data_6565 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6565 _Entry.Title ; Assignment of 1H, 13C and 15N resonances of barnacle cement protein Mrcp-20k ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-22 _Entry.Accession_date 2005-03-23 _Entry.Last_release_date 2005-09-01 _Entry.Original_release_date 2005-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rintaro Suzuki . . . 6565 2 Youichi Mori . . . 6565 3 Kei Kamino . . . 6565 4 Toshimasa Yamazaki . . . 6565 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6565 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 619 6565 '15N chemical shifts' 172 6565 '1H chemical shifts' 908 6565 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 . . 2005-09-01 2005-03-22 original author . 6565 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6565 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16132826 _Citation.Full_citation . _Citation.Title 'NMR Assignment of the Barnacle Cement Protein Mrcp-20k' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 257 _Citation.Page_last 257 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rintaro Suzuki . . . 6565 1 2 Youichi Mori . . . 6565 1 3 Kei Kamino . . . 6565 1 4 Toshimasa Yamazaki . . . 6565 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6565 _Assembly.ID 1 _Assembly.Name 'Mrcp20k monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic yes _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_ _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 Mrcp20k 1 $Mrcp20k . . yes native no no . . ; The MS measurements together with the chemical modification experiments indicate that all the Cys residues participate in intramolecular S-S bond formation. But the disulfide bond linkages have not been experimentally determined because of the abundance of the cystein residues in the protein. ; 6565 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mrcp20k _Entity.Sf_category entity _Entity.Sf_framecode Mrcp20k _Entity.Entry_ID 6565 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mrcp20k _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 ; AMAHEEDGVCNSNAPCYHCD ANGENCSCNCELFDCEAKKP DGSYAHPCRRCDANNICKCS CTAIPCNEDHPCHHCHEEDD GDTHCHCSCEHSHDHHDDDT HGECTKKAPCWRCEYNADLK HDVCGCECSKLPCNDEHPCY RKEGGVVSCDCKTITCNEDH PCYHSYEEDGVTKSDCDCEH SPGPSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 186 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Hyperfine shifted 1H signals in a range of 55-75 ppm are oberved in 1D 1H spectra of Mrcp20k suggesting the existence of paramagnetic metal atom(s) that is not specified. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no DBJ BAB18762 . "cement protein-20k [Megabalanus rosa]" . . . . . 100.00 202 98.92 98.92 4.71e-123 . . . . 6565 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cement protein' 6565 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 17 ALA . 6565 1 2 18 MET . 6565 1 3 19 ALA . 6565 1 4 20 HIS . 6565 1 5 21 GLU . 6565 1 6 22 GLU . 6565 1 7 23 ASP . 6565 1 8 24 GLY . 6565 1 9 25 VAL . 6565 1 10 26 CYS . 6565 1 11 27 ASN . 6565 1 12 28 SER . 6565 1 13 29 ASN . 6565 1 14 30 ALA . 6565 1 15 31 PRO . 6565 1 16 32 CYS . 6565 1 17 33 TYR . 6565 1 18 34 HIS . 6565 1 19 35 CYS . 6565 1 20 36 ASP . 6565 1 21 37 ALA . 6565 1 22 38 ASN . 6565 1 23 39 GLY . 6565 1 24 40 GLU . 6565 1 25 41 ASN . 6565 1 26 42 CYS . 6565 1 27 43 SER . 6565 1 28 44 CYS . 6565 1 29 45 ASN . 6565 1 30 46 CYS . 6565 1 31 47 GLU . 6565 1 32 48 LEU . 6565 1 33 49 PHE . 6565 1 34 50 ASP . 6565 1 35 51 CYS . 6565 1 36 52 GLU . 6565 1 37 53 ALA . 6565 1 38 54 LYS . 6565 1 39 55 LYS . 6565 1 40 56 PRO . 6565 1 41 57 ASP . 6565 1 42 58 GLY . 6565 1 43 59 SER . 6565 1 44 60 TYR . 6565 1 45 61 ALA . 6565 1 46 62 HIS . 6565 1 47 63 PRO . 6565 1 48 64 CYS . 6565 1 49 65 ARG . 6565 1 50 66 ARG . 6565 1 51 67 CYS . 6565 1 52 68 ASP . 6565 1 53 69 ALA . 6565 1 54 70 ASN . 6565 1 55 71 ASN . 6565 1 56 72 ILE . 6565 1 57 73 CYS . 6565 1 58 74 LYS . 6565 1 59 75 CYS . 6565 1 60 76 SER . 6565 1 61 77 CYS . 6565 1 62 78 THR . 6565 1 63 79 ALA . 6565 1 64 80 ILE . 6565 1 65 81 PRO . 6565 1 66 82 CYS . 6565 1 67 83 ASN . 6565 1 68 84 GLU . 6565 1 69 85 ASP . 6565 1 70 86 HIS . 6565 1 71 87 PRO . 6565 1 72 88 CYS . 6565 1 73 89 HIS . 6565 1 74 90 HIS . 6565 1 75 91 CYS . 6565 1 76 92 HIS . 6565 1 77 93 GLU . 6565 1 78 94 GLU . 6565 1 79 95 ASP . 6565 1 80 96 ASP . 6565 1 81 97 GLY . 6565 1 82 98 ASP . 6565 1 83 99 THR . 6565 1 84 100 HIS . 6565 1 85 101 CYS . 6565 1 86 102 HIS . 6565 1 87 103 CYS . 6565 1 88 104 SER . 6565 1 89 105 CYS . 6565 1 90 106 GLU . 6565 1 91 107 HIS . 6565 1 92 108 SER . 6565 1 93 109 HIS . 6565 1 94 110 ASP . 6565 1 95 111 HIS . 6565 1 96 112 HIS . 6565 1 97 113 ASP . 6565 1 98 114 ASP . 6565 1 99 115 ASP . 6565 1 100 116 THR . 6565 1 101 117 HIS . 6565 1 102 118 GLY . 6565 1 103 119 GLU . 6565 1 104 120 CYS . 6565 1 105 121 THR . 6565 1 106 122 LYS . 6565 1 107 123 LYS . 6565 1 108 124 ALA . 6565 1 109 125 PRO . 6565 1 110 126 CYS . 6565 1 111 127 TRP . 6565 1 112 128 ARG . 6565 1 113 129 CYS . 6565 1 114 130 GLU . 6565 1 115 131 TYR . 6565 1 116 132 ASN . 6565 1 117 133 ALA . 6565 1 118 134 ASP . 6565 1 119 135 LEU . 6565 1 120 136 LYS . 6565 1 121 137 HIS . 6565 1 122 138 ASP . 6565 1 123 139 VAL . 6565 1 124 140 CYS . 6565 1 125 141 GLY . 6565 1 126 142 CYS . 6565 1 127 143 GLU . 6565 1 128 144 CYS . 6565 1 129 145 SER . 6565 1 130 146 LYS . 6565 1 131 147 LEU . 6565 1 132 148 PRO . 6565 1 133 149 CYS . 6565 1 134 150 ASN . 6565 1 135 151 ASP . 6565 1 136 152 GLU . 6565 1 137 153 HIS . 6565 1 138 154 PRO . 6565 1 139 155 CYS . 6565 1 140 156 TYR . 6565 1 141 157 ARG . 6565 1 142 158 LYS . 6565 1 143 159 GLU . 6565 1 144 160 GLY . 6565 1 145 161 GLY . 6565 1 146 162 VAL . 6565 1 147 163 VAL . 6565 1 148 164 SER . 6565 1 149 165 CYS . 6565 1 150 166 ASP . 6565 1 151 167 CYS . 6565 1 152 168 LYS . 6565 1 153 169 THR . 6565 1 154 170 ILE . 6565 1 155 171 THR . 6565 1 156 172 CYS . 6565 1 157 173 ASN . 6565 1 158 174 GLU . 6565 1 159 175 ASP . 6565 1 160 176 HIS . 6565 1 161 177 PRO . 6565 1 162 178 CYS . 6565 1 163 179 TYR . 6565 1 164 180 HIS . 6565 1 165 181 SER . 6565 1 166 182 TYR . 6565 1 167 183 GLU . 6565 1 168 184 GLU . 6565 1 169 185 ASP . 6565 1 170 186 GLY . 6565 1 171 187 VAL . 6565 1 172 188 THR . 6565 1 173 189 LYS . 6565 1 174 190 SER . 6565 1 175 191 ASP . 6565 1 176 192 CYS . 6565 1 177 193 ASP . 6565 1 178 194 CYS . 6565 1 179 195 GLU . 6565 1 180 196 HIS . 6565 1 181 197 SER . 6565 1 182 198 PRO . 6565 1 183 199 GLY . 6565 1 184 200 PRO . 6565 1 185 201 SER . 6565 1 186 202 GLU . 6565 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 . ALA 1 1 6565 1 . MET 2 2 6565 1 . ALA 3 3 6565 1 . HIS 4 4 6565 1 . GLU 5 5 6565 1 . GLU 6 6 6565 1 . ASP 7 7 6565 1 . GLY 8 8 6565 1 . VAL 9 9 6565 1 . CYS 10 10 6565 1 . ASN 11 11 6565 1 . SER 12 12 6565 1 . ASN 13 13 6565 1 . ALA 14 14 6565 1 . PRO 15 15 6565 1 . CYS 16 16 6565 1 . TYR 17 17 6565 1 . HIS 18 18 6565 1 . CYS 19 19 6565 1 . ASP 20 20 6565 1 . ALA 21 21 6565 1 . ASN 22 22 6565 1 . GLY 23 23 6565 1 . GLU 24 24 6565 1 . ASN 25 25 6565 1 . CYS 26 26 6565 1 . SER 27 27 6565 1 . CYS 28 28 6565 1 . ASN 29 29 6565 1 . CYS 30 30 6565 1 . GLU 31 31 6565 1 . LEU 32 32 6565 1 . PHE 33 33 6565 1 . ASP 34 34 6565 1 . CYS 35 35 6565 1 . GLU 36 36 6565 1 . ALA 37 37 6565 1 . LYS 38 38 6565 1 . LYS 39 39 6565 1 . PRO 40 40 6565 1 . ASP 41 41 6565 1 . GLY 42 42 6565 1 . SER 43 43 6565 1 . TYR 44 44 6565 1 . ALA 45 45 6565 1 . HIS 46 46 6565 1 . PRO 47 47 6565 1 . CYS 48 48 6565 1 . ARG 49 49 6565 1 . ARG 50 50 6565 1 . CYS 51 51 6565 1 . ASP 52 52 6565 1 . ALA 53 53 6565 1 . ASN 54 54 6565 1 . ASN 55 55 6565 1 . ILE 56 56 6565 1 . CYS 57 57 6565 1 . LYS 58 58 6565 1 . CYS 59 59 6565 1 . SER 60 60 6565 1 . CYS 61 61 6565 1 . THR 62 62 6565 1 . ALA 63 63 6565 1 . ILE 64 64 6565 1 . PRO 65 65 6565 1 . CYS 66 66 6565 1 . ASN 67 67 6565 1 . GLU 68 68 6565 1 . ASP 69 69 6565 1 . HIS 70 70 6565 1 . PRO 71 71 6565 1 . CYS 72 72 6565 1 . HIS 73 73 6565 1 . HIS 74 74 6565 1 . CYS 75 75 6565 1 . HIS 76 76 6565 1 . GLU 77 77 6565 1 . GLU 78 78 6565 1 . ASP 79 79 6565 1 . ASP 80 80 6565 1 . GLY 81 81 6565 1 . ASP 82 82 6565 1 . THR 83 83 6565 1 . HIS 84 84 6565 1 . CYS 85 85 6565 1 . HIS 86 86 6565 1 . CYS 87 87 6565 1 . SER 88 88 6565 1 . CYS 89 89 6565 1 . GLU 90 90 6565 1 . HIS 91 91 6565 1 . SER 92 92 6565 1 . HIS 93 93 6565 1 . ASP 94 94 6565 1 . HIS 95 95 6565 1 . HIS 96 96 6565 1 . ASP 97 97 6565 1 . ASP 98 98 6565 1 . ASP 99 99 6565 1 . THR 100 100 6565 1 . HIS 101 101 6565 1 . GLY 102 102 6565 1 . GLU 103 103 6565 1 . CYS 104 104 6565 1 . THR 105 105 6565 1 . LYS 106 106 6565 1 . LYS 107 107 6565 1 . ALA 108 108 6565 1 . PRO 109 109 6565 1 . CYS 110 110 6565 1 . TRP 111 111 6565 1 . ARG 112 112 6565 1 . CYS 113 113 6565 1 . GLU 114 114 6565 1 . TYR 115 115 6565 1 . ASN 116 116 6565 1 . ALA 117 117 6565 1 . ASP 118 118 6565 1 . LEU 119 119 6565 1 . LYS 120 120 6565 1 . HIS 121 121 6565 1 . ASP 122 122 6565 1 . VAL 123 123 6565 1 . CYS 124 124 6565 1 . GLY 125 125 6565 1 . CYS 126 126 6565 1 . GLU 127 127 6565 1 . CYS 128 128 6565 1 . SER 129 129 6565 1 . LYS 130 130 6565 1 . LEU 131 131 6565 1 . PRO 132 132 6565 1 . CYS 133 133 6565 1 . ASN 134 134 6565 1 . ASP 135 135 6565 1 . GLU 136 136 6565 1 . HIS 137 137 6565 1 . PRO 138 138 6565 1 . CYS 139 139 6565 1 . TYR 140 140 6565 1 . ARG 141 141 6565 1 . LYS 142 142 6565 1 . GLU 143 143 6565 1 . GLY 144 144 6565 1 . GLY 145 145 6565 1 . VAL 146 146 6565 1 . VAL 147 147 6565 1 . SER 148 148 6565 1 . CYS 149 149 6565 1 . ASP 150 150 6565 1 . CYS 151 151 6565 1 . LYS 152 152 6565 1 . THR 153 153 6565 1 . ILE 154 154 6565 1 . THR 155 155 6565 1 . CYS 156 156 6565 1 . ASN 157 157 6565 1 . GLU 158 158 6565 1 . ASP 159 159 6565 1 . HIS 160 160 6565 1 . PRO 161 161 6565 1 . CYS 162 162 6565 1 . TYR 163 163 6565 1 . HIS 164 164 6565 1 . SER 165 165 6565 1 . TYR 166 166 6565 1 . GLU 167 167 6565 1 . GLU 168 168 6565 1 . ASP 169 169 6565 1 . GLY 170 170 6565 1 . VAL 171 171 6565 1 . THR 172 172 6565 1 . LYS 173 173 6565 1 . SER 174 174 6565 1 . ASP 175 175 6565 1 . CYS 176 176 6565 1 . ASP 177 177 6565 1 . CYS 178 178 6565 1 . GLU 179 179 6565 1 . HIS 180 180 6565 1 . SER 181 181 6565 1 . PRO 182 182 6565 1 . GLY 183 183 6565 1 . PRO 184 184 6565 1 . SER 185 185 6565 1 . GLU 186 186 6565 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 6565 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Mrcp20k . 