1 1 70 70 PHE CB C 13 40.001 0.000 . . . . . . 562 . . . 7008 1 661 . 1 1 70 70 PHE CD1 C 13 132.575 0.000 . . . . . . 562 . . . 7008 1 662 . 1 1 70 70 PHE N N 15 126.940 0.000 . . . . . . 562 . . . 7008 1 663 . 1 1 71 71 GLN H H 1 9.533 0.000 . . . . . . 563 . . . 7008 1 664 . 1 1 71 71 GLN HA H 1 4.667 0.000 . . . . . . 563 . . . 7008 1 665 . 1 1 71 71 GLN HB2 H 1 1.868 0.000 . . . . . . 563 . . . 7008 1 666 . 1 1 71 71 GLN HB3 H 1 2.367 0.000 . . . . . . 563 . . . 7008 1 667 . 1 1 71 71 GLN HG2 H 1 2.421 0.000 . . . . . . 563 . . . 7008 1 668 . 1 1 71 71 GLN HG3 H 1 2.557 0.000 . . . . . . 563 . . . 7008 1 669 . 1 1 71 71 GLN HE21 H 1 6.793 0.000 . . . . . . 563 . . . 7008 1 670 . 1 1 71 71 GLN HE22 H 1 7.566 0.000 . . . . . . 563 . . . 7008 1 671 . 1 1 71 71 GLN CA C 13 54.632 0.000 . . . . . . 563 . . . 7008 1 672 . 1 1 71 71 GLN CB C 13 29.901 0.000 . . . . . . 563 . . . 7008 1 673 . 1 1 71 71 GLN CG C 13 34.368 0.000 . . . . . . 563 . . . 7008 1 674 . 1 1 71 71 GLN N N 15 121.736 0.000 . . . . . . 563 . . . 7008 1 675 . 1 1 71 71 GLN NE2 N 15 112.385 0.000 . . . . . . 563 . . . 7008 1 676 . 1 1 72 72 ASN H H 1 8.214 0.000 . . . . . . 564 . . . 7008 1 677 . 1 1 72 72 ASN HA H 1 4.630 0.000 . . . . . . 564 . . . 7008 1 678 . 1 1 72 72 ASN HB2 H 1 2.630 0.000 . . . . . . 564 . . . 7008 1 679 . 1 1 72 72 ASN HB3 H 1 2.755 0.000 . . . . . . 564 . . . 7008 1 680 . 1 1 72 72 ASN CA C 13 56.319 0.000 . . . . . . 564 . . . 7008 1 681 . 1 1 72 72 ASN CB C 13 40.195 0.000 . . . . . . 564 . . . 7008 1 682 . 1 1 72 72 ASN N N 15 121.060 0.000 . . . . . . 564 . . . 7008 1 683 . 1 1 73 73 ASP H H 1 9.533 0.000 . . . . . . 565 . . . 7008 1 684 . 1 1 73 73 ASP HA H 1 4.374 0.000 . . . . . . 565 . . . 7008 1 685 . 1 1 73 73 ASP HB2 H 1 2.960 0.000 . . . . . . 565 . . . 7008 1 686 . 1 1 73 73 ASP HB3 H 1 3.077 0.000 . . . . . . 565 . . . 7008 1 687 . 1 1 73 73 ASP CA C 13 57.846 0.000 . . . . . . 565 . . . 7008 1 688 . 1 1 73 73 ASP CB C 13 40.072 0.000 . . . . . . 565 . . . 7008 1 689 . 1 1 73 73 ASP N N 15 118.940 0.000 . . . . . . 565 . . . 7008 1 690 . 1 1 74 74 GLU H H 1 8.192 0.000 . . . . . . 566 . . . 7008 1 691 . 1 1 74 74 GLU HA H 1 4.652 0.000 . . . . . . 566 . . . 7008 1 692 . 1 1 74 74 GLU HB2 H 1 2.242 0.000 . . . . . . 566 . . . 7008 1 693 . 1 1 74 74 GLU HB3 H 1 2.346 0.000 . . . . . . 566 . . . 7008 1 694 . 1 1 74 74 GLU HG2 H 1 2.235 0.000 . . . . . . 566 . . . 7008 1 695 . 1 1 74 74 GLU HG3 H 1 2.404 0.000 . . . . . . 566 . . . 7008 1 696 . 1 1 74 74 GLU CA C 13 57.087 0.000 . . . . . . 566 . . . 7008 1 697 . 1 1 74 74 GLU CB C 13 31.703 0.000 . . . . . . 566 . . . 7008 1 698 . 1 1 74 74 GLU CG C 13 37.276 0.000 . . . . . . 566 . . . 7008 1 699 . 1 1 74 74 GLU N N 15 121.354 0.000 . . . . . . 566 . . . 7008 1 700 . 1 1 75 75 ILE H H 1 8.727 0.000 . . . . . . 567 . . . 7008 1 701 . 1 1 75 75 ILE HA H 1 4.960 0.000 . . . . . . 567 . . . 7008 1 702 . 1 1 75 75 ILE HB H 1 2.580 0.000 . . . . . . 567 . . . 7008 1 703 . 1 1 75 75 ILE HG12 H 1 1.275 0.000 . . . . . . 567 . . . 7008 1 704 . 1 1 75 75 ILE HG13 H 1 1.414 0.000 . . . . . . 567 . . . 7008 1 705 . 1 1 75 75 ILE HG21 H 1 0.865 0.000 . . . . . . 567 . . . 7008 1 706 . 1 1 75 75 ILE HG22 H 1 0.865 0.000 . . . . . . 567 . . . 7008 1 707 . 1 1 75 75 ILE HG23 H 1 0.865 0.000 . . . . . . 567 . . . 7008 1 708 . 1 1 75 75 ILE HD11 H 1 0.945 0.000 . . . . . . 567 . . . 7008 1 709 . 1 1 75 75 ILE HD12 H 1 0.945 0.000 . . . . . . 567 . . . 7008 1 710 . 1 1 75 75 ILE HD13 H 1 0.945 0.000 . . . . . . 567 . . . 7008 1 711 . 1 1 75 75 ILE CA C 13 62.164 0.000 . . . . . . 567 . . . 7008 1 712 . 1 1 75 75 ILE CB C 13 39.612 0.000 . . . . . . 567 . . . 7008 1 713 . 1 1 75 75 ILE CG1 C 13 25.823 0.000 . . . . . . 567 . . . 7008 1 714 . 1 1 75 75 ILE CG2 C 13 18.636 0.000 . . . . . . 567 . . . 7008 1 715 . 1 1 75 75 ILE CD1 C 13 13.921 0.000 . . . . . . 567 . . . 7008 1 716 . 1 1 75 75 ILE N N 15 115.604 0.000 . . . . . . 567 . . . 7008 1 717 . 1 1 76 76 VAL H H 1 7.548 0.000 . . . . . . 568 . . . 7008 1 718 . 1 1 76 76 VAL HA H 1 5.466 0.000 . . . . . . 568 . . . 7008 1 719 . 1 1 76 76 VAL HB H 1 2.206 0.000 . . . . . . 568 . . . 7008 1 720 . 1 1 76 76 VAL HG11 H 1 0.923 0.000 . . . . . . 568 . . . 7008 1 721 . 1 1 76 76 VAL HG12 H 1 0.923 0.000 . . . . . . 568 . . . 7008 1 722 . 1 1 76 76 VAL HG13 H 1 0.923 0.000 . . . . . . 568 . . . 7008 1 723 . 1 1 76 76 VAL HG21 H 1 1.033 0.000 . . . . . . 568 . . . 7008 1 724 . 1 1 76 76 VAL HG22 H 1 1.033 0.000 . . . . . . 568 . . . 7008 1 725 . 1 1 76 76 VAL HG23 H 1 1.033 0.000 . . . . . . 568 . . . 7008 1 726 . 1 1 76 76 VAL CA C 13 61.154 0.000 . . . . . . 568 . . . 7008 1 727 . 1 1 76 76 VAL CB C 13 34.742 0.000 . . . . . . 568 . . . 7008 1 728 . 1 1 76 76 VAL CG1 C 13 19.608 0.000 . . . . . . 568 . . . 7008 1 729 . 1 1 76 76 VAL CG2 C 13 22.045 0.000 . . . . . . 568 . . . 7008 1 730 . 1 1 76 76 VAL N N 15 119.437 0.000 . . . . . . 568 . . . 7008 1 731 . 1 1 77 77 LYS H H 1 8.339 0.000 . . . . . . 569 . . . 7008 1 732 . 1 1 77 77 LYS HA H 1 4.617 0.000 . . . . . . 569 . . . 7008 1 733 . 1 1 77 77 LYS HB2 H 1 1.033 0.000 . . . . . . 569 . . . 7008 1 734 . 1 1 77 77 LYS HB3 H 1 1.575 0.000 . . . . . . 569 . . . 7008 1 735 . 1 1 77 77 LYS HG2 H 1 0.322 0.000 . . . . . . 569 . . . 7008 1 736 . 1 1 77 77 LYS HG3 H 1 0.454 0.000 . . . . . . 569 . . . 7008 1 737 . 1 1 77 77 LYS HD2 H 1 1.304 0.000 . . . . . . 569 . . . 7008 1 738 . 1 1 77 77 LYS HD3 H 1 1.429 0.000 . . . . . . 569 . . . 7008 1 739 . 1 1 77 77 LYS HE2 H 1 2.916 0.000 . . . . . . 569 . . . 7008 1 740 . 1 1 77 77 LYS HE3 H 1 2.916 0.000 . . . . . . 569 . . . 7008 1 741 . 1 1 77 77 LYS CA C 13 53.791 0.000 . . . . . . 569 . . . 7008 1 742 . 1 1 77 77 LYS CB C 13 37.534 0.000 . . . . . . 569 . . . 7008 1 743 . 1 1 77 77 LYS CG C 13 23.561 0.000 . . . . . . 569 . . . 7008 1 744 . 1 1 77 77 LYS CD C 13 27.182 0.000 . . . . . . 569 . . . 7008 1 745 . 1 1 77 77 LYS CE C 13 42.110 0.000 . . . . . . 569 . . . 7008 1 746 . 1 1 77 77 LYS N N 15 125.012 0.000 . . . . . . 569 . . . 7008 1 747 . 1 1 78 78 THR H H 1 7.929 0.000 . . . . . . 570 . . . 7008 1 748 . 1 1 78 78 THR HA H 1 5.349 0.000 . . . . . . 570 . . . 7008 1 749 . 1 1 78 78 THR HB H 1 3.876 0.000 . . . . . . 570 . . . 7008 1 750 . 1 1 78 78 THR HG21 H 1 0.982 0.000 . . . . . . 570 . . . 7008 1 751 . 1 1 78 78 THR HG22 H 1 0.982 0.000 . . . . . . 570 . . . 7008 1 752 . 1 1 78 78 THR HG23 H 1 0.982 0.000 . . . . . . 570 . . . 7008 1 753 . 1 1 78 78 THR CA C 13 60.006 0.000 . . . . . . 570 . . . 7008 1 754 . 1 1 78 78 THR CB C 13 71.659 0.000 . . . . . . 570 . . . 7008 1 755 . 1 1 78 78 THR CG2 C 13 21.938 0.000 . . . . . . 570 . . . 7008 1 756 . 1 1 78 78 THR N N 15 110.458 0.000 . . . . . . 570 . . . 7008 1 757 . 1 1 79 79 ILE H H 1 8.940 0.000 . . . . . . 571 . . . 7008 1 758 . 1 1 79 79 ILE HA H 1 3.876 0.000 . . . . . . 571 . . . 7008 1 759 . 1 1 79 79 ILE HB H 1 1.224 0.000 . . . . . . 571 . . . 7008 1 760 . 1 1 79 79 ILE HG21 H 1 0.447 0.000 . . . . . . 571 . . . 7008 1 761 . 1 1 79 79 ILE HG22 H 1 0.447 0.000 . . . . . . 571 . . . 7008 1 762 . 1 1 79 79 ILE HG23 H 1 0.447 0.000 . . . . . . 571 . . . 7008 1 763 . 1 1 79 79 ILE HD11 H 1 0.396 0.000 . . . . . . 571 . . . 7008 1 764 . 1 1 79 79 ILE HD12 H 1 0.396 0.000 . . . . . . 571 . . . 7008 1 765 . 1 1 79 79 ILE HD13 H 1 0.396 0.000 . . . . . . 571 . . . 7008 1 766 . 1 1 79 79 ILE CA C 13 60.650 0.000 . . . . . . 571 . . . 7008 1 767 . 1 1 79 79 ILE CB C 13 41.348 0.000 . . . . . . 571 . . . 7008 1 768 . 1 1 79 79 ILE CG1 C 13 27.765 0.000 . . . . . . 571 . . . 7008 1 769 . 1 1 79 79 ILE CG2 C 13 17.985 0.000 . . . . . . 571 . . . 7008 1 770 . 1 1 79 79 ILE CD1 C 13 15.335 0.000 . . . . . . 571 . . . 7008 1 771 . 1 1 79 79 ILE N N 15 122.988 0.000 . . . . . . 571 . . . 7008 1 772 . 1 1 80 80 SER H H 1 8.126 0.000 . . . . . . 572 . . . 7008 1 773 . 1 1 80 80 SER HA H 1 5.642 0.000 . . . . . . 572 . . . 7008 1 774 . 1 1 80 80 SER HB2 H 1 3.663 0.000 . . . . . . 572 . . . 7008 1 775 . 1 1 80 80 SER HB3 H 1 3.663 0.000 . . . . . . 572 . . . 7008 1 776 . 1 1 80 80 SER CA C 13 57.088 0.000 . . . . . . 572 . . . 7008 1 777 . 1 1 80 80 SER CB C 13 64.861 0.000 . . . . . . 572 . . . 7008 1 778 . 1 1 80 80 SER N N 15 122.025 0.000 . . . . . . 572 . . . 7008 1 779 . 1 1 81 81 VAL H H 1 8.779 0.000 . . . . . . 573 . . . 7008 1 780 . 1 1 81 81 VAL HA H 1 4.609 0.000 . . . . . . 573 . . . 7008 1 781 . 1 1 81 81 VAL HB H 1 1.913 0.000 . . . . . . 573 . . . 7008 1 782 . 1 1 81 81 VAL HG11 H 1 1.040 0.000 . . . . . . 573 . . . 7008 1 783 . 1 1 81 81 VAL HG12 H 1 1.040 0.000 . . . . . . 573 . . . 7008 1 784 . 1 1 81 81 VAL HG13 H 1 1.040 0.000 . . . . . . 573 . . . 7008 1 785 . 1 1 81 81 VAL HG21 H 1 0.865 0.000 . . . . . . 573 . . . 7008 1 786 . 1 1 81 81 VAL HG22 H 1 0.865 0.000 . . . . . . 573 . . . 7008 1 787 . 1 1 81 81 VAL HG23 H 1 0.865 0.000 . . . . . . 573 . . . 7008 1 788 . 1 1 81 81 VAL CA C 13 60.731 0.000 . . . . . . 573 . . . 7008 1 789 . 1 1 81 81 VAL CB C 13 36.116 0.000 . . . . . . 573 . . . 7008 1 790 . 1 1 81 81 VAL CG1 C 13 20.967 0.000 . . . . . . 