data_5879 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5879 _Entry.Title ; Structure of a Type IVb pilin from Salmonella typhi and its assembly into pilus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-23 _Entry.Accession_date 2003-07-23 _Entry.Last_release_date 2003-07-23 _Entry.Original_release_date 2003-07-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Xing-Fu Xu . . . . 5879 2 Yih-Wan Tan . . . . 5879 3 James Hackett . A. . . 5879 4 Mingjie Zhang . . . . 5879 5 Yu-Keung Mok . . . . 5879 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5879 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 563 5879 '15N chemical shifts' 152 5879 '1H chemical shifts' 883 5879 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 . . 2004-07-23 . original BMRB . 5879 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5879 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15159389 _Citation.Full_citation . _Citation.Title ; NMR Structure of a Type IVb pilin from Salmonella typhi and its assembly into pilus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xing-Fu Xu . . . . 5879 1 2 Yih-Wan Tan . . . . 5879 1 3 L. Lam . . . . 5879 1 4 James Hackett . A. . . 5879 1 5 Mingjie Zhang . . . . 5879 1 6 Yu-Keung Mok . . . . 5879 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Type_4b_pilin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Type_4b_pilin _Assembly.Entry_ID 5879 _Assembly.ID 1 _Assembly.Name 'S.typhi type IVb pilin' _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 'all disulfide bound' _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 5879 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 'S.typhi type IVb pilin' 1 $PilS . . . native . . . . . 5879 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 101 101 SG . 1 . 1 CYS 138 138 SG . . . . . . . . . . . . 5879 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'S.typhi type IVb pilin' system 5879 1 'Type 4b pilin' abbreviation 5879 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Bacterial host adherence factor' 5879 1 Pilin 5879 1 'Virulence factor' 5879 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PilS _Entity.Sf_category entity _Entity.Sf_framecode PilS _Entity.Entry_ID 5879 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'S. typhi PilS' _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 ; MWGKKDAGTELTNYQTLATN TIGMMKGVDGYAFTSGAKMT DTLIQAGAAKGMTVSGDPAS GSATLWNSWGGQIVVAPDTA GGTGFNNGFTITTNKVPQSA CVSISTGMSRSGGTSGIKIN GNNHTDAKVTAEIASSECTA DNGRTGTNTLVFNYNG ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 1Q5F . 'Nmr Structure Of Type Ivb Pilin (Pils) From Salmonella Typhi' . . . . . 100.00 156 100.00 100.00 1.98e-83 . . . . 5879 1 . . EMBL CAD09325 . 'prepilin [Salmonella enterica subsp. enterica serovar Typhi]' . . . . . 100.00 211 100.00 100.00 9.57e-84 . . . . 5879 1 . . GenBank AAC98887 . 'PilS [Salmonella typhi]' . . . . . 100.00 206 100.00 100.00 1.33e-83 . . . . 5879 1 . . GenBank AAF81215 . 'PilS [Salmonella enterica subsp. enterica serovar Dublin]' . . . . . 100.00 206 100.00 100.00 1.33e-83 . . . . 5879 1 . . GenBank AAO71706 . 'prepilin [Salmonella enterica subsp. enterica serovar Typhi Ty2]' . . . . . 100.00 211 100.00 100.00 9.57e-84 . . . . 5879 1 . . GenBank AAP83037 . 'PilS [Salmonella enterica subsp. enterica serovar Paratyphi C]' . . . . . 100.00 206 100.00 100.00 1.33e-83 . . . . 5879 1 . . PIR AD1028 . 'prepilin [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)' . . . . . 100.00 211 100.00 100.00 9.57e-84 . . . . 5879 1 . . REF NP_458635 . 'prepilin [Salmonella enterica subsp. enterica serovar Typhi str. CT18]' . . . . . 100.00 211 100.00 100.00 9.57e-84 . . . . 5879 1 . . REF NP_807846 . 'prepilin [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]' . . . . . 100.00 211 100.00 100.00 9.57e-84 . . . . 5879 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PilS abbreviation 5879 1 'S. typhi PilS' common 5879 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 26 MET . 5879 1 2 27 TRP . 5879 1 3 28 GLY . 5879 1 4 29 LYS . 5879 1 5 30 LYS . 5879 1 6 31 ASP . 5879 1 7 32 ALA . 5879 1 8 33 GLY . 5879 1 9 34 THR . 5879 1 10 35 GLU . 5879 1 11 36 LEU . 5879 1 12 37 THR . 5879 1 13 38 ASN . 5879 1 14 39 TYR . 5879 1 15 40 GLN . 5879 1 16 41 THR . 5879 1 17 42 LEU . 5879 1 18 43 ALA . 5879 1 19 44 THR . 5879 1 20 45 ASN . 5879 1 21 46 THR . 5879 1 22 47 ILE . 5879 1 23 48 GLY . 5879 1 24 49 MET . 5879 1 25 50 MET . 5879 1 26 51 LYS . 5879 1 27 52 GLY . 5879 1 28 53 VAL . 5879 1 29 54 ASP . 5879 1 30 55 GLY . 5879 1 31 56 TYR . 5879 1 32 57 ALA . 5879 1 33 58 PHE . 5879 1 34 59 THR . 5879 1 35 60 SER . 5879 1 36 61 GLY . 5879 1 37 62 ALA . 5879 1 38 63 LYS . 5879 1 39 64 MET . 5879 1 40 65 THR . 5879 1 41 66 ASP . 5879 1 42 67 THR . 5879 1 43 68 LEU . 5879 1 44 69 ILE . 5879 1 45 70 GLN . 5879 1 46 71 ALA . 5879 1 47 72 GLY . 5879 1 48 73 ALA . 5879 1 49 74 ALA . 5879 1 50 75 LYS . 5879 1 51 76 GLY . 5879 1 52 77 MET . 5879 1 53 78 THR . 5879 1 54 79 VAL . 5879 1 55 80 SER . 5879 1 56 81 GLY . 5879 1 57 82 ASP . 5879 1 58 83 PRO . 5879 1 59 84 ALA . 5879 1 60 85 SER . 5879 1 61 86 GLY . 5879 1 62 87 SER . 5879 1 63 88 ALA . 5879 1 64 89 THR . 5879 1 65 90 LEU . 5879 1 66 91 TRP . 5879 1 67 92 ASN . 5879 1 68 93 SER . 5879 1 69 94 TRP . 5879 1 70 95 GLY . 5879 1 71 96 GLY . 5879 1 72 97 GLN . 5879 1 73 98 ILE . 5879 1 74 99 VAL . 5879 1 75 100 VAL . 5879 1 76 101 ALA . 5879 1 77 102 PRO . 5879 1 78 103 ASP . 5879 1 79 104 THR . 5879 1 80 105 ALA . 5879 1 81 106 GLY . 5879 1 82 107 GLY . 5879 1 83 108 THR . 5879 1 84 109 GLY . 5879 1 85 110 PHE . 5879 1 86 111 ASN . 5879 1 87 112 ASN . 5879 1 88 113 GLY . 5879 1 89 114 PHE . 5879 1 90 115 THR . 5879 1 91 116 ILE . 5879 1 92 117 THR . 5879 1 93 118 THR . 5879 1 94 119 ASN . 5879 1 95 120 LYS . 5879 1 96 121 VAL . 5879 1 97 122 PRO . 5879 1 98 123 GLN . 5879 1 99 124 SER . 5879 1 100 125 ALA . 5879 1 101 126 CYS . 5879 1 102 127 VAL . 5879 1 103 128 SER . 5879 1 104 129 ILE . 5879 1 105 130 SER . 5879 1 106 131 THR . 5879 1 107 132 GLY . 5879 1 108 133 MET . 5879 1 109 134 SER . 5879 1 110 135 ARG . 5879 1 111 136 SER . 5879 1 112 137 GLY . 5879 1 113 138 GLY . 5879 1 114 139 THR . 5879 1 115 140 SER . 5879 1 116 141 GLY . 5879 1 117 142 ILE . 5879 1 118 143 LYS . 5879 1 119 144 ILE . 5879 1 120 145 ASN . 5879 1 121 146 GLY . 5879 1 122 147 ASN . 5879 1 123 148 ASN . 5879 1 124 149 HIS . 5879 1 125 150 THR . 5879 1 126 151 ASP . 5879 1 127 152 ALA . 5879 1 128 153 LYS . 5879 1 129 154 VAL . 5879 1 130 155 THR . 5879 1 131 156 ALA . 5879 1 132 157 GLU . 5879 1 133 158 ILE . 5879 1 134 159 ALA . 5879 1 135 160 SER . 5879 1 136 161 SER . 5879 1 137 162 GLU . 5879 1 138 163 CYS . 5879 1 139 164 THR . 5879 1 140 165 ALA . 5879 1 141 166 ASP . 5879 1 142 167 ASN . 5879 1 143 168 GLY . 5879 1 144 169 ARG . 5879 1 145 170 THR . 5879 1 146 171 GLY . 5879 1 147 172 THR . 5879 1 148 173 ASN . 5879 1 149 174 THR . 5879 1 150 175 LEU . 5879 1 151 176 VAL . 5879 1 152 177 PHE . 5879 1 153 178 ASN . 5879 1 154 179 TYR . 5879 1 155 180 ASN . 5879 1 156 181 GLY . 5879 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 5879 1 . TRP 2 2 5879 1 . GLY 3 3 5879 1 . LYS 4 4 5879 1 . LYS 5 5 5879 1 . ASP 6 6 5879 1 . ALA 7 7 5879 1 . GLY 8 8 5879 1 . THR 9 9 5879 1 . GLU 10 10 5879 1 . LEU 11 11 5879 1 . THR 12 12 5879 1 . ASN 13 13 5879 1 . TYR 14 14 5879 1 . GLN 15 15 5879 1 . THR 16 16 5879 1 . LEU 17 17 5879 1 . ALA 18 18 5879 1 . THR 19 19 5879 1 . ASN 20 20 5879 1 . THR 21 21 5879 1 . ILE 22 22 5879 1 . GLY 23 23 5879 1 . MET 24 24 5879 1 . MET 25 25 5879 1 . LYS 26 26 5879 1 . GLY 27 27 5879 1 . VAL 28 28 5879 1 . ASP 29 29 5879 1 . GLY 30 30 5879 1 . TYR 31 31 5879 1 . ALA 32 32 5879 1 . PHE 33 33 5879 1 . THR 34 34 5879 1 . SER 35 35 5879 1 . GLY 36 36 5879 1 . ALA 37 37 5879 1 . LYS 38 38 5879 1 . MET 39 39 5879 1 . THR 40 40 5879 1 . ASP 41 41 5879 1 . THR 42 42 5879 1 . LEU 43 43 5879 1 . ILE 44 44 5879 1 . GLN 45 45 5879 1 . ALA 46 46 5879 1 . GLY 47 47 5879 1 . ALA 48 48 5879 1 . ALA 49 49 5879 1 . LYS 50 50 5879 1 . GLY 51 51 5879 1 . MET 52 52 5879 1 . THR 53 53 5879 1 . VAL 54 54 5879 1 . SER 55 55 5879 1 . GLY 56 56 5879 1 . ASP 57 57 5879 1 . PRO 58 58 5879 1 . ALA 59 59 5879 1 . SER 60 60 5879 1 . GLY 61 61 5879 1 . SER 62 62 5879 1 . ALA 63 63 5879 1 . THR 64 64 5879 1 . LEU 65 65 5879 1 . TRP 66 66 5879 1 . ASN 67 67 5879 1 . SER 68 68 5879 1 . TRP 69 69 5879 1 . GLY 70 70 5879 1 . GLY 71 71 5879 1 . GLN 72 72 5879 1 . ILE 73 73 5879 1 . VAL 74 74 5879 1 . VAL 75 75 5879 1 . ALA 76 76 5879 1 . PRO 77 77 5879 1 . ASP 78 78 5879 1 . THR 79 79 5879 1 . ALA 80 80 5879 1 . GLY 81 81 5879 1 . GLY 82 82 5879 1 . THR 83 83 5879 1 . GLY 84 84 5879 1 . PHE 85 85 5879 1 . ASN 86 86 5879 1 . ASN 87 87 5879 1 . GLY 88 88 5879 1 . PHE 89 89 5879 1 . THR 90 90 5879 1 . ILE 91 91 5879 1 . THR 92 92 5879 1 . THR 93 93 5879 1 . ASN 94 94 5879 1 . LYS 95 95 5879 1 . VAL 96 96 5879 1 . PRO 97 97 5879 1 . GLN 98 98 5879 1 . SER 99 99 5879 1 . ALA 100 100 5879 1 . CYS 101 101 5879 1 . VAL 102 102 5879 1 . SER 103 103 5879 1 . ILE 104 104 5879 1 . SER 105 105 5879 1 . THR 106 106 5879 1 . GLY 107 107 5879 1 . MET 108 108 5879 1 . SER 109 109 5879 1 . ARG 110 110 5879 1 . SER 111 111 5879 1 . GLY 112 112 5879 1 . GLY 113 113 5879 1 . THR 114 114 5879 1 . SER 115 115 5879 1 . GLY 116 116 5879 1 . ILE 117 117 5879 1 . LYS 118 118 5879 1 . ILE 119 119 5879 1 . ASN 120 120 5879 1 . GLY 121 121 5879 1 . ASN 122 122 5879 1 . ASN 123 123 5879 1 . HIS 124 124 5879 1 . THR 125 125 5879 1 . ASP 126 126 5879 1 . ALA 127 127 5879 1 . LYS 128 128 5879 1 . VAL 129 129 5879 1 . THR 130 130 5879 1 . ALA 131 131 5879 1 . GLU 132 132 5879 1 . ILE 133 133 5879 1 . ALA 134 134 5879 1 . SER 135 135 5879 1 . SER 136 136 5879 1 . GLU 137 137 5879 1 . CYS 138 138 5879 1 . THR 139 139 5879 1 . ALA 140 140 5879 1 . ASP 141 141 5879 1 . ASN 142 142 5879 1 . GLY 143 143 5879 1 . ARG 144 144 5879 1 . THR 145 145 5879 1 . GLY 146 146 5879 1 . THR 147 147 5879 1 . ASN 148 148 5879 1 . THR 149 149 5879 1 . LEU 150 150 5879 1 . VAL 151 151 5879 1 . PHE 152 152 5879 1 . ASN 153 153 5879 1 . TYR 154 154 5879 1 . ASN 155 155 5879 1 . GLY 156 156 5879 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5879 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PilS . 601 . . 'Salmonella typhi' 'Salmonella typhi' . . Eubacteria . Salmonella typhi . . . . . . . . . . . . . 5879 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 5879 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PilS . 'recombinant technology' . . . . . . . . . . . . . . . . 5879 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5879 _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 'S. typhi PilS' '[U-99% 13C; U-99% 15N]' . . 1 $PilS . . 1.0 . . mM . . . . 5879 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5879 1 3 Na2SO4 . . . . . . . 0.5 . . M . . . . 5879 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5879 _Sample.ID 2 _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 'S. typhi PilS' '[U-99% 15N]' . . 1 $PilS . . 1.0 . . mM . . . . 5879 2 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5879 2 3 Na2SO4 . . . . . . . 0.5 . . M . . . . 5879 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5879 _Sample.ID 3 _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 'S. typhi PilS' '[U-10% 13C]' . . 1 $PilS . . 1.0 . . mM . . . . 5879 3 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5879 3 3 Na2SO4 . . . . . . . 0.5 . . M . . . . 5879 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5879 _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' 0.5 0.02 M 5879 1 pH 6.0 0.1 na 5879 1 temperature 303 0.1 K 5879 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5879 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5879 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Eqipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5879 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5879 _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_1 Bruker DRX . 500 'Eqipped with cryoprobe' . . 5879 1 2 NMR_spectrometer_2 Varian Inova . 750 . . . 5879 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 5879 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5879 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5879 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5879 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5879 1 5 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5879 1 6 CC(C0)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5879 1 7 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5879 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5879 1 9 '1H-13C CT HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5879 1 stop_ 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 5879 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5879 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . 5879 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5879 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_DBS_NUS_Pils _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode DBS_NUS_Pils _Assigned_chem_shift_list.Entry_ID 5879 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 '1H-15N HSQC' . . . 5879 1 2 HNCACB . . . 5879 1 3 CBCA(CO)NH . . . 5879 1 4 HNCO . . . 5879 1 5 HN(CA)CO . . . 5879 1 6 CC(C0)NH . . . 5879 1 7 H(CCO)NH . . . 5879 1 8 HCCH-TOCSY . . . 5879 1 9 '1H-13C CT HSQC' . . . 5879 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 124.056 0.05 . 1 . . . . . . . . . 5879 1 2 . 1 1 1 1 MET H H 1 8.337 0.02 . 1 . . . . . . . . . 5879 1 3 . 1 1 1 1 MET CA C 13 56.086 0.05 . 1 . . . . . . . . . 5879 1 4 . 1 1 1 1 MET HA H 1 4.435 0.02 . 1 . . . . . . . . . 5879 1 5 . 1 1 1 1 MET CB C 13 32.217 0.05 . 1 . . . . . . . . . 5879 1 6 . 1 1 1 1 MET HB3 H 1 1.760 0.02 . 2 . . . . . . . . . 5879 1 7 . 1 1 1 1 MET HB2 H 1 1.963 0.02 . 2 . . . . . . . . . 5879 1 8 . 1 1 1 1 MET CG C 13 31.975 0.05 . 1 . . . . . . . . . 5879 1 9 . 1 1 1 1 MET HG3 H 1 2.270 0.02 . 2 . . . . . . . . . 5879 1 10 . 1 1 1 1 MET HG2 H 1 2.428 0.02 . 2 . . . . . . . . . 5879 1 11 . 1 1 1 1 MET C C 13 173.957 0.05 . 1 . . . . . . . . . 5879 1 12 . 1 1 2 2 TRP N N 15 123.686 0.05 . 1 . . . . . . . . . 5879 1 13 . 1 1 2 2 TRP H H 1 8.070 0.02 . 1 . . . . . . . . . 5879 1 14 . 1 1 2 2 TRP CA C 13 57.868 0.05 . 1 . . . . . . . . . 5879 1 15 . 1 1 2 2 TRP HA H 1 4.707 0.02 . 1 . . . . . . . . . 5879 1 16 . 1 1 2 2 TRP CB C 13 29.469 0.05 . 1 . . . . . . . . . 5879 1 17 . 1 1 2 2 TRP HB3 H 1 3.330 0.02 . 2 . . . . . . . . . 5879 1 18 . 1 1 2 2 TRP HB2 H 1 3.395 0.02 . 2 . . . . . . . . . 5879 1 19 . 1 1 2 2 TRP C C 13 173.391 0.05 . 1 . . . . . . . . . 5879 1 20 . 1 1 3 3 GLY N N 15 113.081 0.05 . 1 . . . . . . . . . 5879 1 21 . 1 1 3 3 GLY H H 1 8.370 0.02 . 1 . . . . . . . . . 5879 1 22 . 1 1 3 3 GLY CA C 13 45.374 0.05 . 1 . . . . . . . . . 5879 1 23 . 1 1 3 3 GLY HA3 H 1 3.820 0.02 . 2 . . . . . . . . . 5879 1 24 . 1 1 3 3 GLY HA2 H 1 4.005 0.02 . 2 . . . . . . . . . 5879 1 25 . 1 1 3 3 GLY C C 13 176.000 0.05 . 1 . . . . . . . . . 5879 1 26 . 1 1 4 4 LYS N N 15 123.070 0.05 . 1 . . . . . . . . . 5879 1 27 . 1 1 4 4 LYS H H 1 8.140 0.02 . 1 . . . . . . . . . 5879 1 28 . 1 1 4 4 LYS CA C 13 57.580 0.05 . 1 . . . . . . . . . 5879 1 29 . 1 1 4 4 LYS HA H 1 4.220 0.02 . 1 . . . . . . . . . 5879 1 30 . 1 1 4 4 LYS CB C 13 32.960 0.05 . 1 . . . . . . . . . 5879 1 31 . 1 1 4 4 LYS HB3 H 1 1.850 0.02 . 2 . . . . . . . . . 5879 1 32 . 1 1 4 4 LYS HB2 H 1 1.764 0.02 . 