6680 organism . 'Megabalanus rosa' 'Acorn barnacle' . . Eukaryota Metazoa Megabalanus rosa . . . . . . . . . . . . . Cement . . . . . . . 6565 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 6565 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Mrcp20k . 'recombinant technology' . 'E. coli' . 562 Escherichia coli 'Origami B (DE3)' . . . . . . . . . . . . pET32 . . . . . . . . . 6565 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6565 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample in 10% D2O.' _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 Mrcp20k '[U-13C; U-15N]' . . 1 $Mrcp20k . . 7 . . mM . . . . 6565 1 2 'Sodium Phosphate' . . . . . . . 10 . . mM . . . . 6565 1 3 D2O . . . . . . . 10 . . % . . . . 6565 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6565 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample in D2O.' _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 Mrcp20k '[U-13C; U-15N]' . . 1 $Mrcp20k . . 7 . . mM . . . . 6565 2 2 'Sodium Phosphate' . . . . . . . 10 . . mM . . . . 6565 2 3 D2O . . . . . . . 99.8 . . % . . . . 6565 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6565 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 6.8 0.02 pH 6565 1 temperature 298 . K 6565 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6565 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6565 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6565 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6565 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N HSQC' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 2 '3D HNCO' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 3 '3D HNCACB' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 4 '3D CBCA(CO)NH' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 5 '3D HNCA' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 6 '3D 15N-separated NOESY-HSQC' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 7 '3D 13C/15N-separated NOESY-HSQC' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 8 '1H13C HSQC' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 9 '3D HCCH-TOCSY' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 10 '4D 13C/13C-separated HSQC-NOESY-HSQC' no 1 $1H15N_HSQC . . . . . . . . . . . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6565 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6565 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 6565 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbons' . . . . ppm 0.0 external direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6565 1 H 1 TSP protons . . . . ppm 0.0 external direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6565 1 N 15 'Liquid Ammonia' nitrogen . . . . ppm 0.0 external direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6565 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_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode list_1 _Assigned_chem_shift_list.Entry_ID 6565 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H15N HSQC' 1 $sample_1 isotropic 6565 1 2 '3D HNCO' 1 $sample_1 isotropic 6565 1 3 '3D HNCACB' 1 $sample_1 isotropic 6565 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 6565 1 5 '3D HNCA' 1 $sample_1 isotropic 6565 1 6 '3D 15N-separated NOESY-HSQC' 1 $sample_1 isotropic 6565 1 7 '3D 13C/15N-separated NOESY-HSQC' 1 $sample_1 isotropic 6565 1 8 '1H13C HSQC' 2 $sample_2 isotropic 6565 1 9 '3D HCCH-TOCSY' 2 $sample_2 isotropic 6565 1 10 '4D 13C/13C-separated HSQC-NOESY-HSQC' 2 $sample_2 isotropic 6565 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Sparky . . 6565 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.10 0.009 . 1 . . . . 17 ALA HA . 6565 1 2 . 1 1 1 1 ALA HB1 H 1 1.54 0.009 . 1 . . . . 17 ALA HB . 6565 1 3 . 1 1 1 1 ALA HB2 H 1 1.54 0.009 . 1 . . . . 17 ALA HB . 6565 1 4 . 1 1 1 1 ALA HB3 H 1 1.54 0.009 . 1 . . . . 17 ALA HB . 6565 1 5 . 1 1 1 1 ALA C C 13 173.1 0.052 . 1 . . . . 17 ALA C . 6565 1 6 . 1 1 1 1 ALA CA C 13 51.2 0.094 . 1 . . . . 17 ALA CA . 6565 1 7 . 1 1 1 1 ALA CB C 13 19.1 0.077 . 1 . . . . 17 ALA CB . 6565 1 8 . 1 1 2 2 MET H H 1 8.56 0.005 . 1 . . . . 18 MET H . 6565 1 9 . 1 1 2 2 MET HA H 1 4.64 0.013 . 1 . . . . 18 MET HA . 6565 1 10 . 1 1 2 2 MET HB2 H 1 1.84 0.009 . 1 . . . . 18 MET HB2 . 6565 1 11 . 1 1 2 2 MET HB3 H 1 1.84 0.009 . 1 . . . . 18 MET HB3 . 6565 1 12 . 1 1 2 2 MET HG2 H 1 2.41 0.004 . 2 . . . . 18 MET HG2 . 6565 1 13 . 1 1 2 2 MET HG3 H 1 2.31 0.009 . 2 . . . . 18 MET HG3 . 6565 1 14 . 1 1 2 2 MET HE1 H 1 1.92 0.006 . 1 . . . . 18 MET HE . 6565 1 15 . 1 1 2 2 MET HE2 H 1 1.92 0.006 . 1 . . . . 18 MET HE . 6565 1 16 . 1 1 2 2 MET HE3 H 1 1.92 0.006 . 1 . . . . 18 MET HE . 6565 1 17 . 1 1 2 2 MET C C 13 175.0 0.052 . 1 . . . . 18 MET C . 6565 1 18 . 1 1 2 2 MET CA C 13 54.5 0.136 . 1 . . . . 18 MET CA . 6565 1 19 . 1 1 2 2 MET CB C 13 33.4 0.029 . 1 . . . . 18 MET CB . 6565 1 20 . 1 1 2 2 MET CG C 13 31.5 0.047 . 1 . . . . 18 MET CG . 6565 1 21 . 1 1 2 2 MET CE C 13 16.6 0.093 . 1 . . . . 18 MET CE . 6565 1 22 . 1 1 2 2 MET N N 15 119.3 0.055 . 1 . . . . 18 MET N . 6565 1 23 . 1 1 3 3 ALA H H 1 8.49 0.003 . 1 . . . . 19 ALA H . 6565 1 24 . 1 1 3 3 ALA C C 13 176.2 0.052 . 1 . . . . 19 ALA C . 6565 1 25 . 1 1 3 3 ALA CA C 13 51.6 0.029 . 1 . . . . 19 ALA CA . 6565 1 26 . 1 1 3 3 ALA CB C 13 20.1 0.024 . 1 . . . . 19 ALA CB . 6565 1 27 . 1 1 3 3 ALA N N 15 125.5 0.042 . 1 . . . . 19 ALA N . 6565 1 28 . 1 1 4 4 HIS H H 1 8.72 0.009 . 1 . . . . 20 HIS H . 6565 1 29 . 1 1 4 4 HIS C C 13 174.6 0.052 . 1 . . . . 20 HIS C . 6565 1 30 . 1 1 4 4 HIS CA C 13 55.5 0.110 . 1 . . . . 20 HIS CA . 6565 1 31 . 1 1 4 4 HIS CB C 13 28.5 0.046 . 1 . . . . 20 HIS CB . 6565 1 32 . 1 1 4 4 HIS N N 15 121.1 0.053 . 1 . . . . 20 HIS N . 6565 1 33 . 1 1 5 5 GLU H H 1 8.48 0.007 . 1 . . . . 21 GLU H . 6565 1 34 . 1 1 5 5 GLU C C 13 177.0 0.052 . 1 . . . . 21 GLU C . 6565 1 35 . 1 1 5 5 GLU CA C 13 55.2 0.015 . 1 . . . . 21 GLU CA . 6565 1 36 . 1 1 5 5 GLU CB C 13 31.7 0.130 . 1 . . . . 21 GLU CB . 6565 1 37 . 1 1 5 5 GLU N N 15 122.8 0.050 . 1 . . . . 21 GLU N . 6565 1 38 . 1 1 6 6 GLU H H 1 8.81 0.004 . 1 . . . . 22 GLU H . 6565 1 39 . 1 1 6 6 GLU N N 15 120.7 0.031 . 1 . . . . 22 GLU N . 6565 1 40 . 1 1 7 7 ASP C C 13 176.6 0.052 . 1 . . . . 23 ASP C . 6565 1 41 . 1 1 7 7 ASP CA C 13 54.4 0.130 . 1 . . . . 23 ASP CA . 6565 1 42 . 1 1 7 7 ASP CB C 13 40.9 0.130 . 1 . . . . 23 ASP CB . 6565 1 43 . 1 1 8 8 GLY H H 1 8.33 0.002 . 1 . . . . 24 GLY H . 6565 1 44 . 1 1 8 8 GLY N N 15 109.2 0.033 . 1 . . . . 24 GLY N . 6565 1 45 . 1 1 9 9 VAL HA H 1 5.00 0.001 . 1 . . . . 25 VAL HA . 6565 1 46 . 1 1 9 9 VAL HB H 1 1.62 0.008 . 1 . . . . 25 VAL HB . 6565 1 47 . 1 1 9 9 VAL HG11 H 1 0.64 0.016 . 2 . . . . 25 VAL HG1 . 6565 1 48 . 1 1 9 9 VAL HG12 H 1 0.64 0.016 . 2 . . . . 25 VAL HG1 . 6565 1 49 . 1 1 9 9 VAL HG13 H 1 0.64 0.016 . 2 . . . . 25 VAL HG1 . 6565 1 50 . 1 1 9 9 VAL HG21 H 1 0.43 0.013 . 2 . . . . 25 VAL HG2 . 6565 1 51 . 1 1 9 9 VAL HG22 H 1 0.43 0.013 . 2 . . . . 25 VAL HG2 . 6565 1 52 . 1 1 9 9 VAL HG23 H 1 0.43 0.013 . 2 . . . . 25 VAL HG2 . 6565 1 53 . 1 1 9 9 VAL C C 13 174.5 0.052 . 1 . . . . 25 VAL C . 6565 1 54 . 1 1 9 9 VAL CA C 13 59.0 0.104 . 1 . . . . 25 VAL CA . 6565 1 55 . 1 1 9 9 VAL CB C 13 36.0 0.148 . 1 . . . . 25 VAL CB . 6565 1 56 . 1 1 9 9 VAL CG1 C 13 22.0 0.032 . 2 . . . . 25 VAL CG1 . 6565 1 57 . 1 1 9 9 VAL CG2 C 13 19.8 0.062 . 2 . . . . 25 VAL CG2 . 6565 1 58 . 1 1 10 10 CYS H H 1 8.48 0.009 . 1 . . . . 26 CYS H . 6565 1 59 . 1 1 10 10 CYS HA H 1 5.11 0.010 . 1 . . . . 26 CYS HA . 6565 1 60 . 1 1 10 10 CYS HB2 H 1 3.12 0.028 . 2 . . . . 26 CYS HB2 . 6565 1 61 . 1 1 10 10 CYS HB3 H 1 2.93 0.019 . 2 . . . . 26 CYS HB3 . 6565 1 62 . 1 1 10 10 CYS C C 13 170.9 0.052 . 1 . . . . 26 CYS C . 6565 1 63 . 1 1 10 10 CYS CA C 13 54.0 0.085 . 1 . . . . 26 CYS CA . 6565 1 64 . 1 1 10 10 CYS CB C 13 35.9 0.189 . 1 . . . . 26 CYS CB . 6565 1 65 . 1 1 10 10 CYS N N 15 125.3 0.058 . 1 . . . . 26 CYS N . 6565 1 66 . 1 1 11 11 ASN H H 1 6.91 0.008 . 1 . . . . 27 ASN H . 6565 1 67 . 1 1 11 11 ASN HA H 1 5.02 0.010 . 1 . . . . 27 ASN HA . 6565 1 68 . 1 1 11 11 ASN HB2 H 1 3.40 0.007 . 2 . . . . 27 ASN HB2 . 6565 1 69 . 1 1 11 11 ASN HB3 H 1 2.97 0.012 . 2 . . . . 27 ASN HB3 . 6565 1 70 . 1 1 11 11 ASN HD21 H 1 7.58 0.010 . 1 . . . . 27 ASN HD21 . 6565 1 71 . 1 1 11 11 ASN HD22 H 1 7.18 0.001 . 1 . . . . 27 ASN HD22 . 6565 1 72 . 1 1 11 11 ASN C C 13 175.5 0.052 . 1 . . . . 27 ASN C . 6565 1 73 . 1 1 11 11 ASN CA C 13 50.3 0.081 . 1 . . . . 27 ASN CA . 6565 1 74 . 1 1 11 11 ASN CB C 13 39.3 0.067 . 1 . . . . 27 ASN CB . 6565 1 75 . 1 1 11 11 ASN N N 15 125.4 0.050 . 1 . . . . 27 ASN N . 6565 1 76 . 1 1 11 11 ASN ND2 N 15 114.1 0.015 . 1 . . . . 27 ASN ND2 . 6565 1 77 . 1 1 12 12 SER H H 1 7.99 0.007 . 1 . . . . 28 SER H . 6565 1 78 . 1 1 12 12 SER HA H 1 2.96 0.011 . 1 . . . . 28 SER HA . 6565 1 79 . 1 1 12 12 SER HB2 H 1 3.72 0.014 . 2 . . . . 28 SER HB2 . 6565 1 80 . 1 1 12 12 SER HB3 H 1 3.33 0.016 . 2 . . . . 28 SER HB3 . 6565 1 81 . 1 1 12 12 SER C C 13 175.1 0.052 . 1 . . . . 28 SER C . 6565 1 82 . 1 1 12 12 SER CA C 13 59.7 0.117 . 1 . . . . 28 SER CA . 6565 1 83 . 1 1 12 12 SER CB C 13 61.3 0.044 . 1 . . . . 28 SER CB . 6565 1 84 . 1 1 12 12 SER N N 15 111.0 0.037 . 1 . . . . 28 SER N . 6565 1 85 . 1 1 13 13 ASN H H 1 8.10 0.011 . 1 . . . . 29 ASN H . 6565 1 86 . 1 1 13 13 ASN HA H 1 4.71 0.012 . 1 . . . . 29 ASN HA . 6565 1 87 . 1 1 13 13 ASN HB2 H 1 3.04 0.005 . 2 . . . . 29 ASN HB2 . 6565 1 88 . 1 1 13 13 ASN HB3 H 1 2.97 0.005 . 2 . . . . 29 ASN HB3 . 6565 1 89 . 1 1 13 13 ASN HD21 H 1 6.89 0.003 . 1 . . . . 29 ASN HD21 . 6565 1 90 . 1 1 13 13 ASN HD22 H 1 6.13 0.011 . 1 . . . . 29 ASN HD22 . 6565 1 91 . 1 1 13 13 ASN C C 13 176.5 0.052 . 1 . . . . 29 ASN C . 6565 1 92 . 1 1 13 13 ASN CA C 13 53.2 0.104 . 1 . . . . 29 ASN CA . 6565 1 93 . 1 1 13 13 ASN CB C 13 38.9 0.103 . 1 . . . . 29 ASN CB . 6565 1 94 . 1 1 13 13 ASN N N 15 118.0 0.027 . 1 . . . . 29 ASN N . 6565 1 95 . 1 1 13 13 ASN ND2 N 15 114.1 0.127 . 1 . . . . 29 ASN ND2 . 6565 1 96 . 