573 . . . 7008 1 791 . 1 1 81 81 VAL CG2 C 13 21.537 0.000 . . . . . . 573 . . . 7008 1 792 . 1 1 81 81 VAL N N 15 123.181 0.000 . . . . . . 573 . . . 7008 1 793 . 1 1 82 82 LYS H H 1 9.284 0.000 . . . . . . 574 . . . 7008 1 794 . 1 1 82 82 LYS HA H 1 4.652 0.000 . . . . . . 574 . . . 7008 1 795 . 1 1 82 82 LYS HB2 H 1 1.656 0.000 . . . . . . 574 . . . 7008 1 796 . 1 1 82 82 LYS HB3 H 1 1.759 0.000 . . . . . . 574 . . . 7008 1 797 . 1 1 82 82 LYS HG2 H 1 1.211 0.000 . . . . . . 574 . . . 7008 1 798 . 1 1 82 82 LYS HG3 H 1 1.393 0.000 . . . . . . 574 . . . 7008 1 799 . 1 1 82 82 LYS HD2 H 1 1.641 0.000 . . . . . . 574 . . . 7008 1 800 . 1 1 82 82 LYS HD3 H 1 1.641 0.000 . . . . . . 574 . . . 7008 1 801 . 1 1 82 82 LYS HE2 H 1 2.953 0.000 . . . . . . 574 . . . 7008 1 802 . 1 1 82 82 LYS HE3 H 1 2.953 0.000 . . . . . . 574 . . . 7008 1 803 . 1 1 82 82 LYS CA C 13 57.084 0.000 . . . . . . 574 . . . 7008 1 804 . 1 1 82 82 LYS CB C 13 33.209 0.000 . . . . . . 574 . . . 7008 1 805 . 1 1 82 82 LYS CG C 13 25.341 0.000 . . . . . . 574 . . . 7008 1 806 . 1 1 82 82 LYS CD C 13 29.319 0.000 . . . . . . 574 . . . 7008 1 807 . 1 1 82 82 LYS N N 15 129.134 0.000 . . . . . . 574 . . . 7008 1 808 . 1 1 83 83 VAL H H 1 8.288 0.000 . . . . . . 575 . . . 7008 1 809 . 1 1 83 83 VAL HA H 1 4.111 0.000 . . . . . . 575 . . . 7008 1 810 . 1 1 83 83 VAL HB H 1 1.795 0.000 . . . . . . 575 . . . 7008 1 811 . 1 1 83 83 VAL HG11 H 1 1.077 0.000 . . . . . . 575 . . . 7008 1 812 . 1 1 83 83 VAL HG12 H 1 1.077 0.000 . . . . . . 575 . . . 7008 1 813 . 1 1 83 83 VAL HG13 H 1 1.077 0.000 . . . . . . 575 . . . 7008 1 814 . 1 1 83 83 VAL HG21 H 1 0.872 0.000 . . . . . . 575 . . . 7008 1 815 . 1 1 83 83 VAL HG22 H 1 0.872 0.000 . . . . . . 575 . . . 7008 1 816 . 1 1 83 83 VAL HG23 H 1 0.872 0.000 . . . . . . 575 . . . 7008 1 817 . 1 1 83 83 VAL CA C 13 62.417 0.000 . . . . . . 575 . . . 7008 1 818 . 1 1 83 83 VAL CB C 13 34.327 0.000 . . . . . . 575 . . . 7008 1 819 . 1 1 83 83 VAL CG1 C 13 21.550 0.000 . . . . . . 575 . . . 7008 1 820 . 1 1 83 83 VAL CG2 C 13 21.550 0.000 . . . . . . 575 . . . 7008 1 821 . 1 1 83 83 VAL N N 15 128.457 0.000 . . . . . . 575 . . . 7008 1 822 . 1 1 84 84 ILE H H 1 8.002 0.000 . . . . . . 576 . . . 7008 1 823 . 1 1 84 84 ILE HA H 1 4.293 0.000 . . . . . . 576 . . . 7008 1 824 . 1 1 84 84 ILE HB H 1 1.678 0.000 . . . . . . 576 . . . 7008 1 825 . 1 1 84 84 ILE HG12 H 1 0.939 0.000 . . . . . . 576 . . . 7008 1 826 . 1 1 84 84 ILE HG13 H 1 1.062 0.000 . . . . . . 576 . . . 7008 1 827 . 1 1 84 84 ILE HG21 H 1 0.960 0.000 . . . . . . 576 . . . 7008 1 828 . 1 1 84 84 ILE HG22 H 1 0.960 0.000 . . . . . . 576 . . . 7008 1 829 . 1 1 84 84 ILE HG23 H 1 0.960 0.000 . . . . . . 576 . . . 7008 1 830 . 1 1 84 84 ILE HD11 H 1 0.531 0.000 . . . . . . 576 . . . 7008 1 831 . 1 1 84 84 ILE HD12 H 1 0.531 0.000 . . . . . . 576 . . . 7008 1 832 . 1 1 84 84 ILE HD13 H 1 0.531 0.000 . . . . . . 576 . . . 7008 1 833 . 1 1 84 84 ILE CA C 13 59.881 0.000 . . . . . . 576 . . . 7008 1 834 . 1 1 84 84 ILE CB C 13 37.670 0.000 . . . . . . 576 . . . 7008 1 835 . 1 1 84 84 ILE CG1 C 13 26.794 0.000 . . . . . . 576 . . . 7008 1 836 . 1 1 84 84 ILE CG2 C 13 17.472 0.000 . . . . . . 576 . . . 7008 1 837 . 1 1 84 84 ILE CD1 C 13 11.062 0.000 . . . . . . 576 . . . 7008 1 838 . 1 1 84 84 ILE N N 15 130.487 0.000 . . . . . . 576 . . . 7008 1 839 . 1 1 85 85 ASP H H 1 8.867 0.000 . . . . . . 577 . . . 7008 1 840 . 1 1 85 85 ASP HA H 1 4.873 0.000 . . . . . . 577 . . . 7008 1 841 . 1 1 85 85 ASP HB2 H 1 2.777 0.000 . . . . . . 577 . . . 7008 1 842 . 1 1 85 85 ASP HB3 H 1 2.777 0.000 . . . . . . 577 . . . 7008 1 843 . 1 1 85 85 ASP CA C 13 53.402 0.000 . . . . . . 577 . . . 7008 1 844 . 1 1 85 85 ASP CB C 13 42.103 0.000 . . . . . . 577 . . . 7008 1 845 . 1 1 85 85 ASP N N 15 131.084 0.000 . . . . . . 577 . . . 7008 1 846 . 1 1 86 86 ASP H H 1 8.266 0.000 . . . . . . 578 . . . 7008 1 847 . 1 1 86 86 ASP HA H 1 4.792 0.000 . . . . . . 578 . . . 7008 1 848 . 1 1 86 86 ASP HB2 H 1 2.942 0.000 . . . . . . 578 . . . 7008 1 849 . 1 1 86 86 ASP HB3 H 1 3.176 0.000 . . . . . . 578 . . . 7008 1 850 . 1 1 86 86 ASP CA C 13 53.402 0.000 . . . . . . 578 . . . 7008 1 851 . 1 1 86 86 ASP CB C 13 42.611 0.000 . . . . . . 578 . . . 7008 1 852 . 1 1 86 86 ASP N N 15 120.867 0.000 . . . . . . 578 . . . 7008 1 853 . 1 1 87 87 GLU H H 1 8.530 0.000 . . . . . . 579 . . . 7008 1 854 . 1 1 87 87 GLU HA H 1 4.646 0.000 . . . . . . 579 . . . 7008 1 855 . 1 1 87 87 GLU HB2 H 1 1.810 0.000 . . . . . . 579 . . . 7008 1 856 . 1 1 87 87 GLU HB3 H 1 2.366 0.000 . . . . . . 579 . . . 7008 1 857 . 1 1 87 87 GLU HG2 H 1 2.213 0.000 . . . . . . 579 . . . 7008 1 858 . 1 1 87 87 GLU HG3 H 1 2.213 0.000 . . . . . . 579 . . . 7008 1 859 . 1 1 87 87 GLU CA C 13 55.305 0.000 . . . . . . 579 . . . 7008 1 860 . 1 1 87 87 GLU CB C 13 29.411 0.000 . . . . . . 579 . . . 7008 1 861 . 1 1 87 87 GLU CG C 13 36.264 0.000 . . . . . . 579 . . . 7008 1 862 . 1 1 87 87 GLU N N 15 119.325 0.000 . . . . . . 579 . . . 7008 1 863 . 1 1 88 88 GLU H H 1 7.921 0.000 . . . . . . 580 . . . 7008 1 864 . 1 1 88 88 GLU HA H 1 4.462 0.000 . . . . . . 580 . . . 7008 1 865 . 1 1 88 88 GLU HB2 H 1 1.780 0.000 . . . . . . 580 . . . 7008 1 866 . 1 1 88 88 GLU HB3 H 1 1.868 0.000 . . . . . . 580 . . . 7008 1 867 . 1 1 88 88 GLU HG2 H 1 2.103 0.000 . . . . . . 580 . . . 7008 1 868 . 1 1 88 88 GLU HG3 H 1 2.161 0.000 . . . . . . 580 . . . 7008 1 869 . 1 1 88 88 GLU CA C 13 54.799 0.000 . . . . . . 580 . . . 7008 1 870 . 1 1 88 88 GLU CB C 13 32.451 0.000 . . . . . . 580 . . . 7008 1 871 . 1 1 88 88 GLU CG C 13 35.757 0.000 . . . . . . 580 . . . 7008 1 872 . 1 1 88 88 GLU N N 15 119.036 0.000 . . . . . . 580 . . . 7008 1 873 . 1 1 89 89 TYR H H 1 8.977 0.000 . . . . . . 581 . . . 7008 1 874 . 1 1 89 89 TYR HA H 1 4.489 0.000 . . . . . . 581 . . . 7008 1 875 . 1 1 89 89 TYR HB2 H 1 2.513 0.000 . . . . . . 581 . . . 7008 1 876 . 1 1 89 89 TYR HB3 H 1 2.918 0.000 . . . . . . 581 . . . 7008 1 877 . 1 1 89 89 TYR HD1 H 1 7.049 0.000 . . . . . . 581 . . . 7008 1 878 . 1 1 89 89 TYR HD2 H 1 7.049 0.000 . . . . . . 581 . . . 7008 1 879 . 1 1 89 89 TYR HE1 H 1 6.830 0.000 . . . . . . 581 . . . 7008 1 880 . 1 1 89 89 TYR HE2 H 1 6.830 0.000 . . . . . . 581 . . . 7008 1 881 . 1 1 89 89 TYR CA C 13 58.064 0.000 . . . . . . 581 . . . 7008 1 882 . 1 1 89 89 TYR CB C 13 38.447 0.000 . . . . . . 581 . . . 7008 1 883 . 1 1 89 89 TYR CD1 C 13 133.158 0.000 . . . . . . 581 . . . 7008 1 884 . 1 1 89 89 TYR CE1 C 13 118.398 0.000 . . . . . . 581 . . . 7008 1 885 . 1 1 89 89 TYR N N 15 127.422 0.000 . . . . . . 581 . . . 7008 1 886 . 1 1 90 90 GLU H H 1 8.127 0.000 . . . . . . 582 . . . 7008 1 887 . 1 1 90 90 GLU HA H 1 4.469 0.000 . . . . . . 582 . . . 7008 1 888 . 1 1 90 90 GLU HB2 H 1 1.986 0.000 . . . . . . 582 . . . 7008 1 889 . 1 1 90 90 GLU HB3 H 1 2.242 0.000 . . . . . . 582 . . . 7008 1 890 . 1 1 90 90 GLU HG2 H 1 2.212 0.000 . . . . . . 582 . . . 7008 1 891 . 1 1 90 90 GLU CA C 13 54.613 0.000 . . . . . . 582 . . . 7008 1 892 . 1 1 90 90 GLU CB C 13 35.145 0.000 . . . . . . 582 . . . 7008 1 893 . 1 1 90 90 GLU CG C 13 37.476 0.000 . . . . . . 582 . . . 7008 1 894 . 1 1 90 90 GLU N N 15 129.246 0.000 . . . . . . 582 . . . 7008 1 895 . 1 1 91 91 LYS H H 1 7.841 0.000 . . . . . . 583 . . . 7008 1 896 . 1 1 91 91 LYS HA H 1 4.249 0.000 . . . . . . 583 . . . 7008 1 897 . 1 1 91 91 LYS HB2 H 1 1.795 0.000 . . . . . . 583 . . . 7008 1 898 . 1 1 91 91 LYS HB3 H 1 1.912 0.000 . . . . . . 583 . . . 7008 1 899 . 1 1 91 91 LYS HG2 H 1 1.509 0.000 . . . . . . 583 . . . 7008 1 900 . 1 1 91 91 LYS HG3 H 1 1.509 0.000 . . . . . . 583 . . . 7008 1 901 . 1 1 91 91 LYS HD2 H 1 1.751 0.000 . . . . . . 583 . . . 7008 1 902 . 1 1 91 91 LYS HD3 H 1 1.751 0.000 . . . . . . 583 . . . 7008 1 903 . 1 1 91 91 LYS HE2 H 1 3.066 0.000 . . . . . . 583 . . . 7008 1 904 . 1 1 91 91 LYS HE3 H 1 3.066 0.000 . . . . . . 583 . . . 7008 1 905 . 1 1 91 91 LYS CA C 13 56.510 0.000 . . . . . . 583 . . . 7008 1 906 . 1 1 91 91 LYS CB C 13 33.009 0.000 . . . . . . 583 . . . 7008 1 907 . 1 1 91 91 LYS CG C 13 24.657 0.000 . . . . . . 583 . . . 7008 1 908 . 1 1 91 91 LYS CD C 13 29.124 0.000 . . . . . . 583 . . . 7008 1 909 . 1 1 91 91 LYS CE C 13 42.137 0.000 . . . . . . 583 . . . 7008 1 910 . 1 1 91 91 LYS N N 15 117.590 0.000 . . . . . . 583 . . . 7008 1 911 . 1 1 92 92 ASN H H 1 8.412 0.000 . . . . . . 584 . . . 7008 1 912 . 1 1 92 92 ASN HA H 1 4.660 0.000 . . . . . . 584 . . . 7008 1 913 . 1 1 92 92 ASN HB2 H 1 2.711 0.000 . . . . . . 584 . . . 7008 1 914 . 1 1 92 92 ASN HB3 H 1 2.711 0.000 . . . . . . 584 . . . 7008 1 915 . 1 1 92 92 ASN HD21 H 1 7.269 0.000 . . . . . . 584 . . . 7008 1 916 . 1 1 92 92 ASN HD22 H 1 7.401 0.000 . . . . . . 584 . . . 7008 1 917 . 1 1 92 92 ASN CA C 13 54.296 0.000 . . . . . . 584 . . . 7008 1 918 . 1 1 92 92 ASN CB C 13 37.864 0.000 . . . . . . 584 . . . 7008 1 919 . 1 1 92 92 ASN N N 15 119.888 0.000 . . . . . . 584 . . . 7008 1 920 . 1 1 92 92 ASN ND2 N 15 111.422 0.000 . . . . . . 584 . . . 7008 1 921 . 