2 . . . . . . . . . 5879 1 33 . 1 1 4 4 LYS CG C 13 24.877 0.05 . 1 . . . . . . . . . 5879 1 34 . 1 1 4 4 LYS HG3 H 1 1.499 0.02 . 1 . . . . . . . . . 5879 1 35 . 1 1 4 4 LYS HG2 H 1 1.499 0.02 . 1 . . . . . . . . . 5879 1 36 . 1 1 4 4 LYS CD C 13 29.110 0.05 . 1 . . . . . . . . . 5879 1 37 . 1 1 4 4 LYS HD3 H 1 1.720 0.02 . 1 . . . . . . . . . 5879 1 38 . 1 1 4 4 LYS HD2 H 1 1.720 0.02 . 1 . . . . . . . . . 5879 1 39 . 1 1 4 4 LYS CE C 13 42.202 0.05 . 1 . . . . . . . . . 5879 1 40 . 1 1 4 4 LYS HE3 H 1 3.020 0.02 . 1 . . . . . . . . . 5879 1 41 . 1 1 4 4 LYS HE2 H 1 3.020 0.02 . 1 . . . . . . . . . 5879 1 42 . 1 1 4 4 LYS C C 13 172.365 0.05 . 1 . . . . . . . . . 5879 1 43 . 1 1 5 5 LYS N N 15 122.946 0.05 . 1 . . . . . . . . . 5879 1 44 . 1 1 5 5 LYS H H 1 8.408 0.02 . 1 . . . . . . . . . 5879 1 45 . 1 1 5 5 LYS CA C 13 57.309 0.05 . 1 . . . . . . . . . 5879 1 46 . 1 1 5 5 LYS HA H 1 4.262 0.02 . 1 . . . . . . . . . 5879 1 47 . 1 1 5 5 LYS CB C 13 32.327 0.05 . 1 . . . . . . . . . 5879 1 48 . 1 1 5 5 LYS HB3 H 1 1.760 0.02 . 2 . . . . . . . . . 5879 1 49 . 1 1 5 5 LYS HB2 H 1 1.890 0.02 . 2 . . . . . . . . . 5879 1 50 . 1 1 5 5 LYS CG C 13 24.713 0.05 . 1 . . . . . . . . . 5879 1 51 . 1 1 5 5 LYS HG3 H 1 1.420 0.02 . 1 . . . . . . . . . 5879 1 52 . 1 1 5 5 LYS HG2 H 1 1.420 0.02 . 1 . . . . . . . . . 5879 1 53 . 1 1 5 5 LYS CD C 13 29.075 0.05 . 1 . . . . . . . . . 5879 1 54 . 1 1 5 5 LYS HD3 H 1 1.711 0.02 . 1 . . . . . . . . . 5879 1 55 . 1 1 5 5 LYS HD2 H 1 1.711 0.02 . 1 . . . . . . . . . 5879 1 56 . 1 1 5 5 LYS CE C 13 41.470 0.05 . 1 . . . . . . . . . 5879 1 57 . 1 1 5 5 LYS HE3 H 1 3.010 0.02 . 1 . . . . . . . . . 5879 1 58 . 1 1 5 5 LYS HE2 H 1 3.010 0.02 . 1 . . . . . . . . . 5879 1 59 . 1 1 5 5 LYS C C 13 173.130 0.05 . 1 . . . . . . . . . 5879 1 60 . 1 1 6 6 ASP N N 15 121.713 0.05 . 1 . . . . . . . . . 5879 1 61 . 1 1 6 6 ASP H H 1 8.172 0.02 . 1 . . . . . . . . . 5879 1 62 . 1 1 6 6 ASP CA C 13 55.835 0.05 . 1 . . . . . . . . . 5879 1 63 . 1 1 6 6 ASP HA H 1 4.650 0.02 . 1 . . . . . . . . . 5879 1 64 . 1 1 6 6 ASP CB C 13 41.650 0.05 . 1 . . . . . . . . . 5879 1 65 . 1 1 6 6 ASP HB3 H 1 2.615 0.02 . 2 . . . . . . . . . 5879 1 66 . 1 1 6 6 ASP HB2 H 1 2.740 0.02 . 2 . . . . . . . . . 5879 1 67 . 1 1 6 6 ASP C C 13 173.478 0.05 . 1 . . . . . . . . . 5879 1 68 . 1 1 7 7 ALA N N 15 125.289 0.05 . 1 . . . . . . . . . 5879 1 69 . 1 1 7 7 ALA H H 1 8.461 0.02 . 1 . . . . . . . . . 5879 1 70 . 1 1 7 7 ALA CA C 13 55.454 0.05 . 1 . . . . . . . . . 5879 1 71 . 1 1 7 7 ALA HA H 1 4.223 0.02 . 1 . . . . . . . . . 5879 1 72 . 1 1 7 7 ALA CB C 13 18.508 0.05 . 1 . . . . . . . . . 5879 1 73 . 1 1 7 7 ALA HB1 H 1 1.643 0.02 . 1 . . . . . . . . . 5879 1 74 . 1 1 7 7 ALA HB2 H 1 1.643 0.02 . 1 . . . . . . . . . 5879 1 75 . 1 1 7 7 ALA HB3 H 1 1.643 0.02 . 1 . . . . . . . . . 5879 1 76 . 1 1 7 7 ALA C C 13 171.123 0.05 . 1 . . . . . . . . . 5879 1 77 . 1 1 8 8 GLY N N 15 109.257 0.05 . 1 . . . . . . . . . 5879 1 78 . 1 1 8 8 GLY H H 1 8.471 0.02 . 1 . . . . . . . . . 5879 1 79 . 1 1 8 8 GLY CA C 13 45.500 0.05 . 1 . . . . . . . . . 5879 1 80 . 1 1 8 8 GLY HA3 H 1 3.813 0.02 . 2 . . . . . . . . . 5879 1 81 . 1 1 8 8 GLY HA2 H 1 3.980 0.02 . 2 . . . . . . . . . 5879 1 82 . 1 1 8 8 GLY C C 13 173.910 0.05 . 1 . . . . . . . . . 5879 1 83 . 1 1 9 9 THR N N 15 122.576 0.05 . 1 . . . . . . . . . 5879 1 84 . 1 1 9 9 THR H H 1 7.935 0.02 . 1 . . . . . . . . . 5879 1 85 . 1 1 9 9 THR CA C 13 65.868 0.05 . 1 . . . . . . . . . 5879 1 86 . 1 1 9 9 THR HA H 1 3.913 0.02 . 1 . . . . . . . . . 5879 1 87 . 1 1 9 9 THR CB C 13 68.676 0.05 . 1 . . . . . . . . . 5879 1 88 . 1 1 9 9 THR HB H 1 4.200 0.02 . 1 . . . . . . . . . 5879 1 89 . 1 1 9 9 THR CG2 C 13 21.703 0.05 . 1 . . . . . . . . . 5879 1 90 . 1 1 9 9 THR HG21 H 1 1.150 0.02 . 1 . . . . . . . . . 5879 1 91 . 1 1 9 9 THR HG22 H 1 1.150 0.02 . 1 . . . . . . . . . 5879 1 92 . 1 1 9 9 THR HG23 H 1 1.150 0.02 . 1 . . . . . . . . . 5879 1 93 . 1 1 9 9 THR C C 13 174.508 0.05 . 1 . . . . . . . . . 5879 1 94 . 1 1 10 10 GLU N N 15 123.316 0.05 . 1 . . . . . . . . . 5879 1 95 . 1 1 10 10 GLU H H 1 7.778 0.02 . 1 . . . . . . . . . 5879 1 96 . 1 1 10 10 GLU CA C 13 59.863 0.05 . 1 . . . . . . . . . 5879 1 97 . 1 1 10 10 GLU HA H 1 3.467 0.02 . 1 . . . . . . . . . 5879 1 98 . 1 1 10 10 GLU CB C 13 28.530 0.05 . 1 . . . . . . . . . 5879 1 99 . 1 1 10 10 GLU HB3 H 1 2.100 0.02 . 1 . . . . . . . . . 5879 1 100 . 1 1 10 10 GLU HB2 H 1 2.100 0.02 . 1 . . . . . . . . . 5879 1 101 . 1 1 10 10 GLU CG C 13 35.960 0.05 . 1 . . . . . . . . . 5879 1 102 . 1 1 10 10 GLU HG3 H 1 2.160 0.02 . 1 . . . . . . . . . 5879 1 103 . 1 1 10 10 GLU HG2 H 1 2.160 0.02 . 1 . . . . . . . . . 5879 1 104 . 1 1 10 10 GLU C C 13 173.867 0.05 . 1 . . . . . . . . . 5879 1 105 . 1 1 11 11 LEU N N 15 119.247 0.05 . 1 . . . . . . . . . 5879 1 106 . 1 1 11 11 LEU H H 1 7.820 0.02 . 1 . . . . . . . . . 5879 1 107 . 1 1 11 11 LEU CA C 13 59.081 0.05 . 1 . . . . . . . . . 5879 1 108 . 1 1 11 11 LEU HA H 1 3.856 0.02 . 1 . . . . . . . . . 5879 1 109 . 1 1 11 11 LEU CB C 13 41.976 0.05 . 1 . . . . . . . . . 5879 1 110 . 1 1 11 11 LEU HB3 H 1 1.681 0.02 . 2 . . . . . . . . . 5879 1 111 . 1 1 11 11 LEU HB2 H 1 1.954 0.02 . 2 . . . . . . . . . 5879 1 112 . 1 1 11 11 LEU CG C 13 26.500 0.05 . 1 . . . . . . . . . 5879 1 113 . 1 1 11 11 LEU HG H 1 1.560 0.02 . 1 . . . . . . . . . 5879 1 114 . 1 1 11 11 LEU CD1 C 13 25.000 0.05 . 1 . . . . . . . . . 5879 1 115 . 1 1 11 11 LEU HD11 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 116 . 1 1 11 11 LEU HD12 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 117 . 1 1 11 11 LEU HD13 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 118 . 1 1 11 11 LEU CD2 C 13 26.267 0.05 . 1 . . . . . . . . . 5879 1 119 . 1 1 11 11 LEU HD21 H 1 0.930 0.02 . 1 . . . . . . . . . 5879 1 120 . 1 1 11 11 LEU HD22 H 1 0.930 0.02 . 1 . . . . . . . . . 5879 1 121 . 1 1 11 11 LEU HD23 H 1 0.930 0.02 . 1 . . . . . . . . . 5879 1 122 . 1 1 11 11 LEU C C 13 171.984 0.05 . 1 . . . . . . . . . 5879 1 123 . 1 1 12 12 THR N N 15 116.287 0.05 . 1 . . . . . . . . . 5879 1 124 . 1 1 12 12 THR H H 1 7.744 0.02 . 1 . . . . . . . . . 5879 1 125 . 1 1 12 12 THR CA C 13 66.272 0.05 . 1 . . . . . . . . . 5879 1 126 . 1 1 12 12 THR HA H 1 3.903 0.02 . 1 . . . . . . . . . 5879 1 127 . 1 1 12 12 THR CB C 13 68.413 0.05 . 1 . . . . . . . . . 5879 1 128 . 1 1 12 12 THR HB H 1 4.225 0.02 . 1 . . . . . . . . . 5879 1 129 . 1 1 12 12 THR CG2 C 13 21.473 0.05 . 1 . . . . . . . . . 5879 1 130 . 1 1 12 12 THR HG21 H 1 1.218 0.02 . 1 . . . . . . . . . 5879 1 131 . 1 1 12 12 THR HG22 H 1 1.218 0.02 . 1 . . . . . . . . . 5879 1 132 . 1 1 12 12 THR HG23 H 1 1.218 0.02 . 1 . . . . . . . . . 5879 1 133 . 1 1 12 12 THR C C 13 173.246 0.05 . 1 . . . . . . . . . 5879 1 134 . 1 1 13 13 ASN N N 15 125.759 0.05 . 1 . . . . . . . . . 5879 1 135 . 1 1 13 13 ASN H H 1 8.427 0.02 . 1 . . . . . . . . . 5879 1 136 . 1 1 13 13 ASN CA C 13 55.734 0.05 . 1 . . . . . . . . . 5879 1 137 . 1 1 13 13 ASN HA H 1 4.450 0.02 . 1 . . . . . . . . . 5879 1 138 . 1 1 13 13 ASN CB C 13 36.331 0.05 . 1 . . . . . . . . . 5879 1 139 . 1 1 13 13 ASN HB3 H 1 2.750 0.02 . 2 . . . . . . . . . 5879 1 140 . 1 1 13 13 ASN HB2 H 1 2.950 0.02 . 2 . . . . . . . . . 5879 1 141 . 1 1 13 13 ASN C C 13 172.052 0.05 . 1 . . . . . . . . . 5879 1 142 . 1 1 14 14 TYR N N 15 122.700 0.05 . 1 . . . . . . . . . 5879 1 143 . 1 1 14 14 TYR H H 1 8.559 0.02 . 1 . . . . . . . . . 5879 1 144 . 1 1 14 14 TYR CA C 13 59.596 0.05 . 1 . . . . . . . . . 5879 1 145 . 1 1 14 14 TYR HA H 1 4.482 0.02 . 1 . . . . . . . . . 5879 1 146 . 1 1 14 14 TYR CB C 13 36.361 0.05 . 1 . . . . . . . . . 5879 1 147 . 1 1 14 14 TYR HB3 H 1 3.141 0.02 . 1 . . . . . . . . . 5879 1 148 . 1 1 14 14 TYR HB2 H 1 3.141 0.02 . 1 . . . . . . . . . 5879 1 149 . 1 1 14 14 TYR C C 13 172.473 0.05 . 1 . . . . . . . . . 5879 1 150 . 1 1 15 15 GLN N N 15 119.617 0.05 . 1 . . . . . . . . . 5879 1 151 . 1 1 15 15 GLN H H 1 8.023 0.02 . 1 . . . . . . . . . 5879 1 152 . 1 1 15 15 GLN CA C 13 59.061 0.05 . 1 . . . . . . . . . 5879 1 153 . 1 1 15 15 GLN HA H 1 4.123 0.02 . 1 . . . . . . . . . 5879 1 154 . 1 1 15 15 GLN CB C 13 28.009 0.05 . 1 . . . . . . . . . 5879 1 155 . 1 1 15 15 GLN HB3 H 1 2.283 0.02 . 2 . . . . . . . . . 5879 1 156 . 1 1 15 15 GLN HB2 H 1 2.170 0.02 . 2 . . . . . . . . . 5879 1 157 . 1 1 15 15 GLN CG C 13 34.911 0.05 . 1 . . . . . . . . . 5879 1 158 . 1 1 15 15 GLN HG3 H 1 2.430 0.02 . 2 . . . . . . . . . 5879 1 159 . 1 1 15 15 GLN HG2 H 1 2.749 0.02 . 2 . . . . . . . . . 5879 1 160 . 1 1 15 15 GLN C C 13 170.910 0.05 . 1 . . . . . . . . . 5879 1 161 . 1 1 16 16 THR N N 15 121.466 0.05 . 1 . . . . . . . . . 5879 1 162 . 1 1 16 16 THR H H 1 8.708 0.02 . 1 . . . . . . . . . 5879 1 163 . 1 1 16 16 THR CA C 13 66.539 0.05 . 1 . . . . . . . . . 5879 1 164 . 1 1 16 16 THR HA H 1 3.929 0.02 . 1 . . . . . . . . . 5879 1 165 . 1 1 16 16 THR CB C 13 68.413 0.05 . 1 . . . . . . . . . 5879 1 166 . 1 1 16 16 THR HB H 1 4.338 0.02 . 1 . . . . . . . . . 5879 1 167 . 1 1 16 16 THR CG2 C 13 21.473 0.05 . 1 . . . . . . . . . 5879 1 168 . 1 1 16 16 THR HG21 H 1 1.250 0.02 . 1 . . . . . . . . . 5879 1 169 . 1 1 16 16 THR HG22 H 1 1.250 0.02 . 1 . . . . . . . . . 5879 1 170 . 1 1 16 16 THR HG23 H 1 1.250 0.02 . 1 . . . . . . . . . 5879 1 171 . 1 1 16 16 THR C C 13 174.402 0.05 . 1 . . . . . . . . . 5879 1 172 . 1 1 17 17 LEU N N 15 125.906 0.05 . 1 . . . . . . . . . 5879 1 173 . 1 1 17 17 LEU H H 1 8.594 0.02 . 1 . . . . . . . . . 5879 1 174 . 1 1 17 17 LEU CA C 13 58.086 0.05 . 1 . . . . . . . . . 5879 1 175 . 1 1 17 17 LEU HA H 1 4.091 0.02 . 1 . . . . . . . . . 5879 1 176 . 1 1 17 17 LEU CB C 13 41.976 0.05 . 1 . . . . . . . . . 5879 1 177 . 1 1 17 17 LEU HB3 H 1 1.874 0.02 . 1 . . . . . . . . . 5879 1 178 . 1 1 17 17 LEU HB2 H 1 1.874 0.02 . 1 . . . . . . . . . 5879 1 179 . 1 1 17 17 LEU CG C 13 26.657 0.05 . 1 . . . . . . . . . 5879 1 180 . 1 1 17 17 LEU HG H 1 1.499 0.02 . 1 . . . . . . . . . 5879 1 181 . 1 1 17 17 LEU CD1 C 13 23.272 0.05 . 1 . . . . . . . . . 5879 1 182 . 1 1 17 17 LEU HD11 H 1 0.770 0.02 . 1 . . . . . . . . . 5879 1 183 . 1 1 17 17 LEU HD12 H 1 0.770 0.02 . 1 . . . . . . . . . 5879 1 184 . 1 1 17 17 LEU HD13 H 1 0.770 0.02 . 1 . . . . . . . . . 5879 1 185 . 1 1 17 17 LEU CD2 C 13 25.223 0.05 . 1 . . . . . . . . . 5879 1 186 . 1 1 17 17 LEU HD21 H 1 0.759 0.02 . 1 . . . . . . . . . 5879 1 187 . 1 1 17 17 LEU HD22 H 1 0.759 0.02 . 1 . . . . . . . . . 5879 1 188 . 1 1 17 17 LEU HD23 H 1 0.759 0.02 . 1 . . . . . . . . . 5879 1 189 . 1 1 17 17 LEU C C 13 170.259 0.05 . 1 . . . . . . . . . 5879 1 190 . 1 1 18 18 ALA N N 15 126.276 0.05 . 1 . . . . . . . . . 5879 1 191 . 1 1 18 18 ALA H H 1 8.458 0.02 . 1 . . . . . . . . . 5879 1 192 . 1 1 18 18 ALA CA C 13 56.124 0.05 . 1 . . . . . . . . . 5879 1 193 . 1 1 18 18 ALA HA H 1 3.748 0.02 . 1 . . . . . . . . . 5879 1 194 . 1 1 18 18 ALA CB C 13 17.400 0.05 . 1 . . . . . . . . . 5879 1 195 . 1 1 18 18 ALA HB1 H 1 1.072 0.02 . 1 . . . . . . . . . 5879 1 196 . 1 1 18 18 ALA HB2 H 1 1.072 0.02 . 1 . . . . . . . . . 5879 1 197 . 1 1 18 18 ALA HB3 H 1 1.072 0.02 . 1 . . . . . . . . . 5879 1 198 . 1 1 18 18 ALA C C 13 171.250 0.05 . 1 . . . . . . . . . 5879 1 199 . 1 1 19 19 THR N N 15 117.397 0.05 . 1 . . . . . . . . . 5879 1 200 . 1 1 19 19 THR H H 1 8.278 0.02 . 1 . . . . . . . . . 5879 1 201 . 1 1 19 19 THR CA C 13 67.073 0.05 . 1 . . . . . . . . . 5879 1 202 . 1 1 19 19 THR HA H 1 3.840 0.02 . 1 . . . . . . . . . 5879 1 203 . 1 1 19 19 THR CB C 13 68.676 0.05 . 1 . . . . . . . . . 5879 1 204 . 1 1 19 19 THR HB H 1 4.301 0.02 . 1 . . . . . . . . . 5879 1 205 . 1 1 19 19 THR CG2 C 13 21.673 0.05 . 1 . . . . . . . . . 5879 1 206 . 1 1 19 19 THR HG21 H 1 1.300 0.02 . 1 . . . . . . . . . 5879 1 207 . 1 1 19 19 THR HG22 H 1 1.300 0.02 . 1 . . . . . . . . . 5879 1 208 . 1 1 19 19 THR HG23 H 1 1.300 0.02 . 1 . . . . . . . . . 5879 1 209 . 1 1 19 19 THR C C 13 172.664 0.05 . 1 . . . . . . . . . 5879 1 210 . 1 1 20 20 ASN N N 15 123.440 0.05 . 1 . . . . . . . . . 5879 1 211 . 1 1 20 20 ASN H H 1 8.695 0.02 . 1 . . . . . . . . . 5879 1 212 . 1 1 20 20 ASN CA C 13 55.351 0.05 . 1 . . . . . . . . . 5879 1 213 . 1 1 20 20 ASN HA H 1 4.510 0.02 . 1 . . . . . . . . . 5879 1 214 . 1 1 20 20 ASN CB C 13 38.054 0.05 . 1 . . . . . . . . . 5879 1 215 . 1 1 20 20 ASN HB3 H 1 2.650 0.02 . 2 . . . . . . . . . 5879 1 216 . 1 1 20 20 ASN HB2 H 1 2.900 0.02 . 2 . . . . . . . . . 5879 1 217 . 1 1 20 20 ASN C C 13 172.569 0.05 . 1 . . . . . . . . . 5879 1 218 . 1 1 21 21 THR N N 15 123.810 0.05 . 1 . . . . . . . . . 5879 1 219 . 1 1 21 21 THR H H 1 8.240 0.02 . 1 . . . . . . . . . 5879 1 220 . 1 1 21 21 THR CA C 13 67.627 0.05 . 1 . . . . . . . . . 5879 1 221 . 1 1 21 21 THR HA H 1 3.680 0.02 . 1 . . . . . . . . . 5879 1 222 . 1 1 21 21 THR CB C 13 68.221 0.05 . 1 . . . . . . . . . 5879 1 223 . 1 1 21 21 THR HB H 1 3.450 0.02 . 1 . . . . . . . . . 5879 1 224 . 1 1 21 21 THR CG2 C 13 20.107 0.05 . 1 . . . . . . . . . 5879 1 225 . 1 1 21 21 THR HG21 H 1 -0.160 0.02 . 1 . . . . . . . . . 5879 1 226 . 1 1 21 21 THR HG22 H 1 -0.160 0.02 . 1 . . . . . . . . . 5879 1 227 . 1 1 21 21 THR HG23 H 1 -0.160 0.02 . 1 . . . . . . . . . 5879 1 228 . 1 1 22 22 ILE N N 15 125.043 0.05 . 1 . . . . . . . . . 5879 1 229 . 1 1 22 22 ILE H H 1 8.266 0.02 . 1 . . . . . . . . . 5879 1 230 . 1 1 22 22 ILE CA C 13 65.651 0.05 . 1 . . . . . . . . . 5879 1 231 . 1 1 22 22 ILE HA H 1 3.690 0.02 . 1 . . . . . . . . . 5879 1 232 . 1 1 22 22 ILE CB C 13 38.200 0.05 . 1 . . . . . . . . . 5879 1 233 . 1 1 22 22 ILE HB H 1 1.915 0.02 . 1 . . . . . . . . . 5879 1 234 . 1 1 22 22 ILE CG1 C 13 30.185 0.05 . 1 . . . . . . . . . 5879 1 235 . 1 1 22 22 ILE HG13 H 1 2.050 0.02 . 1 . . . . . . . . . 5879 1 236 . 1 1 22 22 ILE HG12 H 1 2.050 0.02 . 1 . . . . . . . . . 5879 1 237 . 1 1 22 22 ILE CD1 C 13 13.460 0.05 . 1 . . . . . . . . . 5879 1 238 . 1 1 22 22 ILE HD11 H 1 0.960 0.02 . 1 . . . . . . . . . 5879 1 239 . 1 1 22 22 ILE HD12 H 1 0.960 0.02 . 1 . . . . . . . . . 5879 1 240 . 1 1 22 22 ILE HD13 H 1 0.960 0.02 . 1 . . . . . . . . . 5879 1 241 . 1 1 22 22 ILE CG2 C 13 17.165 0.05 . 1 . . . . . . . . . 5879 1 242 . 1 1 22 22 ILE HG21 H 1 1.010 0.02 . 1 . . . . . . . . . 5879 1 243 . 1 1 22 22 ILE HG22 H 1 1.010 0.02 . 1 . . . . . . . . . 5879 1 244 . 1 1 22 22 ILE HG23 H 1 1.010 0.02 . 1 . . . . . . . . . 5879 1 245 . 1 1 22 22 ILE C C 13 171.154 0.05 . 1 . . . . . . . . . 5879 1 246 . 1 1 23 23 GLY N N 15 106.421 0.05 . 1 . . . . . . . . . 5879 1 247 . 1 1 23 23 GLY H H 1 7.845 0.02 . 1 . . . . . . . . . 5879 1 248 . 1 1 23 23 GLY CA C 13 47.015 0.05 . 1 . . . . . . . . . 5879 1 249 . 1 1 23 23 GLY HA3 H 1 3.919 0.02 . 1 . . . . . . . . . 5879 1 250 . 1 1 23 23 GLY HA2 H 1 3.919 0.02 . 1 . . . . . . . . . 5879 1 251 . 1 1 23 23 GLY C C 13 174.135 0.05 . 1 . . . . . . . . . 5879 1 252 . 1 1 24 24 MET N N 15 122.576 0.05 . 1 . . . . . . . . . 5879 1 253 . 1 1 24 24 MET H H 1 7.870 0.02 . 1 . . . . . . . . . 5879 1 254 . 1 1 24 24 MET CA C 13 57.861 0.05 . 1 . . . . . . . . . 5879 1 255 . 1 1 24 24 MET HA H 1 4.280 0.02 . 1 . . . . . . . . . 5879 1 256 . 1 1 24 24 MET CB C 13 32.889 0.05 . 1 . . . . . . . . . 5879 1 257 . 1 1 24 24 MET HB3 H 1 2.057 0.02 . 1 . . . . . . . . . 5879 1 258 . 1 1 24 24 MET HB2 H 1 2.057 0.02 . 1 . . . . . . . . . 5879 1 259 . 1 1 24 24 MET CG C 13 32.093 0.05 . 1 . . . . . . . . . 5879 1 260 . 1 1 24 24 MET HG3 H 1 2.470 0.02 . 2 . . . . . . . . . 5879 1 261 . 1 1 24 24 MET HG2 H 1 2.617 0.02 . 2 . . . . . . . . . 5879 1 262 . 