1 1 14 14 ALA H H 1 8.44 0.003 . 1 . . . . 30 ALA H . 6565 1 97 . 1 1 14 14 ALA HA H 1 4.37 0.003 . 1 . . . . 30 ALA HA . 6565 1 98 . 1 1 14 14 ALA HB1 H 1 1.57 0.023 . 1 . . . . 30 ALA HB . 6565 1 99 . 1 1 14 14 ALA HB2 H 1 1.57 0.023 . 1 . . . . 30 ALA HB . 6565 1 100 . 1 1 14 14 ALA HB3 H 1 1.57 0.023 . 1 . . . . 30 ALA HB . 6565 1 101 . 1 1 14 14 ALA CA C 13 50.0 0.021 . 1 . . . . 30 ALA CA . 6565 1 102 . 1 1 14 14 ALA CB C 13 17.7 0.090 . 1 . . . . 30 ALA CB . 6565 1 103 . 1 1 14 14 ALA N N 15 126.2 0.057 . 1 . . . . 30 ALA N . 6565 1 104 . 1 1 15 15 PRO C C 13 177.8 0.052 . 1 . . . . 31 PRO C . 6565 1 105 . 1 1 15 15 PRO CA C 13 65.8 0.024 . 1 . . . . 31 PRO CA . 6565 1 106 . 1 1 15 15 PRO CB C 13 33.2 0.080 . 1 . . . . 31 PRO CB . 6565 1 107 . 1 1 16 16 CYS H H 1 7.62 0.004 . 1 . . . . 32 CYS H . 6565 1 108 . 1 1 16 16 CYS HA H 1 4.50 0.012 . 1 . . . . 32 CYS HA . 6565 1 109 . 1 1 16 16 CYS HB2 H 1 3.68 0.010 . 2 . . . . 32 CYS HB2 . 6565 1 110 . 1 1 16 16 CYS HB3 H 1 2.75 0.017 . 2 . . . . 32 CYS HB3 . 6565 1 111 . 1 1 16 16 CYS C C 13 172.1 0.052 . 1 . . . . 32 CYS C . 6565 1 112 . 1 1 16 16 CYS CA C 13 54.6 0.088 . 1 . . . . 32 CYS CA . 6565 1 113 . 1 1 16 16 CYS CB C 13 43.5 0.107 . 1 . . . . 32 CYS CB . 6565 1 114 . 1 1 16 16 CYS N N 15 106.9 0.054 . 1 . . . . 32 CYS N . 6565 1 115 . 1 1 17 17 TYR H H 1 8.18 0.006 . 1 . . . . 33 TYR H . 6565 1 116 . 1 1 17 17 TYR HA H 1 4.59 0.013 . 1 . . . . 33 TYR HA . 6565 1 117 . 1 1 17 17 TYR HB2 H 1 3.32 0.010 . 2 . . . . 33 TYR HB2 . 6565 1 118 . 1 1 17 17 TYR HB3 H 1 2.74 0.023 . 2 . . . . 33 TYR HB3 . 6565 1 119 . 1 1 17 17 TYR HD1 H 1 6.77 0.009 . 1 . . . . 33 TYR HD1 . 6565 1 120 . 1 1 17 17 TYR HD2 H 1 6.77 0.009 . 1 . . . . 33 TYR HD2 . 6565 1 121 . 1 1 17 17 TYR HE1 H 1 6.49 0.006 . 1 . . . . 33 TYR HE1 . 6565 1 122 . 1 1 17 17 TYR HE2 H 1 6.49 0.006 . 1 . . . . 33 TYR HE2 . 6565 1 123 . 1 1 17 17 TYR C C 13 174.5 0.052 . 1 . . . . 33 TYR C . 6565 1 124 . 1 1 17 17 TYR CA C 13 60.0 0.054 . 1 . . . . 33 TYR CA . 6565 1 125 . 1 1 17 17 TYR CB C 13 38.3 0.072 . 1 . . . . 33 TYR CB . 6565 1 126 . 1 1 17 17 TYR CD1 C 13 133.1 0.108 . 1 . . . . 33 TYR CD1 . 6565 1 127 . 1 1 17 17 TYR CD2 C 13 133.1 0.108 . 1 . . . . 33 TYR CD2 . 6565 1 128 . 1 1 17 17 TYR CE1 C 13 117.0 0.004 . 1 . . . . 33 TYR CE1 . 6565 1 129 . 1 1 17 17 TYR CE2 C 13 117.0 0.004 . 1 . . . . 33 TYR CE2 . 6565 1 130 . 1 1 17 17 TYR N N 15 123.4 0.045 . 1 . . . . 33 TYR N . 6565 1 131 . 1 1 18 18 HIS H H 1 7.99 0.007 . 1 . . . . 34 HIS H . 6565 1 132 . 1 1 18 18 HIS HA H 1 4.24 0.013 . 1 . . . . 34 HIS HA . 6565 1 133 . 1 1 18 18 HIS HB2 H 1 2.69 0.013 . 2 . . . . 34 HIS HB2 . 6565 1 134 . 1 1 18 18 HIS HB3 H 1 2.01 0.009 . 2 . . . . 34 HIS HB3 . 6565 1 135 . 1 1 18 18 HIS C C 13 170.4 0.052 . 1 . . . . 34 HIS C . 6565 1 136 . 1 1 18 18 HIS CA C 13 54.7 0.071 . 1 . . . . 34 HIS CA . 6565 1 137 . 1 1 18 18 HIS CB C 13 29.0 0.091 . 1 . . . . 34 HIS CB . 6565 1 138 . 1 1 18 18 HIS N N 15 122.1 0.057 . 1 . . . . 34 HIS N . 6565 1 139 . 1 1 19 19 CYS H H 1 8.42 0.006 . 1 . . . . 35 CYS H . 6565 1 140 . 1 1 19 19 CYS HA H 1 4.49 0.014 . 1 . . . . 35 CYS HA . 6565 1 141 . 1 1 19 19 CYS HB2 H 1 2.89 0.011 . 1 . . . . 35 CYS HB2 . 6565 1 142 . 1 1 19 19 CYS HB3 H 1 2.89 0.011 . 1 . . . . 35 CYS HB3 . 6565 1 143 . 1 1 19 19 CYS C C 13 173.1 0.052 . 1 . . . . 35 CYS C . 6565 1 144 . 1 1 19 19 CYS CA C 13 54.3 0.056 . 1 . . . . 35 CYS CA . 6565 1 145 . 1 1 19 19 CYS CB C 13 47.1 0.063 . 1 . . . . 35 CYS CB . 6565 1 146 . 1 1 19 19 CYS N N 15 118.0 0.044 . 1 . . . . 35 CYS N . 6565 1 147 . 1 1 20 20 ASP H H 1 8.76 0.004 . 1 . . . . 36 ASP H . 6565 1 148 . 1 1 20 20 ASP HA H 1 4.67 0.015 . 1 . . . . 36 ASP HA . 6565 1 149 . 1 1 20 20 ASP HB2 H 1 3.30 0.013 . 2 . . . . 36 ASP HB2 . 6565 1 150 . 1 1 20 20 ASP HB3 H 1 2.77 0.007 . 2 . . . . 36 ASP HB3 . 6565 1 151 . 1 1 20 20 ASP C C 13 177.5 0.052 . 1 . . . . 36 ASP C . 6565 1 152 . 1 1 20 20 ASP CA C 13 52.8 0.134 . 1 . . . . 36 ASP CA . 6565 1 153 . 1 1 20 20 ASP CB C 13 40.6 0.075 . 1 . . . . 36 ASP CB . 6565 1 154 . 1 1 20 20 ASP N N 15 119.7 0.043 . 1 . . . . 36 ASP N . 6565 1 155 . 1 1 21 21 ALA H H 1 8.48 0.003 . 1 . . . . 37 ALA H . 6565 1 156 . 1 1 21 21 ALA HA H 1 4.13 0.006 . 1 . . . . 37 ALA HA . 6565 1 157 . 1 1 21 21 ALA HB1 H 1 1.44 0.010 . 1 . . . . 37 ALA HB . 6565 1 158 . 1 1 21 21 ALA HB2 H 1 1.44 0.010 . 1 . . . . 37 ALA HB . 6565 1 159 . 1 1 21 21 ALA HB3 H 1 1.44 0.010 . 1 . . . . 37 ALA HB . 6565 1 160 . 1 1 21 21 ALA C C 13 178.1 0.052 . 1 . . . . 37 ALA C . 6565 1 161 . 1 1 21 21 ALA CA C 13 54.3 0.179 . 1 . . . . 37 ALA CA . 6565 1 162 . 1 1 21 21 ALA CB C 13 18.2 0.060 . 1 . . . . 37 ALA CB . 6565 1 163 . 1 1 21 21 ALA N N 15 120.2 0.031 . 1 . . . . 37 ALA N . 6565 1 164 . 1 1 22 22 ASN H H 1 8.37 0.006 . 1 . . . . 38 ASN H . 6565 1 165 . 1 1 22 22 ASN HA H 1 4.87 0.005 . 1 . . . . 38 ASN HA . 6565 1 166 . 1 1 22 22 ASN HB2 H 1 2.94 0.005 . 2 . . . . 38 ASN HB2 . 6565 1 167 . 1 1 22 22 ASN HB3 H 1 2.86 0.010 . 2 . . . . 38 ASN HB3 . 6565 1 168 . 1 1 22 22 ASN HD21 H 1 8.03 0.003 . 1 . . . . 38 ASN HD21 . 6565 1 169 . 1 1 22 22 ASN HD22 H 1 6.81 0.006 . 1 . . . . 38 ASN HD22 . 6565 1 170 . 1 1 22 22 ASN C C 13 175.4 0.052 . 1 . . . . 38 ASN C . 6565 1 171 . 1 1 22 22 ASN CA C 13 52.0 0.057 . 1 . . . . 38 ASN CA . 6565 1 172 . 1 1 22 22 ASN CB C 13 38.7 0.041 . 1 . . . . 38 ASN CB . 6565 1 173 . 1 1 22 22 ASN N N 15 114.3 0.026 . 1 . . . . 38 ASN N . 6565 1 174 . 1 1 22 22 ASN ND2 N 15 114.2 0.042 . 1 . . . . 38 ASN ND2 . 6565 1 175 . 1 1 23 23 GLY H H 1 8.33 0.006 . 1 . . . . 39 GLY H . 6565 1 176 . 1 1 23 23 GLY HA2 H 1 4.14 0.010 . 2 . . . . 39 GLY HA2 . 6565 1 177 . 1 1 23 23 GLY HA3 H 1 3.60 0.017 . 2 . . . . 39 GLY HA3 . 6565 1 178 . 1 1 23 23 GLY C C 13 173.1 0.052 . 1 . . . . 39 GLY C . 6565 1 179 . 1 1 23 23 GLY CA C 13 45.5 0.184 . 1 . . . . 39 GLY CA . 6565 1 180 . 1 1 23 23 GLY N N 15 108.7 0.041 . 1 . . . . 39 GLY N . 6565 1 181 . 1 1 24 24 GLU H H 1 8.04 0.003 . 1 . . . . 40 GLU H . 6565 1 182 . 1 1 24 24 GLU HA H 1 4.72 0.011 . 1 . . . . 40 GLU HA . 6565 1 183 . 1 1 24 24 GLU HB2 H 1 2.14 0.016 . 2 . . . . 40 GLU HB2 . 6565 1 184 . 1 1 24 24 GLU HB3 H 1 1.92 0.010 . 2 . . . . 40 GLU HB3 . 6565 1 185 . 1 1 24 24 GLU HG2 H 1 2.15 0.007 . 1 . . . . 40 GLU HG2 . 6565 1 186 . 1 1 24 24 GLU HG3 H 1 2.15 0.007 . 1 . . . . 40 GLU HG3 . 6565 1 187 . 1 1 24 24 GLU C C 13 174.0 0.052 . 1 . . . . 40 GLU C . 6565 1 188 . 1 1 24 24 GLU CA C 13 53.8 0.112 . 1 . . . . 40 GLU CA . 6565 1 189 . 1 1 24 24 GLU CB C 13 32.4 0.095 . 1 . . . . 40 GLU CB . 6565 1 190 . 1 1 24 24 GLU CG C 13 36.2 0.035 . 1 . . . . 40 GLU CG . 6565 1 191 . 1 1 24 24 GLU N N 15 118.8 0.031 . 1 . . . . 40 GLU N . 6565 1 192 . 1 1 25 25 ASN H H 1 9.07 0.005 . 1 . . . . 41 ASN H . 6565 1 193 . 1 1 25 25 ASN HA H 1 4.42 0.012 . 1 . . . . 41 ASN HA . 6565 1 194 . 1 1 25 25 ASN HB2 H 1 2.80 0.013 . 2 . . . . 41 ASN HB2 . 6565 1 195 . 1 1 25 25 ASN HB3 H 1 2.68 0.013 . 2 . . . . 41 ASN HB3 . 6565 1 196 . 1 1 25 25 ASN HD21 H 1 7.83 0.006 . 1 . . . . 41 ASN HD21 . 6565 1 197 . 1 1 25 25 ASN HD22 H 1 7.10 0.005 . 1 . . . . 41 ASN HD22 . 6565 1 198 . 1 1 25 25 ASN C C 13 175.1 0.052 . 1 . . . . 41 ASN C . 6565 1 199 . 1 1 25 25 ASN CA C 13 54.2 0.062 . 1 . . . . 41 ASN CA . 6565 1 200 . 1 1 25 25 ASN CB C 13 36.9 0.059 . 1 . . . . 41 ASN CB . 6565 1 201 . 1 1 25 25 ASN N N 15 115.7 0.015 . 1 . . . . 41 ASN N . 6565 1 202 . 1 1 25 25 ASN ND2 N 15 117.6 0.051 . 1 . . . . 41 ASN ND2 . 6565 1 203 . 1 1 26 26 CYS H H 1 8.96 0.004 . 1 . . . . 42 CYS H . 6565 1 204 . 1 1 26 26 CYS HA H 1 4.75 0.020 . 1 . . . . 42 CYS HA . 6565 1 205 . 1 1 26 26 CYS HB2 H 1 2.17 0.012 . 2 . . . . 42 CYS HB2 . 6565 1 206 . 1 1 26 26 CYS HB3 H 1 2.86 0.009 . 2 . . . . 42 CYS HB3 . 6565 1 207 . 1 1 26 26 CYS C C 13 175.4 0.052 . 1 . . . . 42 CYS C . 6565 1 208 . 1 1 26 26 CYS CA C 13 56.9 0.050 . 1 . . . . 42 CYS CA . 6565 1 209 . 1 1 26 26 CYS CB C 13 43.3 0.052 . 1 . . . . 42 CYS CB . 6565 1 210 . 1 1 26 26 CYS N N 15 118.6 0.021 . 1 . . . . 42 CYS N . 6565 1 211 . 1 1 27 27 SER H H 1 8.28 0.004 . 1 . . . . 43 SER H . 6565 1 212 . 1 1 27 27 SER HA H 1 4.37 0.010 . 1 . . . . 43 SER HA . 6565 1 213 . 1 1 27 27 SER HB2 H 1 3.84 0.008 . 2 . . . . 43 SER HB2 . 6565 1 214 . 1 1 27 27 SER HB3 H 1 3.03 0.010 . 2 . . . . 43 SER HB3 . 6565 1 215 . 1 1 27 27 SER C C 13 171.9 0.052 . 1 . . . . 43 SER C . 6565 1 216 . 1 1 27 27 SER CA C 13 56.6 0.059 . 1 . . . . 43 SER CA . 6565 1 217 . 1 1 27 27 SER CB C 13 65.0 0.059 . 1 . . . . 43 SER CB . 6565 1 218 . 1 1 27 27 SER N N 15 116.5 0.030 . 1 . . . . 43 SER N . 6565 1 219 . 1 1 28 28 CYS H H 1 8.81 0.006 . 1 . . . . 44 CYS H . 6565 1 220 . 1 1 28 28 CYS HA H 1 4.69 0.011 . 1 . . . . 44 CYS HA . 6565 1 221 . 1 1 28 28 CYS HB2 H 1 3.23 0.011 . 2 . . . . 44 CYS HB2 . 6565 1 222 . 1 1 28 28 CYS HB3 H 1 3.03 0.083 . 2 . . . . 44 CYS HB3 . 6565 1 223 . 1 1 28 28 CYS C C 13 171.7 0.052 . 1 . . . . 44 CYS C . 6565 1 224 . 1 1 28 28 CYS CA C 13 57.3 0.128 . 1 . . . . 44 CYS CA . 6565 1 225 . 1 1 28 28 CYS CB C 13 41.0 0.092 . 1 . . . . 44 CYS CB . 6565 1 226 . 1 1 28 28 CYS N N 15 118.2 0.021 . 1 . . . . 44 CYS N . 6565 1 227 . 1 1 29 29 ASN H H 1 7.81 0.004 . 1 . . . . 45 ASN H . 6565 1 228 . 1 1 29 29 ASN HA H 1 4.52 0.013 . 1 . . . . 45 ASN HA . 6565 1 229 . 1 1 29 29 ASN HB2 H 1 2.87 0.012 . 2 . . . . 45 ASN HB2 . 6565 1 230 . 1 1 29 29 ASN HB3 H 1 2.74 0.013 . 2 . . . . 45 ASN HB3 . 6565 1 231 . 1 1 29 29 ASN HD21 H 1 7.78 0.004 . 1 . . . . 45 ASN HD21 . 6565 1 232 . 1 1 29 29 ASN HD22 H 1 7.23 0.006 . 1 . . . . 45 ASN HD22 . 6565 1 233 . 1 1 29 29 ASN C C 13 177.8 0.052 . 1 . . . . 45 ASN C . 6565 1 234 . 1 1 29 29 ASN CA C 13 53.1 0.065 . 1 . . . . 45 ASN CA . 6565 1 235 . 1 1 29 29 ASN CB C 13 38.4 0.080 . 1 . . . . 45 ASN CB . 6565 1 236 . 1 1 29 29 ASN N N 15 115.3 0.051 . 1 . . . . 45 ASN N . 6565 1 237 . 1 1 29 29 ASN ND2 N 15 112.9 0.031 . 1 . . . . 45 ASN ND2 . 6565 1 238 . 1 1 30 30 CYS H H 1 9.35 0.006 . 1 . . . . 46 CYS H . 6565 1 239 . 1 1 30 30 CYS HA H 1 4.50 0.014 . 1 . . . . 46 CYS HA . 6565 1 240 . 1 1 30 30 CYS HB2 H 1 3.54 0.018 . 2 . . . . 46 CYS HB2 . 6565 1 241 . 1 1 30 30 CYS HB3 H 1 3.28 0.012 . 2 . . . . 46 CYS HB3 . 6565 1 242 . 1 1 30 30 CYS C C 13 177.0 0.052 . 1 . . . . 46 CYS C . 6565 1 243 . 