1 1 93 93 LYS H H 1 8.171 0.000 . . . . . . 585 . . . 7008 1 922 . 1 1 93 93 LYS HA H 1 4.654 0.000 . . . . . . 585 . . . 7008 1 923 . 1 1 93 93 LYS HB2 H 1 1.729 0.000 . . . . . . 585 . . . 7008 1 924 . 1 1 93 93 LYS HB3 H 1 1.729 0.000 . . . . . . 585 . . . 7008 1 925 . 1 1 93 93 LYS HG2 H 1 1.246 0.000 . . . . . . 585 . . . 7008 1 926 . 1 1 93 93 LYS HG3 H 1 1.626 0.000 . . . . . . 585 . . . 7008 1 927 . 1 1 93 93 LYS HD2 H 1 1.714 0.000 . . . . . . 585 . . . 7008 1 928 . 1 1 93 93 LYS HD3 H 1 1.714 0.000 . . . . . . 585 . . . 7008 1 929 . 1 1 93 93 LYS HE2 H 1 3.050 0.000 . . . . . . 585 . . . 7008 1 930 . 1 1 93 93 LYS HE3 H 1 3.050 0.000 . . . . . . 585 . . . 7008 1 931 . 1 1 93 93 LYS CA C 13 55.566 0.000 . . . . . . 585 . . . 7008 1 932 . 1 1 93 93 LYS CB C 13 36.527 0.000 . . . . . . 585 . . . 7008 1 933 . 1 1 93 93 LYS CG C 13 25.434 0.000 . . . . . . 585 . . . 7008 1 934 . 1 1 93 93 LYS CD C 13 29.513 0.000 . . . . . . 585 . . . 7008 1 935 . 1 1 93 93 LYS CE C 13 42.493 0.000 . . . . . . 585 . . . 7008 1 936 . 1 1 93 93 LYS N N 15 122.313 0.000 . . . . . . 585 . . . 7008 1 937 . 1 1 94 94 THR H H 1 8.134 0.000 . . . . . . 586 . . . 7008 1 938 . 1 1 94 94 THR HA H 1 5.788 0.000 . . . . . . 586 . . . 7008 1 939 . 1 1 94 94 THR HB H 1 3.788 0.000 . . . . . . 586 . . . 7008 1 940 . 1 1 94 94 THR HG21 H 1 0.879 0.000 . . . . . . 586 . . . 7008 1 941 . 1 1 94 94 THR HG22 H 1 0.879 0.000 . . . . . . 586 . . . 7008 1 942 . 1 1 94 94 THR HG23 H 1 0.879 0.000 . . . . . . 586 . . . 7008 1 943 . 1 1 94 94 THR CA C 13 59.879 0.000 . . . . . . 586 . . . 7008 1 944 . 1 1 94 94 THR CB C 13 72.824 0.000 . . . . . . 586 . . . 7008 1 945 . 1 1 94 94 THR CG2 C 13 22.555 0.000 . . . . . . 586 . . . 7008 1 946 . 1 1 94 94 THR N N 15 111.616 0.000 . . . . . . 586 . . . 7008 1 947 . 1 1 95 95 PHE H H 1 8.625 0.000 . . . . . . 587 . . . 7008 1 948 . 1 1 95 95 PHE HA H 1 4.615 0.000 . . . . . . 587 . . . 7008 1 949 . 1 1 95 95 PHE HB2 H 1 2.901 0.000 . . . . . . 587 . . . 7008 1 950 . 1 1 95 95 PHE HB3 H 1 3.194 0.000 . . . . . . 587 . . . 7008 1 951 . 1 1 95 95 PHE HD1 H 1 6.507 0.000 . . . . . . 587 . . . 7008 1 952 . 1 1 95 95 PHE HD2 H 1 6.464 0.000 . . . . . . 587 . . . 7008 1 953 . 1 1 95 95 PHE HE1 H 1 6.537 0.000 . . . . . . 587 . . . 7008 1 954 . 1 1 95 95 PHE HZ H 1 6.771 0.000 . . . . . . 587 . . . 7008 1 955 . 1 1 95 95 PHE CA C 13 56.326 0.000 . . . . . . 587 . . . 7008 1 956 . 1 1 95 95 PHE CB C 13 41.088 0.000 . . . . . . 587 . . . 7008 1 957 . 1 1 95 95 PHE CD1 C 13 131.992 0.000 . . . . . . 587 . . . 7008 1 958 . 1 1 95 95 PHE CD2 C 13 128.691 0.000 . . . . . . 587 . . . 7008 1 959 . 1 1 95 95 PHE CE1 C 13 129.079 0.000 . . . . . . 587 . . . 7008 1 960 . 1 1 95 95 PHE CZ C 13 128.303 0.000 . . . . . . 587 . . . 7008 1 961 . 1 1 95 95 PHE N N 15 121.157 0.000 . . . . . . 587 . . . 7008 1 962 . 1 1 96 96 PHE H H 1 9.145 0.000 . . . . . . 588 . . . 7008 1 963 . 1 1 96 96 PHE HA H 1 5.781 0.000 . . . . . . 588 . . . 7008 1 964 . 1 1 96 96 PHE HB2 H 1 2.813 0.000 . . . . . . 588 . . . 7008 1 965 . 1 1 96 96 PHE HB3 H 1 2.813 0.000 . . . . . . 588 . . . 7008 1 966 . 1 1 96 96 PHE HD1 H 1 6.977 0.000 . . . . . . 588 . . . 7008 1 967 . 1 1 96 96 PHE HD2 H 1 6.977 0.000 . . . . . . 588 . . . 7008 1 968 . 1 1 96 96 PHE HE1 H 1 7.313 0.000 . . . . . . 588 . . . 7008 1 969 . 1 1 96 96 PHE HE2 H 1 7.313 0.000 . . . . . . 588 . . . 7008 1 970 . 1 1 96 96 PHE CA C 13 55.308 0.000 . . . . . . 588 . . . 7008 1 971 . 1 1 96 96 PHE CB C 13 43.368 0.000 . . . . . . 588 . . . 7008 1 972 . 1 1 96 96 PHE CD1 C 13 131.992 0.000 . . . . . . 588 . . . 7008 1 973 . 1 1 96 96 PHE CE1 C 13 131.021 0.000 . . . . . . 588 . . . 7008 1 974 . 1 1 96 96 PHE N N 15 114.724 0.000 . . . . . . 588 . . . 7008 1 975 . 1 1 97 97 LEU H H 1 8.815 0.000 . . . . . . 589 . . . 7008 1 976 . 1 1 97 97 LEU HA H 1 5.276 0.000 . . . . . . 589 . . . 7008 1 977 . 1 1 97 97 LEU HB2 H 1 1.220 0.000 . . . . . . 589 . . . 7008 1 978 . 1 1 97 97 LEU HB3 H 1 1.540 0.000 . . . . . . 589 . . . 7008 1 979 . 1 1 97 97 LEU HG H 1 1.627 0.000 . . . . . . 589 . . . 7008 1 980 . 1 1 97 97 LEU HD11 H 1 0.784 0.000 . . . . . . 589 . . . 7008 1 981 . 1 1 97 97 LEU HD12 H 1 0.784 0.000 . . . . . . 589 . . . 7008 1 982 . 1 1 97 97 LEU HD13 H 1 0.784 0.000 . . . . . . 589 . . . 7008 1 983 . 1 1 97 97 LEU HD21 H 1 0.835 0.000 . . . . . . 589 . . . 7008 1 984 . 1 1 97 97 LEU HD22 H 1 0.835 0.000 . . . . . . 589 . . . 7008 1 985 . 1 1 97 97 LEU HD23 H 1 0.835 0.000 . . . . . . 589 . . . 7008 1 986 . 1 1 97 97 LEU CA C 13 54.032 0.000 . . . . . . 589 . . . 7008 1 987 . 1 1 97 97 LEU CB C 13 47.187 0.000 . . . . . . 589 . . . 7008 1 988 . 1 1 97 97 LEU CG C 13 28.542 0.000 . . . . . . 589 . . . 7008 1 989 . 1 1 97 97 LEU CD1 C 13 25.240 0.000 . . . . . . 589 . . . 7008 1 990 . 1 1 97 97 LEU CD2 C 13 26.368 0.000 . . . . . . 589 . . . 7008 1 991 . 1 1 97 97 LEU N N 15 121.639 0.000 . . . . . . 589 . . . 7008 1 992 . 1 1 98 98 GLU H H 1 9.196 0.000 . . . . . . 590 . . . 7008 1 993 . 1 1 98 98 GLU HA H 1 5.760 0.000 . . . . . . 590 . . . 7008 1 994 . 1 1 98 98 GLU HB2 H 1 1.913 0.000 . . . . . . 590 . . . 7008 1 995 . 1 1 98 98 GLU HB3 H 1 2.074 0.000 . . . . . . 590 . . . 7008 1 996 . 1 1 98 98 GLU HG2 H 1 2.183 0.000 . . . . . . 590 . . . 7008 1 997 . 1 1 98 98 GLU HG3 H 1 2.440 0.000 . . . . . . 590 . . . 7008 1 998 . 1 1 98 98 GLU CA C 13 55.050 0.000 . . . . . . 590 . . . 7008 1 999 . 1 1 98 98 GLU CB C 13 35.340 0.000 . . . . . . 590 . . . 7008 1 1000 . 1 1 98 98 GLU CG C 13 37.147 0.000 . . . . . . 590 . . . 7008 1 1001 . 1 1 98 98 GLU N N 15 123.383 0.000 . . . . . . 590 . . . 7008 1 1002 . 1 1 99 99 ILE H H 1 8.398 0.000 . . . . . . 591 . . . 7008 1 1003 . 1 1 99 99 ILE HA H 1 5.349 0.000 . . . . . . 591 . . . 7008 1 1004 . 1 1 99 99 ILE HB H 1 1.736 0.000 . . . . . . 591 . . . 7008 1 1005 . 1 1 99 99 ILE HG12 H 1 0.923 0.000 . . . . . . 591 . . . 7008 1 1006 . 1 1 99 99 ILE HG13 H 1 1.626 0.000 . . . . . . 591 . . . 7008 1 1007 . 1 1 99 99 ILE HG21 H 1 0.740 0.000 . . . . . . 591 . . . 7008 1 1008 . 1 1 99 99 ILE HG22 H 1 0.740 0.000 . . . . . . 591 . . . 7008 1 1009 . 1 1 99 99 ILE HG23 H 1 0.740 0.000 . . . . . . 591 . . . 7008 1 1010 . 1 1 99 99 ILE HD11 H 1 0.352 0.000 . . . . . . 591 . . . 7008 1 1011 . 1 1 99 99 ILE HD12 H 1 0.352 0.000 . . . . . . 591 . . . 7008 1 1012 . 1 1 99 99 ILE HD13 H 1 0.352 0.000 . . . . . . 591 . . . 7008 1 1013 . 1 1 99 99 ILE CA C 13 59.631 0.000 . . . . . . 591 . . . 7008 1 1014 . 1 1 99 99 ILE CB C 13 40.329 0.000 . . . . . . 591 . . . 7008 1 1015 . 1 1 99 99 ILE CG1 C 13 24.463 0.000 . . . . . . 591 . . . 7008 1 1016 . 1 1 99 99 ILE CG2 C 13 18.241 0.000 . . . . . . 591 . . . 7008 1 1017 . 1 1 99 99 ILE CD1 C 13 13.158 0.000 . . . . . . 591 . . . 7008 1 1018 . 1 1 99 99 ILE N N 15 118.535 0.000 . . . . . . 591 . . . 7008 1 1019 . 1 1 100 100 GLY H H 1 8.258 0.000 . . . . . . 592 . . . 7008 1 1020 . 1 1 100 100 GLY HA2 H 1 3.474 0.000 . . . . . . 592 . . . 7008 1 1021 . 1 1 100 100 GLY HA3 H 1 4.471 0.000 . . . . . . 592 . . . 7008 1 1022 . 1 1 100 100 GLY CA C 13 42.720 0.000 . . . . . . 592 . . . 7008 1 1023 . 1 1 100 100 GLY N N 15 108.726 0.000 . . . . . . 592 . . . 7008 1 1024 . 1 1 101 101 GLU H H 1 7.804 0.000 . . . . . . 593 . . . 7008 1 1025 . 1 1 101 101 GLU HA H 1 4.155 0.000 . . . . . . 593 . . . 7008 1 1026 . 1 1 101 101 GLU HB2 H 1 1.934 0.000 . . . . . . 593 . . . 7008 1 1027 . 1 1 101 101 GLU HB3 H 1 1.934 0.000 . . . . . . 593 . . . 7008 1 1028 . 1 1 101 101 GLU HG2 H 1 2.359 0.000 . . . . . . 593 . . . 7008 1 1029 . 1 1 101 101 GLU HG3 H 1 2.359 0.000 . . . . . . 593 . . . 7008 1 1030 . 1 1 101 101 GLU CA C 13 54.956 0.000 . . . . . . 593 . . . 7008 1 1031 . 1 1 101 101 GLU CB C 13 30.290 0.000 . . . . . . 593 . . . 7008 1 1032 . 1 1 101 101 GLU CG C 13 36.009 0.000 . . . . . . 593 . . . 7008 1 1033 . 1 1 101 101 GLU N N 15 115.604 0.000 . . . . . . 593 . . . 7008 1 1034 . 1 1 102 102 PRO HA H 1 4.887 0.000 . . . . . . 594 . . . 7008 1 1035 . 1 1 102 102 PRO HB2 H 1 1.224 0.000 . . . . . . 594 . . . 7008 1 1036 . 1 1 102 102 PRO HB3 H 1 1.414 0.000 . . . . . . 594 . . . 7008 1 1037 . 1 1 102 102 PRO HG2 H 1 1.399 0.000 . . . . . . 594 . . . 7008 1 1038 . 1 1 102 102 PRO HG3 H 1 1.582 0.000 . . . . . . 594 . . . 7008 1 1039 . 1 1 102 102 PRO HD2 H 1 3.626 0.000 . . . . . . 594 . . . 7008 1 1040 . 1 1 102 102 PRO HD3 H 1 3.963 0.000 . . . . . . 594 . . . 7008 1 1041 . 1 1 102 102 PRO CA C 13 61.407 0.000 . . . . . . 594 . . . 7008 1 1042 . 1 1 102 102 PRO CB C 13 33.470 0.000 . . . . . . 594 . . . 7008 1 1043 . 1 1 102 102 PRO CG C 13 26.617 0.000 . . . . . . 594 . . . 7008 1 1044 . 1 1 102 102 PRO CD C 13 50.733 0.000 . . . . . . 594 . . . 7008 1 1045 . 1 1 103 103 ARG H H 1 8.786 0.000 . . . . . . 595 . . . 7008 1 1046 . 1 1 103 103 ARG HA H 1 4.771 0.000 . . . . . . 595 . . . 7008 1 1047 . 1 1 103 103 ARG HB2 H 1 1.722 0.000 . . . . . . 595 . . . 7008 1 1048 . 1 1 103 103 ARG HB3 H 1 1.722 0.000 . . . . . . 595 . . . 7008 1 1049 . 1 1 103 103 ARG HG2 H 1 1.488 0.000 . . . . . . 595 . . . 