1 1 24 24 MET C C 13 172.223 0.05 . 1 . . . . . . . . . 5879 1 263 . 1 1 25 25 MET N N 15 119.000 0.05 . 1 . . . . . . . . . 5879 1 264 . 1 1 25 25 MET H H 1 8.040 0.02 . 1 . . . . . . . . . 5879 1 265 . 1 1 25 25 MET CA C 13 56.734 0.05 . 1 . . . . . . . . . 5879 1 266 . 1 1 25 25 MET HA H 1 4.400 0.02 . 1 . . . . . . . . . 5879 1 267 . 1 1 25 25 MET CB C 13 32.667 0.05 . 1 . . . . . . . . . 5879 1 268 . 1 1 25 25 MET HB3 H 1 2.200 0.02 . 1 . . . . . . . . . 5879 1 269 . 1 1 25 25 MET HB2 H 1 2.200 0.02 . 1 . . . . . . . . . 5879 1 270 . 1 1 25 25 MET CG C 13 33.892 0.05 . 1 . . . . . . . . . 5879 1 271 . 1 1 25 25 MET HG3 H 1 2.473 0.02 . 2 . . . . . . . . . 5879 1 272 . 1 1 25 25 MET HG2 H 1 2.602 0.02 . 2 . . . . . . . . . 5879 1 273 . 1 1 25 25 MET C C 13 173.274 0.05 . 1 . . . . . . . . . 5879 1 274 . 1 1 26 26 LYS N N 15 121.220 0.05 . 1 . . . . . . . . . 5879 1 275 . 1 1 26 26 LYS H H 1 7.587 0.02 . 1 . . . . . . . . . 5879 1 276 . 1 1 26 26 LYS CA C 13 57.481 0.05 . 1 . . . . . . . . . 5879 1 277 . 1 1 26 26 LYS HA H 1 4.220 0.02 . 1 . . . . . . . . . 5879 1 278 . 1 1 26 26 LYS CB C 13 32.660 0.05 . 1 . . . . . . . . . 5879 1 279 . 1 1 26 26 LYS HB3 H 1 1.920 0.02 . 1 . . . . . . . . . 5879 1 280 . 1 1 26 26 LYS HB2 H 1 1.920 0.02 . 1 . . . . . . . . . 5879 1 281 . 1 1 26 26 LYS CG C 13 24.901 0.05 . 1 . . . . . . . . . 5879 1 282 . 1 1 26 26 LYS HG3 H 1 1.491 0.02 . 1 . . . . . . . . . 5879 1 283 . 1 1 26 26 LYS HG2 H 1 1.491 0.02 . 1 . . . . . . . . . 5879 1 284 . 1 1 26 26 LYS CD C 13 29.150 0.05 . 1 . . . . . . . . . 5879 1 285 . 1 1 26 26 LYS HD3 H 1 1.720 0.02 . 1 . . . . . . . . . 5879 1 286 . 1 1 26 26 LYS HD2 H 1 1.720 0.02 . 1 . . . . . . . . . 5879 1 287 . 1 1 26 26 LYS CE C 13 42.171 0.05 . 1 . . . . . . . . . 5879 1 288 . 1 1 26 26 LYS HE3 H 1 3.011 0.02 . 1 . . . . . . . . . 5879 1 289 . 1 1 26 26 LYS HE2 H 1 3.011 0.02 . 1 . . . . . . . . . 5879 1 290 . 1 1 26 26 LYS C C 13 172.790 0.05 . 1 . . . . . . . . . 5879 1 291 . 1 1 27 27 GLY N N 15 111.477 0.05 . 1 . . . . . . . . . 5879 1 292 . 1 1 27 27 GLY H H 1 8.071 0.02 . 1 . . . . . . . . . 5879 1 293 . 1 1 27 27 GLY CA C 13 45.060 0.05 . 1 . . . . . . . . . 5879 1 294 . 1 1 27 27 GLY HA3 H 1 4.020 0.02 . 2 . . . . . . . . . 5879 1 295 . 1 1 27 27 GLY HA2 H 1 4.210 0.02 . 2 . . . . . . . . . 5879 1 296 . 1 1 27 27 GLY C C 13 175.587 0.05 . 1 . . . . . . . . . 5879 1 297 . 1 1 28 28 VAL N N 15 120.480 0.05 . 1 . . . . . . . . . 5879 1 298 . 1 1 28 28 VAL H H 1 7.866 0.02 . 1 . . . . . . . . . 5879 1 299 . 1 1 28 28 VAL CA C 13 62.444 0.05 . 1 . . . . . . . . . 5879 1 300 . 1 1 28 28 VAL HA H 1 4.140 0.02 . 1 . . . . . . . . . 5879 1 301 . 1 1 28 28 VAL CB C 13 32.355 0.05 . 1 . . . . . . . . . 5879 1 302 . 1 1 28 28 VAL HB H 1 2.155 0.02 . 1 . . . . . . . . . 5879 1 303 . 1 1 28 28 VAL CG2 C 13 20.100 0.05 . 1 . . . . . . . . . 5879 1 304 . 1 1 28 28 VAL HG21 H 1 0.940 0.02 . 1 . . . . . . . . . 5879 1 305 . 1 1 28 28 VAL HG22 H 1 0.940 0.02 . 1 . . . . . . . . . 5879 1 306 . 1 1 28 28 VAL HG23 H 1 0.940 0.02 . 1 . . . . . . . . . 5879 1 307 . 1 1 28 28 VAL CG1 C 13 21.096 0.05 . 1 . . . . . . . . . 5879 1 308 . 1 1 28 28 VAL HG11 H 1 0.910 0.02 . 1 . . . . . . . . . 5879 1 309 . 1 1 28 28 VAL HG12 H 1 0.910 0.02 . 1 . . . . . . . . . 5879 1 310 . 1 1 28 28 VAL HG13 H 1 0.910 0.02 . 1 . . . . . . . . . 5879 1 311 . 1 1 28 28 VAL C C 13 174.424 0.05 . 1 . . . . . . . . . 5879 1 312 . 1 1 29 29 ASP N N 15 124.550 0.05 . 1 . . . . . . . . . 5879 1 313 . 1 1 29 29 ASP H H 1 8.313 0.02 . 1 . . . . . . . . . 5879 1 314 . 1 1 29 29 ASP CA C 13 54.232 0.05 . 1 . . . . . . . . . 5879 1 315 . 1 1 29 29 ASP HA H 1 4.634 0.02 . 1 . . . . . . . . . 5879 1 316 . 1 1 29 29 ASP CB C 13 41.162 0.05 . 1 . . . . . . . . . 5879 1 317 . 1 1 29 29 ASP HB3 H 1 2.570 0.02 . 2 . . . . . . . . . 5879 1 318 . 1 1 29 29 ASP HB2 H 1 2.662 0.02 . 2 . . . . . . . . . 5879 1 319 . 1 1 29 29 ASP C C 13 173.783 0.05 . 1 . . . . . . . . . 5879 1 320 . 1 1 30 30 GLY N N 15 110.614 0.05 . 1 . . . . . . . . . 5879 1 321 . 1 1 30 30 GLY H H 1 8.041 0.02 . 1 . . . . . . . . . 5879 1 322 . 1 1 30 30 GLY CA C 13 45.773 0.05 . 1 . . . . . . . . . 5879 1 323 . 1 1 30 30 GLY HA3 H 1 3.677 0.02 . 2 . . . . . . . . . 5879 1 324 . 1 1 30 30 GLY HA2 H 1 3.870 0.02 . 2 . . . . . . . . . 5879 1 325 . 1 1 30 30 GLY C C 13 176.164 0.05 . 1 . . . . . . . . . 5879 1 326 . 1 1 31 31 TYR N N 15 122.700 0.05 . 1 . . . . . . . . . 5879 1 327 . 1 1 31 31 TYR H H 1 7.995 0.02 . 1 . . . . . . . . . 5879 1 328 . 1 1 31 31 TYR CA C 13 57.858 0.05 . 1 . . . . . . . . . 5879 1 329 . 1 1 31 31 TYR HA H 1 4.380 0.02 . 1 . . . . . . . . . 5879 1 330 . 1 1 31 31 TYR CB C 13 38.545 0.05 . 1 . . . . . . . . . 5879 1 331 . 1 1 31 31 TYR HB3 H 1 2.792 0.02 . 1 . . . . . . . . . 5879 1 332 . 1 1 31 31 TYR HB2 H 1 2.792 0.02 . 1 . . . . . . . . . 5879 1 333 . 1 1 31 31 TYR HD1 H 1 6.978 0.02 . 3 . . . . . . . . . 5879 1 334 . 1 1 31 31 TYR C C 13 175.042 0.05 . 1 . . . . . . . . . 5879 1 335 . 1 1 32 32 ALA N N 15 127.139 0.05 . 1 . . . . . . . . . 5879 1 336 . 1 1 32 32 ALA H H 1 7.813 0.02 . 1 . . . . . . . . . 5879 1 337 . 1 1 32 32 ALA CA C 13 51.982 0.05 . 1 . . . . . . . . . 5879 1 338 . 1 1 32 32 ALA HA H 1 4.240 0.02 . 1 . . . . . . . . . 5879 1 339 . 1 1 32 32 ALA CB C 13 19.002 0.05 . 1 . . . . . . . . . 5879 1 340 . 1 1 32 32 ALA HB1 H 1 1.140 0.02 . 1 . . . . . . . . . 5879 1 341 . 1 1 32 32 ALA HB2 H 1 1.140 0.02 . 1 . . . . . . . . . 5879 1 342 . 1 1 32 32 ALA HB3 H 1 1.140 0.02 . 1 . . . . . . . . . 5879 1 343 . 1 1 32 32 ALA C C 13 173.641 0.05 . 1 . . . . . . . . . 5879 1 344 . 1 1 33 33 PHE N N 15 120.480 0.05 . 1 . . . . . . . . . 5879 1 345 . 1 1 33 33 PHE H H 1 7.977 0.02 . 1 . . . . . . . . . 5879 1 346 . 1 1 33 33 PHE CA C 13 57.244 0.05 . 1 . . . . . . . . . 5879 1 347 . 1 1 33 33 PHE HA H 1 4.788 0.02 . 1 . . . . . . . . . 5879 1 348 . 1 1 33 33 PHE CB C 13 40.701 0.05 . 1 . . . . . . . . . 5879 1 349 . 1 1 33 33 PHE HB3 H 1 3.160 0.02 . 2 . . . . . . . . . 5879 1 350 . 1 1 33 33 PHE HB2 H 1 2.900 0.02 . 2 . . . . . . . . . 5879 1 351 . 1 1 33 33 PHE C C 13 174.130 0.05 . 1 . . . . . . . . . 5879 1 352 . 1 1 34 34 THR CA C 13 62.124 0.05 . 1 . . . . . . . . . 5879 1 353 . 1 1 34 34 THR HA H 1 4.370 0.02 . 1 . . . . . . . . . 5879 1 354 . 1 1 34 34 THR CB C 13 69.654 0.05 . 1 . . . . . . . . . 5879 1 355 . 1 1 34 34 THR HB H 1 4.440 0.02 . 1 . . . . . . . . . 5879 1 356 . 1 1 34 34 THR CG2 C 13 21.600 0.05 . 1 . . . . . . . . . 5879 1 357 . 1 1 34 34 THR HG21 H 1 1.250 0.02 . 1 . . . . . . . . . 5879 1 358 . 1 1 34 34 THR HG22 H 1 1.250 0.02 . 1 . . . . . . . . . 5879 1 359 . 1 1 34 34 THR HG23 H 1 1.250 0.02 . 1 . . . . . . . . . 5879 1 360 . 1 1 34 34 THR C C 13 175.931 0.05 . 1 . . . . . . . . . 5879 1 361 . 1 1 35 35 SER N N 15 115.917 0.05 . 1 . . . . . . . . . 5879 1 362 . 1 1 35 35 SER H H 1 7.670 0.02 . 1 . . . . . . . . . 5879 1 363 . 1 1 35 35 SER CA C 13 56.769 0.05 . 1 . . . . . . . . . 5879 1 364 . 1 1 35 35 SER HA H 1 4.248 0.02 . 1 . . . . . . . . . 5879 1 365 . 1 1 35 35 SER CB C 13 65.763 0.05 . 1 . . . . . . . . . 5879 1 366 . 1 1 35 35 SER HB3 H 1 4.057 0.02 . 1 . . . . . . . . . 5879 1 367 . 1 1 35 35 SER HB2 H 1 4.057 0.02 . 1 . . . . . . . . . 5879 1 368 . 1 1 35 35 SER C C 13 175.217 0.05 . 1 . . . . . . . . . 5879 1 369 . 1 1 36 36 GLY N N 15 114.807 0.05 . 1 . . . . . . . . . 5879 1 370 . 1 1 36 36 GLY H H 1 9.400 0.02 . 1 . . . . . . . . . 5879 1 371 . 1 1 36 36 GLY CA C 13 46.408 0.05 . 1 . . . . . . . . . 5879 1 372 . 1 1 36 36 GLY HA3 H 1 3.900 0.02 . 1 . . . . . . . . . 5879 1 373 . 1 1 36 36 GLY HA2 H 1 3.900 0.02 . 1 . . . . . . . . . 5879 1 374 . 1 1 36 36 GLY C C 13 174.572 0.05 . 1 . . . . . . . . . 5879 1 375 . 1 1 37 37 ALA N N 15 128.249 0.05 . 1 . . . . . . . . . 5879 1 376 . 1 1 37 37 ALA H H 1 8.566 0.02 . 1 . . . . . . . . . 5879 1 377 . 1 1 37 37 ALA CA C 13 54.818 0.05 . 1 . . . . . . . . . 5879 1 378 . 1 1 37 37 ALA HA H 1 4.231 0.02 . 1 . . . . . . . . . 5879 1 379 . 1 1 37 37 ALA CB C 13 18.201 0.05 . 1 . . . . . . . . . 5879 1 380 . 1 1 37 37 ALA HB1 H 1 1.470 0.02 . 1 . . . . . . . . . 5879 1 381 . 1 1 37 37 ALA HB2 H 1 1.470 0.02 . 1 . . . . . . . . . 5879 1 382 . 1 1 37 37 ALA HB3 H 1 1.470 0.02 . 1 . . . . . . . . . 5879 1 383 . 1 1 37 37 ALA C C 13 169.700 0.05 . 1 . . . . . . . . . 5879 1 384 . 1 1 38 38 LYS N N 15 119.987 0.05 . 1 . . . . . . . . . 5879 1 385 . 1 1 38 38 LYS H H 1 7.837 0.02 . 1 . . . . . . . . . 5879 1 386 . 1 1 38 38 LYS CA C 13 57.726 0.05 . 1 . . . . . . . . . 5879 1 387 . 1 1 38 38 LYS HA H 1 4.382 0.02 . 1 . . . . . . . . . 5879 1 388 . 1 1 38 38 LYS CB C 13 32.430 0.05 . 1 . . . . . . . . . 5879 1 389 . 1 1 38 38 LYS HB3 H 1 1.970 0.02 . 2 . . . . . . . . . 5879 1 390 . 1 1 38 38 LYS HB2 H 1 2.107 0.02 . 2 . . . . . . . . . 5879 1 391 . 1 1 38 38 LYS CG C 13 24.982 0.05 . 1 . . . . . . . . . 5879 1 392 . 1 1 38 38 LYS HG3 H 1 1.584 0.02 . 2 . . . . . . . . . 5879 1 393 . 1 1 38 38 LYS HG2 H 1 1.622 0.02 . 2 . . . . . . . . . 5879 1 394 . 1 1 38 38 LYS CD C 13 28.883 0.05 . 1 . . . . . . . . . 5879 1 395 . 1 1 38 38 LYS HD3 H 1 1.844 0.02 . 1 . . . . . . . . . 5879 1 396 . 1 1 38 38 LYS HD2 H 1 1.844 0.02 . 1 . . . . . . . . . 5879 1 397 . 1 1 38 38 LYS CE C 13 42.158 0.05 . 1 . . . . . . . . . 5879 1 398 . 1 1 38 38 LYS HE3 H 1 3.065 0.02 . 1 . . . . . . . . . 5879 1 399 . 1 1 38 38 LYS HE2 H 1 3.065 0.02 . 1 . . . . . . . . . 5879 1 400 . 1 1 38 38 LYS C C 13 170.963 0.05 . 1 . . . . . . . . . 5879 1 401 . 1 1 39 39 MET N N 15 124.796 0.05 . 1 . . . . . . . . . 5879 1 402 . 1 1 39 39 MET H H 1 8.470 0.02 . 1 . . . . . . . . . 5879 1 403 . 1 1 39 39 MET CA C 13 60.130 0.05 . 1 . . . . . . . . . 5879 1 404 . 1 1 39 39 MET HA H 1 3.365 0.02 . 1 . . . . . . . . . 5879 1 405 . 1 1 39 39 MET CB C 13 32.617 0.05 . 1 . . . . . . . . . 5879 1 406 . 1 1 39 39 MET HB3 H 1 1.401 0.02 . 2 . . . . . . . . . 5879 1 407 . 1 1 39 39 MET HB2 H 1 1.849 0.02 . 2 . . . . . . . . . 5879 1 408 . 1 1 39 39 MET C C 13 173.075 0.05 . 1 . . . . . . . . . 5879 1 409 . 1 1 40 40 THR N N 15 117.150 0.05 . 1 . . . . . . . . . 5879 1 410 . 1 1 40 40 THR H H 1 8.754 0.02 . 1 . . . . . . . . . 5879 1 411 . 1 1 40 40 THR CA C 13 68.676 0.05 . 1 . . . . . . . . . 5879 1 412 . 1 1 40 40 THR HA H 1 3.653 0.02 . 1 . . . . . . . . . 5879 1 413 . 1 1 40 40 THR CB C 13 68.689 0.05 . 1 . . . . . . . . . 5879 1 414 . 1 1 40 40 THR HB H 1 4.409 0.02 . 1 . . . . . . . . . 5879 1 415 . 1 1 40 40 THR CG2 C 13 20.999 0.05 . 1 . . . . . . . . . 5879 1 416 . 1 1 40 40 THR HG21 H 1 1.270 0.02 . 1 . . . . . . . . . 5879 1 417 . 1 1 40 40 THR HG22 H 1 1.270 0.02 . 1 . . . . . . . . . 5879 1 418 . 1 1 40 40 THR HG23 H 1 1.270 0.02 . 1 . . . . . . . . . 5879 1 419 . 1 1 40 40 THR C C 13 174.927 0.05 . 1 . . . . . . . . . 5879 1 420 . 1 1 41 41 ASP N N 15 122.206 0.05 . 1 . . . . . . . . . 5879 1 421 . 1 1 41 41 ASP H H 1 7.768 0.02 . 1 . . . . . . . . . 5879 1 422 . 1 1 41 41 ASP CA C 13 58.466 0.05 . 1 . . . . . . . . . 5879 1 423 . 1 1 41 41 ASP HA H 1 4.333 0.02 . 1 . . . . . . . . . 5879 1 424 . 1 1 41 41 ASP CB C 13 42.433 0.05 . 1 . . . . . . . . . 5879 1 425 . 1 1 41 41 ASP HB3 H 1 2.780 0.02 . 2 . . . . . . . . . 5879 1 426 . 1 1 41 41 ASP HB2 H 1 2.897 0.02 . 2 . . . . . . . . . 5879 1 427 . 1 1 41 41 ASP C C 13 172.349 0.05 . 1 . . . . . . . . . 5879 1 428 . 1 1 42 42 THR N N 15 118.260 0.05 . 1 . . . . . . . . . 5879 1 429 . 1 1 42 42 THR H H 1 8.164 0.02 . 1 . . . . . . . . . 5879 1 430 . 1 1 42 42 THR CA C 13 67.073 0.05 . 1 . . . . . . . . . 5879 1 431 . 1 1 42 42 THR HA H 1 3.878 0.02 . 1 . . . . . . . . . 5879 1 432 . 1 1 42 42 THR CB C 13 68.433 0.05 . 1 . . . . . . . . . 5879 1 433 . 1 1 42 42 THR HB H 1 4.297 0.02 . 1 . . . . . . . . . 5879 1 434 . 1 1 42 42 THR CG2 C 13 20.899 0.05 . 1 . . . . . . . . . 5879 1 435 . 1 1 42 42 THR HG21 H 1 1.291 0.02 . 1 . . . . . . . . . 5879 1 436 . 1 1 42 42 THR HG22 H 1 1.291 0.02 . 1 . . . . . . . . . 5879 1 437 . 1 1 42 42 THR HG23 H 1 1.291 0.02 . 1 . . . . . . . . . 5879 1 438 . 1 1 42 42 THR C C 13 175.268 0.05 . 1 . . . . . . . . . 5879 1 439 . 1 1 43 43 LEU N N 15 125.043 0.05 . 1 . . . . . . . . . 5879 1 440 . 1 1 43 43 LEU H H 1 8.023 0.02 . 1 . . . . . . . . . 5879 1 441 . 1 1 43 43 LEU CA C 13 58.230 0.05 . 1 . . . . . . . . . 5879 1 442 . 1 1 43 43 LEU HA H 1 3.850 0.02 . 1 . . . . . . . . . 5879 1 443 . 1 1 43 43 LEU CB C 13 41.600 0.05 . 1 . . . . . . . . . 5879 1 444 . 1 1 43 43 LEU HB3 H 1 1.110 0.02 . 2 . . . . . . . . . 5879 1 445 . 1 1 43 43 LEU HB2 H 1 1.927 0.02 . 2 . . . . . . . . . 5879 1 446 . 1 1 43 43 LEU CG C 13 26.760 0.05 . 1 . . . . . . . . . 5879 1 447 . 1 1 43 43 LEU HG H 1 1.680 0.02 . 1 . . . . . . . . . 5879 1 448 . 1 1 43 43 LEU CD1 C 13 26.560 0.05 . 1 . . . . . . . . . 5879 1 449 . 1 1 43 43 LEU HD11 H 1 0.650 0.02 . 1 . . . . . . . . . 5879 1 450 . 1 1 43 43 LEU HD12 H 1 0.650 0.02 . 1 . . . . . . . . . 5879 1 451 . 1 1 43 43 LEU HD13 H 1 0.650 0.02 . 1 . . . . . . . . . 5879 1 452 . 1 1 43 43 LEU CD2 C 13 23.875 0.05 . 1 . . . . . . . . . 5879 1 453 . 1 1 43 43 LEU HD21 H 1 0.680 0.02 . 1 . . . . . . . . . 5879 1 454 . 1 1 43 43 LEU HD22 H 1 0.680 0.02 . 1 . . . . . . . . . 5879 1 455 . 1 1 43 43 LEU HD23 H 1 0.680 0.02 . 1 . . . . . . . . . 5879 1 456 . 1 1 43 43 LEU C C 13 171.439 0.05 . 1 . . . . . . . . . 5879 1 457 . 1 1 44 44 ILE N N 15 122.090 0.05 . 1 . . . . . . . . . 5879 1 458 . 1 1 44 44 ILE H H 1 8.172 0.02 . 1 . . . . . . . . . 5879 1 459 . 1 1 44 44 ILE CA C 13 65.068 0.05 . 1 . . . . . . . . . 5879 1 460 . 1 1 44 44 ILE HA H 1 3.674 0.02 . 1 . . . . . . . . . 5879 1 461 . 1 1 44 44 ILE CB C 13 38.294 0.05 . 1 . . . . . . . . . 5879 1 462 . 1 1 44 44 ILE HB H 1 1.940 0.02 . 1 . . . . . . . . . 5879 1 463 . 1 1 44 44 ILE CG1 C 13 28.934 0.05 . 1 . . . . . . . . . 5879 1 464 . 1 1 44 44 ILE HG13 H 1 1.848 0.02 . 1 . . . . . . . . . 5879 1 465 . 1 1 44 44 ILE HG12 H 1 1.848 0.02 . 1 . . . . . . . . . 5879 1 466 . 1 1 44 44 ILE CD1 C 13 15.020 0.05 . 1 . . . . . . . . . 5879 1 467 . 1 1 44 44 ILE HD11 H 1 0.736 0.02 . 1 . . . . . . . . . 5879 1 468 . 1 1 44 44 ILE HD12 H 1 0.736 0.02 . 1 . . . . . . . . . 5879 1 469 . 1 1 44 44 ILE HD13 H 1 0.736 0.02 . 1 . . . . . . . . . 5879 1 470 . 1 1 44 44 ILE CG2 C 13 17.513 0.05 . 1 . . . . . . . . . 5879 1 471 . 1 1 44 44 ILE HG21 H 1 0.870 0.02 . 1 . . . . . . . . . 5879 1 472 . 1 1 44 44 ILE HG22 H 1 0.870 0.02 . 1 . . . . . . . . . 5879 1 473 . 1 1 44 44 ILE HG23 H 1 0.870 0.02 . 1 . . . . . . . . . 5879 1 474 . 1 1 44 44 ILE C C 13 168.956 0.05 . 1 . . . . . . . . . 5879 1 475 . 1 1 45 45 GLN N N 15 123.563 0.05 . 1 . . . . . . . . . 5879 1 476 . 1 1 45 45 GLN H H 1 8.570 0.02 . 1 . . . . . . . . . 5879 1 477 . 1 1 45 45 GLN CA C 13 58.961 0.05 . 1 . . . . . . . . . 5879 1 478 . 1 1 45 45 GLN HA H 1 4.070 0.02 . 1 . . . . . . . . . 5879 1 479 . 1 1 45 45 GLN CB C 13 28.190 0.05 . 1 . . . . . . . . . 5879 1 480 . 1 1 45 45 GLN HB3 H 1 2.140 0.02 . 2 . . . . . . . . . 5879 1 481 . 1 1 45 45 GLN HB2 H 1 2.260 0.02 . 2 . . . . . . . . . 5879 1 482 . 1 1 45 45 GLN CG C 13 33.809 0.05 . 1 . . . . . . . . . 5879 1 483 . 1 1 45 45 GLN HG3 H 1 2.443 0.02 . 2 . . . . . . . . . 5879 1 484 . 1 1 45 45 GLN HG2 H 1 2.614 0.02 . 2 . . . . . . . . . 5879 1 485 . 1 1 45 45 GLN C C 13 173.082 0.05 . 1 . . . . . . . . . 5879 1 486 . 1 1 46 46 ALA N N 15 120.850 0.05 . 1 . . . . . . . . . 5879 1 487 . 1 1 46 46 ALA H H 1 7.905 0.02 . 1 . . . . . . . . . 5879 1 488 . 1 1 46 46 ALA CA C 13 52.438 0.05 . 1 . . . . . . . . . 5879 1 489 . 1 1 46 46 ALA HA H 1 4.340 0.02 . 