1 1 30 30 CYS CA C 13 57.3 0.127 . 1 . . . . 46 CYS CA . 6565 1 244 . 1 1 30 30 CYS CB C 13 41.2 0.082 . 1 . . . . 46 CYS CB . 6565 1 245 . 1 1 30 30 CYS N N 15 126.1 0.048 . 1 . . . . 46 CYS N . 6565 1 246 . 1 1 31 31 GLU H H 1 8.64 0.004 . 1 . . . . 47 GLU H . 6565 1 247 . 1 1 31 31 GLU HA H 1 4.34 0.005 . 1 . . . . 47 GLU HA . 6565 1 248 . 1 1 31 31 GLU HB2 H 1 2.17 0.008 . 1 . . . . 47 GLU HB2 . 6565 1 249 . 1 1 31 31 GLU HB3 H 1 2.17 0.008 . 1 . . . . 47 GLU HB3 . 6565 1 250 . 1 1 31 31 GLU HG2 H 1 2.44 0.010 . 2 . . . . 47 GLU HG2 . 6565 1 251 . 1 1 31 31 GLU HG3 H 1 2.34 0.010 . 2 . . . . 47 GLU HG3 . 6565 1 252 . 1 1 31 31 GLU C C 13 177.4 0.052 . 1 . . . . 47 GLU C . 6565 1 253 . 1 1 31 31 GLU CA C 13 58.1 0.062 . 1 . . . . 47 GLU CA . 6565 1 254 . 1 1 31 31 GLU CB C 13 28.7 0.067 . 1 . . . . 47 GLU CB . 6565 1 255 . 1 1 31 31 GLU CG C 13 36.5 0.050 . 1 . . . . 47 GLU CG . 6565 1 256 . 1 1 31 31 GLU N N 15 119.0 0.030 . 1 . . . . 47 GLU N . 6565 1 257 . 1 1 32 32 LEU H H 1 7.20 0.005 . 1 . . . . 48 LEU H . 6565 1 258 . 1 1 32 32 LEU HA H 1 4.40 0.014 . 1 . . . . 48 LEU HA . 6565 1 259 . 1 1 32 32 LEU HB2 H 1 2.01 0.011 . 2 . . . . 48 LEU HB2 . 6565 1 260 . 1 1 32 32 LEU HB3 H 1 1.52 0.013 . 2 . . . . 48 LEU HB3 . 6565 1 261 . 1 1 32 32 LEU HG H 1 1.54 0.006 . 1 . . . . 48 LEU HG . 6565 1 262 . 1 1 32 32 LEU HD11 H 1 0.96 0.013 . 2 . . . . 48 LEU HD1 . 6565 1 263 . 1 1 32 32 LEU HD12 H 1 0.96 0.013 . 2 . . . . 48 LEU HD1 . 6565 1 264 . 1 1 32 32 LEU HD13 H 1 0.96 0.013 . 2 . . . . 48 LEU HD1 . 6565 1 265 . 1 1 32 32 LEU HD21 H 1 0.86 0.007 . 2 . . . . 48 LEU HD2 . 6565 1 266 . 1 1 32 32 LEU HD22 H 1 0.86 0.007 . 2 . . . . 48 LEU HD2 . 6565 1 267 . 1 1 32 32 LEU HD23 H 1 0.86 0.007 . 2 . . . . 48 LEU HD2 . 6565 1 268 . 1 1 32 32 LEU C C 13 174.6 0.052 . 1 . . . . 48 LEU C . 6565 1 269 . 1 1 32 32 LEU CA C 13 53.6 0.067 . 1 . . . . 48 LEU CA . 6565 1 270 . 1 1 32 32 LEU CB C 13 41.9 0.069 . 1 . . . . 48 LEU CB . 6565 1 271 . 1 1 32 32 LEU CG C 13 26.6 0.064 . 1 . . . . 48 LEU CG . 6565 1 272 . 1 1 32 32 LEU CD1 C 13 25.1 0.066 . 2 . . . . 48 LEU CD1 . 6565 1 273 . 1 1 32 32 LEU CD2 C 13 21.6 0.063 . 2 . . . . 48 LEU CD2 . 6565 1 274 . 1 1 32 32 LEU N N 15 117.0 0.042 . 1 . . . . 48 LEU N . 6565 1 275 . 1 1 33 33 PHE H H 1 6.97 0.005 . 1 . . . . 49 PHE H . 6565 1 276 . 1 1 33 33 PHE HA H 1 3.86 0.010 . 1 . . . . 49 PHE HA . 6565 1 277 . 1 1 33 33 PHE HB2 H 1 3.59 0.011 . 2 . . . . 49 PHE HB2 . 6565 1 278 . 1 1 33 33 PHE HB3 H 1 2.31 0.015 . 2 . . . . 49 PHE HB3 . 6565 1 279 . 1 1 33 33 PHE HD1 H 1 6.84 0.013 . 1 . . . . 49 PHE HD1 . 6565 1 280 . 1 1 33 33 PHE HD2 H 1 6.84 0.013 . 1 . . . . 49 PHE HD2 . 6565 1 281 . 1 1 33 33 PHE HE1 H 1 7.24 0.013 . 1 . . . . 49 PHE HE1 . 6565 1 282 . 1 1 33 33 PHE HE2 H 1 7.24 0.013 . 1 . . . . 49 PHE HE2 . 6565 1 283 . 1 1 33 33 PHE HZ H 1 7.13 0.020 . 1 . . . . 49 PHE HZ . 6565 1 284 . 1 1 33 33 PHE C C 13 173.5 0.052 . 1 . . . . 49 PHE C . 6565 1 285 . 1 1 33 33 PHE CA C 13 52.4 0.091 . 1 . . . . 49 PHE CA . 6565 1 286 . 1 1 33 33 PHE CB C 13 38.1 0.106 . 1 . . . . 49 PHE CB . 6565 1 287 . 1 1 33 33 PHE CD1 C 13 129.1 0.108 . 1 . . . . 49 PHE CD1 . 6565 1 288 . 1 1 33 33 PHE CD2 C 13 129.1 0.108 . 1 . . . . 49 PHE CD2 . 6565 1 289 . 1 1 33 33 PHE CE1 C 13 130.4 0.118 . 1 . . . . 49 PHE CE1 . 6565 1 290 . 1 1 33 33 PHE CE2 C 13 130.4 0.118 . 1 . . . . 49 PHE CE2 . 6565 1 291 . 1 1 33 33 PHE CZ C 13 129.0 0.114 . 1 . . . . 49 PHE CZ . 6565 1 292 . 1 1 33 33 PHE N N 15 123.9 0.047 . 1 . . . . 49 PHE N . 6565 1 293 . 1 1 34 34 ASP H H 1 8.83 0.008 . 1 . . . . 50 ASP H . 6565 1 294 . 1 1 34 34 ASP HA H 1 4.25 0.016 . 1 . . . . 50 ASP HA . 6565 1 295 . 1 1 34 34 ASP HB2 H 1 2.81 0.007 . 2 . . . . 50 ASP HB2 . 6565 1 296 . 1 1 34 34 ASP HB3 H 1 2.76 0.012 . 2 . . . . 50 ASP HB3 . 6565 1 297 . 1 1 34 34 ASP C C 13 176.8 0.052 . 1 . . . . 50 ASP C . 6565 1 298 . 1 1 34 34 ASP CA C 13 55.2 0.078 . 1 . . . . 50 ASP CA . 6565 1 299 . 1 1 34 34 ASP CB C 13 41.7 0.055 . 1 . . . . 50 ASP CB . 6565 1 300 . 1 1 34 34 ASP N N 15 129.4 0.047 . 1 . . . . 50 ASP N . 6565 1 301 . 1 1 35 35 CYS H H 1 8.69 0.004 . 1 . . . . 51 CYS H . 6565 1 302 . 1 1 35 35 CYS HA H 1 4.57 0.016 . 1 . . . . 51 CYS HA . 6565 1 303 . 1 1 35 35 CYS HB2 H 1 3.21 0.010 . 2 . . . . 51 CYS HB2 . 6565 1 304 . 1 1 35 35 CYS HB3 H 1 2.80 0.015 . 2 . . . . 51 CYS HB3 . 6565 1 305 . 1 1 35 35 CYS C C 13 176.3 0.052 . 1 . . . . 51 CYS C . 6565 1 306 . 1 1 35 35 CYS CA C 13 53.3 0.103 . 1 . . . . 51 CYS CA . 6565 1 307 . 1 1 35 35 CYS CB C 13 35.9 0.073 . 1 . . . . 51 CYS CB . 6565 1 308 . 1 1 35 35 CYS N N 15 124.2 0.060 . 1 . . . . 51 CYS N . 6565 1 309 . 1 1 36 36 GLU H H 1 8.58 0.004 . 1 . . . . 52 GLU H . 6565 1 310 . 1 1 36 36 GLU HA H 1 4.48 0.009 . 1 . . . . 52 GLU HA . 6565 1 311 . 1 1 36 36 GLU HB2 H 1 2.50 0.007 . 2 . . . . 52 GLU HB2 . 6565 1 312 . 1 1 36 36 GLU HB3 H 1 1.96 0.010 . 2 . . . . 52 GLU HB3 . 6565 1 313 . 1 1 36 36 GLU HG2 H 1 2.36 0.008 . 2 . . . . 52 GLU HG2 . 6565 1 314 . 1 1 36 36 GLU HG3 H 1 2.13 0.011 . 2 . . . . 52 GLU HG3 . 6565 1 315 . 1 1 36 36 GLU C C 13 175.5 0.052 . 1 . . . . 52 GLU C . 6565 1 316 . 1 1 36 36 GLU CA C 13 53.9 0.092 . 1 . . . . 52 GLU CA . 6565 1 317 . 1 1 36 36 GLU CB C 13 29.1 0.048 . 1 . . . . 52 GLU CB . 6565 1 318 . 1 1 36 36 GLU CG C 13 36.3 0.060 . 1 . . . . 52 GLU CG . 6565 1 319 . 1 1 36 36 GLU N N 15 116.7 0.033 . 1 . . . . 52 GLU N . 6565 1 320 . 1 1 37 37 ALA H H 1 7.64 0.004 . 1 . . . . 53 ALA H . 6565 1 321 . 1 1 37 37 ALA HA H 1 4.21 0.009 . 1 . . . . 53 ALA HA . 6565 1 322 . 1 1 37 37 ALA HB1 H 1 1.64 0.012 . 1 . . . . 53 ALA HB . 6565 1 323 . 1 1 37 37 ALA HB2 H 1 1.64 0.012 . 1 . . . . 53 ALA HB . 6565 1 324 . 1 1 37 37 ALA HB3 H 1 1.64 0.012 . 1 . . . . 53 ALA HB . 6565 1 325 . 1 1 37 37 ALA C C 13 178.4 0.052 . 1 . . . . 53 ALA C . 6565 1 326 . 1 1 37 37 ALA CA C 13 53.2 0.084 . 1 . . . . 53 ALA CA . 6565 1 327 . 1 1 37 37 ALA CB C 13 19.6 0.075 . 1 . . . . 53 ALA CB . 6565 1 328 . 1 1 37 37 ALA N N 15 122.3 0.031 . 1 . . . . 53 ALA N . 6565 1 329 . 1 1 38 38 LYS H H 1 8.88 0.004 . 1 . . . . 54 LYS H . 6565 1 330 . 1 1 38 38 LYS HA H 1 5.08 0.015 . 1 . . . . 54 LYS HA . 6565 1 331 . 1 1 38 38 LYS HB2 H 1 1.68 0.012 . 2 . . . . 54 LYS HB2 . 6565 1 332 . 1 1 38 38 LYS HB3 H 1 1.58 0.012 . 2 . . . . 54 LYS HB3 . 6565 1 333 . 1 1 38 38 LYS HG2 H 1 1.39 0.010 . 2 . . . . 54 LYS HG2 . 6565 1 334 . 1 1 38 38 LYS HG3 H 1 0.76 0.011 . 2 . . . . 54 LYS HG3 . 6565 1 335 . 1 1 38 38 LYS HD2 H 1 1.28 0.009 . 1 . . . . 54 LYS HD2 . 6565 1 336 . 1 1 38 38 LYS HD3 H 1 1.28 0.009 . 1 . . . . 54 LYS HD3 . 6565 1 337 . 1 1 38 38 LYS HE2 H 1 2.58 0.007 . 2 . . . . 54 LYS HE2 . 6565 1 338 . 1 1 38 38 LYS HE3 H 1 2.44 0.008 . 2 . . . . 54 LYS HE3 . 6565 1 339 . 1 1 38 38 LYS C C 13 177.5 0.052 . 1 . . . . 54 LYS C . 6565 1 340 . 1 1 38 38 LYS CA C 13 54.4 0.093 . 1 . . . . 54 LYS CA . 6565 1 341 . 1 1 38 38 LYS CB C 13 36.0 0.096 . 1 . . . . 54 LYS CB . 6565 1 342 . 1 1 38 38 LYS CG C 13 24.4 0.086 . 1 . . . . 54 LYS CG . 6565 1 343 . 1 1 38 38 LYS CD C 13 28.6 0.073 . 1 . . . . 54 LYS CD . 6565 1 344 . 1 1 38 38 LYS CE C 13 41.5 0.081 . 1 . . . . 54 LYS CE . 6565 1 345 . 1 1 38 38 LYS N N 15 121.2 0.045 . 1 . . . . 54 LYS N . 6565 1 346 . 1 1 39 39 LYS H H 1 8.96 0.004 . 1 . . . . 55 LYS H . 6565 1 347 . 1 1 39 39 LYS HA H 1 4.63 0.014 . 1 . . . . 55 LYS HA . 6565 1 348 . 1 1 39 39 LYS HB2 H 1 1.84 0.025 . 1 . . . . 55 LYS HB2 . 6565 1 349 . 1 1 39 39 LYS HB3 H 1 1.84 0.025 . 1 . . . . 55 LYS HB3 . 6565 1 350 . 1 1 39 39 LYS HG2 H 1 1.46 0.018 . 2 . . . . 55 LYS HG2 . 6565 1 351 . 1 1 39 39 LYS HG3 H 1 1.34 0.019 . 2 . . . . 55 LYS HG3 . 6565 1 352 . 1 1 39 39 LYS HD2 H 1 1.76 0.009 . 1 . . . . 55 LYS HD2 . 6565 1 353 . 1 1 39 39 LYS HD3 H 1 1.76 0.009 . 1 . . . . 55 LYS HD3 . 6565 1 354 . 1 1 39 39 LYS HE2 H 1 3.08 0.008 . 1 . . . . 55 LYS HE2 . 6565 1 355 . 1 1 39 39 LYS HE3 H 1 3.08 0.008 . 1 . . . . 55 LYS HE3 . 6565 1 356 . 1 1 39 39 LYS CA C 13 54.9 0.119 . 1 . . . . 55 LYS CA . 6565 1 357 . 1 1 39 39 LYS CB C 13 31.3 0.071 . 1 . . . . 55 LYS CB . 6565 1 358 . 1 1 39 39 LYS CG C 13 25.7 0.068 . 1 . . . . 55 LYS CG . 6565 1 359 . 1 1 39 39 LYS CD C 13 28.7 0.042 . 1 . . . . 55 LYS CD . 6565 1 360 . 1 1 39 39 LYS CE C 13 41.6 0.128 . 1 . . . . 55 LYS CE . 6565 1 361 . 1 1 39 39 LYS N N 15 121.5 0.025 . 1 . . . . 55 LYS N . 6565 1 362 . 1 1 40 40 PRO HA H 1 4.34 0.010 . 1 . . . . 56 PRO HA . 6565 1 363 . 1 1 40 40 PRO HB2 H 1 2.44 0.010 . 2 . . . . 56 PRO HB2 . 6565 1 364 . 1 1 40 40 PRO HB3 H 1 1.94 0.013 . 2 . . . . 56 PRO HB3 . 6565 1 365 . 1 1 40 40 PRO HG2 H 1 2.17 0.014 . 2 . . . . 56 PRO HG2 . 6565 1 366 . 1 1 40 40 PRO HG3 H 1 2.05 0.008 . 2 . . . . 56 PRO HG3 . 6565 1 367 . 1 1 40 40 PRO HD2 H 1 3.95 0.014 . 2 . . . . 56 PRO HD2 . 6565 1 368 . 1 1 40 40 PRO HD3 H 1 3.82 0.006 . 2 . . . . 56 PRO HD3 . 6565 1 369 . 1 1 40 40 PRO C C 13 176.4 0.052 . 1 . . . . 56 PRO C . 6565 1 370 . 1 1 40 40 PRO CA C 13 65.2 0.085 . 1 . . . . 56 PRO CA . 6565 1 371 . 1 1 40 40 PRO CB C 13 31.4 0.093 . 1 . . . . 56 PRO CB . 6565 1 372 . 1 1 40 40 PRO CG C 13 27.5 0.050 . 1 . . . . 56 PRO CG . 6565 1 373 . 1 1 40 40 PRO CD C 13 50.5 0.188 . 1 . . . . 56 PRO CD . 6565 1 374 . 1 1 41 41 ASP H H 1 7.41 0.004 . 1 . . . . 57 ASP H . 6565 1 375 . 1 1 41 41 ASP HA H 1 4.47 0.011 . 1 . . . . 57 ASP HA . 6565 1 376 . 1 1 41 41 ASP HB2 H 1 3.09 0.011 . 2 . . . . 57 ASP HB2 . 6565 1 377 . 1 1 41 41 ASP HB3 H 1 2.60 0.013 . 2 . . . . 57 ASP HB3 . 6565 1 378 . 1 1 41 41 ASP C C 13 176.9 0.052 . 1 . . . . 57 ASP C . 6565 1 379 . 1 1 41 41 ASP CA C 13 53.2 0.054 . 1 . . . . 57 ASP CA . 6565 1 380 . 1 1 41 41 ASP CB C 13 39.3 0.121 . 1 . . . . 57 ASP CB . 6565 1 381 . 1 1 41 41 ASP N N 15 112.5 0.042 . 1 . . . . 57 ASP N . 6565 1 382 . 1 1 42 42 GLY H H 1 8.37 0.003 . 1 . . . . 58 GLY H . 6565 1 383 . 1 1 42 42 GLY HA2 H 1 4.32 0.007 . 2 . . . . 58 GLY HA2 . 6565 1 384 . 1 1 42 42 GLY HA3 H 1 3.51 0.013 . 2 . . . . 58 GLY HA3 . 6565 1 385 . 1 1 42 42 GLY C C 13 173.6 0.052 . 1 . . . . 58 GLY C . 6565 1 386 . 1 1 42 42 GLY CA C 13 44.6 0.060 . 1 . . . . 58 GLY CA . 6565 1 387 . 1 1 42 42 GLY N N 15 108.9 0.044 . 1 . . . . 58 GLY N . 6565 1 388 . 1 1 43 43 SER H H 1 8.23 0.004 . 1 . . . . 59 SER H . 6565 1 389 . 1 1 43 43 SER HA H 1 4.29 0.008 . 