7008 1 1050 . 1 1 103 103 ARG HG3 H 1 1.554 0.000 . . . . . . 595 . . . 7008 1 1051 . 1 1 103 103 ARG HD2 H 1 3.143 0.000 . . . . . . 595 . . . 7008 1 1052 . 1 1 103 103 ARG HD3 H 1 3.143 0.000 . . . . . . 595 . . . 7008 1 1053 . 1 1 103 103 ARG CA C 13 54.298 0.000 . . . . . . 595 . . . 7008 1 1054 . 1 1 103 103 ARG CB C 13 33.214 0.000 . . . . . . 595 . . . 7008 1 1055 . 1 1 103 103 ARG CG C 13 26.988 0.000 . . . . . . 595 . . . 7008 1 1056 . 1 1 103 103 ARG CD C 13 43.634 0.000 . . . . . . 595 . . . 7008 1 1057 . 1 1 103 103 ARG N N 15 117.408 0.000 . . . . . . 595 . . . 7008 1 1058 . 1 1 104 104 LEU H H 1 8.779 0.000 . . . . . . 596 . . . 7008 1 1059 . 1 1 104 104 LEU HA H 1 4.655 0.000 . . . . . . 596 . . . 7008 1 1060 . 1 1 104 104 LEU HB2 H 1 1.374 0.000 . . . . . . 596 . . . 7008 1 1061 . 1 1 104 104 LEU HB3 H 1 1.788 0.000 . . . . . . 596 . . . 7008 1 1062 . 1 1 104 104 LEU HG H 1 1.546 0.000 . . . . . . 596 . . . 7008 1 1063 . 1 1 104 104 LEU HD11 H 1 1.026 0.000 . . . . . . 596 . . . 7008 1 1064 . 1 1 104 104 LEU HD12 H 1 1.026 0.000 . . . . . . 596 . . . 7008 1 1065 . 1 1 104 104 LEU HD13 H 1 1.026 0.000 . . . . . . 596 . . . 7008 1 1066 . 1 1 104 104 LEU HD21 H 1 0.974 0.000 . . . . . . 596 . . . 7008 1 1067 . 1 1 104 104 LEU HD22 H 1 0.974 0.000 . . . . . . 596 . . . 7008 1 1068 . 1 1 104 104 LEU HD23 H 1 0.974 0.000 . . . . . . 596 . . . 7008 1 1069 . 1 1 104 104 LEU CA C 13 55.054 0.000 . . . . . . 596 . . . 7008 1 1070 . 1 1 104 104 LEU CB C 13 43.627 0.000 . . . . . . 596 . . . 7008 1 1071 . 1 1 104 104 LEU CG C 13 27.376 0.000 . . . . . . 596 . . . 7008 1 1072 . 1 1 104 104 LEU CD1 C 13 24.852 0.000 . . . . . . 596 . . . 7008 1 1073 . 1 1 104 104 LEU CD2 C 13 25.350 0.000 . . . . . . 596 . . . 7008 1 1074 . 1 1 104 104 LEU N N 15 125.413 0.000 . . . . . . 596 . . . 7008 1 1075 . 1 1 105 105 VAL H H 1 8.581 0.000 . . . . . . 597 . . . 7008 1 1076 . 1 1 105 105 VAL HA H 1 4.052 0.000 . . . . . . 597 . . . 7008 1 1077 . 1 1 105 105 VAL HB H 1 1.978 0.000 . . . . . . 597 . . . 7008 1 1078 . 1 1 105 105 VAL HG11 H 1 0.689 0.000 . . . . . . 597 . . . 7008 1 1079 . 1 1 105 105 VAL HG12 H 1 0.689 0.000 . . . . . . 597 . . . 7008 1 1080 . 1 1 105 105 VAL HG13 H 1 0.689 0.000 . . . . . . 597 . . . 7008 1 1081 . 1 1 105 105 VAL HG21 H 1 0.872 0.000 . . . . . . 597 . . . 7008 1 1082 . 1 1 105 105 VAL HG22 H 1 0.872 0.000 . . . . . . 597 . . . 7008 1 1083 . 1 1 105 105 VAL HG23 H 1 0.872 0.000 . . . . . . 597 . . . 7008 1 1084 . 1 1 105 105 VAL CA C 13 62.930 0.000 . . . . . . 597 . . . 7008 1 1085 . 1 1 105 105 VAL CB C 13 32.712 0.000 . . . . . . 597 . . . 7008 1 1086 . 1 1 105 105 VAL CG2 C 13 21.550 0.000 . . . . . . 597 . . . 7008 1 1087 . 1 1 105 105 VAL N N 15 125.864 0.000 . . . . . . 597 . . . 7008 1 1088 . 1 1 106 106 GLU H H 1 8.515 0.000 . . . . . . 598 . . . 7008 1 1089 . 1 1 106 106 GLU HA H 1 4.406 0.000 . . . . . . 598 . . . 7008 1 1090 . 1 1 106 106 GLU HB2 H 1 1.978 0.000 . . . . . . 598 . . . 7008 1 1091 . 1 1 106 106 GLU HB3 H 1 2.088 0.000 . . . . . . 598 . . . 7008 1 1092 . 1 1 106 106 GLU HG2 H 1 2.264 0.000 . . . . . . 598 . . . 7008 1 1093 . 1 1 106 106 GLU HG3 H 1 2.293 0.000 . . . . . . 598 . . . 7008 1 1094 . 1 1 106 106 GLU CA C 13 56.581 0.000 . . . . . . 598 . . . 7008 1 1095 . 1 1 106 106 GLU CB C 13 30.872 0.000 . . . . . . 598 . . . 7008 1 1096 . 1 1 106 106 GLU CG C 13 36.527 0.000 . . . . . . 598 . . . 7008 1 1097 . 1 1 106 106 GLU N N 15 125.494 0.000 . . . . . . 598 . . . 7008 1 1098 . 1 1 107 107 MET H H 1 8.537 0.000 . . . . . . 599 . . . 7008 1 1099 . 1 1 107 107 MET HA H 1 4.550 0.000 . . . . . . 599 . . . 7008 1 1100 . 1 1 107 107 MET HB2 H 1 2.059 0.000 . . . . . . 599 . . . 7008 1 1101 . 1 1 107 107 MET HB3 H 1 2.169 0.000 . . . . . . 599 . . . 7008 1 1102 . 1 1 107 107 MET HG2 H 1 2.594 0.000 . . . . . . 599 . . . 7008 1 1103 . 1 1 107 107 MET HG3 H 1 2.659 0.000 . . . . . . 599 . . . 7008 1 1104 . 1 1 107 107 MET HE1 H 1 2.117 0.000 . . . . . . 599 . . . 7008 1 1105 . 1 1 107 107 MET HE2 H 1 2.117 0.000 . . . . . . 599 . . . 7008 1 1106 . 1 1 107 107 MET HE3 H 1 2.117 0.000 . . . . . . 599 . . . 7008 1 1107 . 1 1 107 107 MET CA C 13 55.810 0.000 . . . . . . 599 . . . 7008 1 1108 . 1 1 107 107 MET CB C 13 33.009 0.000 . . . . . . 599 . . . 7008 1 1109 . 1 1 107 107 MET CG C 13 32.202 0.000 . . . . . . 599 . . . 7008 1 1110 . 1 1 107 107 MET CE C 13 17.083 0.000 . . . . . . 599 . . . 7008 1 1111 . 1 1 107 107 MET N N 15 122.256 0.000 . . . . . . 599 . . . 7008 1 1112 . 1 1 108 108 SER H H 1 8.354 0.000 . . . . . . 600 . . . 7008 1 1113 . 1 1 108 108 SER HA H 1 4.447 0.000 . . . . . . 600 . . . 7008 1 1114 . 1 1 108 108 SER HB2 H 1 3.883 0.000 . . . . . . 600 . . . 7008 1 1115 . 1 1 108 108 SER HB3 H 1 3.883 0.000 . . . . . . 600 . . . 7008 1 1116 . 1 1 108 108 SER CA C 13 58.608 0.000 . . . . . . 600 . . . 7008 1 1117 . 1 1 108 108 SER CB C 13 63.947 0.000 . . . . . . 600 . . . 7008 1 1118 . 1 1 108 108 SER N N 15 116.723 0.000 . . . . . . 600 . . . 7008 1 1119 . 1 1 109 109 GLU H H 1 8.500 0.000 . . . . . . 601 . . . 7008 1 1120 . 1 1 109 109 GLU HA H 1 4.314 0.000 . . . . . . 601 . . . 7008 1 1121 . 1 1 109 109 GLU HB2 H 1 1.986 0.000 . . . . . . 601 . . . 7008 1 1122 . 1 1 109 109 GLU HB3 H 1 1.986 0.000 . . . . . . 601 . . . 7008 1 1123 . 1 1 109 109 GLU CB C 13 30.421 0.000 . . . . . . 601 . . . 7008 1 1124 . 1 1 109 109 GLU N N 15 122.795 0.000 . . . . . . 601 . . . 7008 1 1125 . 1 1 110 110 LYS H H 1 8.251 0.000 . . . . . . 602 . . . 7008 1 1126 . 1 1 110 110 LYS HA H 1 4.304 0.000 . . . . . . 602 . . . 7008 1 1127 . 1 1 110 110 LYS HB2 H 1 1.768 0.000 . . . . . . 602 . . . 7008 1 1128 . 1 1 110 110 LYS HB3 H 1 1.768 0.000 . . . . . . 602 . . . 7008 1 1129 . 1 1 110 110 LYS N N 15 122.024 0.000 . . . . . . 602 . . . 7008 1 1130 . 1 1 111 111 LYS H H 1 8.310 0.000 . . . . . . 603 . . . 7008 1 1131 . 1 1 111 111 LYS HA H 1 4.351 0.000 . . . . . . 603 . . . 7008 1 1132 . 1 1 111 111 LYS HB2 H 1 1.815 0.000 . . . . . . 603 . . . 7008 1 1133 . 1 1 111 111 LYS HB3 H 1 1.815 0.000 . . . . . . 603 . . . 7008 1 1134 . 1 1 111 111 LYS N N 15 122.602 0.000 . . . . . . 603 . . . 7008 1 1135 . 1 1 112 112 GLY H H 1 8.405 0.000 . . . . . . 604 . . . 7008 1 1136 . 1 1 112 112 GLY HA2 H 1 3.976 0.000 . . . . . . 604 . . . 7008 1 1137 . 1 1 112 112 GLY HA3 H 1 4.398 0.000 . . . . . . 604 . . . 7008 1 1138 . 1 1 112 112 GLY N N 15 109.976 0.000 . . . . . . 604 . . . 7008 1 1139 . 1 1 113 113 GLY H H 1 8.214 0.000 . . . . . . 605 . . . 7008 1 1140 . 1 1 113 113 GLY HA2 H 1 3.928 0.000 . . . . . . 605 . . . 7008 1 1141 . 1 1 113 113 GLY HA3 H 1 4.398 0.000 . . . . . . 605 . . . 7008 1 1142 . 1 1 113 113 GLY N N 15 108.434 0.000 . . . . . . 605 . . . 7008 1 1143 . 1 1 114 114 PHE HA H 1 4.748 0.000 . . . . . . 606 . . . 7008 1 1144 . 1 1 114 114 PHE HB2 H 1 3.081 0.000 . . . . . . 606 . . . 7008 1 1145 . 1 1 114 114 PHE HB3 H 1 3.081 0.000 . . . . . . 606 . . . 7008 1 1146 . 1 1 114 114 PHE CA C 13 55.562 0.000 . . . . . . 606 . . . 7008 1 1147 . 1 1 114 114 PHE CB C 13 42.614 0.000 . . . . . . 606 . . . 7008 1 1148 . 1 1 115 115 THR H H 1 8.163 0.000 . . . . . . 607 . . . 7008 1 1149 . 1 1 115 115 THR HA H 1 4.367 0.000 . . . . . . 607 . . . 7008 1 1150 . 1 1 115 115 THR HB H 1 4.140 0.001 . . . . . . 607 . . . 7008 1 1151 . 1 1 115 115 THR HG21 H 1 1.176 0.000 . . . . . . 607 . . . 7008 1 1152 . 1 1 115 115 THR HG22 H 1 1.176 0.000 . . . . . . 607 . . . 7008 1 1153 . 1 1 115 115 THR HG23 H 1 1.176 0.000 . . . . . . 607 . . . 7008 1 1154 . 1 1 115 115 THR CA C 13 61.948 0.000 . . . . . . 607 . . . 7008 1 1155 . 1 1 115 115 THR CB C 13 69.911 0.000 . . . . . . 607 . . . 7008 1 1156 . 1 1 115 115 THR N N 15 116.723 0.000 . . . . . . 607 . . . 7008 1 1157 . 1 1 116 116 ILE H H 1 8.244 0.000 . . . . . . 608 . . . 7008 1 1158 . 1 1 116 116 ILE HA H 1 4.257 0.000 . . . . . . 608 . . . 7008 1 1159 . 1 1 116 116 ILE HB H 1 1.913 0.000 . . . . . . 608 . . . 7008 1 1160 . 1 1 116 116 ILE HG12 H 1 1.216 0.000 . . . . . . 608 . . . 7008 1 1161 . 1 1 116 116 ILE HG13 H 1 1.504 0.000 . . . . . . 608 . . . 7008 1 1162 . 1 1 116 116 ILE HG21 H 1 0.945 0.000 . . . . . . 608 . . . 7008 1 1163 . 1 1 116 116 ILE HG22 H 1 0.945 0.000 . . . . . . 608 . . . 7008 1 1164 . 1 1 116 116 ILE HG23 H 1 0.945 0.000 . . . . . . 608 . . . 7008 1 1165 . 1 1 116 116 ILE HD11 H 1 0.894 0.000 . . . . . . 608 . . . 7008 1 1166 . 1 1 116 116 ILE HD12 H 1 0.894 0.000 . . . . . . 608 . . . 7008 1 1167 . 1 1 116 116 ILE HD13 H 1 0.894 0.000 . . . . . . 608 . . . 7008 1 1168 . 1 1 116 116 ILE CA C 13 61.406 0.000 . . . . . . 608 . . . 7008 1 1169 . 1 1 116 116 ILE CB C 13 38.798 0.000 . . . . . . 608 . . . 7008 1 1170 . 1 1 116 116 ILE CG1 C 13 27.374 0.000 . . . . . . 608 . . . 7008 1 1171 . 1 1 116 116 ILE CG2 C 13 17.720 0.000 . . . . . . 608 . . . 7008 1 1172 . 1 1 116 116 ILE CD1 C 13 13.004 0.000 . . . . . . 608 . . . 7008 1 1173 . 1 1 116 116 ILE N N 15 123.470 0.000 . . . . . . 608 . . . 7008 1 1174 . 1 1 117 117 THR H H 1 8.149 0.000 . . . . . . 609 . . . 7008 1 1175 . 