1 . . . . . . . . . 5879 1 490 . 1 1 46 46 ALA CB C 13 19.127 0.05 . 1 . . . . . . . . . 5879 1 491 . 1 1 46 46 ALA HB1 H 1 1.500 0.02 . 1 . . . . . . . . . 5879 1 492 . 1 1 46 46 ALA HB2 H 1 1.500 0.02 . 1 . . . . . . . . . 5879 1 493 . 1 1 46 46 ALA HB3 H 1 1.500 0.02 . 1 . . . . . . . . . 5879 1 494 . 1 1 46 46 ALA C C 13 172.333 0.05 . 1 . . . . . . . . . 5879 1 495 . 1 1 47 47 GLY N N 15 107.531 0.05 . 1 . . . . . . . . . 5879 1 496 . 1 1 47 47 GLY H H 1 7.680 0.02 . 1 . . . . . . . . . 5879 1 497 . 1 1 47 47 GLY CA C 13 47.032 0.05 . 1 . . . . . . . . . 5879 1 498 . 1 1 47 47 GLY HA3 H 1 3.957 0.02 . 2 . . . . . . . . . 5879 1 499 . 1 1 47 47 GLY HA2 H 1 4.284 0.02 . 2 . . . . . . . . . 5879 1 500 . 1 1 47 47 GLY C C 13 174.769 0.05 . 1 . . . . . . . . . 5879 1 501 . 1 1 48 48 ALA N N 15 122.576 0.05 . 1 . . . . . . . . . 5879 1 502 . 1 1 48 48 ALA H H 1 7.888 0.02 . 1 . . . . . . . . . 5879 1 503 . 1 1 48 48 ALA CA C 13 52.900 0.05 . 1 . . . . . . . . . 5879 1 504 . 1 1 48 48 ALA HA H 1 4.150 0.02 . 1 . . . . . . . . . 5879 1 505 . 1 1 48 48 ALA CB C 13 19.915 0.05 . 1 . . . . . . . . . 5879 1 506 . 1 1 48 48 ALA HB1 H 1 1.280 0.02 . 1 . . . . . . . . . 5879 1 507 . 1 1 48 48 ALA HB2 H 1 1.280 0.02 . 1 . . . . . . . . . 5879 1 508 . 1 1 48 48 ALA HB3 H 1 1.280 0.02 . 1 . . . . . . . . . 5879 1 509 . 1 1 48 48 ALA C C 13 174.013 0.05 . 1 . . . . . . . . . 5879 1 510 . 1 1 49 49 ALA N N 15 122.330 0.05 . 1 . . . . . . . . . 5879 1 511 . 1 1 49 49 ALA H H 1 8.181 0.02 . 1 . . . . . . . . . 5879 1 512 . 1 1 49 49 ALA CA C 13 49.900 0.05 . 1 . . . . . . . . . 5879 1 513 . 1 1 49 49 ALA HA H 1 4.544 0.02 . 1 . . . . . . . . . 5879 1 514 . 1 1 49 49 ALA CB C 13 19.803 0.05 . 1 . . . . . . . . . 5879 1 515 . 1 1 49 49 ALA HB1 H 1 1.218 0.02 . 1 . . . . . . . . . 5879 1 516 . 1 1 49 49 ALA HB2 H 1 1.218 0.02 . 1 . . . . . . . . . 5879 1 517 . 1 1 49 49 ALA HB3 H 1 1.218 0.02 . 1 . . . . . . . . . 5879 1 518 . 1 1 49 49 ALA C C 13 174.333 0.05 . 1 . . . . . . . . . 5879 1 519 . 1 1 50 50 LYS N N 15 122.330 0.05 . 1 . . . . . . . . . 5879 1 520 . 1 1 50 50 LYS H H 1 6.868 0.02 . 1 . . . . . . . . . 5879 1 521 . 1 1 50 50 LYS CA C 13 58.160 0.05 . 1 . . . . . . . . . 5879 1 522 . 1 1 50 50 LYS HA H 1 4.000 0.02 . 1 . . . . . . . . . 5879 1 523 . 1 1 50 50 LYS CB C 13 32.388 0.05 . 1 . . . . . . . . . 5879 1 524 . 1 1 50 50 LYS HB3 H 1 1.760 0.02 . 2 . . . . . . . . . 5879 1 525 . 1 1 50 50 LYS HB2 H 1 1.700 0.02 . 2 . . . . . . . . . 5879 1 526 . 1 1 50 50 LYS CG C 13 24.551 0.05 . 1 . . . . . . . . . 5879 1 527 . 1 1 50 50 LYS HG3 H 1 1.370 0.02 . 2 . . . . . . . . . 5879 1 528 . 1 1 50 50 LYS HG2 H 1 1.490 0.02 . 2 . . . . . . . . . 5879 1 529 . 1 1 50 50 LYS CD C 13 29.137 0.05 . 1 . . . . . . . . . 5879 1 530 . 1 1 50 50 LYS HD3 H 1 1.690 0.02 . 1 . . . . . . . . . 5879 1 531 . 1 1 50 50 LYS HD2 H 1 1.690 0.02 . 1 . . . . . . . . . 5879 1 532 . 1 1 50 50 LYS CE C 13 41.995 0.05 . 1 . . . . . . . . . 5879 1 533 . 1 1 50 50 LYS HE3 H 1 3.010 0.02 . 1 . . . . . . . . . 5879 1 534 . 1 1 50 50 LYS HE2 H 1 3.010 0.02 . 1 . . . . . . . . . 5879 1 535 . 1 1 50 50 LYS C C 13 172.774 0.05 . 1 . . . . . . . . . 5879 1 536 . 1 1 51 51 GLY N N 15 115.424 0.05 . 1 . . . . . . . . . 5879 1 537 . 1 1 51 51 GLY H H 1 8.820 0.02 . 1 . . . . . . . . . 5879 1 538 . 1 1 51 51 GLY CA C 13 45.106 0.05 . 1 . . . . . . . . . 5879 1 539 . 1 1 51 51 GLY HA3 H 1 3.686 0.02 . 2 . . . . . . . . . 5879 1 540 . 1 1 51 51 GLY HA2 H 1 4.210 0.02 . 2 . . . . . . . . . 5879 1 541 . 1 1 51 51 GLY C C 13 175.908 0.05 . 1 . . . . . . . . . 5879 1 542 . 1 1 52 52 MET N N 15 121.537 0.05 . 1 . . . . . . . . . 5879 1 543 . 1 1 52 52 MET H H 1 7.810 0.02 . 1 . . . . . . . . . 5879 1 544 . 1 1 52 52 MET CA C 13 55.196 0.05 . 1 . . . . . . . . . 5879 1 545 . 1 1 52 52 MET HA H 1 4.520 0.02 . 1 . . . . . . . . . 5879 1 546 . 1 1 52 52 MET CB C 13 34.769 0.05 . 1 . . . . . . . . . 5879 1 547 . 1 1 52 52 MET HB3 H 1 2.200 0.02 . 2 . . . . . . . . . 5879 1 548 . 1 1 52 52 MET HB2 H 1 1.960 0.02 . 2 . . . . . . . . . 5879 1 549 . 1 1 52 52 MET CG C 13 33.300 0.05 . 1 . . . . . . . . . 5879 1 550 . 1 1 52 52 MET HG3 H 1 2.410 0.02 . 1 . . . . . . . . . 5879 1 551 . 1 1 52 52 MET HG2 H 1 2.410 0.02 . 1 . . . . . . . . . 5879 1 552 . 1 1 52 52 MET C C 13 174.923 0.05 . 1 . . . . . . . . . 5879 1 553 . 1 1 53 53 THR N N 15 122.083 0.05 . 1 . . . . . . . . . 5879 1 554 . 1 1 53 53 THR H H 1 8.596 0.02 . 1 . . . . . . . . . 5879 1 555 . 1 1 53 53 THR CA C 13 64.103 0.05 . 1 . . . . . . . . . 5879 1 556 . 1 1 53 53 THR HA H 1 4.163 0.02 . 1 . . . . . . . . . 5879 1 557 . 1 1 53 53 THR CB C 13 68.607 0.05 . 1 . . . . . . . . . 5879 1 558 . 1 1 53 53 THR HB H 1 4.350 0.02 . 1 . . . . . . . . . 5879 1 559 . 1 1 53 53 THR CG2 C 13 21.904 0.05 . 1 . . . . . . . . . 5879 1 560 . 1 1 53 53 THR HG21 H 1 1.166 0.02 . 1 . . . . . . . . . 5879 1 561 . 1 1 53 53 THR HG22 H 1 1.166 0.02 . 1 . . . . . . . . . 5879 1 562 . 1 1 53 53 THR HG23 H 1 1.166 0.02 . 1 . . . . . . . . . 5879 1 563 . 1 1 53 53 THR C C 13 177.882 0.05 . 1 . . . . . . . . . 5879 1 564 . 1 1 54 54 VAL N N 15 129.359 0.05 . 1 . . . . . . . . . 5879 1 565 . 1 1 54 54 VAL H H 1 8.253 0.02 . 1 . . . . . . . . . 5879 1 566 . 1 1 54 54 VAL CA C 13 60.055 0.05 . 1 . . . . . . . . . 5879 1 567 . 1 1 54 54 VAL HA H 1 5.340 0.02 . 1 . . . . . . . . . 5879 1 568 . 1 1 54 54 VAL CB C 13 35.045 0.05 . 1 . . . . . . . . . 5879 1 569 . 1 1 54 54 VAL HB H 1 2.000 0.02 . 1 . . . . . . . . . 5879 1 570 . 1 1 54 54 VAL CG2 C 13 21.306 0.05 . 1 . . . . . . . . . 5879 1 571 . 1 1 54 54 VAL HG21 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 572 . 1 1 54 54 VAL HG22 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 573 . 1 1 54 54 VAL HG23 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 574 . 1 1 54 54 VAL CG1 C 13 22.000 0.05 . 1 . . . . . . . . . 5879 1 575 . 1 1 54 54 VAL HG11 H 1 1.010 0.02 . 1 . . . . . . . . . 5879 1 576 . 1 1 54 54 VAL HG12 H 1 1.010 0.02 . 1 . . . . . . . . . 5879 1 577 . 1 1 54 54 VAL HG13 H 1 1.010 0.02 . 1 . . . . . . . . . 5879 1 578 . 1 1 54 54 VAL C C 13 173.398 0.05 . 1 . . . . . . . . . 5879 1 579 . 1 1 55 55 SER N N 15 123.440 0.05 . 1 . . . . . . . . . 5879 1 580 . 1 1 55 55 SER H H 1 9.154 0.02 . 1 . . . . . . . . . 5879 1 581 . 1 1 55 55 SER CA C 13 56.778 0.05 . 1 . . . . . . . . . 5879 1 582 . 1 1 55 55 SER HA H 1 4.800 0.02 . 1 . . . . . . . . . 5879 1 583 . 1 1 55 55 SER CB C 13 64.907 0.05 . 1 . . . . . . . . . 5879 1 584 . 1 1 55 55 SER HB3 H 1 3.682 0.02 . 2 . . . . . . . . . 5879 1 585 . 1 1 55 55 SER HB2 H 1 3.833 0.02 . 2 . . . . . . . . . 5879 1 586 . 1 1 55 55 SER C C 13 175.813 0.05 . 1 . . . . . . . . . 5879 1 587 . 1 1 56 56 GLY N N 15 112.711 0.05 . 1 . . . . . . . . . 5879 1 588 . 1 1 56 56 GLY H H 1 8.635 0.02 . 1 . . . . . . . . . 5879 1 589 . 1 1 56 56 GLY CA C 13 44.704 0.05 . 1 . . . . . . . . . 5879 1 590 . 1 1 56 56 GLY HA3 H 1 4.238 0.02 . 1 . . . . . . . . . 5879 1 591 . 1 1 56 56 GLY HA2 H 1 4.238 0.02 . 1 . . . . . . . . . 5879 1 592 . 1 1 56 56 GLY C C 13 177.172 0.05 . 1 . . . . . . . . . 5879 1 593 . 1 1 57 57 ASP N N 15 122.330 0.05 . 1 . . . . . . . . . 5879 1 594 . 1 1 57 57 ASP H H 1 8.108 0.02 . 1 . . . . . . . . . 5879 1 595 . 1 1 57 57 ASP CA C 13 50.990 0.05 . 1 . . . . . . . . . 5879 1 596 . 1 1 57 57 ASP HA H 1 5.120 0.02 . 1 . . . . . . . . . 5879 1 597 . 1 1 57 57 ASP CB C 13 42.336 0.05 . 1 . . . . . . . . . 5879 1 598 . 1 1 57 57 ASP HB3 H 1 2.623 0.02 . 2 . . . . . . . . . 5879 1 599 . 1 1 57 57 ASP HB2 H 1 2.880 0.02 . 2 . . . . . . . . . 5879 1 600 . 1 1 57 57 ASP C C 13 174.823 0.05 . 1 . . . . . . . . . 5879 1 601 . 1 1 58 58 PRO CA C 13 64.322 0.05 . 1 . . . . . . . . . 5879 1 602 . 1 1 58 58 PRO HA H 1 4.425 0.02 . 1 . . . . . . . . . 5879 1 603 . 1 1 58 58 PRO CB C 13 32.077 0.05 . 1 . . . . . . . . . 5879 1 604 . 1 1 58 58 PRO HB3 H 1 2.047 0.02 . 2 . . . . . . . . . 5879 1 605 . 1 1 58 58 PRO HB2 H 1 2.280 0.02 . 2 . . . . . . . . . 5879 1 606 . 1 1 58 58 PRO CG C 13 27.109 0.05 . 1 . . . . . . . . . 5879 1 607 . 1 1 58 58 PRO HG3 H 1 1.963 0.02 . 2 . . . . . . . . . 5879 1 608 . 1 1 58 58 PRO HG2 H 1 2.110 0.02 . 2 . . . . . . . . . 5879 1 609 . 1 1 58 58 PRO CD C 13 51.050 0.05 . 1 . . . . . . . . . 5879 1 610 . 1 1 58 58 PRO HD3 H 1 3.910 0.02 . 2 . . . . . . . . . 5879 1 611 . 1 1 58 58 PRO HD2 H 1 4.020 0.02 . 2 . . . . . . . . . 5879 1 612 . 1 1 58 58 PRO C C 13 172.447 0.05 . 1 . . . . . . . . . 5879 1 613 . 1 1 59 59 ALA N N 15 122.700 0.05 . 1 . . . . . . . . . 5879 1 614 . 1 1 59 59 ALA H H 1 8.263 0.02 . 1 . . . . . . . . . 5879 1 615 . 1 1 59 59 ALA CA C 13 53.766 0.05 . 1 . . . . . . . . . 5879 1 616 . 1 1 59 59 ALA HA H 1 4.308 0.02 . 1 . . . . . . . . . 5879 1 617 . 1 1 59 59 ALA CB C 13 18.368 0.05 . 1 . . . . . . . . . 5879 1 618 . 1 1 59 59 ALA HB1 H 1 1.490 0.02 . 1 . . . . . . . . . 5879 1 619 . 1 1 59 59 ALA HB2 H 1 1.490 0.02 . 1 . . . . . . . . . 5879 1 620 . 1 1 59 59 ALA HB3 H 1 1.490 0.02 . 1 . . . . . . . . . 5879 1 621 . 1 1 59 59 ALA C C 13 171.469 0.05 . 1 . . . . . . . . . 5879 1 622 . 1 1 60 60 SER N N 15 113.697 0.05 . 1 . . . . . . . . . 5879 1 623 . 1 1 60 60 SER H H 1 7.719 0.02 . 1 . . . . . . . . . 5879 1 624 . 1 1 60 60 SER CA C 13 58.252 0.05 . 1 . . . . . . . . . 5879 1 625 . 1 1 60 60 SER HA H 1 4.580 0.02 . 1 . . . . . . . . . 5879 1 626 . 1 1 60 60 SER CB C 13 64.943 0.05 . 1 . . . . . . . . . 5879 1 627 . 1 1 60 60 SER HB3 H 1 3.840 0.02 . 1 . . . . . . . . . 5879 1 628 . 1 1 60 60 SER HB2 H 1 3.840 0.02 . 1 . . . . . . . . . 5879 1 629 . 1 1 60 60 SER C C 13 174.826 0.05 . 1 . . . . . . . . . 5879 1 630 . 1 1 61 61 GLY N N 15 113.320 0.05 . 1 . . . . . . . . . 5879 1 631 . 1 1 61 61 GLY H H 1 8.080 0.02 . 1 . . . . . . . . . 5879 1 632 . 1 1 61 61 GLY CA C 13 45.985 0.05 . 1 . . . . . . . . . 5879 1 633 . 1 1 61 61 GLY HA3 H 1 3.970 0.02 . 2 . . . . . . . . . 5879 1 634 . 1 1 61 61 GLY HA2 H 1 4.142 0.02 . 2 . . . . . . . . . 5879 1 635 . 1 1 61 61 GLY C C 13 176.075 0.05 . 1 . . . . . . . . . 5879 1 636 . 1 1 62 62 SER N N 15 116.904 0.05 . 1 . . . . . . . . . 5879 1 637 . 1 1 62 62 SER H H 1 7.962 0.02 . 1 . . . . . . . . . 5879 1 638 . 1 1 62 62 SER CA C 13 57.235 0.05 . 1 . . . . . . . . . 5879 1 639 . 1 1 62 62 SER HA H 1 4.680 0.02 . 1 . . . . . . . . . 5879 1 640 . 1 1 62 62 SER CB C 13 64.530 0.05 . 1 . . . . . . . . . 5879 1 641 . 1 1 62 62 SER HB3 H 1 3.840 0.02 . 1 . . . . . . . . . 5879 1 642 . 1 1 62 62 SER HB2 H 1 3.840 0.02 . 1 . . . . . . . . . 5879 1 643 . 1 1 62 62 SER C C 13 176.551 0.05 . 1 . . . . . . . . . 5879 1 644 . 1 1 63 63 ALA N N 15 129.956 0.05 . 1 . . . . . . . . . 5879 1 645 . 1 1 63 63 ALA H H 1 9.050 0.02 . 1 . . . . . . . . . 5879 1 646 . 1 1 63 63 ALA CA C 13 52.118 0.05 . 1 . . . . . . . . . 5879 1 647 . 1 1 63 63 ALA HA H 1 4.910 0.02 . 1 . . . . . . . . . 5879 1 648 . 1 1 63 63 ALA CB C 13 20.276 0.05 . 1 . . . . . . . . . 5879 1 649 . 1 1 63 63 ALA HB1 H 1 1.349 0.02 . 1 . . . . . . . . . 5879 1 650 . 1 1 63 63 ALA HB2 H 1 1.349 0.02 . 1 . . . . . . . . . 5879 1 651 . 1 1 63 63 ALA HB3 H 1 1.349 0.02 . 1 . . . . . . . . . 5879 1 652 . 1 1 63 63 ALA C C 13 173.761 0.05 . 1 . . . . . . . . . 5879 1 653 . 1 1 64 64 THR N N 15 114.684 0.05 . 1 . . . . . . . . . 5879 1 654 . 1 1 64 64 THR H H 1 8.665 0.02 . 1 . . . . . . . . . 5879 1 655 . 1 1 64 64 THR CA C 13 59.810 0.05 . 1 . . . . . . . . . 5879 1 656 . 1 1 64 64 THR HA H 1 4.403 0.02 . 1 . . . . . . . . . 5879 1 657 . 1 1 64 64 THR CB C 13 72.147 0.05 . 1 . . . . . . . . . 5879 1 658 . 1 1 64 64 THR HB H 1 4.035 0.02 . 1 . . . . . . . . . 5879 1 659 . 1 1 64 64 THR CG2 C 13 21.816 0.05 . 1 . . . . . . . . . 5879 1 660 . 1 1 64 64 THR HG21 H 1 0.990 0.02 . 1 . . . . . . . . . 5879 1 661 . 1 1 64 64 THR HG22 H 1 0.990 0.02 . 1 . . . . . . . . . 5879 1 662 . 1 1 64 64 THR HG23 H 1 0.990 0.02 . 1 . . . . . . . . . 5879 1 663 . 1 1 64 64 THR C C 13 178.438 0.05 . 1 . . . . . . . . . 5879 1 664 . 1 1 65 65 LEU N N 15 126.276 0.05 . 1 . . . . . . . . . 5879 1 665 . 1 1 65 65 LEU H H 1 8.427 0.02 . 1 . . . . . . . . . 5879 1 666 . 1 1 65 65 LEU CA C 13 53.274 0.05 . 1 . . . . . . . . . 5879 1 667 . 1 1 65 65 LEU HA H 1 5.154 0.02 . 1 . . . . . . . . . 5879 1 668 . 1 1 65 65 LEU CB C 13 46.509 0.05 . 1 . . . . . . . . . 5879 1 669 . 1 1 65 65 LEU HB3 H 1 1.520 0.02 . 2 . . . . . . . . . 5879 1 670 . 1 1 65 65 LEU HB2 H 1 1.740 0.02 . 2 . . . . . . . . . 5879 1 671 . 1 1 65 65 LEU CG C 13 27.014 0.05 . 1 . . . . . . . . . 5879 1 672 . 1 1 65 65 LEU HG H 1 1.499 0.02 . 1 . . . . . . . . . 5879 1 673 . 1 1 65 65 LEU CD1 C 13 20.872 0.05 . 1 . . . . . . . . . 5879 1 674 . 1 1 65 65 LEU HD11 H 1 0.843 0.02 . 1 . . . . . . . . . 5879 1 675 . 1 1 65 65 LEU HD12 H 1 0.843 0.02 . 1 . . . . . . . . . 5879 1 676 . 1 1 65 65 LEU HD13 H 1 0.843 0.02 . 1 . . . . . . . . . 5879 1 677 . 1 1 65 65 LEU CD2 C 13 25.412 0.05 . 1 . . . . . . . . . 5879 1 678 . 1 1 65 65 LEU HD21 H 1 0.740 0.02 . 1 . . . . . . . . . 5879 1 679 . 1 1 65 65 LEU HD22 H 1 0.740 0.02 . 1 . . . . . . . . . 5879 1 680 . 1 1 65 65 LEU HD23 H 1 0.740 0.02 . 1 . . . . . . . . . 5879 1 681 . 1 1 65 65 LEU C C 13 175.141 0.05 . 1 . . . . . . . . . 5879 1 682 . 1 1 66 66 TRP CA C 13 55.800 0.05 . 1 . . . . . . . . . 5879 1 683 . 1 1 66 66 TRP HA H 1 5.080 0.02 . 1 . . . . . . . . . 5879 1 684 . 1 1 66 66 TRP CB C 13 32.300 0.05 . 1 . . . . . . . . . 5879 1 685 . 1 1 66 66 TRP HB3 H 1 3.335 0.02 . 2 . . . . . . . . . 5879 1 686 . 1 1 66 66 TRP HB2 H 1 2.610 0.02 . 2 . . . . . . . . . 5879 1 687 . 1 1 66 66 TRP NE1 N 15 131.800 0.05 . 1 . . . . . . . . . 5879 1 688 . 1 1 66 66 TRP HE1 H 1 10.600 0.02 . 1 . . . . . . . . . 5879 1 689 . 1 1 66 66 TRP C C 13 174.513 0.05 . 1 . . . . . . . . . 5879 1 690 . 1 1 67 67 ASN N N 15 120.747 0.05 . 1 . . . . . . . . . 5879 1 691 . 1 1 67 67 ASN H H 1 9.449 0.02 . 1 . . . . . . . . . 5879 1 692 . 1 1 67 67 ASN CA C 13 51.069 0.05 . 1 . . . . . . . . . 5879 1 693 . 1 1 67 67 ASN HA H 1 4.900 0.02 . 1 . . . . . . . . . 5879 1 694 . 1 1 67 67 ASN CB C 13 40.801 0.05 . 1 . . . . . . . . . 5879 1 695 . 1 1 67 67 ASN HB3 H 1 2.744 0.02 . 1 . . . . . . . . . 5879 1 696 . 1 1 67 67 ASN HB2 H 1 2.744 0.02 . 1 . . . . . . . . . 5879 1 697 . 1 1 67 67 ASN C C 13 172.859 0.05 . 1 . . . . . . . . . 5879 1 698 . 1 1 68 68 SER N N 15 116.410 0.05 . 1 . . . . . . . . . 5879 1 699 . 1 1 68 68 SER H H 1 8.589 0.02 . 1 . . . . . . . . . 5879 1 700 . 1 1 68 68 SER CA C 13 61.394 0.05 . 1 . . . . . . . . . 5879 1 701 . 1 1 68 68 SER HA H 1 3.960 0.02 . 1 . . . . . . . . . 5879 1 702 . 1 1 68 68 SER CB C 13 62.828 0.05 . 1 . . . . . . . . . 5879 1 703 . 1 1 68 68 SER HB2 H 1 3.120 0.02 . 2 . . . . . . . . . 5879 1 704 . 1 1 68 68 SER C C 13 176.493 0.05 . 1 . . . . . . . . . 5879 1 705 . 1 1 69 69 TRP N N 15 121.096 0.05 . 1 . . . . . . . . . 5879 1 706 . 1 1 69 69 TRP H H 1 7.957 0.02 . 1 . . . . . . . . . 5879 1 707 . 1 1 69 69 TRP C C 13 174.280 0.05 . 1 . . . . . . . . . 5879 1 708 . 1 1 70 70 GLY N N 15 109.011 0.05 . 1 . . . . . . . . . 5879 1 709 . 1 1 70 70 GLY H H 1 8.048 0.02 . 1 . . . . . . . . . 5879 1 710 . 1 1 70 70 GLY CA C 13 45.424 0.05 . 1 . . . . . . . . . 5879 1 711 . 1 1 70 70 GLY HA3 H 1 3.816 0.02 . 2 . . . . . . . . . 5879 1 712 . 1 1 70 70 GLY HA2 H 1 4.430 0.02 . 2 . . . . . . . . . 5879 1 713 . 1 1 70 70 GLY C C 13 175.146 0.05 . 1 . . . . . . . . . 5879 1 714 . 1 1 71 71 GLY N N 15 110.984 0.05 . 1 . . . . . . . . . 5879 1 715 . 1 1 71 71 GLY H H 1 8.795 0.02 . 1 . . . . . . . . . 5879 1 716 . 1 1 71 71 GLY CA C 13 43.596 0.05 . 