1 . . . . 59 SER HA . 6565 1 390 . 1 1 43 43 SER HB2 H 1 4.00 0.009 . 2 . . . . 59 SER HB2 . 6565 1 391 . 1 1 43 43 SER HB3 H 1 3.90 0.008 . 2 . . . . 59 SER HB3 . 6565 1 392 . 1 1 43 43 SER C C 13 173.6 0.052 . 1 . . . . 59 SER C . 6565 1 393 . 1 1 43 43 SER CA C 13 57.7 0.064 . 1 . . . . 59 SER CA . 6565 1 394 . 1 1 43 43 SER CB C 13 63.6 0.077 . 1 . . . . 59 SER CB . 6565 1 395 . 1 1 43 43 SER N N 15 117.4 0.034 . 1 . . . . 59 SER N . 6565 1 396 . 1 1 44 44 TYR H H 1 8.65 0.003 . 1 . . . . 60 TYR H . 6565 1 397 . 1 1 44 44 TYR HA H 1 4.54 0.009 . 1 . . . . 60 TYR HA . 6565 1 398 . 1 1 44 44 TYR HB2 H 1 3.53 0.010 . 2 . . . . 60 TYR HB2 . 6565 1 399 . 1 1 44 44 TYR HB3 H 1 2.76 0.014 . 2 . . . . 60 TYR HB3 . 6565 1 400 . 1 1 44 44 TYR HD1 H 1 7.19 0.009 . 1 . . . . 60 TYR HD1 . 6565 1 401 . 1 1 44 44 TYR HD2 H 1 7.19 0.009 . 1 . . . . 60 TYR HD2 . 6565 1 402 . 1 1 44 44 TYR HE1 H 1 6.77 0.008 . 1 . . . . 60 TYR HE1 . 6565 1 403 . 1 1 44 44 TYR HE2 H 1 6.77 0.008 . 1 . . . . 60 TYR HE2 . 6565 1 404 . 1 1 44 44 TYR C C 13 177.0 0.052 . 1 . . . . 60 TYR C . 6565 1 405 . 1 1 44 44 TYR CA C 13 60.9 0.082 . 1 . . . . 60 TYR CA . 6565 1 406 . 1 1 44 44 TYR CB C 13 37.1 0.136 . 1 . . . . 60 TYR CB . 6565 1 407 . 1 1 44 44 TYR CD1 C 13 132.8 0.099 . 1 . . . . 60 TYR CD1 . 6565 1 408 . 1 1 44 44 TYR CD2 C 13 132.8 0.099 . 1 . . . . 60 TYR CD2 . 6565 1 409 . 1 1 44 44 TYR CE1 C 13 117.7 0.083 . 1 . . . . 60 TYR CE1 . 6565 1 410 . 1 1 44 44 TYR CE2 C 13 117.7 0.083 . 1 . . . . 60 TYR CE2 . 6565 1 411 . 1 1 44 44 TYR N N 15 119.3 0.040 . 1 . . . . 60 TYR N . 6565 1 412 . 1 1 45 45 ALA H H 1 8.63 0.004 . 1 . . . . 61 ALA H . 6565 1 413 . 1 1 45 45 ALA HA H 1 4.16 0.012 . 1 . . . . 61 ALA HA . 6565 1 414 . 1 1 45 45 ALA HB1 H 1 1.45 0.010 . 1 . . . . 61 ALA HB . 6565 1 415 . 1 1 45 45 ALA HB2 H 1 1.45 0.010 . 1 . . . . 61 ALA HB . 6565 1 416 . 1 1 45 45 ALA HB3 H 1 1.45 0.010 . 1 . . . . 61 ALA HB . 6565 1 417 . 1 1 45 45 ALA C C 13 177.2 0.052 . 1 . . . . 61 ALA C . 6565 1 418 . 1 1 45 45 ALA CA C 13 52.7 0.066 . 1 . . . . 61 ALA CA . 6565 1 419 . 1 1 45 45 ALA CB C 13 21.0 0.079 . 1 . . . . 61 ALA CB . 6565 1 420 . 1 1 45 45 ALA N N 15 125.2 0.020 . 1 . . . . 61 ALA N . 6565 1 421 . 1 1 46 46 HIS H H 1 9.74 0.004 . 1 . . . . 62 HIS H . 6565 1 422 . 1 1 46 46 HIS HA H 1 3.69 0.015 . 1 . . . . 62 HIS HA . 6565 1 423 . 1 1 46 46 HIS HB2 H 1 2.90 0.012 . 2 . . . . 62 HIS HB2 . 6565 1 424 . 1 1 46 46 HIS HB3 H 1 2.69 0.021 . 2 . . . . 62 HIS HB3 . 6565 1 425 . 1 1 46 46 HIS HD2 H 1 6.76 0.009 . 1 . . . . 62 HIS HD2 . 6565 1 426 . 1 1 46 46 HIS HE1 H 1 7.56 0.004 . 1 . . . . 62 HIS HE1 . 6565 1 427 . 1 1 46 46 HIS HE2 H 1 11.23 0.006 . 1 . . . . 62 HIS HE2 . 6565 1 428 . 1 1 46 46 HIS CA C 13 55.9 0.095 . 1 . . . . 62 HIS CA . 6565 1 429 . 1 1 46 46 HIS CB C 13 31.0 0.113 . 1 . . . . 62 HIS CB . 6565 1 430 . 1 1 46 46 HIS CD2 C 13 119.7 0.125 . 1 . . . . 62 HIS CD2 . 6565 1 431 . 1 1 46 46 HIS CE1 C 13 137.4 0.069 . 1 . . . . 62 HIS CE1 . 6565 1 432 . 1 1 46 46 HIS N N 15 123.5 0.036 . 1 . . . . 62 HIS N . 6565 1 433 . 1 1 46 46 HIS NE2 N 15 163.4 0.074 . 1 . . . . 62 HIS NE2 . 6565 1 434 . 1 1 47 47 PRO HA H 1 4.50 0.009 . 1 . . . . 63 PRO HA . 6565 1 435 . 1 1 47 47 PRO HB2 H 1 2.48 0.012 . 2 . . . . 63 PRO HB2 . 6565 1 436 . 1 1 47 47 PRO HB3 H 1 1.98 0.013 . 2 . . . . 63 PRO HB3 . 6565 1 437 . 1 1 47 47 PRO HG2 H 1 2.12 0.031 . 1 . . . . 63 PRO HG2 . 6565 1 438 . 1 1 47 47 PRO HG3 H 1 2.12 0.031 . 1 . . . . 63 PRO HG3 . 6565 1 439 . 1 1 47 47 PRO HD2 H 1 3.57 0.024 . 2 . . . . 63 PRO HD2 . 6565 1 440 . 1 1 47 47 PRO HD3 H 1 2.94 0.014 . 2 . . . . 63 PRO HD3 . 6565 1 441 . 1 1 47 47 PRO C C 13 177.5 0.052 . 1 . . . . 63 PRO C . 6565 1 442 . 1 1 47 47 PRO CA C 13 63.8 0.110 . 1 . . . . 63 PRO CA . 6565 1 443 . 1 1 47 47 PRO CB C 13 31.8 0.077 . 1 . . . . 63 PRO CB . 6565 1 444 . 1 1 47 47 PRO CG C 13 27.6 0.260 . 1 . . . . 63 PRO CG . 6565 1 445 . 1 1 47 47 PRO CD C 13 50.4 0.129 . 1 . . . . 63 PRO CD . 6565 1 446 . 1 1 48 48 CYS H H 1 10.34 0.004 . 1 . . . . 64 CYS H . 6565 1 447 . 1 1 48 48 CYS HA H 1 4.30 0.013 . 1 . . . . 64 CYS HA . 6565 1 448 . 1 1 48 48 CYS HB2 H 1 3.55 0.026 . 2 . . . . 64 CYS HB2 . 6565 1 449 . 1 1 48 48 CYS HB3 H 1 2.68 0.014 . 2 . . . . 64 CYS HB3 . 6565 1 450 . 1 1 48 48 CYS C C 13 172.3 0.052 . 1 . . . . 64 CYS C . 6565 1 451 . 1 1 48 48 CYS CA C 13 52.1 0.093 . 1 . . . . 64 CYS CA . 6565 1 452 . 1 1 48 48 CYS CB C 13 44.8 0.141 . 1 . . . . 64 CYS CB . 6565 1 453 . 1 1 48 48 CYS N N 15 117.4 0.039 . 1 . . . . 64 CYS N . 6565 1 454 . 1 1 49 49 ARG H H 1 6.94 0.004 . 1 . . . . 65 ARG H . 6565 1 455 . 1 1 49 49 ARG HA H 1 4.51 0.017 . 1 . . . . 65 ARG HA . 6565 1 456 . 1 1 49 49 ARG HB2 H 1 1.68 0.016 . 1 . . . . 65 ARG HB2 . 6565 1 457 . 1 1 49 49 ARG HB3 H 1 1.68 0.016 . 1 . . . . 65 ARG HB3 . 6565 1 458 . 1 1 49 49 ARG HG2 H 1 1.07 0.016 . 2 . . . . 65 ARG HG2 . 6565 1 459 . 1 1 49 49 ARG HG3 H 1 0.99 0.030 . 2 . . . . 65 ARG HG3 . 6565 1 460 . 1 1 49 49 ARG HD2 H 1 2.77 0.010 . 2 . . . . 65 ARG HD2 . 6565 1 461 . 1 1 49 49 ARG HD3 H 1 2.51 0.016 . 2 . . . . 65 ARG HD3 . 6565 1 462 . 1 1 49 49 ARG HE H 1 6.11 0.006 . 1 . . . . 65 ARG HE . 6565 1 463 . 1 1 49 49 ARG C C 13 176.2 0.052 . 1 . . . . 65 ARG C . 6565 1 464 . 1 1 49 49 ARG CA C 13 57.2 0.097 . 1 . . . . 65 ARG CA . 6565 1 465 . 1 1 49 49 ARG CB C 13 29.8 0.170 . 1 . . . . 65 ARG CB . 6565 1 466 . 1 1 49 49 ARG CG C 13 27.8 0.129 . 1 . . . . 65 ARG CG . 6565 1 467 . 1 1 49 49 ARG CD C 13 43.1 0.206 . 1 . . . . 65 ARG CD . 6565 1 468 . 1 1 49 49 ARG CZ C 13 157.4 0.052 . 1 . . . . 65 ARG CZ . 6565 1 469 . 1 1 49 49 ARG N N 15 120.2 0.023 . 1 . . . . 65 ARG N . 6565 1 470 . 1 1 49 49 ARG NE N 15 84.4 0.059 . 1 . . . . 65 ARG NE . 6565 1 471 . 1 1 50 50 ARG H H 1 9.11 0.004 . 1 . . . . 66 ARG H . 6565 1 472 . 1 1 50 50 ARG HA H 1 4.68 0.014 . 1 . . . . 66 ARG HA . 6565 1 473 . 1 1 50 50 ARG HB2 H 1 1.74 0.019 . 1 . . . . 66 ARG HB2 . 6565 1 474 . 1 1 50 50 ARG HB3 H 1 1.74 0.019 . 1 . . . . 66 ARG HB3 . 6565 1 475 . 1 1 50 50 ARG HG2 H 1 1.53 0.016 . 2 . . . . 66 ARG HG2 . 6565 1 476 . 1 1 50 50 ARG HG3 H 1 1.47 0.023 . 2 . . . . 66 ARG HG3 . 6565 1 477 . 1 1 50 50 ARG HD2 H 1 3.42 0.012 . 2 . . . . 66 ARG HD2 . 6565 1 478 . 1 1 50 50 ARG HD3 H 1 3.10 0.011 . 2 . . . . 66 ARG HD3 . 6565 1 479 . 1 1 50 50 ARG HE H 1 7.42 0.006 . 1 . . . . 66 ARG HE . 6565 1 480 . 1 1 50 50 ARG HH11 H 1 6.81 0.031 . 1 . . . . 66 ARG HH11 . 6565 1 481 . 1 1 50 50 ARG HH12 H 1 6.81 0.031 . 1 . . . . 66 ARG HH12 . 6565 1 482 . 1 1 50 50 ARG HH21 H 1 6.59 0.031 . 1 . . . . 66 ARG HH21 . 6565 1 483 . 1 1 50 50 ARG HH22 H 1 6.59 0.031 . 1 . . . . 66 ARG HH22 . 6565 1 484 . 1 1 50 50 ARG C C 13 175.1 0.052 . 1 . . . . 66 ARG C . 6565 1 485 . 1 1 50 50 ARG CA C 13 53.6 0.061 . 1 . . . . 66 ARG CA . 6565 1 486 . 1 1 50 50 ARG CB C 13 33.7 0.100 . 1 . . . . 66 ARG CB . 6565 1 487 . 1 1 50 50 ARG CG C 13 26.2 0.185 . 1 . . . . 66 ARG CG . 6565 1 488 . 1 1 50 50 ARG CD C 13 42.8 0.095 . 1 . . . . 66 ARG CD . 6565 1 489 . 1 1 50 50 ARG CZ C 13 159.5 0.052 . 1 . . . . 66 ARG CZ . 6565 1 490 . 1 1 50 50 ARG N N 15 130.4 0.043 . 1 . . . . 66 ARG N . 6565 1 491 . 1 1 50 50 ARG NE N 15 85.6 0.067 . 1 . . . . 66 ARG NE . 6565 1 492 . 1 1 51 51 CYS H H 1 8.89 0.004 . 1 . . . . 67 CYS H . 6565 1 493 . 1 1 51 51 CYS HA H 1 5.38 0.014 . 1 . . . . 67 CYS HA . 6565 1 494 . 1 1 51 51 CYS HB2 H 1 3.03 0.012 . 2 . . . . 67 CYS HB2 . 6565 1 495 . 1 1 51 51 CYS HB3 H 1 2.63 0.010 . 2 . . . . 67 CYS HB3 . 6565 1 496 . 1 1 51 51 CYS C C 13 173.7 0.052 . 1 . . . . 67 CYS C . 6565 1 497 . 1 1 51 51 CYS CA C 13 54.5 0.057 . 1 . . . . 67 CYS CA . 6565 1 498 . 1 1 51 51 CYS CB C 13 48.4 0.049 . 1 . . . . 67 CYS CB . 6565 1 499 . 1 1 51 51 CYS N N 15 121.9 0.024 . 1 . . . . 67 CYS N . 6565 1 500 . 1 1 52 52 ASP H H 1 8.31 0.004 . 1 . . . . 68 ASP H . 6565 1 501 . 1 1 52 52 ASP HA H 1 4.69 0.011 . 1 . . . . 68 ASP HA . 6565 1 502 . 1 1 52 52 ASP HB2 H 1 3.31 0.009 . 2 . . . . 68 ASP HB2 . 6565 1 503 . 1 1 52 52 ASP HB3 H 1 2.74 0.016 . 2 . . . . 68 ASP HB3 . 6565 1 504 . 1 1 52 52 ASP C C 13 177.6 0.052 . 1 . . . . 68 ASP C . 6565 1 505 . 1 1 52 52 ASP CA C 13 52.0 0.107 . 1 . . . . 68 ASP CA . 6565 1 506 . 1 1 52 52 ASP CB C 13 41.3 0.115 . 1 . . . . 68 ASP CB . 6565 1 507 . 1 1 52 52 ASP N N 15 123.8 0.018 . 1 . . . . 68 ASP N . 6565 1 508 . 1 1 53 53 ALA H H 1 8.31 0.003 . 1 . . . . 69 ALA H . 6565 1 509 . 1 1 53 53 ALA HA H 1 4.16 0.014 . 1 . . . . 69 ALA HA . 6565 1 510 . 1 1 53 53 ALA HB1 H 1 1.42 0.017 . 1 . . . . 69 ALA HB . 6565 1 511 . 1 1 53 53 ALA HB2 H 1 1.42 0.017 . 1 . . . . 69 ALA HB . 6565 1 512 . 1 1 53 53 ALA HB3 H 1 1.42 0.017 . 1 . . . . 69 ALA HB . 6565 1 513 . 1 1 53 53 ALA C C 13 177.8 0.052 . 1 . . . . 69 ALA C . 6565 1 514 . 1 1 53 53 ALA CA C 13 53.8 0.083 . 1 . . . . 69 ALA CA . 6565 1 515 . 1 1 53 53 ALA CB C 13 18.2 0.070 . 1 . . . . 69 ALA CB . 6565 1 516 . 1 1 53 53 ALA N N 15 119.7 0.037 . 1 . . . . 69 ALA N . 6565 1 517 . 1 1 54 54 ASN H H 1 8.29 0.004 . 1 . . . . 70 ASN H . 6565 1 518 . 1 1 54 54 ASN HA H 1 4.83 0.017 . 1 . . . . 70 ASN HA . 6565 1 519 . 1 1 54 54 ASN HB2 H 1 2.96 0.014 . 2 . . . . 70 ASN HB2 . 6565 1 520 . 1 1 54 54 ASN HB3 H 1 2.75 0.020 . 2 . . . . 70 ASN HB3 . 6565 1 521 . 1 1 54 54 ASN HD21 H 1 7.79 0.004 . 1 . . . . 70 ASN HD21 . 6565 1 522 . 1 1 54 54 ASN HD22 H 1 6.90 0.002 . 1 . . . . 70 ASN HD22 . 6565 1 523 . 1 1 54 54 ASN C C 13 174.0 0.052 . 1 . . . . 70 ASN C . 6565 1 524 . 1 1 54 54 ASN CA C 13 52.2 0.083 . 1 . . . . 70 ASN CA . 6565 1 525 . 1 1 54 54 ASN CB C 13 38.6 0.114 . 1 . . . . 70 ASN CB . 6565 1 526 . 1 1 54 54 ASN N N 15 115.7 0.019 . 1 . . . . 70 ASN N . 6565 1 527 . 1 1 54 54 ASN ND2 N 15 114.4 0.069 . 1 . . . . 70 ASN ND2 . 6565 1 528 . 1 1 55 55 ASN H H 1 8.31 0.004 . 1 . . . . 71 ASN H . 6565 1 529 . 1 1 55 55 ASN HA H 1 4.11 0.011 . 1 . . . . 71 ASN HA . 6565 1 530 . 1 1 55 55 ASN HB2 H 1 3.16 0.011 . 2 . . . . 71 ASN HB2 . 6565 1 531 . 1 1 55 55 ASN HB3 H 1 2.74 0.012 . 2 . . . . 71 ASN HB3 . 6565 1 532 . 1 1 55 55 ASN HD21 H 1 7.52 0.002 . 1 . . . . 71 ASN HD21 . 6565 1 533 . 1 1 55 55 ASN HD22 H 1 6.73 0.004 . 1 . . . . 71 ASN HD22 . 6565 1 534 . 1 1 55 55 ASN C C 13 173.2 0.052 . 1 . . . . 71 ASN C . 6565 1 535 . 1 1 55 55 ASN CA C 13 54.5 0.086 . 1 . . . . 