1 1 117 117 THR HA H 1 4.383 0.000 . . . . . . 609 . . . 7008 1 1176 . 1 1 117 117 THR HB H 1 4.249 0.000 . . . . . . 609 . . . 7008 1 1177 . 1 1 117 117 THR HG21 H 1 1.209 0.000 . . . . . . 609 . . . 7008 1 1178 . 1 1 117 117 THR HG22 H 1 1.209 0.000 . . . . . . 609 . . . 7008 1 1179 . 1 1 117 117 THR HG23 H 1 1.209 0.000 . . . . . . 609 . . . 7008 1 1180 . 1 1 117 117 THR CA C 13 61.736 0.000 . . . . . . 609 . . . 7008 1 1181 . 1 1 117 117 THR CB C 13 69.911 0.000 . . . . . . 609 . . . 7008 1 1182 . 1 1 117 117 THR CG2 C 13 21.788 0.000 . . . . . . 609 . . . 7008 1 1183 . 1 1 117 117 THR N N 15 117.972 0.000 . . . . . . 609 . . . 7008 1 1184 . 1 1 118 118 GLU H H 1 8.361 0.000 . . . . . . 610 . . . 7008 1 1185 . 1 1 118 118 GLU HA H 1 4.315 0.000 . . . . . . 610 . . . 7008 1 1186 . 1 1 118 118 GLU HB2 H 1 1.985 0.000 . . . . . . 610 . . . 7008 1 1187 . 1 1 118 118 GLU HB3 H 1 1.985 0.000 . . . . . . 610 . . . 7008 1 1188 . 1 1 118 118 GLU HG2 H 1 2.264 0.000 . . . . . . 610 . . . 7008 1 1189 . 1 1 118 118 GLU HG3 H 1 2.264 0.000 . . . . . . 610 . . . 7008 1 1190 . 1 1 118 118 GLU CA C 13 56.829 0.000 . . . . . . 610 . . . 7008 1 1191 . 1 1 118 118 GLU CB C 13 30.425 0.000 . . . . . . 610 . . . 7008 1 1192 . 1 1 118 118 GLU CG C 13 36.513 0.000 . . . . . . 610 . . . 7008 1 1193 . 1 1 118 118 GLU N N 15 123.084 0.000 . . . . . . 610 . . . 7008 1 1194 . 1 1 119 119 GLU H H 1 8.313 0.000 . . . . . . 611 . . . 7008 1 1195 . 1 1 119 119 GLU HA H 1 4.271 0.000 . . . . . . 611 . . . 7008 1 1196 . 1 1 119 119 GLU HB2 H 1 1.927 0.000 . . . . . . 611 . . . 7008 1 1197 . 1 1 119 119 GLU HB3 H 1 1.927 0.000 . . . . . . 611 . . . 7008 1 1198 . 1 1 119 119 GLU HG2 H 1 2.200 0.000 . . . . . . 611 . . . 7008 1 1199 . 1 1 119 119 GLU HG3 H 1 2.200 0.000 . . . . . . 611 . . . 7008 1 1200 . 1 1 119 119 GLU CA C 13 56.580 0.000 . . . . . . 611 . . . 7008 1 1201 . 1 1 119 119 GLU CB C 13 30.425 0.000 . . . . . . 611 . . . 7008 1 1202 . 1 1 119 119 GLU N N 15 121.354 0.000 . . . . . . 611 . . . 7008 1 1203 . 1 1 120 120 TYR H H 1 8.141 0.000 . . . . . . 612 . . . 7008 1 1204 . 1 1 120 120 TYR HA H 1 4.572 0.000 . . . . . . 612 . . . 7008 1 1205 . 1 1 120 120 TYR HB2 H 1 2.967 0.000 . . . . . . 612 . . . 7008 1 1206 . 1 1 120 120 TYR HB3 H 1 3.077 0.000 . . . . . . 612 . . . 7008 1 1207 . 1 1 120 120 TYR HD1 H 1 7.130 0.000 . . . . . . 612 . . . 7008 1 1208 . 1 1 120 120 TYR HD2 H 1 7.130 0.000 . . . . . . 612 . . . 7008 1 1209 . 1 1 120 120 TYR CA C 13 57.849 0.000 . . . . . . 612 . . . 7008 1 1210 . 1 1 120 120 TYR CB C 13 39.056 0.000 . . . . . . 612 . . . 7008 1 1211 . 1 1 120 120 TYR CD1 C 13 133.158 0.000 . . . . . . 612 . . . 7008 1 1212 . 1 1 120 120 TYR N N 15 121.016 0.000 . . . . . . 612 . . . 7008 1 1213 . 1 1 121 121 ASP H H 1 8.207 0.000 . . . . . . 613 . . . 7008 1 1214 . 1 1 121 121 ASP HA H 1 4.601 0.000 . . . . . . 613 . . . 7008 1 1215 . 1 1 121 121 ASP HB2 H 1 2.637 0.000 . . . . . . 613 . . . 7008 1 1216 . 1 1 121 121 ASP HB3 H 1 2.704 0.000 . . . . . . 613 . . . 7008 1 1217 . 1 1 121 121 ASP CA C 13 54.179 0.000 . . . . . . 613 . . . 7008 1 1218 . 1 1 121 121 ASP CB C 13 41.524 0.000 . . . . . . 613 . . . 7008 1 1219 . 1 1 121 121 ASP N N 15 122.594 0.000 . . . . . . 613 . . . 7008 1 1220 . 1 1 122 122 ASP H H 1 8.222 0.000 . . . . . . 614 . . . 7008 1 1221 . 1 1 122 122 ASP HA H 1 4.537 0.000 . . . . . . 614 . . . 7008 1 1222 . 1 1 122 122 ASP HB2 H 1 2.718 0.000 . . . . . . 614 . . . 7008 1 1223 . 1 1 122 122 ASP HB3 H 1 2.718 0.000 . . . . . . 614 . . . 7008 1 1224 . 1 1 122 122 ASP CA C 13 54.550 0.000 . . . . . . 614 . . . 7008 1 1225 . 1 1 122 122 ASP CB C 13 40.972 0.000 . . . . . . 614 . . . 7008 1 1226 . 1 1 122 122 ASP N N 15 121.241 0.000 . . . . . . 614 . . . 7008 1 1227 . 1 1 123 123 LYS H H 1 8.185 0.000 . . . . . . 615 . . . 7008 1 1228 . 1 1 123 123 LYS HA H 1 4.309 0.000 . . . . . . 615 . . . 7008 1 1229 . 1 1 123 123 LYS HB2 H 1 1.877 0.000 . . . . . . 615 . . . 7008 1 1230 . 1 1 123 123 LYS HB3 H 1 1.877 0.000 . . . . . . 615 . . . 7008 1 1231 . 1 1 123 123 LYS HG2 H 1 1.471 0.000 . . . . . . 615 . . . 7008 1 1232 . 1 1 123 123 LYS HG3 H 1 1.471 0.000 . . . . . . 615 . . . 7008 1 1233 . 1 1 123 123 LYS HD2 H 1 1.704 0.000 . . . . . . 615 . . . 7008 1 1234 . 1 1 123 123 LYS HD3 H 1 1.704 0.000 . . . . . . 615 . . . 7008 1 1235 . 1 1 123 123 LYS HE2 H 1 3.020 0.000 . . . . . . 615 . . . 7008 1 1236 . 1 1 123 123 LYS HE3 H 1 3.020 0.000 . . . . . . 615 . . . 7008 1 1237 . 1 1 123 123 LYS CA C 13 56.325 0.000 . . . . . . 615 . . . 7008 1 1238 . 1 1 123 123 LYS CB C 13 32.694 0.000 . . . . . . 615 . . . 7008 1 1239 . 1 1 123 123 LYS CG C 13 24.834 0.000 . . . . . . 615 . . . 7008 1 1240 . 1 1 123 123 LYS CD C 13 29.155 0.000 . . . . . . 615 . . . 7008 1 1241 . 1 1 123 123 LYS CE C 13 42.355 0.000 . . . . . . 615 . . . 7008 1 1242 . 1 1 123 123 LYS N N 15 119.904 0.000 . . . . . . 615 . . . 7008 1 1243 . 1 1 124 124 GLN H H 1 8.105 0.000 . . . . . . 616 . . . 7008 1 1244 . 1 1 124 124 GLN HA H 1 4.609 0.000 . . . . . . 616 . . . 7008 1 1245 . 1 1 124 124 GLN HB2 H 1 1.978 0.000 . . . . . . 616 . . . 7008 1 1246 . 1 1 124 124 GLN HB3 H 1 2.125 0.000 . . . . . . 616 . . . 7008 1 1247 . 1 1 124 124 GLN HG2 H 1 2.388 0.000 . . . . . . 616 . . . 7008 1 1248 . 1 1 124 124 GLN HG3 H 1 2.388 0.000 . . . . . . 616 . . . 7008 1 1249 . 1 1 124 124 GLN CA C 13 53.786 0.000 . . . . . . 616 . . . 7008 1 1250 . 1 1 124 124 GLN CB C 13 28.898 0.000 . . . . . . 616 . . . 7008 1 1251 . 1 1 124 124 GLN CG C 13 33.592 0.000 . . . . . . 616 . . . 7008 1 1252 . 1 1 124 124 GLN N N 15 121.354 0.000 . . . . . . 616 . . . 7008 1 1253 . 1 1 125 125 PRO HA H 1 4.462 0.000 . . . . . . 617 . . . 7008 1 1254 . 1 1 125 125 PRO HB2 H 1 1.934 0.000 . . . . . . 617 . . . 7008 1 1255 . 1 1 125 125 PRO HB3 H 1 2.293 0.000 . . . . . . 617 . . . 7008 1 1256 . 1 1 125 125 PRO HG2 H 1 2.051 0.000 . . . . . . 617 . . . 7008 1 1257 . 1 1 125 125 PRO HG3 H 1 2.051 0.000 . . . . . . 617 . . . 7008 1 1258 . 1 1 125 125 PRO HD2 H 1 3.671 0.000 . . . . . . 617 . . . 7008 1 1259 . 1 1 125 125 PRO HD3 H 1 3.781 0.000 . . . . . . 617 . . . 7008 1 1260 . 1 1 125 125 PRO CA C 13 63.188 0.000 . . . . . . 617 . . . 7008 1 1261 . 1 1 125 125 PRO CB C 13 32.038 0.000 . . . . . . 617 . . . 7008 1 1262 . 1 1 125 125 PRO CG C 13 27.383 0.000 . . . . . . 617 . . . 7008 1 1263 . 1 1 125 125 PRO CD C 13 50.741 0.000 . . . . . . 617 . . . 7008 1 1264 . 1 1 126 126 LEU H H 1 8.390 0.000 . . . . . . 618 . . . 7008 1 1265 . 1 1 126 126 LEU HA H 1 4.447 0.000 . . . . . . 618 . . . 7008 1 1266 . 1 1 126 126 LEU HB2 H 1 1.648 0.000 . . . . . . 618 . . . 7008 1 1267 . 1 1 126 126 LEU HB3 H 1 1.714 0.000 . . . . . . 618 . . . 7008 1 1268 . 1 1 126 126 LEU HG H 1 1.722 0.000 . . . . . . 618 . . . 7008 1 1269 . 1 1 126 126 LEU HD11 H 1 0.931 0.000 . . . . . . 618 . . . 7008 1 1270 . 1 1 126 126 LEU HD12 H 1 0.931 0.000 . . . . . . 618 . . . 7008 1 1271 . 1 1 126 126 LEU HD13 H 1 0.931 0.000 . . . . . . 618 . . . 7008 1 1272 . 1 1 126 126 LEU HD21 H 1 0.890 0.000 . . . . . . 618 . . . 7008 1 1273 . 1 1 126 126 LEU HD22 H 1 0.890 0.000 . . . . . . 618 . . . 7008 1 1274 . 1 1 126 126 LEU HD23 H 1 0.890 0.000 . . . . . . 618 . . . 7008 1 1275 . 1 1 126 126 LEU CA C 13 55.345 0.000 . . . . . . 618 . . . 7008 1 1276 . 1 1 126 126 LEU CB C 13 42.609 0.000 . . . . . . 618 . . . 7008 1 1277 . 1 1 126 126 LEU CG C 13 27.119 0.000 . . . . . . 618 . . . 7008 1 1278 . 1 1 126 126 LEU CD1 C 13 25.093 0.000 . . . . . . 618 . . . 7008 1 1279 . 1 1 126 126 LEU CD2 C 13 23.563 0.000 . . . . . . 618 . . . 7008 1 1280 . 1 1 126 126 LEU N N 15 122.313 0.000 . . . . . . 618 . . . 7008 1 1281 . 1 1 127 127 THR H H 1 8.229 0.000 . . . . . . 619 . . . 7008 1 1282 . 1 1 127 127 THR HA H 1 4.447 0.000 . . . . . . 619 . . . 7008 1 1283 . 1 1 127 127 THR HB H 1 4.404 0.000 . . . . . . 619 . . . 7008 1 1284 . 1 1 127 127 THR HG21 H 1 1.283 0.000 . . . . . . 619 . . . 7008 1 1285 . 1 1 127 127 THR HG22 H 1 1.283 0.000 . . . . . . 619 . . . 7008 1 1286 . 1 1 127 127 THR HG23 H 1 1.283 0.000 . . . . . . 619 . . . 7008 1 1287 . 1 1 127 127 THR CA C 13 61.662 0.000 . . . . . . 619 . . . 7008 1 1288 . 1 1 127 127 THR CB C 13 70.300 0.000 . . . . . . 619 . . . 7008 1 1289 . 1 1 127 127 THR CG2 C 13 21.794 0.000 . . . . . . 619 . . . 7008 1 1290 . 1 1 127 127 THR N N 15 113.542 0.000 . . . . . . 619 . . . 7008 1 1291 . 1 1 128 128 SER H H 1 8.464 0.000 . . . . . . 620 . . . 7008 1 1292 . 1 1 128 128 SER HA H 1 4.477 0.000 . . . . . . 620 . . . 7008 1 1293 . 1 1 128 128 SER HB2 H 1 3.975 0.000 . . . . . . 620 . . . 7008 1 1294 . 1 1 128 128 SER HB3 H 1 4.059 0.000 . . . . . . 620 . . . 7008 1 1295 . 1 1 128 128 SER CA C 13 59.229 0.000 . . . . . . 620 . . . 7008 1 1296 . 1 1 128 128 SER CB C 13 63.696 0.000 . . . . . . 620 . . . 7008 1 1297 . 1 1 128 128 SER N N 15 117.494 0.000 . . . . . . 620 . . . 7008 1 1298 . 1 1 129 129 LYS H H 1 8.376 0.000 . . . . . . 621 . . . 7008 1 1299 . 1 1 129 129 LYS HA H 1 4.236 0.000 . . . . . . 621 . . . 7008 1 1300 . 1 1 129 129 LYS HB2 H 1 1.868 0.000 . . . . . . 