1 . . . . . . . . . 5879 1 717 . 1 1 71 71 GLY HA3 H 1 4.060 0.02 . 2 . . . . . . . . . 5879 1 718 . 1 1 71 71 GLY HA2 H 1 4.560 0.02 . 2 . . . . . . . . . 5879 1 719 . 1 1 71 71 GLY C C 13 177.788 0.05 . 1 . . . . . . . . . 5879 1 720 . 1 1 72 72 GLN N N 15 125.413 0.05 . 1 . . . . . . . . . 5879 1 721 . 1 1 72 72 GLN H H 1 8.825 0.02 . 1 . . . . . . . . . 5879 1 722 . 1 1 72 72 GLN CA C 13 56.017 0.05 . 1 . . . . . . . . . 5879 1 723 . 1 1 72 72 GLN HA H 1 3.884 0.02 . 1 . . . . . . . . . 5879 1 724 . 1 1 72 72 GLN CB C 13 29.876 0.05 . 1 . . . . . . . . . 5879 1 725 . 1 1 72 72 GLN HB3 H 1 1.460 0.02 . 1 . . . . . . . . . 5879 1 726 . 1 1 72 72 GLN HB2 H 1 1.460 0.02 . 1 . . . . . . . . . 5879 1 727 . 1 1 72 72 GLN CG C 13 34.114 0.05 . 1 . . . . . . . . . 5879 1 728 . 1 1 72 72 GLN HG3 H 1 1.612 0.02 . 2 . . . . . . . . . 5879 1 729 . 1 1 72 72 GLN HG2 H 1 1.320 0.02 . 2 . . . . . . . . . 5879 1 730 . 1 1 72 72 GLN C C 13 173.998 0.05 . 1 . . . . . . . . . 5879 1 731 . 1 1 73 73 ILE N N 15 126.523 0.05 . 1 . . . . . . . . . 5879 1 732 . 1 1 73 73 ILE H H 1 8.062 0.02 . 1 . . . . . . . . . 5879 1 733 . 1 1 73 73 ILE CA C 13 59.691 0.05 . 1 . . . . . . . . . 5879 1 734 . 1 1 73 73 ILE HA H 1 5.154 0.02 . 1 . . . . . . . . . 5879 1 735 . 1 1 73 73 ILE CB C 13 39.566 0.05 . 1 . . . . . . . . . 5879 1 736 . 1 1 73 73 ILE HB H 1 1.332 0.02 . 1 . . . . . . . . . 5879 1 737 . 1 1 73 73 ILE CG1 C 13 27.386 0.05 . 1 . . . . . . . . . 5879 1 738 . 1 1 73 73 ILE HG13 H 1 1.720 0.02 . 1 . . . . . . . . . 5879 1 739 . 1 1 73 73 ILE HG12 H 1 1.720 0.02 . 1 . . . . . . . . . 5879 1 740 . 1 1 73 73 ILE CD1 C 13 15.497 0.05 . 1 . . . . . . . . . 5879 1 741 . 1 1 73 73 ILE HD11 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 742 . 1 1 73 73 ILE HD12 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 743 . 1 1 73 73 ILE HD13 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 744 . 1 1 73 73 ILE CG2 C 13 17.133 0.05 . 1 . . . . . . . . . 5879 1 745 . 1 1 73 73 ILE HG21 H 1 0.660 0.02 . 1 . . . . . . . . . 5879 1 746 . 1 1 73 73 ILE HG22 H 1 0.660 0.02 . 1 . . . . . . . . . 5879 1 747 . 1 1 73 73 ILE HG23 H 1 0.660 0.02 . 1 . . . . . . . . . 5879 1 748 . 1 1 73 73 ILE C C 13 175.433 0.05 . 1 . . . . . . . . . 5879 1 749 . 1 1 74 74 VAL N N 15 127.016 0.05 . 1 . . . . . . . . . 5879 1 750 . 1 1 74 74 VAL H H 1 8.663 0.02 . 1 . . . . . . . . . 5879 1 751 . 1 1 74 74 VAL CA C 13 61.198 0.05 . 1 . . . . . . . . . 5879 1 752 . 1 1 74 74 VAL HA H 1 4.216 0.02 . 1 . . . . . . . . . 5879 1 753 . 1 1 74 74 VAL CB C 13 36.094 0.05 . 1 . . . . . . . . . 5879 1 754 . 1 1 74 74 VAL HB H 1 1.666 0.02 . 1 . . . . . . . . . 5879 1 755 . 1 1 74 74 VAL CG2 C 13 20.604 0.05 . 1 . . . . . . . . . 5879 1 756 . 1 1 74 74 VAL HG21 H 1 0.706 0.02 . 1 . . . . . . . . . 5879 1 757 . 1 1 74 74 VAL HG22 H 1 0.706 0.02 . 1 . . . . . . . . . 5879 1 758 . 1 1 74 74 VAL HG23 H 1 0.706 0.02 . 1 . . . . . . . . . 5879 1 759 . 1 1 74 74 VAL CG1 C 13 21.000 0.05 . 1 . . . . . . . . . 5879 1 760 . 1 1 74 74 VAL HG11 H 1 0.762 0.02 . 1 . . . . . . . . . 5879 1 761 . 1 1 74 74 VAL HG12 H 1 0.762 0.02 . 1 . . . . . . . . . 5879 1 762 . 1 1 74 74 VAL HG13 H 1 0.762 0.02 . 1 . . . . . . . . . 5879 1 763 . 1 1 74 74 VAL C C 13 174.603 0.05 . 1 . . . . . . . . . 5879 1 764 . 1 1 75 75 VAL N N 15 108.571 0.05 . 1 . . . . . . . . . 5879 1 765 . 1 1 75 75 VAL H H 1 8.487 0.02 . 1 . . . . . . . . . 5879 1 766 . 1 1 75 75 VAL CA C 13 60.931 0.05 . 1 . . . . . . . . . 5879 1 767 . 1 1 75 75 VAL HA H 1 5.140 0.02 . 1 . . . . . . . . . 5879 1 768 . 1 1 75 75 VAL CB C 13 32.088 0.05 . 1 . . . . . . . . . 5879 1 769 . 1 1 75 75 VAL HB H 1 1.795 0.02 . 1 . . . . . . . . . 5879 1 770 . 1 1 75 75 VAL CG2 C 13 21.172 0.05 . 1 . . . . . . . . . 5879 1 771 . 1 1 75 75 VAL HG21 H 1 0.760 0.02 . 1 . . . . . . . . . 5879 1 772 . 1 1 75 75 VAL HG22 H 1 0.760 0.02 . 1 . . . . . . . . . 5879 1 773 . 1 1 75 75 VAL HG23 H 1 0.760 0.02 . 1 . . . . . . . . . 5879 1 774 . 1 1 75 75 VAL CG1 C 13 25.093 0.05 . 1 . . . . . . . . . 5879 1 775 . 1 1 75 75 VAL HG11 H 1 0.860 0.02 . 1 . . . . . . . . . 5879 1 776 . 1 1 75 75 VAL HG12 H 1 0.860 0.02 . 1 . . . . . . . . . 5879 1 777 . 1 1 75 75 VAL HG13 H 1 0.860 0.02 . 1 . . . . . . . . . 5879 1 778 . 1 1 75 75 VAL C C 13 176.820 0.05 . 1 . . . . . . . . . 5879 1 779 . 1 1 76 76 ALA N N 15 128.619 0.05 . 1 . . . . . . . . . 5879 1 780 . 1 1 76 76 ALA H H 1 8.823 0.02 . 1 . . . . . . . . . 5879 1 781 . 1 1 76 76 ALA CA C 13 49.775 0.05 . 1 . . . . . . . . . 5879 1 782 . 1 1 76 76 ALA HA H 1 5.000 0.02 . 1 . . . . . . . . . 5879 1 783 . 1 1 76 76 ALA CB C 13 21.373 0.05 . 1 . . . . . . . . . 5879 1 784 . 1 1 76 76 ALA HB1 H 1 1.250 0.02 . 1 . . . . . . . . . 5879 1 785 . 1 1 76 76 ALA HB2 H 1 1.250 0.02 . 1 . . . . . . . . . 5879 1 786 . 1 1 76 76 ALA HB3 H 1 1.250 0.02 . 1 . . . . . . . . . 5879 1 787 . 1 1 76 76 ALA C C 13 176.250 0.05 . 1 . . . . . . . . . 5879 1 788 . 1 1 77 77 PRO CA C 13 62.266 0.05 . 1 . . . . . . . . . 5879 1 789 . 1 1 77 77 PRO HA H 1 4.685 0.02 . 1 . . . . . . . . . 5879 1 790 . 1 1 77 77 PRO CB C 13 32.282 0.05 . 1 . . . . . . . . . 5879 1 791 . 1 1 77 77 PRO HB3 H 1 2.386 0.02 . 1 . . . . . . . . . 5879 1 792 . 1 1 77 77 PRO HB2 H 1 2.386 0.02 . 1 . . . . . . . . . 5879 1 793 . 1 1 77 77 PRO CG C 13 27.150 0.05 . 1 . . . . . . . . . 5879 1 794 . 1 1 77 77 PRO HG3 H 1 1.912 0.02 . 2 . . . . . . . . . 5879 1 795 . 1 1 77 77 PRO HG2 H 1 2.037 0.02 . 2 . . . . . . . . . 5879 1 796 . 1 1 77 77 PRO CD C 13 49.720 0.05 . 1 . . . . . . . . . 5879 1 797 . 1 1 77 77 PRO HD3 H 1 3.520 0.02 . 1 . . . . . . . . . 5879 1 798 . 1 1 77 77 PRO HD2 H 1 3.520 0.02 . 1 . . . . . . . . . 5879 1 799 . 1 1 77 77 PRO C C 13 173.787 0.05 . 1 . . . . . . . . . 5879 1 800 . 1 1 78 78 ASP N N 15 125.536 0.05 . 1 . . . . . . . . . 5879 1 801 . 1 1 78 78 ASP H H 1 8.200 0.02 . 1 . . . . . . . . . 5879 1 802 . 1 1 78 78 ASP CA C 13 53.622 0.05 . 1 . . . . . . . . . 5879 1 803 . 1 1 78 78 ASP HA H 1 4.773 0.02 . 1 . . . . . . . . . 5879 1 804 . 1 1 78 78 ASP CB C 13 41.435 0.05 . 1 . . . . . . . . . 5879 1 805 . 1 1 78 78 ASP HB3 H 1 2.342 0.02 . 2 . . . . . . . . . 5879 1 806 . 1 1 78 78 ASP HB2 H 1 2.623 0.02 . 2 . . . . . . . . . 5879 1 807 . 1 1 78 78 ASP C C 13 174.174 0.05 . 1 . . . . . . . . . 5879 1 808 . 1 1 79 79 THR N N 15 117.890 0.05 . 1 . . . . . . . . . 5879 1 809 . 1 1 79 79 THR H H 1 8.220 0.02 . 1 . . . . . . . . . 5879 1 810 . 1 1 79 79 THR CA C 13 61.448 0.05 . 1 . . . . . . . . . 5879 1 811 . 1 1 79 79 THR HA H 1 4.440 0.02 . 1 . . . . . . . . . 5879 1 812 . 1 1 79 79 THR CB C 13 69.654 0.05 . 1 . . . . . . . . . 5879 1 813 . 1 1 79 79 THR HB H 1 4.310 0.02 . 1 . . . . . . . . . 5879 1 814 . 1 1 79 79 THR CG2 C 13 21.407 0.05 . 1 . . . . . . . . . 5879 1 815 . 1 1 79 79 THR HG21 H 1 1.197 0.02 . 1 . . . . . . . . . 5879 1 816 . 1 1 79 79 THR HG22 H 1 1.197 0.02 . 1 . . . . . . . . . 5879 1 817 . 1 1 79 79 THR HG23 H 1 1.197 0.02 . 1 . . . . . . . . . 5879 1 818 . 1 1 79 79 THR C C 13 175.272 0.05 . 1 . . . . . . . . . 5879 1 819 . 1 1 80 80 ALA N N 15 128.866 0.05 . 1 . . . . . . . . . 5879 1 820 . 1 1 80 80 ALA H H 1 8.287 0.02 . 1 . . . . . . . . . 5879 1 821 . 1 1 80 80 ALA CA C 13 52.945 0.05 . 1 . . . . . . . . . 5879 1 822 . 1 1 80 80 ALA HA H 1 4.294 0.02 . 1 . . . . . . . . . 5879 1 823 . 1 1 80 80 ALA CB C 13 19.002 0.05 . 1 . . . . . . . . . 5879 1 824 . 1 1 80 80 ALA HB1 H 1 1.405 0.02 . 1 . . . . . . . . . 5879 1 825 . 1 1 80 80 ALA HB2 H 1 1.405 0.02 . 1 . . . . . . . . . 5879 1 826 . 1 1 80 80 ALA HB3 H 1 1.405 0.02 . 1 . . . . . . . . . 5879 1 827 . 1 1 80 80 ALA C C 13 171.919 0.05 . 1 . . . . . . . . . 5879 1 828 . 1 1 81 81 GLY N N 15 110.367 0.05 . 1 . . . . . . . . . 5879 1 829 . 1 1 81 81 GLY H H 1 8.396 0.02 . 1 . . . . . . . . . 5879 1 830 . 1 1 81 81 GLY CA C 13 45.452 0.05 . 1 . . . . . . . . . 5879 1 831 . 1 1 81 81 GLY HA3 H 1 3.970 0.02 . 1 . . . . . . . . . 5879 1 832 . 1 1 81 81 GLY HA2 H 1 3.970 0.02 . 1 . . . . . . . . . 5879 1 833 . 1 1 81 81 GLY C C 13 175.259 0.05 . 1 . . . . . . . . . 5879 1 834 . 1 1 82 82 GLY N N 15 111.107 0.05 . 1 . . . . . . . . . 5879 1 835 . 1 1 82 82 GLY H H 1 8.206 0.02 . 1 . . . . . . . . . 5879 1 836 . 1 1 82 82 GLY CA C 13 45.347 0.05 . 1 . . . . . . . . . 5879 1 837 . 1 1 82 82 GLY HA3 H 1 3.980 0.02 . 2 . . . . . . . . . 5879 1 838 . 1 1 82 82 GLY HA2 H 1 4.100 0.02 . 2 . . . . . . . . . 5879 1 839 . 1 1 82 82 GLY C C 13 175.608 0.05 . 1 . . . . . . . . . 5879 1 840 . 1 1 83 83 THR N N 15 114.930 0.05 . 1 . . . . . . . . . 5879 1 841 . 1 1 83 83 THR H H 1 8.148 0.02 . 1 . . . . . . . . . 5879 1 842 . 1 1 83 83 THR CA C 13 61.824 0.05 . 1 . . . . . . . . . 5879 1 843 . 1 1 83 83 THR HA H 1 4.344 0.02 . 1 . . . . . . . . . 5879 1 844 . 1 1 83 83 THR CB C 13 69.581 0.05 . 1 . . . . . . . . . 5879 1 845 . 1 1 83 83 THR HB H 1 4.278 0.02 . 1 . . . . . . . . . 5879 1 846 . 1 1 83 83 THR HG21 H 1 1.218 0.02 . 1 . . . . . . . . . 5879 1 847 . 1 1 83 83 THR HG22 H 1 1.218 0.02 . 1 . . . . . . . . . 5879 1 848 . 1 1 83 83 THR HG23 H 1 1.218 0.02 . 1 . . . . . . . . . 5879 1 849 . 1 1 83 83 THR C C 13 175.004 0.05 . 1 . . . . . . . . . 5879 1 850 . 1 1 84 84 GLY N N 15 113.450 0.05 . 1 . . . . . . . . . 5879 1 851 . 1 1 84 84 GLY H H 1 8.405 0.02 . 1 . . . . . . . . . 5879 1 852 . 1 1 84 84 GLY CA C 13 45.217 0.05 . 1 . . . . . . . . . 5879 1 853 . 1 1 84 84 GLY HA3 H 1 3.810 0.02 . 2 . . . . . . . . . 5879 1 854 . 1 1 84 84 GLY HA2 H 1 3.990 0.02 . 2 . . . . . . . . . 5879 1 855 . 1 1 84 84 GLY C C 13 176.609 0.05 . 1 . . . . . . . . . 5879 1 856 . 1 1 85 85 PHE N N 15 122.231 0.05 . 1 . . . . . . . . . 5879 1 857 . 1 1 85 85 PHE H H 1 8.080 0.02 . 1 . . . . . . . . . 5879 1 858 . 1 1 85 85 PHE CA C 13 57.600 0.05 . 1 . . . . . . . . . 5879 1 859 . 1 1 85 85 PHE HA H 1 4.680 0.02 . 1 . . . . . . . . . 5879 1 860 . 1 1 85 85 PHE CB C 13 39.536 0.05 . 1 . . . . . . . . . 5879 1 861 . 1 1 85 85 PHE HB3 H 1 2.997 0.02 . 2 . . . . . . . . . 5879 1 862 . 1 1 85 85 PHE HB2 H 1 3.191 0.02 . 2 . . . . . . . . . 5879 1 863 . 1 1 85 85 PHE HD1 H 1 7.246 0.02 . 3 . . . . . . . . . 5879 1 864 . 1 1 85 85 PHE C C 13 174.917 0.05 . 1 . . . . . . . . . 5879 1 865 . 1 1 86 86 ASN N N 15 122.946 0.05 . 1 . . . . . . . . . 5879 1 866 . 1 1 86 86 ASN H H 1 8.510 0.02 . 1 . . . . . . . . . 5879 1 867 . 1 1 86 86 ASN CA C 13 53.094 0.05 . 1 . . . . . . . . . 5879 1 868 . 1 1 86 86 ASN HA H 1 4.820 0.02 . 1 . . . . . . . . . 5879 1 869 . 1 1 86 86 ASN CB C 13 39.078 0.05 . 1 . . . . . . . . . 5879 1 870 . 1 1 86 86 ASN HB3 H 1 2.809 0.02 . 1 . . . . . . . . . 5879 1 871 . 1 1 86 86 ASN HB2 H 1 2.809 0.02 . 1 . . . . . . . . . 5879 1 872 . 1 1 86 86 ASN C C 13 175.696 0.05 . 1 . . . . . . . . . 5879 1 873 . 1 1 87 87 ASN N N 15 121.220 0.05 . 1 . . . . . . . . . 5879 1 874 . 1 1 87 87 ASN H H 1 8.275 0.02 . 1 . . . . . . . . . 5879 1 875 . 1 1 87 87 ASN CA C 13 53.497 0.05 . 1 . . . . . . . . . 5879 1 876 . 1 1 87 87 ASN HA H 1 4.865 0.02 . 1 . . . . . . . . . 5879 1 877 . 1 1 87 87 ASN CB C 13 39.090 0.05 . 1 . . . . . . . . . 5879 1 878 . 1 1 87 87 ASN HB3 H 1 2.850 0.02 . 2 . . . . . . . . . 5879 1 879 . 1 1 87 87 ASN HB2 H 1 2.990 0.02 . 2 . . . . . . . . . 5879 1 880 . 1 1 87 87 ASN C C 13 175.658 0.05 . 1 . . . . . . . . . 5879 1 881 . 1 1 88 88 GLY N N 15 109.504 0.05 . 1 . . . . . . . . . 5879 1 882 . 1 1 88 88 GLY H H 1 8.220 0.02 . 1 . . . . . . . . . 5879 1 883 . 1 1 88 88 GLY CA C 13 45.460 0.05 . 1 . . . . . . . . . 5879 1 884 . 1 1 88 88 GLY HA3 H 1 4.300 0.02 . 2 . . . . . . . . . 5879 1 885 . 1 1 88 88 GLY HA2 H 1 4.490 0.02 . 2 . . . . . . . . . 5879 1 886 . 1 1 88 88 GLY C C 13 176.644 0.05 . 1 . . . . . . . . . 5879 1 887 . 1 1 89 89 PHE N N 15 119.123 0.05 . 1 . . . . . . . . . 5879 1 888 . 1 1 89 89 PHE H H 1 8.470 0.02 . 1 . . . . . . . . . 5879 1 889 . 1 1 89 89 PHE CA C 13 56.369 0.05 . 1 . . . . . . . . . 5879 1 890 . 1 1 89 89 PHE HA H 1 5.390 0.02 . 1 . . . . . . . . . 5879 1 891 . 1 1 89 89 PHE CB C 13 41.269 0.05 . 1 . . . . . . . . . 5879 1 892 . 1 1 89 89 PHE HB3 H 1 2.897 0.02 . 2 . . . . . . . . . 5879 1 893 . 1 1 89 89 PHE HB2 H 1 3.038 0.02 . 2 . . . . . . . . . 5879 1 894 . 1 1 89 89 PHE HD1 H 1 6.881 0.02 . 3 . . . . . . . . . 5879 1 895 . 1 1 89 89 PHE C C 13 177.797 0.05 . 1 . . . . . . . . . 5879 1 896 . 1 1 90 90 THR N N 15 110.989 0.05 . 1 . . . . . . . . . 5879 1 897 . 1 1 90 90 THR H H 1 9.656 0.02 . 1 . . . . . . . . . 5879 1 898 . 1 1 90 90 THR CA C 13 58.527 0.05 . 1 . . . . . . . . . 5879 1 899 . 1 1 90 90 THR HA H 1 5.608 0.02 . 1 . . . . . . . . . 5879 1 900 . 1 1 90 90 THR CB C 13 72.488 0.05 . 1 . . . . . . . . . 5879 1 901 . 1 1 90 90 THR HB H 1 3.900 0.02 . 1 . . . . . . . . . 5879 1 902 . 1 1 90 90 THR CG2 C 13 21.902 0.05 . 1 . . . . . . . . . 5879 1 903 . 1 1 90 90 THR HG21 H 1 1.045 0.02 . 1 . . . . . . . . . 5879 1 904 . 1 1 90 90 THR HG22 H 1 1.045 0.02 . 1 . . . . . . . . . 5879 1 905 . 1 1 90 90 THR HG23 H 1 1.045 0.02 . 1 . . . . . . . . . 5879 1 906 . 1 1 90 90 THR C C 13 175.475 0.05 . 1 . . . . . . . . . 5879 1 907 . 1 1 91 91 ILE N N 15 122.083 0.05 . 1 . . . . . . . . . 5879 1 908 . 1 1 91 91 ILE H H 1 9.034 0.02 . 1 . . . . . . . . . 5879 1 909 . 1 1 91 91 ILE CA C 13 61.465 0.05 . 1 . . . . . . . . . 5879 1 910 . 1 1 91 91 ILE HA H 1 4.779 0.02 . 1 . . . . . . . . . 5879 1 911 . 1 1 91 91 ILE CB C 13 41.435 0.05 . 1 . . . . . . . . . 5879 1 912 . 1 1 91 91 ILE HB H 1 2.061 0.02 . 1 . . . . . . . . . 5879 1 913 . 1 1 91 91 ILE CG1 C 13 28.103 0.05 . 1 . . . . . . . . . 5879 1 914 . 1 1 91 91 ILE HG13 H 1 2.140 0.02 . 1 . . . . . . . . . 5879 1 915 . 1 1 91 91 ILE HG12 H 1 2.140 0.02 . 1 . . . . . . . . . 5879 1 916 . 1 1 91 91 ILE CD1 C 13 14.195 0.05 . 1 . . . . . . . . . 5879 1 917 . 1 1 91 91 ILE HD11 H 1 1.070 0.02 . 1 . . . . . . . . . 5879 1 918 . 1 1 91 91 ILE HD12 H 1 1.070 0.02 . 1 . . . . . . . . . 5879 1 919 . 1 1 91 91 ILE HD13 H 1 1.070 0.02 . 1 . . . . . . . . . 5879 1 920 . 1 1 91 91 ILE CG2 C 13 16.324 0.05 . 1 . . . . . . . . . 5879 1 921 . 1 1 91 91 ILE HG21 H 1 0.743 0.02 . 1 . . . . . . . . . 5879 1 922 . 1 1 91 91 ILE HG22 H 1 0.743 0.02 . 1 . . . . . . . . . 5879 1 923 . 1 1 91 91 ILE HG23 H 1 0.743 0.02 . 1 . . . . . . . . . 5879 1 924 . 1 1 91 91 ILE C C 13 175.866 0.05 . 1 . . . . . . . . . 5879 1 925 . 1 1 92 92 THR N N 15 126.646 0.05 . 1 . . . . . . . . . 5879 1 926 . 1 1 92 92 THR H H 1 8.754 0.02 . 1 . . . . . . . . . 5879 1 927 . 1 1 92 92 THR CA C 13 61.174 0.05 . 1 . . . . . . . . . 5879 1 928 . 1 1 92 92 THR HA H 1 5.192 0.02 . 1 . . . . . . . . . 5879 1 929 . 1 1 92 92 THR CB C 13 70.278 0.05 . 1 . . . . . . . . . 5879 1 930 . 1 1 92 92 THR HB H 1 3.748 0.02 . 1 . . . . . . . . . 5879 1 931 . 1 1 92 92 THR CG2 C 13 20.763 0.05 . 1 . . . . . . . . . 5879 1 932 . 1 1 92 92 THR HG21 H 1 1.020 0.02 . 1 . . . . . . . . . 5879 1 933 . 1 1 92 92 THR HG22 H 1 1.020 0.02 . 1 . . . . . . . . . 5879 1 934 . 1 1 92 92 THR HG23 H 1 1.020 0.02 . 1 . . . . . . . . . 5879 1 935 . 1 1 92 92 THR C C 13 177.113 0.05 . 1 . . . . . . . . . 5879 1 936 . 1 1 93 93 THR N N 15 123.563 0.05 . 1 . . . . . . . . . 5879 1 937 . 1 1 93 93 THR H H 1 8.887 0.02 . 1 . . . . . . . . . 5879 1 938 . 1 1 93 93 THR CA C 13 57.826 0.05 . 1 . . . . . . . . . 5879 1 939 . 1 1 93 93 THR HA H 1 5.428 0.02 . 1 . . . . . . . . . 5879 1 940 . 1 1 93 93 THR CB C 13 71.613 0.05 . 1 . . . . . . . . . 5879 1 941 . 1 1 93 93 THR HB H 1 3.654 0.02 . 1 . . . . . . . . . 5879 1 942 . 1 1 93 93 THR CG2 C 13 20.580 0.05 . 1 . . . . . . . . . 5879 1 943 . 