71 ASN CA . 6565 1 536 . 1 1 55 55 ASN CB C 13 36.9 0.076 . 1 . . . . 71 ASN CB . 6565 1 537 . 1 1 55 55 ASN N N 15 114.5 0.048 . 1 . . . . 71 ASN N . 6565 1 538 . 1 1 55 55 ASN ND2 N 15 111.9 0.036 . 1 . . . . 71 ASN ND2 . 6565 1 539 . 1 1 56 56 ILE H H 1 8.18 0.006 . 1 . . . . 72 ILE H . 6565 1 540 . 1 1 56 56 ILE HA H 1 4.14 0.013 . 1 . . . . 72 ILE HA . 6565 1 541 . 1 1 56 56 ILE HB H 1 2.21 0.011 . 1 . . . . 72 ILE HB . 6565 1 542 . 1 1 56 56 ILE HG12 H 1 1.41 0.013 . 2 . . . . 72 ILE HG12 . 6565 1 543 . 1 1 56 56 ILE HG13 H 1 1.19 0.012 . 2 . . . . 72 ILE HG13 . 6565 1 544 . 1 1 56 56 ILE HG21 H 1 0.79 0.008 . 1 . . . . 72 ILE HG2 . 6565 1 545 . 1 1 56 56 ILE HG22 H 1 0.79 0.008 . 1 . . . . 72 ILE HG2 . 6565 1 546 . 1 1 56 56 ILE HG23 H 1 0.79 0.008 . 1 . . . . 72 ILE HG2 . 6565 1 547 . 1 1 56 56 ILE HD11 H 1 0.79 0.010 . 1 . . . . 72 ILE HD1 . 6565 1 548 . 1 1 56 56 ILE HD12 H 1 0.79 0.010 . 1 . . . . 72 ILE HD1 . 6565 1 549 . 1 1 56 56 ILE HD13 H 1 0.79 0.010 . 1 . . . . 72 ILE HD1 . 6565 1 550 . 1 1 56 56 ILE C C 13 177.1 0.052 . 1 . . . . 72 ILE C . 6565 1 551 . 1 1 56 56 ILE CA C 13 60.1 0.087 . 1 . . . . 72 ILE CA . 6565 1 552 . 1 1 56 56 ILE CB C 13 34.9 0.043 . 1 . . . . 72 ILE CB . 6565 1 553 . 1 1 56 56 ILE CG1 C 13 26.5 0.070 . 1 . . . . 72 ILE CG1 . 6565 1 554 . 1 1 56 56 ILE CG2 C 13 17.0 0.060 . 1 . . . . 72 ILE CG2 . 6565 1 555 . 1 1 56 56 ILE CD1 C 13 10.6 0.064 . 1 . . . . 72 ILE CD1 . 6565 1 556 . 1 1 56 56 ILE N N 15 120.0 0.034 . 1 . . . . 72 ILE N . 6565 1 557 . 1 1 57 57 CYS H H 1 8.82 0.004 . 1 . . . . 73 CYS H . 6565 1 558 . 1 1 57 57 CYS HA H 1 5.49 0.014 . 1 . . . . 73 CYS HA . 6565 1 559 . 1 1 57 57 CYS HB2 H 1 2.86 0.009 . 2 . . . . 73 CYS HB2 . 6565 1 560 . 1 1 57 57 CYS HB3 H 1 2.17 0.018 . 2 . . . . 73 CYS HB3 . 6565 1 561 . 1 1 57 57 CYS C C 13 173.1 0.052 . 1 . . . . 73 CYS C . 6565 1 562 . 1 1 57 57 CYS CA C 13 54.9 0.069 . 1 . . . . 73 CYS CA . 6565 1 563 . 1 1 57 57 CYS CB C 13 47.0 0.045 . 1 . . . . 73 CYS CB . 6565 1 564 . 1 1 57 57 CYS N N 15 128.5 0.028 . 1 . . . . 73 CYS N . 6565 1 565 . 1 1 58 58 LYS H H 1 8.60 0.003 . 1 . . . . 74 LYS H . 6565 1 566 . 1 1 58 58 LYS HA H 1 4.58 0.009 . 1 . . . . 74 LYS HA . 6565 1 567 . 1 1 58 58 LYS HB2 H 1 1.82 0.011 . 2 . . . . 74 LYS HB2 . 6565 1 568 . 1 1 58 58 LYS HB3 H 1 1.77 0.017 . 2 . . . . 74 LYS HB3 . 6565 1 569 . 1 1 58 58 LYS HG2 H 1 1.36 0.008 . 1 . . . . 74 LYS HG2 . 6565 1 570 . 1 1 58 58 LYS HG3 H 1 1.36 0.008 . 1 . . . . 74 LYS HG3 . 6565 1 571 . 1 1 58 58 LYS HD2 H 1 1.67 0.006 . 2 . . . . 74 LYS HD2 . 6565 1 572 . 1 1 58 58 LYS HD3 H 1 1.61 0.008 . 2 . . . . 74 LYS HD3 . 6565 1 573 . 1 1 58 58 LYS HE2 H 1 2.88 0.009 . 1 . . . . 74 LYS HE2 . 6565 1 574 . 1 1 58 58 LYS HE3 H 1 2.88 0.009 . 1 . . . . 74 LYS HE3 . 6565 1 575 . 1 1 58 58 LYS C C 13 174.9 0.052 . 1 . . . . 74 LYS C . 6565 1 576 . 1 1 58 58 LYS CA C 13 54.5 0.077 . 1 . . . . 74 LYS CA . 6565 1 577 . 1 1 58 58 LYS CB C 13 35.9 0.019 . 1 . . . . 74 LYS CB . 6565 1 578 . 1 1 58 58 LYS CG C 13 24.2 0.050 . 1 . . . . 74 LYS CG . 6565 1 579 . 1 1 58 58 LYS CD C 13 28.6 0.064 . 1 . . . . 74 LYS CD . 6565 1 580 . 1 1 58 58 LYS CE C 13 41.6 0.039 . 1 . . . . 74 LYS CE . 6565 1 581 . 1 1 58 58 LYS N N 15 121.7 0.029 . 1 . . . . 74 LYS N . 6565 1 582 . 1 1 59 59 CYS H H 1 8.69 0.004 . 1 . . . . 75 CYS H . 6565 1 583 . 1 1 59 59 CYS HA H 1 4.62 0.010 . 1 . . . . 75 CYS HA . 6565 1 584 . 1 1 59 59 CYS HB2 H 1 2.29 0.010 . 2 . . . . 75 CYS HB2 . 6565 1 585 . 1 1 59 59 CYS HB3 H 1 1.18 0.010 . 2 . . . . 75 CYS HB3 . 6565 1 586 . 1 1 59 59 CYS C C 13 173.6 0.052 . 1 . . . . 75 CYS C . 6565 1 587 . 1 1 59 59 CYS CA C 13 56.7 0.130 . 1 . . . . 75 CYS CA . 6565 1 588 . 1 1 59 59 CYS CB C 13 35.5 0.082 . 1 . . . . 75 CYS CB . 6565 1 589 . 1 1 59 59 CYS N N 15 117.2 0.043 . 1 . . . . 75 CYS N . 6565 1 590 . 1 1 60 60 SER H H 1 6.96 0.004 . 1 . . . . 76 SER H . 6565 1 591 . 1 1 60 60 SER HA H 1 4.52 0.010 . 1 . . . . 76 SER HA . 6565 1 592 . 1 1 60 60 SER HB2 H 1 3.94 0.008 . 2 . . . . 76 SER HB2 . 6565 1 593 . 1 1 60 60 SER HB3 H 1 3.64 0.010 . 2 . . . . 76 SER HB3 . 6565 1 594 . 1 1 60 60 SER CA C 13 56.7 0.108 . 1 . . . . 76 SER CA . 6565 1 595 . 1 1 60 60 SER CB C 13 62.2 0.047 . 1 . . . . 76 SER CB . 6565 1 596 . 1 1 60 60 SER N N 15 112.6 0.021 . 1 . . . . 76 SER N . 6565 1 597 . 1 1 61 61 CYS HA H 1 4.76 0.016 . 1 . . . . 77 CYS HA . 6565 1 598 . 1 1 61 61 CYS HB2 H 1 3.53 0.006 . 2 . . . . 77 CYS HB2 . 6565 1 599 . 1 1 61 61 CYS HB3 H 1 3.08 0.011 . 2 . . . . 77 CYS HB3 . 6565 1 600 . 1 1 61 61 CYS C C 13 176.6 0.052 . 1 . . . . 77 CYS C . 6565 1 601 . 1 1 61 61 CYS CA C 13 56.6 0.084 . 1 . . . . 77 CYS CA . 6565 1 602 . 1 1 61 61 CYS CB C 13 41.2 0.075 . 1 . . . . 77 CYS CB . 6565 1 603 . 1 1 62 62 THR H H 1 7.89 0.007 . 1 . . . . 78 THR H . 6565 1 604 . 1 1 62 62 THR HA H 1 4.43 0.009 . 1 . . . . 78 THR HA . 6565 1 605 . 1 1 62 62 THR HB H 1 4.33 0.010 . 1 . . . . 78 THR HB . 6565 1 606 . 1 1 62 62 THR HG21 H 1 1.25 0.010 . 1 . . . . 78 THR HG2 . 6565 1 607 . 1 1 62 62 THR HG22 H 1 1.25 0.010 . 1 . . . . 78 THR HG2 . 6565 1 608 . 1 1 62 62 THR HG23 H 1 1.25 0.010 . 1 . . . . 78 THR HG2 . 6565 1 609 . 1 1 62 62 THR C C 13 175.4 0.052 . 1 . . . . 78 THR C . 6565 1 610 . 1 1 62 62 THR CA C 13 62.6 0.066 . 1 . . . . 78 THR CA . 6565 1 611 . 1 1 62 62 THR CB C 13 68.0 0.051 . 1 . . . . 78 THR CB . 6565 1 612 . 1 1 62 62 THR CG2 C 13 21.8 0.036 . 1 . . . . 78 THR CG2 . 6565 1 613 . 1 1 62 62 THR N N 15 109.7 0.053 . 1 . . . . 78 THR N . 6565 1 614 . 1 1 63 63 ALA H H 1 7.32 0.005 . 1 . . . . 79 ALA H . 6565 1 615 . 1 1 63 63 ALA HA H 1 4.22 0.014 . 1 . . . . 79 ALA HA . 6565 1 616 . 1 1 63 63 ALA HB1 H 1 1.39 0.013 . 1 . . . . 79 ALA HB . 6565 1 617 . 1 1 63 63 ALA HB2 H 1 1.39 0.013 . 1 . . . . 79 ALA HB . 6565 1 618 . 1 1 63 63 ALA HB3 H 1 1.39 0.013 . 1 . . . . 79 ALA HB . 6565 1 619 . 1 1 63 63 ALA C C 13 177.1 0.052 . 1 . . . . 79 ALA C . 6565 1 620 . 1 1 63 63 ALA CA C 13 52.5 0.043 . 1 . . . . 79 ALA CA . 6565 1 621 . 1 1 63 63 ALA CB C 13 18.7 0.099 . 1 . . . . 79 ALA CB . 6565 1 622 . 1 1 63 63 ALA N N 15 122.8 0.046 . 1 . . . . 79 ALA N . 6565 1 623 . 1 1 64 64 ILE H H 1 6.82 0.004 . 1 . . . . 80 ILE H . 6565 1 624 . 1 1 64 64 ILE HA H 1 4.31 0.015 . 1 . . . . 80 ILE HA . 6565 1 625 . 1 1 64 64 ILE HB H 1 1.76 0.008 . 1 . . . . 80 ILE HB . 6565 1 626 . 1 1 64 64 ILE HG12 H 1 1.82 0.013 . 2 . . . . 80 ILE HG12 . 6565 1 627 . 1 1 64 64 ILE HG13 H 1 0.81 0.018 . 2 . . . . 80 ILE HG13 . 6565 1 628 . 1 1 64 64 ILE HG21 H 1 0.91 0.015 . 1 . . . . 80 ILE HG2 . 6565 1 629 . 1 1 64 64 ILE HG22 H 1 0.91 0.015 . 1 . . . . 80 ILE HG2 . 6565 1 630 . 1 1 64 64 ILE HG23 H 1 0.91 0.015 . 1 . . . . 80 ILE HG2 . 6565 1 631 . 1 1 64 64 ILE HD11 H 1 0.70 0.009 . 1 . . . . 80 ILE HD1 . 6565 1 632 . 1 1 64 64 ILE HD12 H 1 0.70 0.009 . 1 . . . . 80 ILE HD1 . 6565 1 633 . 1 1 64 64 ILE HD13 H 1 0.70 0.009 . 1 . . . . 80 ILE HD1 . 6565 1 634 . 1 1 64 64 ILE CA C 13 58.1 0.122 . 1 . . . . 80 ILE CA . 6565 1 635 . 1 1 64 64 ILE CB C 13 39.3 0.119 . 1 . . . . 80 ILE CB . 6565 1 636 . 1 1 64 64 ILE CG1 C 13 26.7 0.072 . 1 . . . . 80 ILE CG1 . 6565 1 637 . 1 1 64 64 ILE CG2 C 13 17.0 0.068 . 1 . . . . 80 ILE CG2 . 6565 1 638 . 1 1 64 64 ILE CD1 C 13 13.1 0.107 . 1 . . . . 80 ILE CD1 . 6565 1 639 . 1 1 64 64 ILE N N 15 120.7 0.030 . 1 . . . . 80 ILE N . 6565 1 640 . 1 1 65 65 PRO HA H 1 4.30 0.011 . 1 . . . . 81 PRO HA . 6565 1 641 . 1 1 65 65 PRO HB2 H 1 2.29 0.010 . 2 . . . . 81 PRO HB2 . 6565 1 642 . 1 1 65 65 PRO HB3 H 1 1.83 0.012 . 2 . . . . 81 PRO HB3 . 6565 1 643 . 1 1 65 65 PRO HG2 H 1 2.15 0.008 . 2 . . . . 81 PRO HG2 . 6565 1 644 . 1 1 65 65 PRO HG3 H 1 2.01 0.009 . 2 . . . . 81 PRO HG3 . 6565 1 645 . 1 1 65 65 PRO HD2 H 1 4.04 0.014 . 2 . . . . 81 PRO HD2 . 6565 1 646 . 1 1 65 65 PRO HD3 H 1 3.66 0.014 . 2 . . . . 81 PRO HD3 . 6565 1 647 . 1 1 65 65 PRO C C 13 176.8 0.052 . 1 . . . . 81 PRO C . 6565 1 648 . 1 1 65 65 PRO CA C 13 62.9 0.146 . 1 . . . . 81 PRO CA . 6565 1 649 . 1 1 65 65 PRO CB C 13 31.5 0.076 . 1 . . . . 81 PRO CB . 6565 1 650 . 1 1 65 65 PRO CG C 13 27.5 0.082 . 1 . . . . 81 PRO CG . 6565 1 651 . 1 1 65 65 PRO CD C 13 50.5 0.149 . 1 . . . . 81 PRO CD . 6565 1 652 . 1 1 66 66 CYS H H 1 9.19 0.004 . 1 . . . . 82 CYS H . 6565 1 653 . 1 1 66 66 CYS HA H 1 5.14 0.019 . 1 . . . . 82 CYS HA . 6565 1 654 . 1 1 66 66 CYS HB2 H 1 3.11 0.012 . 2 . . . . 82 CYS HB2 . 6565 1 655 . 1 1 66 66 CYS HB3 H 1 2.90 0.013 . 2 . . . . 82 CYS HB3 . 6565 1 656 . 1 1 66 66 CYS C C 13 172.3 0.052 . 1 . . . . 82 CYS C . 6565 1 657 . 1 1 66 66 CYS CA C 13 54.0 0.110 . 1 . . . . 82 CYS CA . 6565 1 658 . 1 1 66 66 CYS CB C 13 33.6 0.113 . 1 . . . . 82 CYS CB . 6565 1 659 . 1 1 66 66 CYS N N 15 120.2 0.043 . 1 . . . . 82 CYS N . 6565 1 660 . 1 1 67 67 ASN H H 1 7.67 0.007 . 1 . . . . 83 ASN H . 6565 1 661 . 1 1 67 67 ASN HA H 1 4.34 0.010 . 1 . . . . 83 ASN HA . 6565 1 662 . 1 1 67 67 ASN HB2 H 1 3.20 0.014 . 2 . . . . 83 ASN HB2 . 6565 1 663 . 1 1 67 67 ASN HB3 H 1 3.10 0.014 . 2 . . . . 83 ASN HB3 . 6565 1 664 . 1 1 67 67 ASN HD21 H 1 7.81 0.004 . 1 . . . . 83 ASN HD21 . 6565 1 665 . 1 1 67 67 ASN HD22 H 1 7.09 0.006 . 1 . . . . 83 ASN HD22 . 6565 1 666 . 1 1 67 67 ASN C C 13 174.2 0.052 . 1 . . . . 83 ASN C . 6565 1 667 . 1 1 67 67 ASN CA C 13 51.1 0.107 . 1 . . . . 83 ASN CA . 6565 1 668 . 1 1 67 67 ASN CB C 13 37.9 0.084 . 1 . . . . 83 ASN CB . 6565 1 669 . 1 1 67 67 ASN N N 15 126.2 0.041 . 1 . . . . 83 ASN N . 6565 1 670 . 1 1 67 67 ASN ND2 N 15 114.5 0.052 . 1 . . . . 83 ASN ND2 . 6565 1 671 . 1 1 68 68 GLU H H 1 9.08 0.007 . 1 . . . . 84 GLU H . 6565 1 672 . 1 1 68 68 GLU HA H 1 2.97 0.011 . 1 . . . . 84 GLU HA . 6565 1 673 . 1 1 68 68 GLU HB2 H 1 1.84 0.009 . 1 . . . . 84 GLU HB2 . 6565 1 674 . 1 1 68 68 GLU HB3 H 1 1.84 0.009 . 1 . . . . 84 GLU HB3 . 6565 1 675 . 1 1 68 68 GLU HG2 H 1 2.16 0.015 . 2 . . . . 84 GLU HG2 . 6565 1 676 . 1 1 68 68 GLU HG3 H 1 1.95 0.008 . 2 . . . . 84 GLU HG3 . 6565 1 677 . 1 1 68 68 GLU C C 13 175.5 0.052 . 1 . . . . 84 GLU C . 6565 1 678 . 1 1 68 68 GLU CA C 13 58.9 0.070 . 1 . . . . 84 GLU CA . 6565 1 679 . 1 1 68 68 GLU CB C 13 28.2 0.037 . 1 . . . . 84 GLU CB . 6565 1 680 . 1 1 68 68 GLU CG C 13 36.3 0.038 . 1 . . . . 84 GLU CG . 6565 1 681 . 1 1 68 68 GLU N N 15 115.9 0.037 . 1 . . . . 84 GLU N . 