621 . . . 7008 1 1301 . 1 1 129 129 LYS HB3 H 1 1.868 0.000 . . . . . . 621 . . . 7008 1 1302 . 1 1 129 129 LYS HG2 H 1 1.509 0.000 . . . . . . 621 . . . 7008 1 1303 . 1 1 129 129 LYS HG3 H 1 1.509 0.000 . . . . . . 621 . . . 7008 1 1304 . 1 1 129 129 LYS HD2 H 1 1.741 0.000 . . . . . . 621 . . . 7008 1 1305 . 1 1 129 129 LYS HD3 H 1 1.741 0.000 . . . . . . 621 . . . 7008 1 1306 . 1 1 129 129 LYS CA C 13 58.351 0.000 . . . . . . 621 . . . 7008 1 1307 . 1 1 129 129 LYS CB C 13 32.714 0.000 . . . . . . 621 . . . 7008 1 1308 . 1 1 129 129 LYS CD C 13 29.157 0.000 . . . . . . 621 . . . 7008 1 1309 . 1 1 133 133 GLU H H 1 8.280 0.000 . . . . . . 625 . . . 7008 1 1310 . 1 1 133 133 GLU HA H 1 4.146 0.000 . . . . . . 625 . . . 7008 1 1311 . 1 1 133 133 GLU HB2 H 1 2.069 0.000 . . . . . . 625 . . . 7008 1 1312 . 1 1 133 133 GLU HB3 H 1 2.069 0.000 . . . . . . 625 . . . 7008 1 1313 . 1 1 133 133 GLU HG2 H 1 2.404 0.000 . . . . . . 625 . . . 7008 1 1314 . 1 1 133 133 GLU HG3 H 1 2.404 0.000 . . . . . . 625 . . . 7008 1 1315 . 1 1 133 133 GLU CG C 13 36.519 0.000 . . . . . . 625 . . . 7008 1 1316 . 1 1 133 133 GLU N N 15 119.929 0.000 . . . . . . 625 . . . 7008 1 1317 . 1 1 134 134 ARG H H 1 8.119 0.000 . . . . . . 626 . . . 7008 1 1318 . 1 1 134 134 ARG HA H 1 4.052 0.000 . . . . . . 626 . . . 7008 1 1319 . 1 1 134 134 ARG HB2 H 1 2.134 0.000 . . . . . . 626 . . . 7008 1 1320 . 1 1 134 134 ARG HB3 H 1 2.134 0.000 . . . . . . 626 . . . 7008 1 1321 . 1 1 134 134 ARG HG2 H 1 1.635 0.000 . . . . . . 626 . . . 7008 1 1322 . 1 1 134 134 ARG HG3 H 1 1.758 0.000 . . . . . . 626 . . . 7008 1 1323 . 1 1 134 134 ARG HD2 H 1 3.194 0.000 . . . . . . 626 . . . 7008 1 1324 . 1 1 134 134 ARG HD3 H 1 3.194 0.000 . . . . . . 626 . . . 7008 1 1325 . 1 1 134 134 ARG CA C 13 59.035 0.000 . . . . . . 626 . . . 7008 1 1326 . 1 1 134 134 ARG CB C 13 29.914 0.000 . . . . . . 626 . . . 7008 1 1327 . 1 1 134 134 ARG CG C 13 27.376 0.000 . . . . . . 626 . . . 7008 1 1328 . 1 1 134 134 ARG N N 15 120.677 0.000 . . . . . . 626 . . . 7008 1 1329 . 1 1 135 135 ARG H H 1 8.017 0.000 . . . . . . 627 . . . 7008 1 1330 . 1 1 135 135 ARG HA H 1 4.154 0.000 . . . . . . 627 . . . 7008 1 1331 . 1 1 135 135 ARG HB2 H 1 1.942 0.000 . . . . . . 627 . . . 7008 1 1332 . 1 1 135 135 ARG HB3 H 1 1.942 0.000 . . . . . . 627 . . . 7008 1 1333 . 1 1 135 135 ARG HG2 H 1 1.634 0.000 . . . . . . 627 . . . 7008 1 1334 . 1 1 135 135 ARG HG3 H 1 1.759 0.000 . . . . . . 627 . . . 7008 1 1335 . 1 1 135 135 ARG HD2 H 1 3.194 0.000 . . . . . . 627 . . . 7008 1 1336 . 1 1 135 135 ARG HD3 H 1 3.194 0.000 . . . . . . 627 . . . 7008 1 1337 . 1 1 135 135 ARG CA C 13 58.612 0.000 . . . . . . 627 . . . 7008 1 1338 . 1 1 135 135 ARG CB C 13 30.290 0.000 . . . . . . 627 . . . 7008 1 1339 . 1 1 135 135 ARG CG C 13 27.377 0.000 . . . . . . 627 . . . 7008 1 1340 . 1 1 135 135 ARG CD C 13 43.626 0.000 . . . . . . 627 . . . 7008 1 1341 . 1 1 135 135 ARG N N 15 120.114 0.000 . . . . . . 627 . . . 7008 1 1342 . 1 1 136 136 ILE H H 1 8.017 0.000 . . . . . . 628 . . . 7008 1 1343 . 1 1 136 136 ILE HA H 1 3.878 0.000 . . . . . . 628 . . . 7008 1 1344 . 1 1 136 136 ILE HB H 1 1.905 0.000 . . . . . . 628 . . . 7008 1 1345 . 1 1 136 136 ILE HG12 H 1 1.194 0.000 . . . . . . 628 . . . 7008 1 1346 . 1 1 136 136 ILE HG13 H 1 1.612 0.000 . . . . . . 628 . . . 7008 1 1347 . 1 1 136 136 ILE HG21 H 1 0.894 0.000 . . . . . . 628 . . . 7008 1 1348 . 1 1 136 136 ILE HG22 H 1 0.894 0.000 . . . . . . 628 . . . 7008 1 1349 . 1 1 136 136 ILE HG23 H 1 0.894 0.000 . . . . . . 628 . . . 7008 1 1350 . 1 1 136 136 ILE HD11 H 1 0.835 0.000 . . . . . . 628 . . . 7008 1 1351 . 1 1 136 136 ILE HD12 H 1 0.835 0.000 . . . . . . 628 . . . 7008 1 1352 . 1 1 136 136 ILE HD13 H 1 0.835 0.000 . . . . . . 628 . . . 7008 1 1353 . 1 1 136 136 ILE CA C 13 63.433 0.000 . . . . . . 628 . . . 7008 1 1354 . 1 1 136 136 ILE CB C 13 38.059 0.000 . . . . . . 628 . . . 7008 1 1355 . 1 1 136 136 ILE CG1 C 13 28.542 0.000 . . . . . . 628 . . . 7008 1 1356 . 1 1 136 136 ILE CG2 C 13 17.469 0.000 . . . . . . 628 . . . 7008 1 1357 . 1 1 136 136 ILE CD1 C 13 13.004 0.000 . . . . . . 628 . . . 7008 1 1358 . 1 1 136 136 ILE N N 15 119.614 0.000 . . . . . . 628 . . . 7008 1 1359 . 1 1 137 137 ALA H H 1 7.995 0.000 . . . . . . 629 . . . 7008 1 1360 . 1 1 137 137 ALA HA H 1 4.191 0.000 . . . . . . 629 . . . 7008 1 1361 . 1 1 137 137 ALA HB1 H 1 1.487 0.000 . . . . . . 629 . . . 7008 1 1362 . 1 1 137 137 ALA HB2 H 1 1.487 0.000 . . . . . . 629 . . . 7008 1 1363 . 1 1 137 137 ALA HB3 H 1 1.487 0.000 . . . . . . 629 . . . 7008 1 1364 . 1 1 137 137 ALA CA C 13 54.179 0.000 . . . . . . 629 . . . 7008 1 1365 . 1 1 137 137 ALA CB C 13 18.636 0.000 . . . . . . 629 . . . 7008 1 1366 . 1 1 137 137 ALA N N 15 124.049 0.000 . . . . . . 629 . . . 7008 1 1367 . 1 1 138 138 GLU H H 1 8.050 0.000 . . . . . . 630 . . . 7008 1 1368 . 1 1 138 138 GLU HA H 1 4.177 0.000 . . . . . . 630 . . . 7008 1 1369 . 1 1 138 138 GLU HB2 H 1 2.111 0.000 . . . . . . 630 . . . 7008 1 1370 . 1 1 138 138 GLU HB3 H 1 2.111 0.000 . . . . . . 630 . . . 7008 1 1371 . 1 1 138 138 GLU HG2 H 1 2.293 0.000 . . . . . . 630 . . . 7008 1 1372 . 1 1 138 138 GLU HG3 H 1 2.293 0.000 . . . . . . 630 . . . 7008 1 1373 . 1 1 138 138 GLU CA C 13 57.849 0.000 . . . . . . 630 . . . 7008 1 1374 . 1 1 138 138 GLU CB C 13 30.165 0.000 . . . . . . 630 . . . 7008 1 1375 . 1 1 138 138 GLU CG C 13 36.515 0.000 . . . . . . 630 . . . 7008 1 1376 . 1 1 138 138 GLU N N 15 117.783 0.000 . . . . . . 630 . . . 7008 1 1377 . 1 1 139 139 MET H H 1 7.951 0.000 . . . . . . 631 . . . 7008 1 1378 . 1 1 139 139 MET HA H 1 4.301 0.000 . . . . . . 631 . . . 7008 1 1379 . 1 1 139 139 MET HB2 H 1 2.057 0.000 . . . . . . 631 . . . 7008 1 1380 . 1 1 139 139 MET HB3 H 1 2.057 0.000 . . . . . . 631 . . . 7008 1 1381 . 1 1 139 139 MET HG2 H 1 2.542 0.000 . . . . . . 631 . . . 7008 1 1382 . 1 1 139 139 MET HG3 H 1 2.623 0.000 . . . . . . 631 . . . 7008 1 1383 . 1 1 139 139 MET HE1 H 1 2.029 0.000 . . . . . . 631 . . . 7008 1 1384 . 1 1 139 139 MET HE2 H 1 2.029 0.000 . . . . . . 631 . . . 7008 1 1385 . 1 1 139 139 MET HE3 H 1 2.029 0.000 . . . . . . 631 . . . 7008 1 1386 . 1 1 139 139 MET CA C 13 56.704 0.000 . . . . . . 631 . . . 7008 1 1387 . 1 1 139 139 MET CB C 13 33.009 0.000 . . . . . . 631 . . . 7008 1 1388 . 1 1 139 139 MET CG C 13 32.038 0.000 . . . . . . 631 . . . 7008 1 1389 . 1 1 139 139 MET CE C 13 17.083 0.000 . . . . . . 631 . . . 7008 1 1390 . 1 1 139 139 MET N N 15 118.483 0.000 . . . . . . 631 . . . 7008 1 1391 . 1 1 140 140 GLY H H 1 8.083 0.000 . . . . . . 632 . . . 7008 1 1392 . 1 1 140 140 GLY HA2 H 1 3.635 0.000 . . . . . . 632 . . . 7008 1 1393 . 1 1 140 140 GLY HA3 H 1 3.890 0.000 . . . . . . 632 . . . 7008 1 1394 . 1 1 140 140 GLY CA C 13 45.662 0.000 . . . . . . 632 . . . 7008 1 1395 . 1 1 140 140 GLY N N 15 107.952 0.000 . . . . . . 632 . . . 7008 1 1396 . 1 1 141 141 ARG H H 1 7.577 0.000 . . . . . . 633 . . . 7008 1 1397 . 1 1 141 141 ARG HA H 1 4.404 0.000 . . . . . . 633 . . . 7008 1 1398 . 1 1 141 141 ARG HB2 H 1 1.869 0.000 . . . . . . 633 . . . 7008 1 1399 . 1 1 141 141 ARG HB3 H 1 1.920 0.000 . . . . . . 633 . . . 7008 1 1400 . 1 1 141 141 ARG HG2 H 1 1.731 0.000 . . . . . . 633 . . . 7008 1 1401 . 1 1 141 141 ARG HG3 H 1 1.731 0.000 . . . . . . 633 . . . 7008 1 1402 . 1 1 141 141 ARG HD2 H 1 3.262 0.000 . . . . . . 633 . . . 7008 1 1403 . 1 1 141 141 ARG HD3 H 1 3.262 0.000 . . . . . . 633 . . . 7008 1 1404 . 1 1 141 141 ARG CA C 13 54.435 0.000 . . . . . . 633 . . . 7008 1 1405 . 1 1 141 141 ARG CB C 13 29.707 0.000 . . . . . . 633 . . . 7008 1 1406 . 1 1 141 141 ARG CG C 13 27.117 0.000 . . . . . . 633 . . . 7008 1 1407 . 1 1 141 141 ARG CD C 13 43.628 0.000 . . . . . . 633 . . . 7008 1 1408 . 1 1 141 141 ARG N N 15 120.677 0.000 . . . . . . 633 . . . 7008 1 1409 . 1 1 142 142 PRO HA H 1 5.319 0.000 . . . . . . 634 . . . 7008 1 1410 . 1 1 142 142 PRO HB2 H 1 1.766 0.000 . . . . . . 634 . . . 7008 1 1411 . 1 1 142 142 PRO HB3 H 1 2.081 0.000 . . . . . . 634 . . . 7008 1 1412 . 1 1 142 142 PRO HG2 H 1 1.795 0.000 . . . . . . 634 . . . 7008 1 1413 . 1 1 142 142 PRO HG3 H 1 2.008 0.000 . . . . . . 634 . . . 7008 1 1414 . 1 1 142 142 PRO HD2 H 1 3.470 0.000 . . . . . . 634 . . . 7008 1 1415 . 1 1 142 142 PRO HD3 H 1 3.922 0.000 . . . . . . 634 . . . 7008 1 1416 . 1 1 142 142 PRO CA C 13 62.421 0.000 . . . . . . 634 . . . 7008 1 1417 . 1 1 142 142 PRO CB C 13 32.714 0.000 . . . . . . 634 . . . 7008 1 1418 . 1 1 142 142 PRO CG C 13 26.870 0.000 . . . . . . 634 . . . 7008 1 1419 . 1 1 142 142 PRO CD C 13 49.324 0.000 . . . . . . 634 . . . 7008 1 1420 . 1 1 143 143 ILE H H 1 8.412 0.000 . . . . . . 635 . . . 7008 1 1421 . 1 1 143 143 ILE HA H 1 4.858 0.000 . . . . . . 635 . . . 7008 1 1422 . 1 1 143 143 ILE HB H 1 2.067 0.000 . . . . . . 635 . . . 7008 1 1423 . 1 1 143 143 ILE HG12 H 1 0.945 0.000 . . . . . . 635 . . . 7008 1 1424 . 1 1 143 143 ILE HG13 H 1 1.272 0.000 . . . . . . 635 . . . 7008 1 1425 . 1 1 143 143 ILE HG21 H 1 0.923 0.000 . . . . . . 635 . . . 7008 1 1426 . 