1 1 93 93 THR HG21 H 1 1.245 0.02 . 1 . . . . . . . . . 5879 1 944 . 1 1 93 93 THR HG22 H 1 1.245 0.02 . 1 . . . . . . . . . 5879 1 945 . 1 1 93 93 THR HG23 H 1 1.245 0.02 . 1 . . . . . . . . . 5879 1 946 . 1 1 93 93 THR C C 13 178.667 0.05 . 1 . . . . . . . . . 5879 1 947 . 1 1 94 94 ASN N N 15 127.386 0.05 . 1 . . . . . . . . . 5879 1 948 . 1 1 94 94 ASN H H 1 7.211 0.02 . 1 . . . . . . . . . 5879 1 949 . 1 1 94 94 ASN CA C 13 52.652 0.05 . 1 . . . . . . . . . 5879 1 950 . 1 1 94 94 ASN HA H 1 5.450 0.02 . 1 . . . . . . . . . 5879 1 951 . 1 1 94 94 ASN CB C 13 43.038 0.05 . 1 . . . . . . . . . 5879 1 952 . 1 1 94 94 ASN HB3 H 1 2.667 0.02 . 2 . . . . . . . . . 5879 1 953 . 1 1 94 94 ASN HB2 H 1 3.038 0.02 . 2 . . . . . . . . . 5879 1 954 . 1 1 94 94 ASN C C 13 176.690 0.05 . 1 . . . . . . . . . 5879 1 955 . 1 1 95 95 LYS N N 15 118.013 0.05 . 1 . . . . . . . . . 5879 1 956 . 1 1 95 95 LYS H H 1 8.723 0.02 . 1 . . . . . . . . . 5879 1 957 . 1 1 95 95 LYS CA C 13 56.658 0.05 . 1 . . . . . . . . . 5879 1 958 . 1 1 95 95 LYS HA H 1 3.412 0.02 . 1 . . . . . . . . . 5879 1 959 . 1 1 95 95 LYS CB C 13 29.850 0.05 . 1 . . . . . . . . . 5879 1 960 . 1 1 95 95 LYS HB3 H 1 2.000 0.02 . 2 . . . . . . . . . 5879 1 961 . 1 1 95 95 LYS HB2 H 1 2.050 0.02 . 2 . . . . . . . . . 5879 1 962 . 1 1 95 95 LYS CG C 13 25.412 0.05 . 1 . . . . . . . . . 5879 1 963 . 1 1 95 95 LYS HG3 H 1 1.360 0.02 . 2 . . . . . . . . . 5879 1 964 . 1 1 95 95 LYS HG2 H 1 1.430 0.02 . 2 . . . . . . . . . 5879 1 965 . 1 1 95 95 LYS CD C 13 29.709 0.05 . 1 . . . . . . . . . 5879 1 966 . 1 1 95 95 LYS HD3 H 1 1.720 0.02 . 1 . . . . . . . . . 5879 1 967 . 1 1 95 95 LYS HD2 H 1 1.720 0.02 . 1 . . . . . . . . . 5879 1 968 . 1 1 95 95 LYS CE C 13 42.236 0.05 . 1 . . . . . . . . . 5879 1 969 . 1 1 95 95 LYS HE3 H 1 3.120 0.02 . 1 . . . . . . . . . 5879 1 970 . 1 1 95 95 LYS HE2 H 1 3.120 0.02 . 1 . . . . . . . . . 5879 1 971 . 1 1 95 95 LYS C C 13 174.955 0.05 . 1 . . . . . . . . . 5879 1 972 . 1 1 96 96 VAL N N 15 122.453 0.05 . 1 . . . . . . . . . 5879 1 973 . 1 1 96 96 VAL H H 1 8.905 0.02 . 1 . . . . . . . . . 5879 1 974 . 1 1 96 96 VAL CA C 13 60.731 0.05 . 1 . . . . . . . . . 5879 1 975 . 1 1 96 96 VAL HA H 1 3.561 0.02 . 1 . . . . . . . . . 5879 1 976 . 1 1 96 96 VAL CB C 13 32.722 0.05 . 1 . . . . . . . . . 5879 1 977 . 1 1 96 96 VAL HB H 1 1.593 0.02 . 1 . . . . . . . . . 5879 1 978 . 1 1 96 96 VAL CG2 C 13 22.741 0.05 . 1 . . . . . . . . . 5879 1 979 . 1 1 96 96 VAL HG21 H 1 0.886 0.02 . 1 . . . . . . . . . 5879 1 980 . 1 1 96 96 VAL HG22 H 1 0.886 0.02 . 1 . . . . . . . . . 5879 1 981 . 1 1 96 96 VAL HG23 H 1 0.886 0.02 . 1 . . . . . . . . . 5879 1 982 . 1 1 96 96 VAL CG1 C 13 20.337 0.05 . 1 . . . . . . . . . 5879 1 983 . 1 1 96 96 VAL HG11 H 1 0.590 0.02 . 1 . . . . . . . . . 5879 1 984 . 1 1 96 96 VAL HG12 H 1 0.590 0.02 . 1 . . . . . . . . . 5879 1 985 . 1 1 96 96 VAL HG13 H 1 0.590 0.02 . 1 . . . . . . . . . 5879 1 986 . 1 1 96 96 VAL C C 13 174.644 0.05 . 1 . . . . . . . . . 5879 1 987 . 1 1 97 97 PRO CA C 13 62.561 0.05 . 1 . . . . . . . . . 5879 1 988 . 1 1 97 97 PRO HA H 1 4.660 0.02 . 1 . . . . . . . . . 5879 1 989 . 1 1 97 97 PRO CB C 13 32.625 0.05 . 1 . . . . . . . . . 5879 1 990 . 1 1 97 97 PRO HB3 H 1 2.116 0.02 . 2 . . . . . . . . . 5879 1 991 . 1 1 97 97 PRO HB2 H 1 1.720 0.02 . 2 . . . . . . . . . 5879 1 992 . 1 1 97 97 PRO CG C 13 27.112 0.05 . 1 . . . . . . . . . 5879 1 993 . 1 1 97 97 PRO HG3 H 1 0.926 0.02 . 2 . . . . . . . . . 5879 1 994 . 1 1 97 97 PRO HG2 H 1 1.090 0.02 . 2 . . . . . . . . . 5879 1 995 . 1 1 97 97 PRO CD C 13 50.400 0.05 . 1 . . . . . . . . . 5879 1 996 . 1 1 97 97 PRO HD3 H 1 3.040 0.02 . 1 . . . . . . . . . 5879 1 997 . 1 1 97 97 PRO HD2 H 1 3.040 0.02 . 1 . . . . . . . . . 5879 1 998 . 1 1 97 97 PRO C C 13 173.954 0.05 . 1 . . . . . . . . . 5879 1 999 . 1 1 98 98 GLN N N 15 127.824 0.05 . 1 . . . . . . . . . 5879 1 1000 . 1 1 98 98 GLN H H 1 10.062 0.02 . 1 . . . . . . . . . 5879 1 1001 . 1 1 98 98 GLN CA C 13 61.752 0.05 . 1 . . . . . . . . . 5879 1 1002 . 1 1 98 98 GLN HA H 1 3.520 0.02 . 1 . . . . . . . . . 5879 1 1003 . 1 1 98 98 GLN CB C 13 28.674 0.05 . 1 . . . . . . . . . 5879 1 1004 . 1 1 98 98 GLN HB3 H 1 2.140 0.02 . 2 . . . . . . . . . 5879 1 1005 . 1 1 98 98 GLN HB2 H 1 1.900 0.02 . 2 . . . . . . . . . 5879 1 1006 . 1 1 98 98 GLN CG C 13 33.649 0.05 . 1 . . . . . . . . . 5879 1 1007 . 1 1 98 98 GLN HG3 H 1 2.680 0.02 . 1 . . . . . . . . . 5879 1 1008 . 1 1 98 98 GLN HG2 H 1 2.680 0.02 . 1 . . . . . . . . . 5879 1 1009 . 1 1 98 98 GLN C C 13 172.355 0.05 . 1 . . . . . . . . . 5879 1 1010 . 1 1 99 99 SER N N 15 115.670 0.05 . 1 . . . . . . . . . 5879 1 1011 . 1 1 99 99 SER H H 1 9.089 0.02 . 1 . . . . . . . . . 5879 1 1012 . 1 1 99 99 SER CA C 13 61.198 0.05 . 1 . . . . . . . . . 5879 1 1013 . 1 1 99 99 SER HA H 1 4.090 0.02 . 1 . . . . . . . . . 5879 1 1014 . 1 1 99 99 SER CB C 13 61.999 0.05 . 1 . . . . . . . . . 5879 1 1015 . 1 1 99 99 SER HB3 H 1 3.900 0.02 . 1 . . . . . . . . . 5879 1 1016 . 1 1 99 99 SER HB2 H 1 3.900 0.02 . 1 . . . . . . . . . 5879 1 1017 . 1 1 99 99 SER C C 13 172.678 0.05 . 1 . . . . . . . . . 5879 1 1018 . 1 1 100 100 ALA N N 15 126.153 0.05 . 1 . . . . . . . . . 5879 1 1019 . 1 1 100 100 ALA H H 1 6.708 0.02 . 1 . . . . . . . . . 5879 1 1020 . 1 1 100 100 ALA CA C 13 53.797 0.05 . 1 . . . . . . . . . 5879 1 1021 . 1 1 100 100 ALA HA H 1 4.148 0.02 . 1 . . . . . . . . . 5879 1 1022 . 1 1 100 100 ALA CB C 13 19.002 0.05 . 1 . . . . . . . . . 5879 1 1023 . 1 1 100 100 ALA HB1 H 1 1.115 0.02 . 1 . . . . . . . . . 5879 1 1024 . 1 1 100 100 ALA HB2 H 1 1.115 0.02 . 1 . . . . . . . . . 5879 1 1025 . 1 1 100 100 ALA HB3 H 1 1.115 0.02 . 1 . . . . . . . . . 5879 1 1026 . 1 1 101 101 CYS N N 15 123.070 0.05 . 1 . . . . . . . . . 5879 1 1027 . 1 1 101 101 CYS H H 1 8.940 0.02 . 1 . . . . . . . . . 5879 1 1028 . 1 1 101 101 CYS CA C 13 60.101 0.05 . 1 . . . . . . . . . 5879 1 1029 . 1 1 101 101 CYS HA H 1 3.887 0.02 . 1 . . . . . . . . . 5879 1 1030 . 1 1 101 101 CYS CB C 13 38.755 0.05 . 1 . . . . . . . . . 5879 1 1031 . 1 1 101 101 CYS HB3 H 1 2.660 0.02 . 1 . . . . . . . . . 5879 1 1032 . 1 1 101 101 CYS HB2 H 1 2.660 0.02 . 1 . . . . . . . . . 5879 1 1033 . 1 1 101 101 CYS C C 13 173.435 0.05 . 1 . . . . . . . . . 5879 1 1034 . 1 1 102 102 VAL N N 15 125.906 0.05 . 1 . . . . . . . . . 5879 1 1035 . 1 1 102 102 VAL H H 1 7.932 0.02 . 1 . . . . . . . . . 5879 1 1036 . 1 1 102 102 VAL CA C 13 66.422 0.05 . 1 . . . . . . . . . 5879 1 1037 . 1 1 102 102 VAL HA H 1 3.505 0.02 . 1 . . . . . . . . . 5879 1 1038 . 1 1 102 102 VAL CB C 13 31.955 0.05 . 1 . . . . . . . . . 5879 1 1039 . 1 1 102 102 VAL HB H 1 2.230 0.02 . 1 . . . . . . . . . 5879 1 1040 . 1 1 102 102 VAL CG2 C 13 21.940 0.05 . 1 . . . . . . . . . 5879 1 1041 . 1 1 102 102 VAL HG21 H 1 0.927 0.02 . 1 . . . . . . . . . 5879 1 1042 . 1 1 102 102 VAL HG22 H 1 0.927 0.02 . 1 . . . . . . . . . 5879 1 1043 . 1 1 102 102 VAL HG23 H 1 0.927 0.02 . 1 . . . . . . . . . 5879 1 1044 . 1 1 102 102 VAL CG1 C 13 20.604 0.05 . 1 . . . . . . . . . 5879 1 1045 . 1 1 102 102 VAL HG11 H 1 0.900 0.02 . 1 . . . . . . . . . 5879 1 1046 . 1 1 102 102 VAL HG12 H 1 0.900 0.02 . 1 . . . . . . . . . 5879 1 1047 . 1 1 102 102 VAL HG13 H 1 0.900 0.02 . 1 . . . . . . . . . 5879 1 1048 . 1 1 102 102 VAL C C 13 172.174 0.05 . 1 . . . . . . . . . 5879 1 1049 . 1 1 103 103 SER N N 15 119.000 0.05 . 1 . . . . . . . . . 5879 1 1050 . 1 1 103 103 SER H H 1 8.015 0.02 . 1 . . . . . . . . . 5879 1 1051 . 1 1 103 103 SER CA C 13 58.831 0.05 . 1 . . . . . . . . . 5879 1 1052 . 1 1 103 103 SER HA H 1 4.088 0.02 . 1 . . . . . . . . . 5879 1 1053 . 1 1 103 103 SER CB C 13 63.104 0.05 . 1 . . . . . . . . . 5879 1 1054 . 1 1 103 103 SER HB3 H 1 3.919 0.02 . 1 . . . . . . . . . 5879 1 1055 . 1 1 103 103 SER HB2 H 1 3.919 0.02 . 1 . . . . . . . . . 5879 1 1056 . 1 1 103 103 SER C C 13 173.000 0.05 . 1 . . . . . . . . . 5879 1 1057 . 1 1 104 104 ILE N N 15 123.810 0.05 . 1 . . . . . . . . . 5879 1 1058 . 1 1 104 104 ILE H H 1 9.624 0.02 . 1 . . . . . . . . . 5879 1 1059 . 1 1 104 104 ILE CA C 13 65.293 0.05 . 1 . . . . . . . . . 5879 1 1060 . 1 1 104 104 ILE HA H 1 3.950 0.02 . 1 . . . . . . . . . 5879 1 1061 . 1 1 104 104 ILE CB C 13 38.130 0.05 . 1 . . . . . . . . . 5879 1 1062 . 1 1 104 104 ILE HB H 1 1.970 0.02 . 1 . . . . . . . . . 5879 1 1063 . 1 1 104 104 ILE CG1 C 13 30.278 0.05 . 1 . . . . . . . . . 5879 1 1064 . 1 1 104 104 ILE HG13 H 1 2.140 0.02 . 1 . . . . . . . . . 5879 1 1065 . 1 1 104 104 ILE HG12 H 1 2.140 0.02 . 1 . . . . . . . . . 5879 1 1066 . 1 1 104 104 ILE CD1 C 13 15.490 0.05 . 1 . . . . . . . . . 5879 1 1067 . 1 1 104 104 ILE HD11 H 1 1.300 0.02 . 1 . . . . . . . . . 5879 1 1068 . 1 1 104 104 ILE HD12 H 1 1.300 0.02 . 1 . . . . . . . . . 5879 1 1069 . 1 1 104 104 ILE HD13 H 1 1.300 0.02 . 1 . . . . . . . . . 5879 1 1070 . 1 1 104 104 ILE CG2 C 13 18.701 0.05 . 1 . . . . . . . . . 5879 1 1071 . 1 1 104 104 ILE HG21 H 1 1.170 0.02 . 1 . . . . . . . . . 5879 1 1072 . 1 1 104 104 ILE HG22 H 1 1.170 0.02 . 1 . . . . . . . . . 5879 1 1073 . 1 1 104 104 ILE HG23 H 1 1.170 0.02 . 1 . . . . . . . . . 5879 1 1074 . 1 1 104 104 ILE C C 13 172.296 0.05 . 1 . . . . . . . . . 5879 1 1075 . 1 1 105 105 SER N N 15 118.383 0.05 . 1 . . . . . . . . . 5879 1 1076 . 1 1 105 105 SER H H 1 8.100 0.02 . 1 . . . . . . . . . 5879 1 1077 . 1 1 105 105 SER CA C 13 64.136 0.05 . 1 . . . . . . . . . 5879 1 1078 . 1 1 105 105 SER HA H 1 3.842 0.02 . 1 . . . . . . . . . 5879 1 1079 . 1 1 105 105 SER CB C 13 62.200 0.05 . 1 . . . . . . . . . 5879 1 1080 . 1 1 105 105 SER HB3 H 1 3.935 0.02 . 1 . . . . . . . . . 5879 1 1081 . 1 1 105 105 SER HB2 H 1 3.935 0.02 . 1 . . . . . . . . . 5879 1 1082 . 1 1 105 105 SER C C 13 173.641 0.05 . 1 . . . . . . . . . 5879 1 1083 . 1 1 106 106 THR N N 15 116.259 0.05 . 1 . . . . . . . . . 5879 1 1084 . 1 1 106 106 THR H H 1 7.593 0.02 . 1 . . . . . . . . . 5879 1 1085 . 1 1 106 106 THR CA C 13 65.648 0.05 . 1 . . . . . . . . . 5879 1 1086 . 1 1 106 106 THR HA H 1 4.030 0.02 . 1 . . . . . . . . . 5879 1 1087 . 1 1 106 106 THR CB C 13 68.468 0.05 . 1 . . . . . . . . . 5879 1 1088 . 1 1 106 106 THR HB H 1 4.147 0.02 . 1 . . . . . . . . . 5879 1 1089 . 1 1 106 106 THR CG2 C 13 21.829 0.05 . 1 . . . . . . . . . 5879 1 1090 . 1 1 106 106 THR HG21 H 1 1.177 0.02 . 1 . . . . . . . . . 5879 1 1091 . 1 1 106 106 THR HG22 H 1 1.177 0.02 . 1 . . . . . . . . . 5879 1 1092 . 1 1 106 106 THR HG23 H 1 1.177 0.02 . 1 . . . . . . . . . 5879 1 1093 . 1 1 106 106 THR C C 13 172.300 0.05 . 1 . . . . . . . . . 5879 1 1094 . 1 1 107 107 GLY N N 15 114.314 0.05 . 1 . . . . . . . . . 5879 1 1095 . 1 1 107 107 GLY H H 1 8.216 0.02 . 1 . . . . . . . . . 5879 1 1096 . 1 1 107 107 GLY CA C 13 47.619 0.05 . 1 . . . . . . . . . 5879 1 1097 . 1 1 107 107 GLY HA3 H 1 3.772 0.02 . 2 . . . . . . . . . 5879 1 1098 . 1 1 107 107 GLY HA2 H 1 3.941 0.02 . 2 . . . . . . . . . 5879 1 1099 . 1 1 107 107 GLY C C 13 173.431 0.05 . 1 . . . . . . . . . 5879 1 1100 . 1 1 108 108 MET N N 15 123.440 0.05 . 1 . . . . . . . . . 5879 1 1101 . 1 1 108 108 MET H H 1 8.959 0.02 . 1 . . . . . . . . . 5879 1 1102 . 1 1 108 108 MET CA C 13 56.391 0.05 . 1 . . . . . . . . . 5879 1 1103 . 1 1 108 108 MET HA H 1 4.280 0.02 . 1 . . . . . . . . . 5879 1 1104 . 1 1 108 108 MET CB C 13 30.454 0.05 . 1 . . . . . . . . . 5879 1 1105 . 1 1 108 108 MET HB3 H 1 2.131 0.02 . 1 . . . . . . . . . 5879 1 1106 . 1 1 108 108 MET HB2 H 1 2.131 0.02 . 1 . . . . . . . . . 5879 1 1107 . 1 1 108 108 MET CG C 13 32.500 0.05 . 1 . . . . . . . . . 5879 1 1108 . 1 1 108 108 MET HG3 H 1 2.500 0.02 . 2 . . . . . . . . . 5879 1 1109 . 1 1 108 108 MET HG2 H 1 1.765 0.02 . 2 . . . . . . . . . 5879 1 1110 . 1 1 108 108 MET CE C 13 16.800 0.05 . 1 . . . . . . . . . 5879 1 1111 . 1 1 108 108 MET HE1 H 1 1.360 0.02 . 1 . . . . . . . . . 5879 1 1112 . 1 1 108 108 MET HE2 H 1 1.360 0.02 . 1 . . . . . . . . . 5879 1 1113 . 1 1 108 108 MET HE3 H 1 1.360 0.02 . 1 . . . . . . . . . 5879 1 1114 . 1 1 108 108 MET C C 13 170.125 0.05 . 1 . . . . . . . . . 5879 1 1115 . 1 1 109 109 SER N N 15 119.123 0.05 . 1 . . . . . . . . . 5879 1 1116 . 1 1 109 109 SER H H 1 7.870 0.02 . 1 . . . . . . . . . 5879 1 1117 . 1 1 109 109 SER CA C 13 61.096 0.05 . 1 . . . . . . . . . 5879 1 1118 . 1 1 109 109 SER HA H 1 4.252 0.02 . 1 . . . . . . . . . 5879 1 1119 . 1 1 109 109 SER CB C 13 63.391 0.05 . 1 . . . . . . . . . 5879 1 1120 . 1 1 109 109 SER HB3 H 1 3.970 0.02 . 1 . . . . . . . . . 5879 1 1121 . 1 1 109 109 SER HB2 H 1 3.970 0.02 . 1 . . . . . . . . . 5879 1 1122 . 1 1 109 109 SER C C 13 173.544 0.05 . 1 . . . . . . . . . 5879 1 1123 . 1 1 110 110 ARG N N 15 120.727 0.05 . 1 . . . . . . . . . 5879 1 1124 . 1 1 110 110 ARG H H 1 8.267 0.02 . 1 . . . . . . . . . 5879 1 1125 . 1 1 110 110 ARG CA C 13 58.872 0.05 . 1 . . . . . . . . . 5879 1 1126 . 1 1 110 110 ARG HA H 1 4.220 0.02 . 1 . . . . . . . . . 5879 1 1127 . 1 1 110 110 ARG CB C 13 30.751 0.05 . 1 . . . . . . . . . 5879 1 1128 . 1 1 110 110 ARG HB3 H 1 2.000 0.02 . 1 . . . . . . . . . 5879 1 1129 . 1 1 110 110 ARG HB2 H 1 2.000 0.02 . 1 . . . . . . . . . 5879 1 1130 . 1 1 110 110 ARG CG C 13 27.436 0.05 . 1 . . . . . . . . . 5879 1 1131 . 1 1 110 110 ARG HG3 H 1 1.747 0.02 . 2 . . . . . . . . . 5879 1 1132 . 1 1 110 110 ARG HG2 H 1 1.905 0.02 . 2 . . . . . . . . . 5879 1 1133 . 1 1 110 110 ARG CD C 13 43.348 0.05 . 1 . . . . . . . . . 5879 1 1134 . 1 1 110 110 ARG HD3 H 1 3.246 0.02 . 1 . . . . . . . . . 5879 1 1135 . 1 1 110 110 ARG HD2 H 1 3.246 0.02 . 1 . . . . . . . . . 5879 1 1136 . 1 1 110 110 ARG C C 13 171.688 0.05 . 1 . . . . . . . . . 5879 1 1137 . 1 1 111 111 SER N N 15 113.120 0.05 . 1 . . . . . . . . . 5879 1 1138 . 1 1 111 111 SER H H 1 8.080 0.02 . 1 . . . . . . . . . 5879 1 1139 . 1 1 111 111 SER CA C 13 59.426 0.05 . 1 . . . . . . . . . 5879 1 1140 . 1 1 111 111 SER HA H 1 4.700 0.02 . 1 . . . . . . . . . 5879 1 1141 . 1 1 111 111 SER CB C 13 64.864 0.05 . 1 . . . . . . . . . 5879 1 1142 . 1 1 111 111 SER HB3 H 1 3.935 0.02 . 2 . . . . . . . . . 5879 1 1143 . 1 1 111 111 SER HB2 H 1 4.032 0.02 . 2 . . . . . . . . . 5879 1 1144 . 1 1 111 111 SER C C 13 174.485 0.05 . 1 . . . . . . . . . 5879 1 1145 . 1 1 112 112 GLY N N 15 110.121 0.05 . 1 . . . . . . . . . 5879 1 1146 . 1 1 112 112 GLY H H 1 7.831 0.02 . 1 . . . . . . . . . 5879 1 1147 . 1 1 112 112 GLY CA C 13 46.471 0.05 . 1 . . . . . . . . . 5879 1 1148 . 1 1 112 112 GLY HA3 H 1 4.124 0.02 . 1 . . . . . . . . . 5879 1 1149 . 1 1 112 112 GLY HA2 H 1 4.124 0.02 . 1 . . . . . . . . . 5879 1 1150 . 1 1 112 112 GLY C C 13 175.378 0.05 . 1 . . . . . . . . . 5879 1 1151 . 1 1 113 113 GLY N N 15 110.737 0.05 . 1 . . . . . . . . . 5879 1 1152 . 1 1 113 113 GLY H H 1 8.691 0.02 . 1 . . . . . . . . . 5879 1 1153 . 1 1 113 113 GLY CA C 13 46.539 0.05 . 1 . . . . . . . . . 5879 1 1154 . 1 1 113 113 GLY HA3 H 1 4.010 0.02 . 1 . . . . . . . . . 5879 1 1155 . 1 1 113 113 GLY HA2 H 1 4.010 0.02 . 1 . . . . . . . . . 5879 1 1156 . 1 1 113 113 GLY C C 13 175.138 0.05 . 1 . . . . . . . . . 5879 1 1157 . 1 1 114 114 THR N N 15 112.834 0.05 . 1 . . . . . . . . . 5879 1 1158 . 1 1 114 114 THR H H 1 8.233 0.02 . 1 . . . . . . . . . 5879 1 1159 . 1 1 114 114 THR CA C 13 61.480 0.05 . 1 . . . . . . . . . 5879 1 1160 . 1 1 114 114 THR HA H 1 4.012 0.02 . 1 . . . . . . . . . 5879 1 1161 . 1 1 114 114 THR CB C 13 69.705 0.05 . 1 . . . . . . . . . 5879 1 1162 . 1 1 114 114 THR HB H 1 4.308 0.02 . 1 . . . . . . . . . 5879 1 1163 . 1 1 114 114 THR CG2 C 13 21.873 0.05 . 1 . . . . . . . . . 