6565 1 682 . 1 1 69 69 ASP H H 1 7.99 0.004 . 1 . . . . 85 ASP H . 6565 1 683 . 1 1 69 69 ASP HA H 1 4.72 0.031 . 1 . . . . 85 ASP HA . 6565 1 684 . 1 1 69 69 ASP HB2 H 1 2.79 0.031 . 2 . . . . 85 ASP HB2 . 6565 1 685 . 1 1 69 69 ASP HB3 H 1 2.48 0.031 . 2 . . . . 85 ASP HB3 . 6565 1 686 . 1 1 69 69 ASP C C 13 176.0 0.052 . 1 . . . . 85 ASP C . 6565 1 687 . 1 1 69 69 ASP CA C 13 54.3 0.018 . 1 . . . . 85 ASP CA . 6565 1 688 . 1 1 69 69 ASP CB C 13 41.0 0.011 . 1 . . . . 85 ASP CB . 6565 1 689 . 1 1 69 69 ASP N N 15 116.8 0.043 . 1 . . . . 85 ASP N . 6565 1 690 . 1 1 70 70 HIS H H 1 8.48 0.013 . 1 . . . . 86 HIS H . 6565 1 691 . 1 1 70 70 HIS HA H 1 4.46 0.008 . 1 . . . . 86 HIS HA . 6565 1 692 . 1 1 70 70 HIS HB2 H 1 3.79 0.015 . 2 . . . . 86 HIS HB2 . 6565 1 693 . 1 1 70 70 HIS HB3 H 1 3.59 0.031 . 2 . . . . 86 HIS HB3 . 6565 1 694 . 1 1 70 70 HIS HD2 H 1 7.29 0.007 . 1 . . . . 86 HIS HD2 . 6565 1 695 . 1 1 70 70 HIS HE1 H 1 7.81 0.031 . 1 . . . . 86 HIS HE1 . 6565 1 696 . 1 1 70 70 HIS HE2 H 1 11.29 0.007 . 1 . . . . 86 HIS HE2 . 6565 1 697 . 1 1 70 70 HIS CA C 13 55.6 0.010 . 1 . . . . 86 HIS CA . 6565 1 698 . 1 1 70 70 HIS CB C 13 32.4 0.028 . 1 . . . . 86 HIS CB . 6565 1 699 . 1 1 70 70 HIS CD2 C 13 120.5 0.104 . 1 . . . . 86 HIS CD2 . 6565 1 700 . 1 1 70 70 HIS CE1 C 13 137.9 0.260 . 1 . . . . 86 HIS CE1 . 6565 1 701 . 1 1 70 70 HIS N N 15 126.8 0.084 . 1 . . . . 86 HIS N . 6565 1 702 . 1 1 70 70 HIS NE2 N 15 164.5 0.063 . 1 . . . . 86 HIS NE2 . 6565 1 703 . 1 1 71 71 PRO HA H 1 4.57 0.031 . 1 . . . . 87 PRO HA . 6565 1 704 . 1 1 71 71 PRO HB2 H 1 2.55 0.031 . 2 . . . . 87 PRO HB2 . 6565 1 705 . 1 1 71 71 PRO HB3 H 1 2.07 0.031 . 2 . . . . 87 PRO HB3 . 6565 1 706 . 1 1 71 71 PRO HG2 H 1 1.89 0.031 . 1 . . . . 87 PRO HG2 . 6565 1 707 . 1 1 71 71 PRO HG3 H 1 1.89 0.031 . 1 . . . . 87 PRO HG3 . 6565 1 708 . 1 1 71 71 PRO HD2 H 1 3.56 0.016 . 2 . . . . 87 PRO HD2 . 6565 1 709 . 1 1 71 71 PRO HD3 H 1 2.63 0.013 . 2 . . . . 87 PRO HD3 . 6565 1 710 . 1 1 71 71 PRO C C 13 177.4 0.052 . 1 . . . . 87 PRO C . 6565 1 711 . 1 1 71 71 PRO CA C 13 64.2 0.018 . 1 . . . . 87 PRO CA . 6565 1 712 . 1 1 71 71 PRO CB C 13 32.5 0.010 . 1 . . . . 87 PRO CB . 6565 1 713 . 1 1 71 71 PRO CG C 13 26.7 0.260 . 1 . . . . 87 PRO CG . 6565 1 714 . 1 1 71 71 PRO CD C 13 50.3 0.091 . 1 . . . . 87 PRO CD . 6565 1 715 . 1 1 72 72 CYS H H 1 11.40 0.005 . 1 . . . . 88 CYS H . 6565 1 716 . 1 1 72 72 CYS C C 13 175.3 0.052 . 1 . . . . 88 CYS C . 6565 1 717 . 1 1 72 72 CYS CA C 13 52.6 0.037 . 1 . . . . 88 CYS CA . 6565 1 718 . 1 1 72 72 CYS CB C 13 46.8 0.260 . 1 . . . . 88 CYS CB . 6565 1 719 . 1 1 72 72 CYS N N 15 119.5 0.043 . 1 . . . . 88 CYS N . 6565 1 720 . 1 1 73 73 HIS H H 1 7.74 0.009 . 1 . . . . 89 HIS H . 6565 1 721 . 1 1 73 73 HIS CA C 13 58.8 0.007 . 1 . . . . 89 HIS CA . 6565 1 722 . 1 1 73 73 HIS N N 15 120.2 0.059 . 1 . . . . 89 HIS N . 6565 1 723 . 1 1 77 77 GLU C C 13 176.0 0.052 . 1 . . . . 93 GLU C . 6565 1 724 . 1 1 77 77 GLU CA C 13 56.3 0.051 . 1 . . . . 93 GLU CA . 6565 1 725 . 1 1 77 77 GLU CB C 13 30.0 0.130 . 1 . . . . 93 GLU CB . 6565 1 726 . 1 1 78 78 GLU H H 1 8.59 0.003 . 1 . . . . 94 GLU H . 6565 1 727 . 1 1 78 78 GLU C C 13 176.7 0.052 . 1 . . . . 94 GLU C . 6565 1 728 . 1 1 78 78 GLU CA C 13 55.5 0.028 . 1 . . . . 94 GLU CA . 6565 1 729 . 1 1 78 78 GLU CB C 13 30.8 0.043 . 1 . . . . 94 GLU CB . 6565 1 730 . 1 1 78 78 GLU N N 15 122.9 0.068 . 1 . . . . 94 GLU N . 6565 1 731 . 1 1 79 79 ASP H H 1 8.73 0.005 . 1 . . . . 95 ASP H . 6565 1 732 . 1 1 79 79 ASP HA H 1 4.50 0.009 . 1 . . . . 95 ASP HA . 6565 1 733 . 1 1 79 79 ASP HB2 H 1 2.71 0.007 . 1 . . . . 95 ASP HB2 . 6565 1 734 . 1 1 79 79 ASP HB3 H 1 2.71 0.007 . 1 . . . . 95 ASP HB3 . 6565 1 735 . 1 1 79 79 ASP C C 13 176.1 0.052 . 1 . . . . 95 ASP C . 6565 1 736 . 1 1 79 79 ASP CA C 13 55.3 0.081 . 1 . . . . 95 ASP CA . 6565 1 737 . 1 1 79 79 ASP CB C 13 40.7 0.050 . 1 . . . . 95 ASP CB . 6565 1 738 . 1 1 79 79 ASP N N 15 122.1 0.018 . 1 . . . . 95 ASP N . 6565 1 739 . 1 1 80 80 ASP H H 1 8.35 0.005 . 1 . . . . 96 ASP H . 6565 1 740 . 1 1 80 80 ASP HA H 1 4.54 0.013 . 1 . . . . 96 ASP HA . 6565 1 741 . 1 1 80 80 ASP HB2 H 1 2.80 0.014 . 1 . . . . 96 ASP HB2 . 6565 1 742 . 1 1 80 80 ASP HB3 H 1 2.80 0.014 . 1 . . . . 96 ASP HB3 . 6565 1 743 . 1 1 80 80 ASP C C 13 176.4 0.052 . 1 . . . . 96 ASP C . 6565 1 744 . 1 1 80 80 ASP CA C 13 53.7 0.107 . 1 . . . . 96 ASP CA . 6565 1 745 . 1 1 80 80 ASP CB C 13 39.8 0.072 . 1 . . . . 96 ASP CB . 6565 1 746 . 1 1 80 80 ASP N N 15 118.8 0.032 . 1 . . . . 96 ASP N . 6565 1 747 . 1 1 81 81 GLY H H 1 8.21 0.005 . 1 . . . . 97 GLY H . 6565 1 748 . 1 1 81 81 GLY HA2 H 1 4.17 0.001 . 2 . . . . 97 GLY HA2 . 6565 1 749 . 1 1 81 81 GLY HA3 H 1 3.84 0.031 . 2 . . . . 97 GLY HA3 . 6565 1 750 . 1 1 81 81 GLY C C 13 173.7 0.052 . 1 . . . . 97 GLY C . 6565 1 751 . 1 1 81 81 GLY CA C 13 45.1 0.031 . 1 . . . . 97 GLY CA . 6565 1 752 . 1 1 81 81 GLY N N 15 107.4 0.027 . 1 . . . . 97 GLY N . 6565 1 753 . 1 1 82 82 ASP H H 1 8.03 0.008 . 1 . . . . 98 ASP H . 6565 1 754 . 1 1 82 82 ASP HA H 1 4.86 0.009 . 1 . . . . 98 ASP HA . 6565 1 755 . 1 1 82 82 ASP HB2 H 1 2.76 0.014 . 2 . . . . 98 ASP HB2 . 6565 1 756 . 1 1 82 82 ASP HB3 H 1 2.67 0.025 . 2 . . . . 98 ASP HB3 . 6565 1 757 . 1 1 82 82 ASP C C 13 175.4 0.052 . 1 . . . . 98 ASP C . 6565 1 758 . 1 1 82 82 ASP CA C 13 53.5 0.063 . 1 . . . . 98 ASP CA . 6565 1 759 . 1 1 82 82 ASP CB C 13 41.4 0.092 . 1 . . . . 98 ASP CB . 6565 1 760 . 1 1 82 82 ASP N N 15 121.3 0.043 . 1 . . . . 98 ASP N . 6565 1 761 . 1 1 83 83 THR H H 1 8.41 0.003 . 1 . . . . 99 THR H . 6565 1 762 . 1 1 83 83 THR HA H 1 4.91 0.014 . 1 . . . . 99 THR HA . 6565 1 763 . 1 1 83 83 THR HB H 1 4.13 0.009 . 1 . . . . 99 THR HB . 6565 1 764 . 1 1 83 83 THR HG21 H 1 1.22 0.010 . 1 . . . . 99 THR HG2 . 6565 1 765 . 1 1 83 83 THR HG22 H 1 1.22 0.010 . 1 . . . . 99 THR HG2 . 6565 1 766 . 1 1 83 83 THR HG23 H 1 1.22 0.010 . 1 . . . . 99 THR HG2 . 6565 1 767 . 1 1 83 83 THR C C 13 174.1 0.052 . 1 . . . . 99 THR C . 6565 1 768 . 1 1 83 83 THR CA C 13 61.3 0.108 . 1 . . . . 99 THR CA . 6565 1 769 . 1 1 83 83 THR CB C 13 70.3 0.135 . 1 . . . . 99 THR CB . 6565 1 770 . 1 1 83 83 THR CG2 C 13 21.5 0.053 . 1 . . . . 99 THR CG2 . 6565 1 771 . 1 1 83 83 THR N N 15 115.1 0.037 . 1 . . . . 99 THR N . 6565 1 772 . 1 1 84 84 HIS H H 1 8.70 0.005 . 1 . . . . 100 HIS H . 6565 1 773 . 1 1 84 84 HIS N N 15 121.5 0.008 . 1 . . . . 100 HIS N . 6565 1 774 . 1 1 94 94 ASP C C 13 174.9 0.052 . 1 . . . . 110 ASP C . 6565 1 775 . 1 1 94 94 ASP CA C 13 53.9 0.010 . 1 . . . . 110 ASP CA . 6565 1 776 . 1 1 94 94 ASP CB C 13 40.7 0.130 . 1 . . . . 110 ASP CB . 6565 1 777 . 1 1 95 95 HIS H H 1 9.27 0.006 . 1 . . . . 111 HIS H . 6565 1 778 . 1 1 95 95 HIS HA H 1 3.96 0.007 . 1 . . . . 111 HIS HA . 6565 1 779 . 1 1 95 95 HIS HB2 H 1 3.29 0.014 . 2 . . . . 111 HIS HB2 . 6565 1 780 . 1 1 95 95 HIS HB3 H 1 3.10 0.006 . 2 . . . . 111 HIS HB3 . 6565 1 781 . 1 1 95 95 HIS C C 13 175.0 0.052 . 1 . . . . 111 HIS C . 6565 1 782 . 1 1 95 95 HIS CA C 13 55.4 0.051 . 1 . . . . 111 HIS CA . 6565 1 783 . 1 1 95 95 HIS CB C 13 31.2 0.191 . 1 . . . . 111 HIS CB . 6565 1 784 . 1 1 95 95 HIS N N 15 125.2 0.160 . 1 . . . . 111 HIS N . 6565 1 785 . 1 1 96 96 HIS H H 1 7.69 0.010 . 1 . . . . 112 HIS H . 6565 1 786 . 1 1 96 96 HIS HA H 1 4.48 0.013 . 1 . . . . 112 HIS HA . 6565 1 787 . 1 1 96 96 HIS HB2 H 1 3.06 0.015 . 2 . . . . 112 HIS HB2 . 6565 1 788 . 1 1 96 96 HIS HB3 H 1 2.57 0.011 . 2 . . . . 112 HIS HB3 . 6565 1 789 . 1 1 96 96 HIS C C 13 175.0 0.052 . 1 . . . . 112 HIS C . 6565 1 790 . 1 1 96 96 HIS CA C 13 56.6 0.068 . 1 . . . . 112 HIS CA . 6565 1 791 . 1 1 96 96 HIS CB C 13 31.6 0.084 . 1 . . . . 112 HIS CB . 6565 1 792 . 1 1 96 96 HIS N N 15 120.7 0.063 . 1 . . . . 112 HIS N . 6565 1 793 . 1 1 97 97 ASP H H 1 8.67 0.004 . 1 . . . . 113 ASP H . 6565 1 794 . 1 1 97 97 ASP HA H 1 4.39 0.009 . 1 . . . . 113 ASP HA . 6565 1 795 . 1 1 97 97 ASP HB2 H 1 2.64 0.010 . 2 . . . . 113 ASP HB2 . 6565 1 796 . 1 1 97 97 ASP HB3 H 1 2.51 0.009 . 2 . . . . 113 ASP HB3 . 6565 1 797 . 1 1 97 97 ASP C C 13 177.6 0.052 . 1 . . . . 113 ASP C . 6565 1 798 . 1 1 97 97 ASP CA C 13 54.9 0.071 . 1 . . . . 113 ASP CA . 6565 1 799 . 1 1 97 97 ASP CB C 13 41.1 0.045 . 1 . . . . 113 ASP CB . 6565 1 800 . 1 1 97 97 ASP N N 15 121.3 0.051 . 1 . . . . 113 ASP N . 6565 1 801 . 1 1 98 98 ASP H H 1 8.88 0.005 . 1 . . . . 114 ASP H . 6565 1 802 . 1 1 98 98 ASP HA H 1 4.00 0.012 . 1 . . . . 114 ASP HA . 6565 1 803 . 1 1 98 98 ASP HB2 H 1 2.50 0.011 . 2 . . . . 114 ASP HB2 . 6565 1 804 . 1 1 98 98 ASP HB3 H 1 2.31 0.010 . 2 . . . . 114 ASP HB3 . 6565 1 805 . 1 1 98 98 ASP C C 13 177.3 0.052 . 1 . . . . 114 ASP C . 6565 1 806 . 1 1 98 98 ASP CA C 13 57.5 0.081 . 1 . . . . 114 ASP CA . 6565 1 807 . 1 1 98 98 ASP CB C 13 40.2 0.078 . 1 . . . . 114 ASP CB . 6565 1 808 . 1 1 98 98 ASP N N 15 123.7 0.049 . 1 . . . . 114 ASP N . 6565 1 809 . 1 1 99 99 ASP H H 1 8.42 0.004 . 1 . . . . 115 ASP H . 6565 1 810 . 1 1 99 99 ASP HA H 1 4.15 0.014 . 1 . . . . 115 ASP HA . 6565 1 811 . 1 1 99 99 ASP HB2 H 1 2.64 0.010 . 2 . . . . 115 ASP HB2 . 6565 1 812 . 1 1 99 99 ASP HB3 H 1 2.52 0.016 . 2 . . . . 115 ASP HB3 . 6565 1 813 . 1 1 99 99 ASP C C 13 173.8 0.052 . 1 . . . . 115 ASP C . 6565 1 814 . 1 1 99 99 ASP CA C 13 53.9 0.086 . 1 . . . . 115 ASP CA . 6565 1 815 . 1 1 99 99 ASP CB C 13 39.3 0.069 . 1 . . . . 115 ASP CB . 6565 1 816 . 1 1 99 99 ASP N N 15 118.0 0.026 . 1 . . . . 115 ASP N . 6565 1 817 . 1 1 100 100 THR H H 1 7.30 0.007 . 1 . . . . 116 THR H . 6565 1 818 . 1 1 100 100 THR HA H 1 3.85 0.007 . 1 . . . . 116 THR HA . 6565 1 819 . 1 1 100 100 THR HB H 1 3.86 0.007 . 1 . . . . 116 THR HB . 6565 1 820 . 1 1 100 100 THR HG21 H 1 0.95 0.017 . 1 . . . . 116 THR HG2 . 6565 1 821 . 1 1 100 100 THR HG22 H 1 0.95 0.017 . 1 . . . . 116 THR HG2 . 6565 1 822 . 1 1 100 100 THR HG23 H 1 0.95 0.017 . 1 . . . . 116 THR HG2 . 6565 1 823 . 1 1 100 100 THR C C 13 172.3 0.052 . 1 . . . . 116 THR C . 6565 1 824 . 1 1 100 100 THR CA C 13 62.4 0.060 . 1 . . . . 116 THR CA . 6565 1 825 . 1 1 100 100 THR CB C 13 68.2 0.092 . 1 . . . . 116 THR CB . 6565 1 826 . 1 1 100 100 THR CG2 C 13 21.2 0.041 . 1 . . . . 116 THR CG2 . 6565 1 827 . 1 1 100 100 THR N N 15 117.3 0.036 . 1 . . . . 116 THR N . 