1 1 143 143 ILE HG22 H 1 0.923 0.000 . . . . . . 635 . . . 7008 1 1427 . 1 1 143 143 ILE HG23 H 1 0.923 0.000 . . . . . . 635 . . . 7008 1 1428 . 1 1 143 143 ILE HD11 H 1 0.747 0.000 . . . . . . 635 . . . 7008 1 1429 . 1 1 143 143 ILE HD12 H 1 0.747 0.000 . . . . . . 635 . . . 7008 1 1430 . 1 1 143 143 ILE HD13 H 1 0.747 0.000 . . . . . . 635 . . . 7008 1 1431 . 1 1 143 143 ILE CA C 13 59.617 0.000 . . . . . . 635 . . . 7008 1 1432 . 1 1 143 143 ILE CB C 13 44.390 0.000 . . . . . . 635 . . . 7008 1 1433 . 1 1 143 143 ILE CG1 C 13 26.794 0.000 . . . . . . 635 . . . 7008 1 1434 . 1 1 143 143 ILE CG2 C 13 18.236 0.000 . . . . . . 635 . . . 7008 1 1435 . 1 1 143 143 ILE CD1 C 13 13.408 0.000 . . . . . . 635 . . . 7008 1 1436 . 1 1 143 143 ILE N N 15 112.964 0.000 . . . . . . 635 . . . 7008 1 1437 . 1 1 144 144 LEU H H 1 8.603 0.000 . . . . . . 636 . . . 7008 1 1438 . 1 1 144 144 LEU HA H 1 4.765 0.000 . . . . . . 636 . . . 7008 1 1439 . 1 1 144 144 LEU HB2 H 1 1.579 0.000 . . . . . . 636 . . . 7008 1 1440 . 1 1 144 144 LEU HB3 H 1 1.910 0.000 . . . . . . 636 . . . 7008 1 1441 . 1 1 144 144 LEU HD11 H 1 0.924 0.000 . . . . . . 636 . . . 7008 1 1442 . 1 1 144 144 LEU HD12 H 1 0.924 0.000 . . . . . . 636 . . . 7008 1 1443 . 1 1 144 144 LEU HD13 H 1 0.924 0.000 . . . . . . 636 . . . 7008 1 1444 . 1 1 144 144 LEU HD21 H 1 0.859 0.000 . . . . . . 636 . . . 7008 1 1445 . 1 1 144 144 LEU HD22 H 1 0.859 0.000 . . . . . . 636 . . . 7008 1 1446 . 1 1 144 144 LEU HD23 H 1 0.859 0.000 . . . . . . 636 . . . 7008 1 1447 . 1 1 144 144 LEU CA C 13 54.543 0.000 . . . . . . 636 . . . 7008 1 1448 . 1 1 144 144 LEU CB C 13 42.914 0.000 . . . . . . 636 . . . 7008 1 1449 . 1 1 144 144 LEU CD1 C 13 24.852 0.000 . . . . . . 636 . . . 7008 1 1450 . 1 1 144 144 LEU CD2 C 13 21.938 0.000 . . . . . . 636 . . . 7008 1 1451 . 1 1 144 144 LEU N N 15 120.796 0.000 . . . . . . 636 . . . 7008 1 1452 . 1 1 145 145 GLY H H 1 8.969 0.000 . . . . . . 637 . . . 7008 1 1453 . 1 1 145 145 GLY HA2 H 1 3.162 0.000 . . . . . . 637 . . . 7008 1 1454 . 1 1 145 145 GLY HA3 H 1 4.125 0.000 . . . . . . 637 . . . 7008 1 1455 . 1 1 145 145 GLY CA C 13 44.080 0.000 . . . . . . 637 . . . 7008 1 1456 . 1 1 145 145 GLY N N 15 109.398 0.000 . . . . . . 637 . . . 7008 1 1457 . 1 1 146 146 GLU H H 1 8.376 0.000 . . . . . . 638 . . . 7008 1 1458 . 1 1 146 146 GLU HA H 1 3.751 0.000 . . . . . . 638 . . . 7008 1 1459 . 1 1 146 146 GLU HB2 H 1 1.305 0.000 . . . . . . 638 . . . 7008 1 1460 . 1 1 146 146 GLU HB3 H 1 1.634 0.000 . . . . . . 638 . . . 7008 1 1461 . 1 1 146 146 GLU HG2 H 1 1.656 0.000 . . . . . . 638 . . . 7008 1 1462 . 1 1 146 146 GLU HG3 H 1 1.876 0.000 . . . . . . 638 . . . 7008 1 1463 . 1 1 146 146 GLU CA C 13 59.879 0.000 . . . . . . 638 . . . 7008 1 1464 . 1 1 146 146 GLU CB C 13 30.682 0.000 . . . . . . 638 . . . 7008 1 1465 . 1 1 146 146 GLU CG C 13 35.534 0.000 . . . . . . 638 . . . 7008 1 1466 . 1 1 146 146 GLU N N 15 120.452 0.000 . . . . . . 638 . . . 7008 1 1467 . 1 1 147 147 HIS H H 1 8.141 0.000 . . . . . . 639 . . . 7008 1 1468 . 1 1 147 147 HIS HA H 1 5.532 0.000 . . . . . . 639 . . . 7008 1 1469 . 1 1 147 147 HIS HB2 H 1 2.761 0.000 . . . . . . 639 . . . 7008 1 1470 . 1 1 147 147 HIS HB3 H 1 3.224 0.000 . . . . . . 639 . . . 7008 1 1471 . 1 1 147 147 HIS HD2 H 1 6.888 0.000 . . . . . . 639 . . . 7008 1 1472 . 1 1 147 147 HIS HE1 H 1 7.848 0.000 . . . . . . 639 . . . 7008 1 1473 . 1 1 147 147 HIS CA C 13 53.535 0.000 . . . . . . 639 . . . 7008 1 1474 . 1 1 147 147 HIS CB C 13 31.067 0.000 . . . . . . 639 . . . 7008 1 1475 . 1 1 147 147 HIS CD2 C 13 119.563 0.000 . . . . . . 639 . . . 7008 1 1476 . 1 1 147 147 HIS CE1 C 13 138.595 0.000 . . . . . . 639 . . . 7008 1 1477 . 1 1 147 147 HIS N N 15 115.153 0.000 . . . . . . 639 . . . 7008 1 1478 . 1 1 148 148 THR H H 1 8.559 0.000 . . . . . . 640 . . . 7008 1 1479 . 1 1 148 148 THR HA H 1 4.586 0.000 . . . . . . 640 . . . 7008 1 1480 . 1 1 148 148 THR HB H 1 4.724 0.000 . . . . . . 640 . . . 7008 1 1481 . 1 1 148 148 THR HG21 H 1 1.254 0.000 . . . . . . 640 . . . 7008 1 1482 . 1 1 148 148 THR HG22 H 1 1.254 0.000 . . . . . . 640 . . . 7008 1 1483 . 1 1 148 148 THR HG23 H 1 1.254 0.000 . . . . . . 640 . . . 7008 1 1484 . 1 1 148 148 THR CA C 13 61.365 0.000 . . . . . . 640 . . . 7008 1 1485 . 1 1 148 148 THR CG2 C 13 24.326 0.000 . . . . . . 640 . . . 7008 1 1486 . 1 1 148 148 THR N N 15 113.687 0.000 . . . . . . 640 . . . 7008 1 1487 . 1 1 149 149 LYS H H 1 8.053 0.000 . . . . . . 641 . . . 7008 1 1488 . 1 1 149 149 LYS HA H 1 5.414 0.000 . . . . . . 641 . . . 7008 1 1489 . 1 1 149 149 LYS HB2 H 1 1.803 0.000 . . . . . . 641 . . . 7008 1 1490 . 1 1 149 149 LYS HB3 H 1 1.920 0.000 . . . . . . 641 . . . 7008 1 1491 . 1 1 149 149 LYS HG2 H 1 1.393 0.000 . . . . . . 641 . . . 7008 1 1492 . 1 1 149 149 LYS HG3 H 1 1.393 0.000 . . . . . . 641 . . . 7008 1 1493 . 1 1 149 149 LYS HD2 H 1 1.525 0.000 . . . . . . 641 . . . 7008 1 1494 . 1 1 149 149 LYS HD3 H 1 1.525 0.000 . . . . . . 641 . . . 7008 1 1495 . 1 1 149 149 LYS HE2 H 1 2.506 0.000 . . . . . . 641 . . . 7008 1 1496 . 1 1 149 149 LYS HE3 H 1 2.586 0.000 . . . . . . 641 . . . 7008 1 1497 . 1 1 149 149 LYS CA C 13 55.564 0.000 . . . . . . 641 . . . 7008 1 1498 . 1 1 149 149 LYS CB C 13 35.250 0.000 . . . . . . 641 . . . 7008 1 1499 . 1 1 149 149 LYS CG C 13 25.601 0.000 . . . . . . 641 . . . 7008 1 1500 . 1 1 149 149 LYS CD C 13 29.513 0.000 . . . . . . 641 . . . 7008 1 1501 . 1 1 149 149 LYS CE C 13 41.598 0.000 . . . . . . 641 . . . 7008 1 1502 . 1 1 149 149 LYS N N 15 123.271 0.000 . . . . . . 641 . . . 7008 1 1503 . 1 1 150 150 LEU H H 1 9.196 0.000 . . . . . . 642 . . . 7008 1 1504 . 1 1 150 150 LEU HA H 1 4.345 0.000 . . . . . . 642 . . . 7008 1 1505 . 1 1 150 150 LEU HB2 H 1 0.015 0.000 . . . . . . 642 . . . 7008 1 1506 . 1 1 150 150 LEU HB3 H 1 0.938 0.000 . . . . . . 642 . . . 7008 1 1507 . 1 1 150 150 LEU HG H 1 0.740 0.000 . . . . . . 642 . . . 7008 1 1508 . 1 1 150 150 LEU HD11 H 1 0.381 0.000 . . . . . . 642 . . . 7008 1 1509 . 1 1 150 150 LEU HD12 H 1 0.381 0.000 . . . . . . 642 . . . 7008 1 1510 . 1 1 150 150 LEU HD13 H 1 0.381 0.000 . . . . . . 642 . . . 7008 1 1511 . 1 1 150 150 LEU HD21 H 1 0.242 0.000 . . . . . . 642 . . . 7008 1 1512 . 1 1 150 150 LEU HD22 H 1 0.242 0.000 . . . . . . 642 . . . 7008 1 1513 . 1 1 150 150 LEU HD23 H 1 0.242 0.000 . . . . . . 642 . . . 7008 1 1514 . 1 1 150 150 LEU CA C 13 53.402 0.000 . . . . . . 642 . . . 7008 1 1515 . 1 1 150 150 LEU CB C 13 44.389 0.000 . . . . . . 642 . . . 7008 1 1516 . 1 1 150 150 LEU CG C 13 26.356 0.000 . . . . . . 642 . . . 7008 1 1517 . 1 1 150 150 LEU CD1 C 13 23.318 0.000 . . . . . . 642 . . . 7008 1 1518 . 1 1 150 150 LEU CD2 C 13 27.380 0.000 . . . . . . 642 . . . 7008 1 1519 . 1 1 150 150 LEU N N 15 130.599 0.000 . . . . . . 642 . . . 7008 1 1520 . 1 1 151 151 GLU H H 1 8.266 0.000 . . . . . . 643 . . . 7008 1 1521 . 1 1 151 151 GLU HA H 1 4.030 0.000 . . . . . . 643 . . . 7008 1 1522 . 1 1 151 151 GLU HB2 H 1 1.927 0.000 . . . . . . 643 . . . 7008 1 1523 . 1 1 151 151 GLU HB3 H 1 2.147 0.000 . . . . . . 643 . . . 7008 1 1524 . 1 1 151 151 GLU HG2 H 1 2.110 0.000 . . . . . . 643 . . . 7008 1 1525 . 1 1 151 151 GLU HG3 H 1 2.110 0.000 . . . . . . 643 . . . 7008 1 1526 . 1 1 151 151 GLU CA C 13 55.345 0.000 . . . . . . 643 . . . 7008 1 1527 . 1 1 151 151 GLU CB C 13 31.067 0.000 . . . . . . 643 . . . 7008 1 1528 . 1 1 151 151 GLU N N 15 129.349 0.000 . . . . . . 643 . . . 7008 1 1529 . 1 1 152 152 VAL H H 1 8.610 0.000 . . . . . . 644 . . . 7008 1 1530 . 1 1 152 152 VAL HA H 1 3.785 0.000 . . . . . . 644 . . . 7008 1 1531 . 1 1 152 152 VAL HB H 1 0.249 0.000 . . . . . . 644 . . . 7008 1 1532 . 1 1 152 152 VAL HG11 H 1 0.183 0.000 . . . . . . 644 . . . 7008 1 1533 . 1 1 152 152 VAL HG12 H 1 0.183 0.000 . . . . . . 644 . . . 7008 1 1534 . 1 1 152 152 VAL HG13 H 1 0.183 0.000 . . . . . . 644 . . . 7008 1 1535 . 1 1 152 152 VAL HG21 H 1 -0.139 0.000 . . . . . . 644 . . . 7008 1 1536 . 1 1 152 152 VAL HG22 H 1 -0.139 0.000 . . . . . . 644 . . . 7008 1 1537 . 1 1 152 152 VAL HG23 H 1 -0.139 0.000 . . . . . . 644 . . . 7008 1 1538 . 1 1 152 152 VAL CA C 13 60.893 0.000 . . . . . . 644 . . . 7008 1 1539 . 1 1 152 152 VAL CB C 13 31.067 0.000 . . . . . . 644 . . . 7008 1 1540 . 1 1 152 152 VAL CG1 C 13 22.683 0.000 . . . . . . 644 . . . 7008 1 1541 . 1 1 152 152 VAL CG2 C 13 19.759 0.000 . . . . . . 644 . . . 7008 1 1542 . 1 1 152 152 VAL N N 15 128.232 0.000 . . . . . . 644 . . . 7008 1 1543 . 1 1 153 153 ILE H H 1 8.229 0.000 . . . . . . 645 . . . 7008 1 1544 . 1 1 153 153 ILE HA H 1 4.103 0.000 . . . . . . 645 . . . 7008 1 1545 . 1 1 153 153 ILE HB H 1 1.063 0.000 . . . . . . 645 . . . 7008 1 1546 . 1 1 153 153 ILE HG12 H 1 0.747 0.000 . . . . . . 645 . . . 7008 1 1547 . 1 1 153 153 ILE HG13 H 1 1.114 0.000 . . . . . . 645 . . . 7008 1 1548 . 1 1 153 153 ILE HG21 H 1 0.608 0.000 . . . . . . 645 . . . 7008 1 1549 . 1 1 153 153 ILE HG22 H 1 0.608 0.000 . . . . . . 645 . . . 7008 1 1550 . 1 1 153 153 ILE HG23 H 1 0.608 0.000 . . . . . . 645 . . . 7008 1 1551 . 