5879 1 1164 . 1 1 114 114 THR HG21 H 1 0.920 0.02 . 1 . . . . . . . . . 5879 1 1165 . 1 1 114 114 THR HG22 H 1 0.920 0.02 . 1 . . . . . . . . . 5879 1 1166 . 1 1 114 114 THR HG23 H 1 0.920 0.02 . 1 . . . . . . . . . 5879 1 1167 . 1 1 114 114 THR C C 13 175.759 0.05 . 1 . . . . . . . . . 5879 1 1168 . 1 1 115 115 SER N N 15 117.273 0.05 . 1 . . . . . . . . . 5879 1 1169 . 1 1 115 115 SER H H 1 8.971 0.02 . 1 . . . . . . . . . 5879 1 1170 . 1 1 115 115 SER CA C 13 57.095 0.05 . 1 . . . . . . . . . 5879 1 1171 . 1 1 115 115 SER HA H 1 4.610 0.02 . 1 . . . . . . . . . 5879 1 1172 . 1 1 115 115 SER CB C 13 63.286 0.05 . 1 . . . . . . . . . 5879 1 1173 . 1 1 115 115 SER HB3 H 1 3.826 0.02 . 2 . . . . . . . . . 5879 1 1174 . 1 1 115 115 SER HB2 H 1 3.630 0.02 . 2 . . . . . . . . . 5879 1 1175 . 1 1 115 115 SER C C 13 176.377 0.05 . 1 . . . . . . . . . 5879 1 1176 . 1 1 116 116 GLY N N 15 111.107 0.05 . 1 . . . . . . . . . 5879 1 1177 . 1 1 116 116 GLY H H 1 7.391 0.02 . 1 . . . . . . . . . 5879 1 1178 . 1 1 116 116 GLY CA C 13 45.945 0.05 . 1 . . . . . . . . . 5879 1 1179 . 1 1 116 116 GLY HA3 H 1 3.890 0.02 . 2 . . . . . . . . . 5879 1 1180 . 1 1 116 116 GLY HA2 H 1 4.299 0.02 . 2 . . . . . . . . . 5879 1 1181 . 1 1 116 116 GLY C C 13 178.725 0.05 . 1 . . . . . . . . . 5879 1 1182 . 1 1 117 117 ILE N N 15 123.563 0.05 . 1 . . . . . . . . . 5879 1 1183 . 1 1 117 117 ILE H H 1 7.680 0.02 . 1 . . . . . . . . . 5879 1 1184 . 1 1 117 117 ILE CA C 13 60.359 0.05 . 1 . . . . . . . . . 5879 1 1185 . 1 1 117 117 ILE HA H 1 4.950 0.02 . 1 . . . . . . . . . 5879 1 1186 . 1 1 117 117 ILE CB C 13 44.106 0.05 . 1 . . . . . . . . . 5879 1 1187 . 1 1 117 117 ILE HB H 1 1.405 0.02 . 1 . . . . . . . . . 5879 1 1188 . 1 1 117 117 ILE CG1 C 13 28.930 0.05 . 1 . . . . . . . . . 5879 1 1189 . 1 1 117 117 ILE HG13 H 1 1.913 0.02 . 1 . . . . . . . . . 5879 1 1190 . 1 1 117 117 ILE HG12 H 1 1.913 0.02 . 1 . . . . . . . . . 5879 1 1191 . 1 1 117 117 ILE CD1 C 13 14.550 0.05 . 1 . . . . . . . . . 5879 1 1192 . 1 1 117 117 ILE HD11 H 1 0.871 0.02 . 1 . . . . . . . . . 5879 1 1193 . 1 1 117 117 ILE HD12 H 1 0.871 0.02 . 1 . . . . . . . . . 5879 1 1194 . 1 1 117 117 ILE HD13 H 1 0.871 0.02 . 1 . . . . . . . . . 5879 1 1195 . 1 1 117 117 ILE CG2 C 13 16.594 0.05 . 1 . . . . . . . . . 5879 1 1196 . 1 1 117 117 ILE HG21 H 1 0.891 0.02 . 1 . . . . . . . . . 5879 1 1197 . 1 1 117 117 ILE HG22 H 1 0.891 0.02 . 1 . . . . . . . . . 5879 1 1198 . 1 1 117 117 ILE HG23 H 1 0.891 0.02 . 1 . . . . . . . . . 5879 1 1199 . 1 1 117 117 ILE C C 13 176.690 0.05 . 1 . . . . . . . . . 5879 1 1200 . 1 1 118 118 LYS N N 15 130.592 0.05 . 1 . . . . . . . . . 5879 1 1201 . 1 1 118 118 LYS H H 1 9.413 0.02 . 1 . . . . . . . . . 5879 1 1202 . 1 1 118 118 LYS CA C 13 54.156 0.05 . 1 . . . . . . . . . 5879 1 1203 . 1 1 118 118 LYS HA H 1 5.461 0.02 . 1 . . . . . . . . . 5879 1 1204 . 1 1 118 118 LYS CB C 13 35.293 0.05 . 1 . . . . . . . . . 5879 1 1205 . 1 1 118 118 LYS HB3 H 1 1.603 0.02 . 1 . . . . . . . . . 5879 1 1206 . 1 1 118 118 LYS HB2 H 1 1.603 0.02 . 1 . . . . . . . . . 5879 1 1207 . 1 1 118 118 LYS CG C 13 24.969 0.05 . 1 . . . . . . . . . 5879 1 1208 . 1 1 118 118 LYS HG3 H 1 0.994 0.02 . 1 . . . . . . . . . 5879 1 1209 . 1 1 118 118 LYS HG2 H 1 0.994 0.02 . 1 . . . . . . . . . 5879 1 1210 . 1 1 118 118 LYS CD C 13 29.874 0.05 . 1 . . . . . . . . . 5879 1 1211 . 1 1 118 118 LYS HD3 H 1 1.390 0.02 . 2 . . . . . . . . . 5879 1 1212 . 1 1 118 118 LYS HD2 H 1 1.450 0.02 . 2 . . . . . . . . . 5879 1 1213 . 1 1 118 118 LYS CE C 13 41.635 0.05 . 1 . . . . . . . . . 5879 1 1214 . 1 1 118 118 LYS HE3 H 1 2.698 0.02 . 2 . . . . . . . . . 5879 1 1215 . 1 1 118 118 LYS HE2 H 1 2.810 0.02 . 2 . . . . . . . . . 5879 1 1216 . 1 1 118 118 LYS C C 13 174.398 0.05 . 1 . . . . . . . . . 5879 1 1217 . 1 1 119 119 ILE N N 15 125.043 0.05 . 1 . . . . . . . . . 5879 1 1218 . 1 1 119 119 ILE H H 1 8.260 0.02 . 1 . . . . . . . . . 5879 1 1219 . 1 1 119 119 ILE CA C 13 60.669 0.05 . 1 . . . . . . . . . 5879 1 1220 . 1 1 119 119 ILE HA H 1 4.341 0.02 . 1 . . . . . . . . . 5879 1 1221 . 1 1 119 119 ILE CB C 13 38.758 0.05 . 1 . . . . . . . . . 5879 1 1222 . 1 1 119 119 ILE HB H 1 2.273 0.02 . 1 . . . . . . . . . 5879 1 1223 . 1 1 119 119 ILE CG1 C 13 26.665 0.05 . 1 . . . . . . . . . 5879 1 1224 . 1 1 119 119 ILE HG13 H 1 1.550 0.02 . 1 . . . . . . . . . 5879 1 1225 . 1 1 119 119 ILE HG12 H 1 1.550 0.02 . 1 . . . . . . . . . 5879 1 1226 . 1 1 119 119 ILE CD1 C 13 13.394 0.05 . 1 . . . . . . . . . 5879 1 1227 . 1 1 119 119 ILE HD11 H 1 0.952 0.02 . 1 . . . . . . . . . 5879 1 1228 . 1 1 119 119 ILE HD12 H 1 0.952 0.02 . 1 . . . . . . . . . 5879 1 1229 . 1 1 119 119 ILE HD13 H 1 0.952 0.02 . 1 . . . . . . . . . 5879 1 1230 . 1 1 119 119 ILE CG2 C 13 17.400 0.05 . 1 . . . . . . . . . 5879 1 1231 . 1 1 119 119 ILE HG21 H 1 0.821 0.02 . 1 . . . . . . . . . 5879 1 1232 . 1 1 119 119 ILE HG22 H 1 0.821 0.02 . 1 . . . . . . . . . 5879 1 1233 . 1 1 119 119 ILE HG23 H 1 0.821 0.02 . 1 . . . . . . . . . 5879 1 1234 . 1 1 119 119 ILE C C 13 174.022 0.05 . 1 . . . . . . . . . 5879 1 1235 . 1 1 120 120 ASN N N 15 128.206 0.05 . 1 . . . . . . . . . 5879 1 1236 . 1 1 120 120 ASN H H 1 9.335 0.02 . 1 . . . . . . . . . 5879 1 1237 . 1 1 120 120 ASN CA C 13 55.970 0.05 . 1 . . . . . . . . . 5879 1 1238 . 1 1 120 120 ASN HA H 1 4.337 0.02 . 1 . . . . . . . . . 5879 1 1239 . 1 1 120 120 ASN CB C 13 37.429 0.05 . 1 . . . . . . . . . 5879 1 1240 . 1 1 120 120 ASN HB3 H 1 2.960 0.02 . 2 . . . . . . . . . 5879 1 1241 . 1 1 120 120 ASN HB2 H 1 3.186 0.02 . 2 . . . . . . . . . 5879 1 1242 . 1 1 120 120 ASN C C 13 175.250 0.05 . 1 . . . . . . . . . 5879 1 1243 . 1 1 121 121 GLY N N 15 110.244 0.05 . 1 . . . . . . . . . 5879 1 1244 . 1 1 121 121 GLY H H 1 8.768 0.02 . 1 . . . . . . . . . 5879 1 1245 . 1 1 121 121 GLY CA C 13 45.733 0.05 . 1 . . . . . . . . . 5879 1 1246 . 1 1 121 121 GLY HA3 H 1 3.901 0.02 . 1 . . . . . . . . . 5879 1 1247 . 1 1 121 121 GLY HA2 H 1 3.901 0.02 . 1 . . . . . . . . . 5879 1 1248 . 1 1 121 121 GLY C C 13 176.539 0.05 . 1 . . . . . . . . . 5879 1 1249 . 1 1 122 122 ASN N N 15 121.960 0.05 . 1 . . . . . . . . . 5879 1 1250 . 1 1 122 122 ASN H H 1 8.132 0.02 . 1 . . . . . . . . . 5879 1 1251 . 1 1 122 122 ASN CA C 13 53.186 0.05 . 1 . . . . . . . . . 5879 1 1252 . 1 1 122 122 ASN HA H 1 4.561 0.02 . 1 . . . . . . . . . 5879 1 1253 . 1 1 122 122 ASN CB C 13 39.559 0.05 . 1 . . . . . . . . . 5879 1 1254 . 1 1 122 122 ASN HB3 H 1 3.230 0.02 . 2 . . . . . . . . . 5879 1 1255 . 1 1 122 122 ASN HB2 H 1 2.375 0.02 . 2 . . . . . . . . . 5879 1 1256 . 1 1 122 122 ASN C C 13 177.565 0.05 . 1 . . . . . . . . . 5879 1 1257 . 1 1 123 123 ASN N N 15 126.153 0.05 . 1 . . . . . . . . . 5879 1 1258 . 1 1 123 123 ASN H H 1 8.859 0.02 . 1 . . . . . . . . . 5879 1 1259 . 1 1 123 123 ASN CA C 13 52.919 0.05 . 1 . . . . . . . . . 5879 1 1260 . 1 1 123 123 ASN HA H 1 4.590 0.02 . 1 . . . . . . . . . 5879 1 1261 . 1 1 123 123 ASN CB C 13 39.569 0.05 . 1 . . . . . . . . . 5879 1 1262 . 1 1 123 123 ASN HB3 H 1 2.530 0.02 . 2 . . . . . . . . . 5879 1 1263 . 1 1 123 123 ASN HB2 H 1 2.834 0.02 . 2 . . . . . . . . . 5879 1 1264 . 1 1 123 123 ASN C C 13 175.663 0.05 . 1 . . . . . . . . . 5879 1 1265 . 1 1 124 124 HIS N N 15 127.509 0.05 . 1 . . . . . . . . . 5879 1 1266 . 1 1 124 124 HIS H H 1 8.661 0.02 . 1 . . . . . . . . . 5879 1 1267 . 1 1 124 124 HIS CA C 13 54.443 0.05 . 1 . . . . . . . . . 5879 1 1268 . 1 1 124 124 HIS HA H 1 4.950 0.02 . 1 . . . . . . . . . 5879 1 1269 . 1 1 124 124 HIS CB C 13 26.555 0.05 . 1 . . . . . . . . . 5879 1 1270 . 1 1 124 124 HIS HB3 H 1 2.905 0.02 . 2 . . . . . . . . . 5879 1 1271 . 1 1 124 124 HIS HB2 H 1 3.622 0.02 . 2 . . . . . . . . . 5879 1 1272 . 1 1 124 124 HIS C C 13 173.710 0.05 . 1 . . . . . . . . . 5879 1 1273 . 1 1 125 125 THR N N 15 122.946 0.05 . 1 . . . . . . . . . 5879 1 1274 . 1 1 125 125 THR H H 1 8.702 0.02 . 1 . . . . . . . . . 5879 1 1275 . 1 1 125 125 THR CA C 13 64.771 0.05 . 1 . . . . . . . . . 5879 1 1276 . 1 1 125 125 THR HA H 1 4.120 0.02 . 1 . . . . . . . . . 5879 1 1277 . 1 1 125 125 THR CB C 13 68.678 0.05 . 1 . . . . . . . . . 5879 1 1278 . 1 1 125 125 THR HB H 1 4.305 0.02 . 1 . . . . . . . . . 5879 1 1279 . 1 1 125 125 THR CG2 C 13 21.403 0.05 . 1 . . . . . . . . . 5879 1 1280 . 1 1 125 125 THR HG21 H 1 1.180 0.02 . 1 . . . . . . . . . 5879 1 1281 . 1 1 125 125 THR HG22 H 1 1.180 0.02 . 1 . . . . . . . . . 5879 1 1282 . 1 1 125 125 THR HG23 H 1 1.180 0.02 . 1 . . . . . . . . . 5879 1 1283 . 1 1 125 125 THR C C 13 176.647 0.05 . 1 . . . . . . . . . 5879 1 1284 . 1 1 126 126 ASP N N 15 120.110 0.05 . 1 . . . . . . . . . 5879 1 1285 . 1 1 126 126 ASP H H 1 8.043 0.02 . 1 . . . . . . . . . 5879 1 1286 . 1 1 126 126 ASP CA C 13 52.919 0.05 . 1 . . . . . . . . . 5879 1 1287 . 1 1 126 126 ASP HA H 1 4.500 0.02 . 1 . . . . . . . . . 5879 1 1288 . 1 1 126 126 ASP CB C 13 40.100 0.05 . 1 . . . . . . . . . 5879 1 1289 . 1 1 126 126 ASP HB3 H 1 2.666 0.02 . 2 . . . . . . . . . 5879 1 1290 . 1 1 126 126 ASP HB2 H 1 2.950 0.02 . 2 . . . . . . . . . 5879 1 1291 . 1 1 126 126 ASP C C 13 174.306 0.05 . 1 . . . . . . . . . 5879 1 1292 . 1 1 127 127 ALA N N 15 119.247 0.05 . 1 . . . . . . . . . 5879 1 1293 . 1 1 127 127 ALA H H 1 8.092 0.02 . 1 . . . . . . . . . 5879 1 1294 . 1 1 127 127 ALA CA C 13 53.105 0.05 . 1 . . . . . . . . . 5879 1 1295 . 1 1 127 127 ALA HA H 1 3.640 0.02 . 1 . . . . . . . . . 5879 1 1296 . 1 1 127 127 ALA CB C 13 18.177 0.05 . 1 . . . . . . . . . 5879 1 1297 . 1 1 127 127 ALA HB1 H 1 1.322 0.02 . 1 . . . . . . . . . 5879 1 1298 . 1 1 127 127 ALA HB2 H 1 1.322 0.02 . 1 . . . . . . . . . 5879 1 1299 . 1 1 127 127 ALA HB3 H 1 1.322 0.02 . 1 . . . . . . . . . 5879 1 1300 . 1 1 127 127 ALA C C 13 175.027 0.05 . 1 . . . . . . . . . 5879 1 1301 . 1 1 128 128 LYS N N 15 123.440 0.05 . 1 . . . . . . . . . 5879 1 1302 . 1 1 128 128 LYS H H 1 7.998 0.02 . 1 . . . . . . . . . 5879 1 1303 . 1 1 128 128 LYS CA C 13 55.923 0.05 . 1 . . . . . . . . . 5879 1 1304 . 1 1 128 128 LYS HA H 1 4.122 0.02 . 1 . . . . . . . . . 5879 1 1305 . 1 1 128 128 LYS CB C 13 31.925 0.05 . 1 . . . . . . . . . 5879 1 1306 . 1 1 128 128 LYS HB3 H 1 1.620 0.02 . 2 . . . . . . . . . 5879 1 1307 . 1 1 128 128 LYS HB2 H 1 1.740 0.02 . 2 . . . . . . . . . 5879 1 1308 . 1 1 128 128 LYS CG C 13 24.441 0.05 . 1 . . . . . . . . . 5879 1 1309 . 1 1 128 128 LYS HG3 H 1 1.300 0.02 . 2 . . . . . . . . . 5879 1 1310 . 1 1 128 128 LYS HG2 H 1 1.170 0.02 . 2 . . . . . . . . . 5879 1 1311 . 1 1 128 128 LYS CD C 13 28.853 0.05 . 1 . . . . . . . . . 5879 1 1312 . 1 1 128 128 LYS HD3 H 1 1.624 0.02 . 1 . . . . . . . . . 5879 1 1313 . 1 1 128 128 LYS HD2 H 1 1.624 0.02 . 1 . . . . . . . . . 5879 1 1314 . 1 1 128 128 LYS CE C 13 42.131 0.05 . 1 . . . . . . . . . 5879 1 1315 . 1 1 128 128 LYS HE3 H 1 2.952 0.02 . 1 . . . . . . . . . 5879 1 1316 . 1 1 128 128 LYS HE2 H 1 2.952 0.02 . 1 . . . . . . . . . 5879 1 1317 . 1 1 128 128 LYS C C 13 175.863 0.05 . 1 . . . . . . . . . 5879 1 1318 . 1 1 129 129 VAL N N 15 126.399 0.05 . 1 . . . . . . . . . 5879 1 1319 . 1 1 129 129 VAL H H 1 8.021 0.02 . 1 . . . . . . . . . 5879 1 1320 . 1 1 129 129 VAL CA C 13 62.266 0.05 . 1 . . . . . . . . . 5879 1 1321 . 1 1 129 129 VAL HA H 1 3.690 0.02 . 1 . . . . . . . . . 5879 1 1322 . 1 1 129 129 VAL CB C 13 33.781 0.05 . 1 . . . . . . . . . 5879 1 1323 . 1 1 129 129 VAL HB H 1 1.732 0.02 . 1 . . . . . . . . . 5879 1 1324 . 1 1 129 129 VAL CG2 C 13 20.604 0.05 . 1 . . . . . . . . . 5879 1 1325 . 1 1 129 129 VAL HG21 H 1 0.400 0.02 . 1 . . . . . . . . . 5879 1 1326 . 1 1 129 129 VAL HG22 H 1 0.400 0.02 . 1 . . . . . . . . . 5879 1 1327 . 1 1 129 129 VAL HG23 H 1 0.400 0.02 . 1 . . . . . . . . . 5879 1 1328 . 1 1 129 129 VAL CG1 C 13 21.773 0.05 . 1 . . . . . . . . . 5879 1 1329 . 1 1 129 129 VAL HG11 H 1 0.656 0.02 . 1 . . . . . . . . . 5879 1 1330 . 1 1 129 129 VAL HG12 H 1 0.656 0.02 . 1 . . . . . . . . . 5879 1 1331 . 1 1 129 129 VAL HG13 H 1 0.656 0.02 . 1 . . . . . . . . . 5879 1 1332 . 1 1 129 129 VAL C C 13 175.841 0.05 . 1 . . . . . . . . . 5879 1 1333 . 1 1 130 130 THR N N 15 117.643 0.05 . 1 . . . . . . . . . 5879 1 1334 . 1 1 130 130 THR H H 1 6.454 0.02 . 1 . . . . . . . . . 5879 1 1335 . 1 1 130 130 THR CA C 13 59.228 0.05 . 1 . . . . . . . . . 5879 1 1336 . 1 1 130 130 THR HA H 1 4.560 0.02 . 1 . . . . . . . . . 5879 1 1337 . 1 1 130 130 THR CB C 13 71.559 0.05 . 1 . . . . . . . . . 5879 1 1338 . 1 1 130 130 THR HB H 1 4.760 0.02 . 1 . . . . . . . . . 5879 1 1339 . 1 1 130 130 THR CG2 C 13 21.816 0.05 . 1 . . . . . . . . . 5879 1 1340 . 1 1 130 130 THR HG21 H 1 1.230 0.02 . 1 . . . . . . . . . 5879 1 1341 . 1 1 130 130 THR HG22 H 1 1.230 0.02 . 1 . . . . . . . . . 5879 1 1342 . 1 1 130 130 THR HG23 H 1 1.230 0.02 . 1 . . . . . . . . . 5879 1 1343 . 1 1 130 130 THR C C 13 175.298 0.05 . 1 . . . . . . . . . 5879 1 1344 . 1 1 131 131 ALA N N 15 126.646 0.05 . 1 . . . . . . . . . 5879 1 1345 . 1 1 131 131 ALA H H 1 9.279 0.02 . 1 . . . . . . . . . 5879 1 1346 . 1 1 131 131 ALA CA C 13 56.059 0.05 . 1 . . . . . . . . . 5879 1 1347 . 1 1 131 131 ALA HA H 1 3.840 0.02 . 1 . . . . . . . . . 5879 1 1348 . 1 1 131 131 ALA CB C 13 17.333 0.05 . 1 . . . . . . . . . 5879 1 1349 . 1 1 131 131 ALA HB1 H 1 1.435 0.02 . 1 . . . . . . . . . 5879 1 1350 . 1 1 131 131 ALA HB2 H 1 1.435 0.02 . 1 . . . . . . . . . 5879 1 1351 . 1 1 131 131 ALA HB3 H 1 1.435 0.02 . 1 . . . . . . . . . 5879 1 1352 . 1 1 131 131 ALA C C 13 170.169 0.05 . 1 . . . . . . . . . 5879 1 1353 . 1 1 132 132 GLU N N 15 120.973 0.05 . 1 . . . . . . . . . 5879 1 1354 . 1 1 132 132 GLU H H 1 8.690 0.02 . 1 . . . . . . . . . 5879 1 1355 . 1 1 132 132 GLU CA C 13 60.005 0.05 . 1 . . . . . . . . . 5879 1 1356 . 1 1 132 132 GLU HA H 1 3.957 0.02 . 1 . . . . . . . . . 5879 1 1357 . 1 1 132 132 GLU CB C 13 29.010 0.05 . 1 . . . . . . . . . 5879 1 1358 . 1 1 132 132 GLU HB3 H 1 1.916 0.02 . 2 . . . . . . . . . 5879 1 1359 . 1 1 132 132 GLU HB2 H 1 2.051 0.02 . 2 . . . . . . . . . 5879 1 1360 . 1 1 132 132 GLU CG C 13 36.549 0.05 . 1 . . . . . . . . . 5879 1 1361 . 1 1 132 132 GLU HG3 H 1 2.260 0.02 . 2 . . . . . . . . . 5879 1 1362 . 1 1 132 132 GLU HG2 H 1 2.309 0.02 . 2 . . . . . . . . . 5879 1 1363 . 1 1 132 132 GLU C C 13 171.043 0.05 . 1 . . . . . . . . . 5879 1 1364 . 1 1 133 133 ILE N N 15 123.563 0.05 . 1 . . . . . . . . . 5879 1 1365 . 1 1 133 133 ILE H H 1 7.365 0.02 . 1 . . . . . . . . . 5879 1 1366 . 1 1 133 133 ILE CA C 13 64.079 0.05 . 1 . . . . . . . . . 5879 1 1367 . 1 1 133 133 ILE HA H 1 3.777 0.02 . 1 . . . . . . . . . 5879 1 1368 . 1 1 133 133 ILE CB C 13 38.437 0.05 . 1 . . . . . . . . . 5879 1 1369 . 1 1 133 133 ILE HB H 1 1.635 0.02 . 1 . . . . . . . . . 5879 1 1370 . 1 1 133 133 ILE CG1 C 13 28.830 0.05 . 1 . . . . . . . . . 5879 1 1371 . 1 1 133 133 ILE HG13 H 1 1.200 0.02 . 1 . . . . . . . . . 5879 1 1372 . 1 1 133 133 ILE HG12 H 1 1.200 0.02 . 1 . . . . . . . . . 5879 1 1373 . 1 1 133 133 ILE CD1 C 13 13.127 0.05 . 1 . . . . . . . . . 5879 1 1374 . 1 1 133 133 ILE HD11 H 1 0.927 0.02 . 1 . . . . . . . . . 5879 1 1375 . 1 1 133 133 ILE HD12 H 1 0.927 0.02 . 1 . . . . . . . . . 5879 1 1376 . 1 1 133 133 ILE HD13 H 1 0.927 0.02 . 1 . . . . . . . . . 5879 1 1377 . 1 1 133 133 ILE CG2 C 13 17.350 0.05 . 1 . . . . . . . . . 5879 1 1378 . 1 1 133 133 ILE HG21 H 1 0.712 0.02 . 1 . . . . . . . . . 5879 1 1379 . 1 1 133 133 ILE HG22 H 1 0.712 0.02 . 1 . . . . . . . . . 5879 1 1380 . 1 1 133 133 ILE HG23 H 1 0.712 0.02 . 1 . . . . . . . . . 5879 1 1381 . 1 1 133 133 ILE C C 13 171.946 0.05 . 