1 1 153 153 ILE HD11 H 1 0.403 0.000 . . . . . . 645 . . . 7008 1 1552 . 1 1 153 153 ILE HD12 H 1 0.403 0.000 . . . . . . 645 . . . 7008 1 1553 . 1 1 153 153 ILE HD13 H 1 0.403 0.000 . . . . . . 645 . . . 7008 1 1554 . 1 1 153 153 ILE CA C 13 60.388 0.000 . . . . . . 645 . . . 7008 1 1555 . 1 1 153 153 ILE CB C 13 38.447 0.000 . . . . . . 645 . . . 7008 1 1556 . 1 1 153 153 ILE CG1 C 13 27.765 0.000 . . . . . . 645 . . . 7008 1 1557 . 1 1 153 153 ILE CG2 C 13 17.731 0.000 . . . . . . 645 . . . 7008 1 1558 . 1 1 153 153 ILE CD1 C 13 13.919 0.000 . . . . . . 645 . . . 7008 1 1559 . 1 1 153 153 ILE N N 15 126.315 0.000 . . . . . . 645 . . . 7008 1 1560 . 1 1 154 154 ILE H H 1 9.057 0.000 . . . . . . 646 . . . 7008 1 1561 . 1 1 154 154 ILE HA H 1 4.432 0.000 . . . . . . 646 . . . 7008 1 1562 . 1 1 154 154 ILE HB H 1 1.788 0.000 . . . . . . 646 . . . 7008 1 1563 . 1 1 154 154 ILE HG12 H 1 0.602 0.000 . . . . . . 646 . . . 7008 1 1564 . 1 1 154 154 ILE HG13 H 1 1.627 0.000 . . . . . . 646 . . . 7008 1 1565 . 1 1 154 154 ILE HG21 H 1 0.850 0.000 . . . . . . 646 . . . 7008 1 1566 . 1 1 154 154 ILE HG22 H 1 0.850 0.000 . . . . . . 646 . . . 7008 1 1567 . 1 1 154 154 ILE HG23 H 1 0.850 0.000 . . . . . . 646 . . . 7008 1 1568 . 1 1 154 154 ILE HD11 H 1 0.938 0.000 . . . . . . 646 . . . 7008 1 1569 . 1 1 154 154 ILE HD12 H 1 0.938 0.000 . . . . . . 646 . . . 7008 1 1570 . 1 1 154 154 ILE HD13 H 1 0.938 0.000 . . . . . . 646 . . . 7008 1 1571 . 1 1 154 154 ILE CA C 13 60.783 0.000 . . . . . . 646 . . . 7008 1 1572 . 1 1 154 154 ILE CB C 13 37.790 0.000 . . . . . . 646 . . . 7008 1 1573 . 1 1 154 154 ILE CG1 C 13 26.614 0.000 . . . . . . 646 . . . 7008 1 1574 . 1 1 154 154 ILE CG2 C 13 18.636 0.000 . . . . . . 646 . . . 7008 1 1575 . 1 1 154 154 ILE CD1 C 13 13.924 0.000 . . . . . . 646 . . . 7008 1 1576 . 1 1 154 154 ILE N N 15 127.555 0.000 . . . . . . 646 . . . 7008 1 1577 . 1 1 155 155 GLU H H 1 9.467 0.000 . . . . . . 647 . . . 7008 1 1578 . 1 1 155 155 GLU HA H 1 4.242 0.000 . . . . . . 647 . . . 7008 1 1579 . 1 1 155 155 GLU HG2 H 1 2.140 0.000 . . . . . . 647 . . . 7008 1 1580 . 1 1 155 155 GLU HG3 H 1 2.375 0.000 . . . . . . 647 . . . 7008 1 1581 . 1 1 155 155 GLU CA C 13 55.539 0.000 . . . . . . 647 . . . 7008 1 1582 . 1 1 155 155 GLU CG C 13 36.699 0.000 . . . . . . 647 . . . 7008 1 1583 . 1 1 155 155 GLU N N 15 128.570 0.000 . . . . . . 647 . . . 7008 1 1584 . 1 1 156 156 GLU H H 1 8.215 0.000 . . . . . . 648 . . . 7008 1 1585 . 1 1 156 156 GLU HA H 1 4.484 0.000 . . . . . . 648 . . . 7008 1 1586 . 1 1 156 156 GLU HB2 H 1 2.066 0.000 . . . . . . 648 . . . 7008 1 1587 . 1 1 156 156 GLU HB3 H 1 2.293 0.000 . . . . . . 648 . . . 7008 1 1588 . 1 1 156 156 GLU CA C 13 56.316 0.000 . . . . . . 648 . . . 7008 1 1589 . 1 1 156 156 GLU CB C 13 30.872 0.000 . . . . . . 648 . . . 7008 1 1590 . 1 1 156 156 GLU N N 15 127.422 0.000 . . . . . . 648 . . . 7008 1 1591 . 1 1 157 157 SER H H 1 9.431 0.000 . . . . . . 649 . . . 7008 1 1592 . 1 1 157 157 SER HA H 1 4.763 0.000 . . . . . . 649 . . . 7008 1 1593 . 1 1 157 157 SER HB2 H 1 3.942 0.000 . . . . . . 649 . . . 7008 1 1594 . 1 1 157 157 SER HB3 H 1 4.220 0.000 . . . . . . 649 . . . 7008 1 1595 . 1 1 157 157 SER CA C 13 58.358 0.000 . . . . . . 649 . . . 7008 1 1596 . 1 1 157 157 SER CB C 13 65.444 0.000 . . . . . . 649 . . . 7008 1 1597 . 1 1 157 157 SER N N 15 122.699 0.000 . . . . . . 649 . . . 7008 1 1598 . 1 1 158 158 TYR H H 1 10.336 0.003 . . . . . . 650 . . . 7008 1 1599 . 1 1 158 158 TYR HA H 1 4.285 0.000 . . . . . . 650 . . . 7008 1 1600 . 1 1 158 158 TYR HB2 H 1 2.813 0.000 . . . . . . 650 . . . 7008 1 1601 . 1 1 158 158 TYR HB3 H 1 3.473 0.000 . . . . . . 650 . . . 7008 1 1602 . 1 1 158 158 TYR HD1 H 1 6.903 0.000 . . . . . . 650 . . . 7008 1 1603 . 1 1 158 158 TYR HD2 H 1 6.903 0.000 . . . . . . 650 . . . 7008 1 1604 . 1 1 158 158 TYR HE1 H 1 6.727 0.000 . . . . . . 650 . . . 7008 1 1605 . 1 1 158 158 TYR HE2 H 1 6.727 0.000 . . . . . . 650 . . . 7008 1 1606 . 1 1 158 158 TYR CA C 13 60.589 0.000 . . . . . . 650 . . . 7008 1 1607 . 1 1 158 158 TYR CB C 13 39.055 0.000 . . . . . . 650 . . . 7008 1 1608 . 1 1 158 158 TYR CD1 C 13 133.158 0.000 . . . . . . 650 . . . 7008 1 1609 . 1 1 158 158 TYR CE1 C 13 118.398 0.000 . . . . . . 650 . . . 7008 1 1610 . 1 1 158 158 TYR N N 15 128.193 0.000 . . . . . . 650 . . . 7008 1 1611 . 1 1 159 159 GLU H H 1 7.980 0.000 . . . . . . 651 . . . 7008 1 1612 . 1 1 159 159 GLU HA H 1 4.221 0.000 . . . . . . 651 . . . 7008 1 1613 . 1 1 159 159 GLU HB2 H 1 1.766 0.000 . . . . . . 651 . . . 7008 1 1614 . 1 1 159 159 GLU HB3 H 1 1.846 0.000 . . . . . . 651 . . . 7008 1 1615 . 1 1 159 159 GLU HG2 H 1 2.059 0.000 . . . . . . 651 . . . 7008 1 1616 . 1 1 159 159 GLU HG3 H 1 2.147 0.000 . . . . . . 651 . . . 7008 1 1617 . 1 1 159 159 GLU CA C 13 56.510 0.000 . . . . . . 651 . . . 7008 1 1618 . 1 1 159 159 GLU CB C 13 30.547 0.000 . . . . . . 651 . . . 7008 1 1619 . 1 1 159 159 GLU CG C 13 36.258 0.000 . . . . . . 651 . . . 7008 1 1620 . 1 1 159 159 GLU N N 15 121.579 0.000 . . . . . . 651 . . . 7008 1 1621 . 1 1 160 160 PHE H H 1 7.951 0.000 . . . . . . 652 . . . 7008 1 1622 . 1 1 160 160 PHE HA H 1 4.412 0.000 . . . . . . 652 . . . 7008 1 1623 . 1 1 160 160 PHE HB2 H 1 2.916 0.000 . . . . . . 652 . . . 7008 1 1624 . 1 1 160 160 PHE HB3 H 1 3.070 0.000 . . . . . . 652 . . . 7008 1 1625 . 1 1 160 160 PHE HD1 H 1 7.203 0.000 . . . . . . 652 . . . 7008 1 1626 . 1 1 160 160 PHE HD2 H 1 7.203 0.000 . . . . . . 652 . . . 7008 1 1627 . 1 1 160 160 PHE HE1 H 1 7.313 0.000 . . . . . . 652 . . . 7008 1 1628 . 1 1 160 160 PHE HE2 H 1 7.313 0.000 . . . . . . 652 . . . 7008 1 1629 . 1 1 160 160 PHE CA C 13 57.847 0.000 . . . . . . 652 . . . 7008 1 1630 . 1 1 160 160 PHE CB C 13 39.308 0.000 . . . . . . 652 . . . 7008 1 1631 . 1 1 160 160 PHE CD1 C 13 131.798 0.000 . . . . . . 652 . . . 7008 1 1632 . 1 1 160 160 PHE CE1 C 13 131.604 0.000 . . . . . . 652 . . . 7008 1 1633 . 1 1 160 160 PHE N N 15 121.128 0.000 . . . . . . 652 . . . 7008 1 1634 . 1 1 161 161 LYS H H 1 7.899 0.000 . . . . . . 653 . . . 7008 1 1635 . 1 1 161 161 LYS HA H 1 4.279 0.000 . . . . . . 653 . . . 7008 1 1636 . 1 1 161 161 LYS HB2 H 1 1.663 0.000 . . . . . . 653 . . . 7008 1 1637 . 1 1 161 161 LYS HB3 H 1 1.766 0.000 . . . . . . 653 . . . 7008 1 1638 . 1 1 161 161 LYS HG2 H 1 1.385 0.000 . . . . . . 653 . . . 7008 1 1639 . 1 1 161 161 LYS HG3 H 1 1.385 0.000 . . . . . . 653 . . . 7008 1 1640 . 1 1 161 161 LYS HD2 H 1 1.648 0.000 . . . . . . 653 . . . 7008 1 1641 . 1 1 161 161 LYS HD3 H 1 1.648 0.000 . . . . . . 653 . . . 7008 1 1642 . 1 1 161 161 LYS CA C 13 56.324 0.000 . . . . . . 653 . . . 7008 1 1643 . 1 1 161 161 LYS CB C 13 33.397 0.000 . . . . . . 653 . . . 7008 1 1644 . 1 1 161 161 LYS CG C 13 24.590 0.000 . . . . . . 653 . . . 7008 1 1645 . 1 1 161 161 LYS CD C 13 29.155 0.000 . . . . . . 653 . . . 7008 1 1646 . 1 1 161 161 LYS N N 15 122.892 0.000 . . . . . . 653 . . . 7008 1 1647 . 1 1 162 162 SER H H 1 8.178 0.000 . . . . . . 654 . . . 7008 1 1648 . 1 1 162 162 SER HA H 1 4.456 0.000 . . . . . . 654 . . . 7008 1 1649 . 1 1 162 162 SER HB2 H 1 3.832 0.000 . . . . . . 654 . . . 7008 1 1650 . 1 1 162 162 SER HB3 H 1 3.832 0.000 . . . . . . 654 . . . 7008 1 1651 . 1 1 162 162 SER CB C 13 63.943 0.000 . . . . . . 654 . . . 7008 1 1652 . 1 1 162 162 SER N N 15 116.819 0.000 . . . . . . 654 . . . 7008 1 1653 . 1 1 163 163 THR H H 1 8.097 0.000 . . . . . . 655 . . . 7008 1 1654 . 1 1 163 163 THR N N 15 115.663 0.000 . . . . . . 655 . . . 7008 1 1655 . 1 1 164 164 VAL H H 1 8.072 0.000 . . . . . . 656 . . . 7008 1 1656 . 1 1 164 164 VAL HA H 1 4.228 0.000 . . . . . . 656 . . . 7008 1 1657 . 1 1 164 164 VAL HB H 1 2.154 0.000 . . . . . . 656 . . . 7008 1 1658 . 1 1 164 164 VAL HG11 H 1 0.960 0.000 . . . . . . 656 . . . 7008 1 1659 . 1 1 164 164 VAL HG12 H 1 0.960 0.000 . . . . . . 656 . . . 7008 1 1660 . 1 1 164 164 VAL HG13 H 1 0.960 0.000 . . . . . . 656 . . . 7008 1 1661 . 1 1 164 164 VAL HG21 H 1 0.923 0.000 . . . . . . 656 . . . 7008 1 1662 . 1 1 164 164 VAL HG22 H 1 0.923 0.000 . . . . . . 656 . . . 7008 1 1663 . 1 1 164 164 VAL HG23 H 1 0.923 0.000 . . . . . . 656 . . . 7008 1 1664 . 1 1 164 164 VAL CA C 13 62.167 0.000 . . . . . . 656 . . . 7008 1 1665 . 1 1 164 164 VAL CB C 13 32.962 0.000 . . . . . . 656 . . . 7008 1 1666 . 1 1 164 164 VAL CG1 C 13 21.282 0.000 . . . . . . 656 . . . 7008 1 1667 . 1 1 164 164 VAL CG2 C 13 20.017 0.000 . . . . . . 656 . . . 7008 1 1668 . 1 1 164 164 VAL N N 15 121.060 0.000 . . . . . . 656 . . . 7008 1 1669 . 1 1 165 165 ASP H H 1 7.933 0.000 . . . . . . 657 . . . 7008 1 1670 . 1 1 165 165 ASP HA H 1 4.425 0.000 . . . . . . 657 . . . 7008 1 1671 . 1 1 165 165 ASP HB2 H 1 2.601 0.000 . . . . . . 657 . . . 7008 1 1672 . 1 1 165 165 ASP HB3 H 1 2.675 0.000 . . . . . . 657 . . . 7008 1 1673 . 1 1 165 165 ASP CA C 13 55.927 0.000 . . . . . . 657 . . . 7008 1 1674 . 1 1 165 165 ASP CB C 13 42.356 0.000 . . . . . . 657 . . . 7008 1 1675 . 1 1 165 165 ASP N N 15 129.021 0.000 . . . . . . 657 . . . 7008 1 stop_ save_