1 . . . . . . . . . 5879 1 1382 . 1 1 134 134 ALA N N 15 124.180 0.05 . 1 . . . . . . . . . 5879 1 1383 . 1 1 134 134 ALA H H 1 8.590 0.02 . 1 . . . . . . . . . 5879 1 1384 . 1 1 134 134 ALA CA C 13 55.254 0.05 . 1 . . . . . . . . . 5879 1 1385 . 1 1 134 134 ALA HA H 1 3.825 0.02 . 1 . . . . . . . . . 5879 1 1386 . 1 1 134 134 ALA CB C 13 19.344 0.05 . 1 . . . . . . . . . 5879 1 1387 . 1 1 134 134 ALA HB1 H 1 1.420 0.02 . 1 . . . . . . . . . 5879 1 1388 . 1 1 134 134 ALA HB2 H 1 1.420 0.02 . 1 . . . . . . . . . 5879 1 1389 . 1 1 134 134 ALA HB3 H 1 1.420 0.02 . 1 . . . . . . . . . 5879 1 1390 . 1 1 134 134 ALA C C 13 171.033 0.05 . 1 . . . . . . . . . 5879 1 1391 . 1 1 135 135 SER N N 15 114.190 0.05 . 1 . . . . . . . . . 5879 1 1392 . 1 1 135 135 SER H H 1 8.508 0.02 . 1 . . . . . . . . . 5879 1 1393 . 1 1 135 135 SER CA C 13 61.988 0.05 . 1 . . . . . . . . . 5879 1 1394 . 1 1 135 135 SER HA H 1 4.025 0.02 . 1 . . . . . . . . . 5879 1 1395 . 1 1 135 135 SER CB C 13 63.067 0.05 . 1 . . . . . . . . . 5879 1 1396 . 1 1 135 135 SER HB3 H 1 3.895 0.02 . 2 . . . . . . . . . 5879 1 1397 . 1 1 135 135 SER HB2 H 1 3.987 0.02 . 2 . . . . . . . . . 5879 1 1398 . 1 1 135 135 SER C C 13 175.272 0.05 . 1 . . . . . . . . . 5879 1 1399 . 1 1 136 136 SER N N 15 116.040 0.05 . 1 . . . . . . . . . 5879 1 1400 . 1 1 136 136 SER H H 1 7.292 0.02 . 1 . . . . . . . . . 5879 1 1401 . 1 1 136 136 SER CA C 13 59.899 0.05 . 1 . . . . . . . . . 5879 1 1402 . 1 1 136 136 SER HA H 1 4.480 0.02 . 1 . . . . . . . . . 5879 1 1403 . 1 1 136 136 SER CB C 13 63.912 0.05 . 1 . . . . . . . . . 5879 1 1404 . 1 1 136 136 SER HB3 H 1 3.980 0.02 . 2 . . . . . . . . . 5879 1 1405 . 1 1 136 136 SER HB2 H 1 4.040 0.02 . 2 . . . . . . . . . 5879 1 1406 . 1 1 136 136 SER C C 13 174.911 0.05 . 1 . . . . . . . . . 5879 1 1407 . 1 1 137 137 GLU N N 15 122.083 0.05 . 1 . . . . . . . . . 5879 1 1408 . 1 1 137 137 GLU H H 1 7.728 0.02 . 1 . . . . . . . . . 5879 1 1409 . 1 1 137 137 GLU CA C 13 57.923 0.05 . 1 . . . . . . . . . 5879 1 1410 . 1 1 137 137 GLU HA H 1 4.270 0.02 . 1 . . . . . . . . . 5879 1 1411 . 1 1 137 137 GLU CB C 13 32.180 0.05 . 1 . . . . . . . . . 5879 1 1412 . 1 1 137 137 GLU HB3 H 1 2.473 0.02 . 2 . . . . . . . . . 5879 1 1413 . 1 1 137 137 GLU HB2 H 1 2.607 0.02 . 2 . . . . . . . . . 5879 1 1414 . 1 1 137 137 GLU CG C 13 36.750 0.05 . 1 . . . . . . . . . 5879 1 1415 . 1 1 137 137 GLU HG3 H 1 2.144 0.02 . 2 . . . . . . . . . 5879 1 1416 . 1 1 137 137 GLU C C 13 172.913 0.05 . 1 . . . . . . . . . 5879 1 1417 . 1 1 138 138 CYS N N 15 121.710 0.05 . 1 . . . . . . . . . 5879 1 1418 . 1 1 138 138 CYS H H 1 8.299 0.02 . 1 . . . . . . . . . 5879 1 1419 . 1 1 138 138 CYS CA C 13 56.138 0.05 . 1 . . . . . . . . . 5879 1 1420 . 1 1 138 138 CYS HA H 1 4.622 0.02 . 1 . . . . . . . . . 5879 1 1421 . 1 1 138 138 CYS CB C 13 40.990 0.05 . 1 . . . . . . . . . 5879 1 1422 . 1 1 138 138 CYS HB3 H 1 2.695 0.02 . 2 . . . . . . . . . 5879 1 1423 . 1 1 138 138 CYS HB2 H 1 3.187 0.02 . 2 . . . . . . . . . 5879 1 1424 . 1 1 138 138 CYS C C 13 174.911 0.05 . 1 . . . . . . . . . 5879 1 1425 . 1 1 139 139 THR N N 15 124.076 0.05 . 1 . . . . . . . . . 5879 1 1426 . 1 1 139 139 THR H H 1 10.399 0.02 . 1 . . . . . . . . . 5879 1 1427 . 1 1 139 139 THR CA C 13 61.300 0.05 . 1 . . . . . . . . . 5879 1 1428 . 1 1 139 139 THR HA H 1 4.169 0.02 . 1 . . . . . . . . . 5879 1 1429 . 1 1 139 139 THR CB C 13 70.506 0.05 . 1 . . . . . . . . . 5879 1 1430 . 1 1 139 139 THR HB H 1 4.311 0.02 . 1 . . . . . . . . . 5879 1 1431 . 1 1 139 139 THR CG2 C 13 22.070 0.05 . 1 . . . . . . . . . 5879 1 1432 . 1 1 139 139 THR HG21 H 1 1.200 0.02 . 1 . . . . . . . . . 5879 1 1433 . 1 1 139 139 THR HG22 H 1 1.200 0.02 . 1 . . . . . . . . . 5879 1 1434 . 1 1 139 139 THR HG23 H 1 1.200 0.02 . 1 . . . . . . . . . 5879 1 1435 . 1 1 139 139 THR C C 13 173.882 0.05 . 1 . . . . . . . . . 5879 1 1436 . 1 1 140 140 ALA N N 15 126.276 0.05 . 1 . . . . . . . . . 5879 1 1437 . 1 1 140 140 ALA H H 1 8.545 0.02 . 1 . . . . . . . . . 5879 1 1438 . 1 1 140 140 ALA CA C 13 52.385 0.05 . 1 . . . . . . . . . 5879 1 1439 . 1 1 140 140 ALA HA H 1 3.942 0.02 . 1 . . . . . . . . . 5879 1 1440 . 1 1 140 140 ALA CB C 13 19.482 0.05 . 1 . . . . . . . . . 5879 1 1441 . 1 1 140 140 ALA HB1 H 1 1.478 0.02 . 1 . . . . . . . . . 5879 1 1442 . 1 1 140 140 ALA HB2 H 1 1.478 0.02 . 1 . . . . . . . . . 5879 1 1443 . 1 1 140 140 ALA HB3 H 1 1.478 0.02 . 1 . . . . . . . . . 5879 1 1444 . 1 1 140 140 ALA C C 13 172.623 0.05 . 1 . . . . . . . . . 5879 1 1445 . 1 1 141 141 ASP N N 15 126.029 0.05 . 1 . . . . . . . . . 5879 1 1446 . 1 1 141 141 ASP H H 1 8.783 0.02 . 1 . . . . . . . . . 5879 1 1447 . 1 1 141 141 ASP CA C 13 54.453 0.05 . 1 . . . . . . . . . 5879 1 1448 . 1 1 141 141 ASP HA H 1 4.618 0.02 . 1 . . . . . . . . . 5879 1 1449 . 1 1 141 141 ASP CB C 13 41.168 0.05 . 1 . . . . . . . . . 5879 1 1450 . 1 1 141 141 ASP HB3 H 1 2.570 0.02 . 2 . . . . . . . . . 5879 1 1451 . 1 1 141 141 ASP HB2 H 1 2.660 0.02 . 2 . . . . . . . . . 5879 1 1452 . 1 1 141 141 ASP C C 13 174.874 0.05 . 1 . . . . . . . . . 5879 1 1453 . 1 1 142 142 ASN N N 15 123.316 0.05 . 1 . . . . . . . . . 5879 1 1454 . 1 1 142 142 ASN H H 1 8.737 0.02 . 1 . . . . . . . . . 5879 1 1455 . 1 1 142 142 ASN CA C 13 51.317 0.05 . 1 . . . . . . . . . 5879 1 1456 . 1 1 142 142 ASN HA H 1 4.966 0.02 . 1 . . . . . . . . . 5879 1 1457 . 1 1 142 142 ASN CB C 13 38.231 0.05 . 1 . . . . . . . . . 5879 1 1458 . 1 1 142 142 ASN HB3 H 1 2.550 0.02 . 2 . . . . . . . . . 5879 1 1459 . 1 1 142 142 ASN HB2 H 1 2.792 0.02 . 2 . . . . . . . . . 5879 1 1460 . 1 1 142 142 ASN C C 13 174.482 0.05 . 1 . . . . . . . . . 5879 1 1461 . 1 1 143 143 GLY N N 15 117.273 0.05 . 1 . . . . . . . . . 5879 1 1462 . 1 1 143 143 GLY H H 1 8.658 0.02 . 1 . . . . . . . . . 5879 1 1463 . 1 1 143 143 GLY CA C 13 47.174 0.05 . 1 . . . . . . . . . 5879 1 1464 . 1 1 143 143 GLY HA3 H 1 3.650 0.02 . 2 . . . . . . . . . 5879 1 1465 . 1 1 143 143 GLY HA2 H 1 4.050 0.02 . 2 . . . . . . . . . 5879 1 1466 . 1 1 143 143 GLY C C 13 175.519 0.05 . 1 . . . . . . . . . 5879 1 1467 . 1 1 144 144 ARG N N 15 128.743 0.05 . 1 . . . . . . . . . 5879 1 1468 . 1 1 144 144 ARG H H 1 8.788 0.02 . 1 . . . . . . . . . 5879 1 1469 . 1 1 144 144 ARG CA C 13 55.790 0.05 . 1 . . . . . . . . . 5879 1 1470 . 1 1 144 144 ARG HA H 1 4.300 0.02 . 1 . . . . . . . . . 5879 1 1471 . 1 1 144 144 ARG CB C 13 30.086 0.05 . 1 . . . . . . . . . 5879 1 1472 . 1 1 144 144 ARG HB3 H 1 1.700 0.02 . 2 . . . . . . . . . 5879 1 1473 . 1 1 144 144 ARG HB2 H 1 1.930 0.02 . 2 . . . . . . . . . 5879 1 1474 . 1 1 144 144 ARG CG C 13 27.080 0.05 . 1 . . . . . . . . . 5879 1 1475 . 1 1 144 144 ARG HG3 H 1 1.480 0.02 . 2 . . . . . . . . . 5879 1 1476 . 1 1 144 144 ARG HG2 H 1 1.570 0.02 . 2 . . . . . . . . . 5879 1 1477 . 1 1 144 144 ARG CD C 13 43.205 0.05 . 1 . . . . . . . . . 5879 1 1478 . 1 1 144 144 ARG HD3 H 1 3.025 0.02 . 1 . . . . . . . . . 5879 1 1479 . 1 1 144 144 ARG HD2 H 1 3.025 0.02 . 1 . . . . . . . . . 5879 1 1480 . 1 1 144 144 ARG C C 13 174.640 0.05 . 1 . . . . . . . . . 5879 1 1481 . 1 1 145 145 THR N N 15 119.493 0.05 . 1 . . . . . . . . . 5879 1 1482 . 1 1 145 145 THR H H 1 7.952 0.02 . 1 . . . . . . . . . 5879 1 1483 . 1 1 145 145 THR CA C 13 62.800 0.05 . 1 . . . . . . . . . 5879 1 1484 . 1 1 145 145 THR HA H 1 4.310 0.02 . 1 . . . . . . . . . 5879 1 1485 . 1 1 145 145 THR CB C 13 70.278 0.05 . 1 . . . . . . . . . 5879 1 1486 . 1 1 145 145 THR HB H 1 4.278 0.02 . 1 . . . . . . . . . 5879 1 1487 . 1 1 145 145 THR CG2 C 13 21.940 0.05 . 1 . . . . . . . . . 5879 1 1488 . 1 1 145 145 THR HG21 H 1 1.405 0.02 . 1 . . . . . . . . . 5879 1 1489 . 1 1 145 145 THR HG22 H 1 1.405 0.02 . 1 . . . . . . . . . 5879 1 1490 . 1 1 145 145 THR HG23 H 1 1.405 0.02 . 1 . . . . . . . . . 5879 1 1491 . 1 1 145 145 THR C C 13 176.729 0.05 . 1 . . . . . . . . . 5879 1 1492 . 1 1 146 146 GLY N N 15 117.148 0.05 . 1 . . . . . . . . . 5879 1 1493 . 1 1 146 146 GLY H H 1 9.488 0.02 . 1 . . . . . . . . . 5879 1 1494 . 1 1 146 146 GLY CA C 13 43.611 0.05 . 1 . . . . . . . . . 5879 1 1495 . 1 1 146 146 GLY HA3 H 1 4.040 0.02 . 2 . . . . . . . . . 5879 1 1496 . 1 1 146 146 GLY HA2 H 1 4.570 0.02 . 2 . . . . . . . . . 5879 1 1497 . 1 1 146 146 GLY C C 13 176.006 0.05 . 1 . . . . . . . . . 5879 1 1498 . 1 1 147 147 THR N N 15 112.217 0.05 . 1 . . . . . . . . . 5879 1 1499 . 1 1 147 147 THR H H 1 9.599 0.02 . 1 . . . . . . . . . 5879 1 1500 . 1 1 147 147 THR CA C 13 60.397 0.05 . 1 . . . . . . . . . 5879 1 1501 . 1 1 147 147 THR HA H 1 4.403 0.02 . 1 . . . . . . . . . 5879 1 1502 . 1 1 147 147 THR CB C 13 70.545 0.05 . 1 . . . . . . . . . 5879 1 1503 . 1 1 147 147 THR HB H 1 4.606 0.02 . 1 . . . . . . . . . 5879 1 1504 . 1 1 147 147 THR CG2 C 13 21.147 0.05 . 1 . . . . . . . . . 5879 1 1505 . 1 1 147 147 THR HG21 H 1 1.221 0.02 . 1 . . . . . . . . . 5879 1 1506 . 1 1 147 147 THR HG22 H 1 1.221 0.02 . 1 . . . . . . . . . 5879 1 1507 . 1 1 147 147 THR HG23 H 1 1.221 0.02 . 1 . . . . . . . . . 5879 1 1508 . 1 1 147 147 THR C C 13 175.522 0.05 . 1 . . . . . . . . . 5879 1 1509 . 1 1 148 148 ASN N N 15 120.973 0.05 . 1 . . . . . . . . . 5879 1 1510 . 1 1 148 148 ASN H H 1 7.852 0.02 . 1 . . . . . . . . . 5879 1 1511 . 1 1 148 148 ASN CA C 13 54.518 0.05 . 1 . . . . . . . . . 5879 1 1512 . 1 1 148 148 ASN HA H 1 5.567 0.02 . 1 . . . . . . . . . 5879 1 1513 . 1 1 148 148 ASN CB C 13 41.504 0.05 . 1 . . . . . . . . . 5879 1 1514 . 1 1 148 148 ASN HB3 H 1 2.061 0.02 . 2 . . . . . . . . . 5879 1 1515 . 1 1 148 148 ASN HB2 H 1 3.092 0.02 . 2 . . . . . . . . . 5879 1 1516 . 1 1 148 148 ASN C C 13 175.783 0.05 . 1 . . . . . . . . . 5879 1 1517 . 1 1 149 149 THR N N 15 120.850 0.05 . 1 . . . . . . . . . 5879 1 1518 . 1 1 149 149 THR H H 1 8.789 0.02 . 1 . . . . . . . . . 5879 1 1519 . 1 1 149 149 THR CA C 13 62.016 0.05 . 1 . . . . . . . . . 5879 1 1520 . 1 1 149 149 THR HA H 1 4.903 0.02 . 1 . . . . . . . . . 5879 1 1521 . 1 1 149 149 THR CB C 13 70.258 0.05 . 1 . . . . . . . . . 5879 1 1522 . 1 1 149 149 THR HB H 1 3.953 0.02 . 1 . . . . . . . . . 5879 1 1523 . 1 1 149 149 THR CG2 C 13 21.775 0.05 . 1 . . . . . . . . . 5879 1 1524 . 1 1 149 149 THR HG21 H 1 1.010 0.02 . 1 . . . . . . . . . 5879 1 1525 . 1 1 149 149 THR HG22 H 1 1.010 0.02 . 1 . . . . . . . . . 5879 1 1526 . 1 1 149 149 THR HG23 H 1 1.010 0.02 . 1 . . . . . . . . . 5879 1 1527 . 1 1 149 149 THR C C 13 176.708 0.05 . 1 . . . . . . . . . 5879 1 1528 . 1 1 150 150 LEU N N 15 130.592 0.05 . 1 . . . . . . . . . 5879 1 1529 . 1 1 150 150 LEU H H 1 8.656 0.02 . 1 . . . . . . . . . 5879 1 1530 . 1 1 150 150 LEU CA C 13 53.186 0.05 . 1 . . . . . . . . . 5879 1 1531 . 1 1 150 150 LEU HA H 1 5.247 0.02 . 1 . . . . . . . . . 5879 1 1532 . 1 1 150 150 LEU CB C 13 44.540 0.05 . 1 . . . . . . . . . 5879 1 1533 . 1 1 150 150 LEU HB3 H 1 0.978 0.02 . 2 . . . . . . . . . 5879 1 1534 . 1 1 150 150 LEU HB2 H 1 1.405 0.02 . 2 . . . . . . . . . 5879 1 1535 . 1 1 150 150 LEU CG C 13 28.500 0.05 . 1 . . . . . . . . . 5879 1 1536 . 1 1 150 150 LEU HG H 1 1.560 0.02 . 1 . . . . . . . . . 5879 1 1537 . 1 1 150 150 LEU CD1 C 13 26.300 0.05 . 1 . . . . . . . . . 5879 1 1538 . 1 1 150 150 LEU HD11 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 1539 . 1 1 150 150 LEU HD12 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 1540 . 1 1 150 150 LEU HD13 H 1 0.950 0.02 . 1 . . . . . . . . . 5879 1 1541 . 1 1 150 150 LEU CD2 C 13 26.500 0.05 . 1 . . . . . . . . . 5879 1 1542 . 1 1 150 150 LEU HD21 H 1 1.060 0.02 . 1 . . . . . . . . . 5879 1 1543 . 1 1 150 150 LEU HD22 H 1 1.060 0.02 . 1 . . . . . . . . . 5879 1 1544 . 1 1 150 150 LEU HD23 H 1 1.060 0.02 . 1 . . . . . . . . . 5879 1 1545 . 1 1 150 150 LEU C C 13 176.049 0.05 . 1 . . . . . . . . . 5879 1 1546 . 1 1 151 151 VAL N N 15 121.960 0.05 . 1 . . . . . . . . . 5879 1 1547 . 1 1 151 151 VAL H H 1 8.265 0.02 . 1 . . . . . . . . . 5879 1 1548 . 1 1 151 151 VAL CA C 13 60.211 0.05 . 1 . . . . . . . . . 5879 1 1549 . 1 1 151 151 VAL HA H 1 4.677 0.02 . 1 . . . . . . . . . 5879 1 1550 . 1 1 151 151 VAL CB C 13 34.532 0.05 . 1 . . . . . . . . . 5879 1 1551 . 1 1 151 151 VAL HB H 1 1.710 0.02 . 1 . . . . . . . . . 5879 1 1552 . 1 1 151 151 VAL CG2 C 13 20.550 0.05 . 1 . . . . . . . . . 5879 1 1553 . 1 1 151 151 VAL HG21 H 1 0.840 0.02 . 1 . . . . . . . . . 5879 1 1554 . 1 1 151 151 VAL HG22 H 1 0.840 0.02 . 1 . . . . . . . . . 5879 1 1555 . 1 1 151 151 VAL HG23 H 1 0.840 0.02 . 1 . . . . . . . . . 5879 1 1556 . 1 1 151 151 VAL CG1 C 13 20.620 0.05 . 1 . . . . . . . . . 5879 1 1557 . 1 1 151 151 VAL HG11 H 1 0.740 0.02 . 1 . . . . . . . . . 5879 1 1558 . 1 1 151 151 VAL HG12 H 1 0.740 0.02 . 1 . . . . . . . . . 5879 1 1559 . 1 1 151 151 VAL HG13 H 1 0.740 0.02 . 1 . . . . . . . . . 5879 1 1560 . 1 1 151 151 VAL C C 13 175.585 0.05 . 1 . . . . . . . . . 5879 1 1561 . 1 1 152 152 PHE N N 15 129.606 0.05 . 1 . . . . . . . . . 5879 1 1562 . 1 1 152 152 PHE H H 1 9.185 0.02 . 1 . . . . . . . . . 5879 1 1563 . 1 1 152 152 PHE CA C 13 54.254 0.05 . 1 . . . . . . . . . 5879 1 1564 . 1 1 152 152 PHE HA H 1 5.248 0.02 . 1 . . . . . . . . . 5879 1 1565 . 1 1 152 152 PHE CB C 13 41.168 0.05 . 1 . . . . . . . . . 5879 1 1566 . 1 1 152 152 PHE HB3 H 1 3.084 0.02 . 1 . . . . . . . . . 5879 1 1567 . 1 1 152 152 PHE HB2 H 1 3.084 0.02 . 1 . . . . . . . . . 5879 1 1568 . 1 1 152 152 PHE HD1 H 1 7.121 0.02 . 3 . . . . . . . . . 5879 1 1569 . 1 1 152 152 PHE C C 13 176.412 0.05 . 1 . . . . . . . . . 5879 1 1570 . 1 1 153 153 ASN N N 15 125.906 0.05 . 1 . . . . . . . . . 5879 1 1571 . 1 1 153 153 ASN H H 1 8.592 0.02 . 1 . . . . . . . . . 5879 1 1572 . 1 1 153 153 ASN CA C 13 52.916 0.05 . 1 . . . . . . . . . 5879 1 1573 . 1 1 153 153 ASN HA H 1 4.822 0.02 . 1 . . . . . . . . . 5879 1 1574 . 1 1 153 153 ASN CB C 13 40.634 0.05 . 1 . . . . . . . . . 5879 1 1575 . 1 1 153 153 ASN HB3 H 1 2.198 0.02 . 2 . . . . . . . . . 5879 1 1576 . 1 1 153 153 ASN HB2 H 1 2.381 0.02 . 2 . . . . . . . . . 5879 1 1577 . 1 1 153 153 ASN C C 13 177.087 0.05 . 1 . . . . . . . . . 5879 1 1578 . 1 1 154 154 TYR N N 15 123.193 0.05 . 1 . . . . . . . . . 5879 1 1579 . 1 1 154 154 TYR H H 1 8.500 0.02 . 1 . . . . . . . . . 5879 1 1580 . 1 1 154 154 TYR CA C 13 55.125 0.05 . 1 . . . . . . . . . 5879 1 1581 . 1 1 154 154 TYR HA H 1 4.464 0.02 . 1 . . . . . . . . . 5879 1 1582 . 1 1 154 154 TYR CB C 13 41.435 0.05 . 1 . . . . . . . . . 5879 1 1583 . 1 1 154 154 TYR HB3 H 1 2.284 0.02 . 1 . . . . . . . . . 5879 1 1584 . 1 1 154 154 TYR HB2 H 1 2.284 0.02 . 1 . . . . . . . . . 5879 1 1585 . 1 1 154 154 TYR C C 13 174.908 0.05 . 1 . . . . . . . . . 5879 1 1586 . 1 1 155 155 ASN N N 15 121.590 0.05 . 1 . . . . . . . . . 5879 1 1587 . 1 1 155 155 ASN H H 1 8.199 0.02 . 1 . . . . . . . . . 5879 1 1588 . 1 1 155 155 ASN CA C 13 53.241 0.05 . 1 . . . . . . . . . 5879 1 1589 . 1 1 155 155 ASN HA H 1 4.858 0.02 . 1 . . . . . . . . . 5879 1 1590 . 1 1 155 155 ASN CB C 13 39.833 0.05 . 1 . . . . . . . . . 5879 1 1591 . 1 1 155 155 ASN HB3 H 1 2.663 0.02 . 2 . . . . . . . . . 5879 1 1592 . 1 1 155 155 ASN HB2 H 1 2.899 0.02 . 2 . . . . . . . . . 5879 1 1593 . 1 1 155 155 ASN C C 13 175.854 0.05 . 1 . . . . . . . . . 5879 1 1594 . 1 1 156 156 GLY N N 15 116.410 0.05 . 1 . . . . . . . . . 5879 1 1595 . 1 1 156 156 GLY H H 1 8.024 0.02 . 1 . . . . . . . . . 5879 1 1596 . 1 1 156 156 GLY CA C 13 46.298 0.05 . 1 . . . . . . . . . 5879 1 1597 . 1 1 156 156 GLY HA3 H 1 3.902 0.02 . 2 . . . . . . . . . 5879 1 1598 . 1 1 156 156 GLY HA2 H 1 3.788 0.02 . 2 . . . . . . . . . 5879 1 stop_ save_