6565 1 828 . 1 1 101 101 HIS H H 1 8.78 0.008 . 1 . . . . 117 HIS H . 6565 1 829 . 1 1 101 101 HIS HA H 1 3.90 0.013 . 1 . . . . 117 HIS HA . 6565 1 830 . 1 1 101 101 HIS HB2 H 1 2.83 0.017 . 2 . . . . 117 HIS HB2 . 6565 1 831 . 1 1 101 101 HIS HB3 H 1 2.68 0.015 . 2 . . . . 117 HIS HB3 . 6565 1 832 . 1 1 101 101 HIS C C 13 176.1 0.052 . 1 . . . . 117 HIS C . 6565 1 833 . 1 1 101 101 HIS CA C 13 57.6 0.105 . 1 . . . . 117 HIS CA . 6565 1 834 . 1 1 101 101 HIS CB C 13 27.2 0.060 . 1 . . . . 117 HIS CB . 6565 1 835 . 1 1 101 101 HIS N N 15 127.5 0.045 . 1 . . . . 117 HIS N . 6565 1 836 . 1 1 102 102 GLY H H 1 6.13 0.005 . 1 . . . . 118 GLY H . 6565 1 837 . 1 1 102 102 GLY HA2 H 1 3.40 0.005 . 1 . . . . 118 GLY HA2 . 6565 1 838 . 1 1 102 102 GLY HA3 H 1 3.40 0.005 . 1 . . . . 118 GLY HA3 . 6565 1 839 . 1 1 102 102 GLY C C 13 172.5 0.052 . 1 . . . . 118 GLY C . 6565 1 840 . 1 1 102 102 GLY CA C 13 43.6 0.040 . 1 . . . . 118 GLY CA . 6565 1 841 . 1 1 102 102 GLY N N 15 110.1 0.052 . 1 . . . . 118 GLY N . 6565 1 842 . 1 1 103 103 GLU H H 1 7.03 0.004 . 1 . . . . 119 GLU H . 6565 1 843 . 1 1 103 103 GLU HA H 1 4.65 0.015 . 1 . . . . 119 GLU HA . 6565 1 844 . 1 1 103 103 GLU HB2 H 1 1.68 0.015 . 2 . . . . 119 GLU HB2 . 6565 1 845 . 1 1 103 103 GLU HB3 H 1 1.19 0.014 . 2 . . . . 119 GLU HB3 . 6565 1 846 . 1 1 103 103 GLU HG2 H 1 1.51 0.007 . 2 . . . . 119 GLU HG2 . 6565 1 847 . 1 1 103 103 GLU HG3 H 1 0.98 0.016 . 2 . . . . 119 GLU HG3 . 6565 1 848 . 1 1 103 103 GLU C C 13 175.7 0.052 . 1 . . . . 119 GLU C . 6565 1 849 . 1 1 103 103 GLU CA C 13 52.4 0.117 . 1 . . . . 119 GLU CA . 6565 1 850 . 1 1 103 103 GLU CB C 13 30.8 0.157 . 1 . . . . 119 GLU CB . 6565 1 851 . 1 1 103 103 GLU CG C 13 33.5 0.082 . 1 . . . . 119 GLU CG . 6565 1 852 . 1 1 103 103 GLU N N 15 115.3 0.034 . 1 . . . . 119 GLU N . 6565 1 853 . 1 1 104 104 CYS H H 1 10.06 0.008 . 1 . . . . 120 CYS H . 6565 1 854 . 1 1 104 104 CYS HA H 1 4.82 0.015 . 1 . . . . 120 CYS HA . 6565 1 855 . 1 1 104 104 CYS HB2 H 1 3.35 0.009 . 1 . . . . 120 CYS HB2 . 6565 1 856 . 1 1 104 104 CYS HB3 H 1 3.35 0.009 . 1 . . . . 120 CYS HB3 . 6565 1 857 . 1 1 104 104 CYS C C 13 171.5 0.052 . 1 . . . . 120 CYS C . 6565 1 858 . 1 1 104 104 CYS CA C 13 55.9 0.110 . 1 . . . . 120 CYS CA . 6565 1 859 . 1 1 104 104 CYS CB C 13 35.5 0.053 . 1 . . . . 120 CYS CB . 6565 1 860 . 1 1 104 104 CYS N N 15 123.7 0.066 . 1 . . . . 120 CYS N . 6565 1 861 . 1 1 105 105 THR H H 1 6.88 0.005 . 1 . . . . 121 THR H . 6565 1 862 . 1 1 105 105 THR HA H 1 4.43 0.014 . 1 . . . . 121 THR HA . 6565 1 863 . 1 1 105 105 THR HB H 1 4.43 0.015 . 1 . . . . 121 THR HB . 6565 1 864 . 1 1 105 105 THR HG21 H 1 1.18 0.013 . 1 . . . . 121 THR HG2 . 6565 1 865 . 1 1 105 105 THR HG22 H 1 1.18 0.013 . 1 . . . . 121 THR HG2 . 6565 1 866 . 1 1 105 105 THR HG23 H 1 1.18 0.013 . 1 . . . . 121 THR HG2 . 6565 1 867 . 1 1 105 105 THR C C 13 173.1 0.052 . 1 . . . . 121 THR C . 6565 1 868 . 1 1 105 105 THR CA C 13 58.3 0.090 . 1 . . . . 121 THR CA . 6565 1 869 . 1 1 105 105 THR CB C 13 73.1 0.076 . 1 . . . . 121 THR CB . 6565 1 870 . 1 1 105 105 THR CG2 C 13 20.3 0.115 . 1 . . . . 121 THR CG2 . 6565 1 871 . 1 1 105 105 THR N N 15 119.3 0.026 . 1 . . . . 121 THR N . 6565 1 872 . 1 1 106 106 LYS H H 1 7.43 0.021 . 1 . . . . 122 LYS H . 6565 1 873 . 1 1 106 106 LYS HA H 1 2.07 0.012 . 1 . . . . 122 LYS HA . 6565 1 874 . 1 1 106 106 LYS HB2 H 1 1.17 0.011 . 2 . . . . 122 LYS HB2 . 6565 1 875 . 1 1 106 106 LYS HB3 H 1 0.83 0.018 . 2 . . . . 122 LYS HB3 . 6565 1 876 . 1 1 106 106 LYS HG2 H 1 0.93 0.010 . 2 . . . . 122 LYS HG2 . 6565 1 877 . 1 1 106 106 LYS HG3 H 1 0.69 0.013 . 2 . . . . 122 LYS HG3 . 6565 1 878 . 1 1 106 106 LYS HD2 H 1 1.51 0.010 . 1 . . . . 122 LYS HD2 . 6565 1 879 . 1 1 106 106 LYS HD3 H 1 1.51 0.010 . 1 . . . . 122 LYS HD3 . 6565 1 880 . 1 1 106 106 LYS HE2 H 1 2.92 0.006 . 1 . . . . 122 LYS HE2 . 6565 1 881 . 1 1 106 106 LYS HE3 H 1 2.92 0.006 . 1 . . . . 122 LYS HE3 . 6565 1 882 . 1 1 106 106 LYS C C 13 175.4 0.052 . 1 . . . . 122 LYS C . 6565 1 883 . 1 1 106 106 LYS CA C 13 56.4 0.080 . 1 . . . . 122 LYS CA . 6565 1 884 . 1 1 106 106 LYS CB C 13 30.6 0.048 . 1 . . . . 122 LYS CB . 6565 1 885 . 1 1 106 106 LYS CG C 13 23.1 0.086 . 1 . . . . 122 LYS CG . 6565 1 886 . 1 1 106 106 LYS CD C 13 29.1 0.043 . 1 . . . . 122 LYS CD . 6565 1 887 . 1 1 106 106 LYS CE C 13 41.0 0.084 . 1 . . . . 122 LYS CE . 6565 1 888 . 1 1 106 106 LYS N N 15 116.4 0.034 . 1 . . . . 122 LYS N . 6565 1 889 . 1 1 107 107 LYS H H 1 7.50 0.005 . 1 . . . . 123 LYS H . 6565 1 890 . 1 1 107 107 LYS HA H 1 4.09 0.010 . 1 . . . . 123 LYS HA . 6565 1 891 . 1 1 107 107 LYS HB2 H 1 1.77 0.009 . 2 . . . . 123 LYS HB2 . 6565 1 892 . 1 1 107 107 LYS HB3 H 1 1.35 0.005 . 2 . . . . 123 LYS HB3 . 6565 1 893 . 1 1 107 107 LYS HG2 H 1 1.36 0.009 . 1 . . . . 123 LYS HG2 . 6565 1 894 . 1 1 107 107 LYS HG3 H 1 1.36 0.009 . 1 . . . . 123 LYS HG3 . 6565 1 895 . 1 1 107 107 LYS HD2 H 1 1.51 0.013 . 1 . . . . 123 LYS HD2 . 6565 1 896 . 1 1 107 107 LYS HD3 H 1 1.51 0.013 . 1 . . . . 123 LYS HD3 . 6565 1 897 . 1 1 107 107 LYS HE2 H 1 2.90 0.008 . 1 . . . . 123 LYS HE2 . 6565 1 898 . 1 1 107 107 LYS HE3 H 1 2.90 0.008 . 1 . . . . 123 LYS HE3 . 6565 1 899 . 1 1 107 107 LYS C C 13 176.9 0.052 . 1 . . . . 123 LYS C . 6565 1 900 . 1 1 107 107 LYS CA C 13 55.1 0.088 . 1 . . . . 123 LYS CA . 6565 1 901 . 1 1 107 107 LYS CB C 13 33.9 0.062 . 1 . . . . 123 LYS CB . 6565 1 902 . 1 1 107 107 LYS CG C 13 26.5 0.084 . 1 . . . . 123 LYS CG . 6565 1 903 . 1 1 107 107 LYS CD C 13 28.4 0.144 . 1 . . . . 123 LYS CD . 6565 1 904 . 1 1 107 107 LYS CE C 13 41.5 0.079 . 1 . . . . 123 LYS CE . 6565 1 905 . 1 1 107 107 LYS N N 15 118.7 0.048 . 1 . . . . 123 LYS N . 6565 1 906 . 1 1 108 108 ALA H H 1 8.25 0.004 . 1 . . . . 124 ALA H . 6565 1 907 . 1 1 108 108 ALA HA H 1 4.34 0.014 . 1 . . . . 124 ALA HA . 6565 1 908 . 1 1 108 108 ALA HB1 H 1 1.41 0.016 . 1 . . . . 124 ALA HB . 6565 1 909 . 1 1 108 108 ALA HB2 H 1 1.41 0.016 . 1 . . . . 124 ALA HB . 6565 1 910 . 1 1 108 108 ALA HB3 H 1 1.41 0.016 . 1 . . . . 124 ALA HB . 6565 1 911 . 1 1 108 108 ALA CA C 13 50.2 0.086 . 1 . . . . 124 ALA CA . 6565 1 912 . 1 1 108 108 ALA CB C 13 18.5 0.100 . 1 . . . . 124 ALA CB . 6565 1 913 . 1 1 108 108 ALA N N 15 123.5 0.040 . 1 . . . . 124 ALA N . 6565 1 914 . 1 1 109 109 PRO HA H 1 4.42 0.014 . 1 . . . . 125 PRO HA . 6565 1 915 . 1 1 109 109 PRO HB2 H 1 2.52 0.006 . 2 . . . . 125 PRO HB2 . 6565 1 916 . 1 1 109 109 PRO HB3 H 1 2.09 0.026 . 2 . . . . 125 PRO HB3 . 6565 1 917 . 1 1 109 109 PRO HG2 H 1 2.79 0.009 . 2 . . . . 125 PRO HG2 . 6565 1 918 . 1 1 109 109 PRO HG3 H 1 2.28 0.010 . 2 . . . . 125 PRO HG3 . 6565 1 919 . 1 1 109 109 PRO HD2 H 1 4.04 0.017 . 2 . . . . 125 PRO HD2 . 6565 1 920 . 1 1 109 109 PRO HD3 H 1 3.88 0.005 . 2 . . . . 125 PRO HD3 . 6565 1 921 . 1 1 109 109 PRO C C 13 177.7 0.052 . 1 . . . . 125 PRO C . 6565 1 922 . 1 1 109 109 PRO CA C 13 65.3 0.082 . 1 . . . . 125 PRO CA . 6565 1 923 . 1 1 109 109 PRO CB C 13 32.4 0.121 . 1 . . . . 125 PRO CB . 6565 1 924 . 1 1 109 109 PRO CG C 13 28.6 0.133 . 1 . . . . 125 PRO CG . 6565 1 925 . 1 1 109 109 PRO CD C 13 51.1 0.226 . 1 . . . . 125 PRO CD . 6565 1 926 . 1 1 110 110 CYS H H 1 7.20 0.004 . 1 . . . . 126 CYS H . 6565 1 927 . 1 1 110 110 CYS HA H 1 4.42 0.016 . 1 . . . . 126 CYS HA . 6565 1 928 . 1 1 110 110 CYS HB2 H 1 3.52 0.012 . 2 . . . . 126 CYS HB2 . 6565 1 929 . 1 1 110 110 CYS HB3 H 1 2.72 0.025 . 2 . . . . 126 CYS HB3 . 6565 1 930 . 1 1 110 110 CYS C C 13 170.2 0.052 . 1 . . . . 126 CYS C . 6565 1 931 . 1 1 110 110 CYS CA C 13 53.7 0.090 . 1 . . . . 126 CYS CA . 6565 1 932 . 1 1 110 110 CYS CB C 13 43.5 0.117 . 1 . . . . 126 CYS CB . 6565 1 933 . 1 1 110 110 CYS N N 15 108.1 0.046 . 1 . . . . 126 CYS N . 6565 1 934 . 1 1 111 111 TRP H H 1 7.53 0.005 . 1 . . . . 127 TRP H . 6565 1 935 . 1 1 111 111 TRP HA H 1 4.96 0.014 . 1 . . . . 127 TRP HA . 6565 1 936 . 1 1 111 111 TRP HB2 H 1 3.49 0.018 . 2 . . . . 127 TRP HB2 . 6565 1 937 . 1 1 111 111 TRP HB3 H 1 2.96 0.015 . 2 . . . . 127 TRP HB3 . 6565 1 938 . 1 1 111 111 TRP HD1 H 1 7.08 0.012 . 1 . . . . 127 TRP HD1 . 6565 1 939 . 1 1 111 111 TRP HE1 H 1 10.16 0.003 . 1 . . . . 127 TRP HE1 . 6565 1 940 . 1 1 111 111 TRP HE3 H 1 7.28 0.008 . 1 . . . . 127 TRP HE3 . 6565 1 941 . 1 1 111 111 TRP HZ2 H 1 7.50 0.009 . 1 . . . . 127 TRP HZ2 . 6565 1 942 . 1 1 111 111 TRP HZ3 H 1 6.67 0.009 . 1 . . . . 127 TRP HZ3 . 6565 1 943 . 1 1 111 111 TRP HH2 H 1 6.85 0.013 . 1 . . . . 127 TRP HH2 . 6565 1 944 . 1 1 111 111 TRP C C 13 176.3 0.052 . 1 . . . . 127 TRP C . 6565 1 945 . 1 1 111 111 TRP CA C 13 58.3 0.100 . 1 . . . . 127 TRP CA . 6565 1 946 . 1 1 111 111 TRP CB C 13 29.6 0.084 . 1 . . . . 127 TRP CB . 6565 1 947 . 1 1 111 111 TRP CD1 C 13 126.8 0.133 . 1 . . . . 127 TRP CD1 . 6565 1 948 . 1 1 111 111 TRP CE3 C 13 122.9 0.118 . 1 . . . . 127 TRP CE3 . 6565 1 949 . 1 1 111 111 TRP CZ2 C 13 114.5 0.073 . 1 . . . . 127 TRP CZ2 . 6565 1 950 . 1 1 111 111 TRP CZ3 C 13 120.4 0.093 . 1 . . . . 127 TRP CZ3 . 6565 1 951 . 1 1 111 111 TRP CH2 C 13 123.6 0.128 . 1 . . . . 127 TRP CH2 . 6565 1 952 . 1 1 111 111 TRP N N 15 119.7 0.040 . 1 . . . . 127 TRP N . 6565 1 953 . 1 1 111 111 TRP NE1 N 15 131.0 0.014 . 1 . . . . 127 TRP NE1 . 6565 1 954 . 1 1 112 112 ARG H H 1 8.50 0.004 . 1 . . . . 128 ARG H . 6565 1 955 . 1 1 112 112 ARG HA H 1 4.14 0.013 . 1 . . . . 128 ARG HA . 6565 1 956 . 1 1 112 112 ARG HB2 H 1 1.74 0.013 . 2 . . . . 128 ARG HB2 . 6565 1 957 . 1 1 112 112 ARG HB3 H 1 1.58 0.012 . 2 . . . . 128 ARG HB3 . 6565 1 958 . 1 1 112 112 ARG HG2 H 1 1.53 0.014 . 2 . . . . 128 ARG HG2 . 6565 1 959 . 1 1 112 112 ARG HG3 H 1 1.38 0.011 . 2 . . . . 128 ARG HG3 . 6565 1 960 . 1 1 112 112 ARG HD2 H 1 3.08 0.013 . 1 . . . . 128 ARG HD2 . 6565 1 961 . 1 1 112 112 ARG HD3 H 1 3.08 0.013 . 1 . . . . 128 ARG HD3 . 6565 1 962 . 1 1 112 112 ARG HE H 1 7.47 0.003 . 1 . . . . 128 ARG HE . 6565 1 963 . 1 1 112 112 ARG C C 13 174.1 0.052 . 1 . . . . 128 ARG C . 6565 1 964 . 1 1 112 112 ARG CA C 13 55.7 0.094 . 1 . . . . 128 ARG CA . 6565 1 965 . 1 1 112 112 ARG CB C 13 32.9 0.092 . 1 . . . . 128 ARG CB . 6565 1 966 . 1 1 112 112 ARG CG C 13 27.6 0.099 . 1 . . . . 128 ARG CG . 6565 1 967 . 1 1 112 112 ARG CD C 13 43.3 0.086 . 1 . . . . 128 ARG CD . 6565 1 968 . 1 1 112 112 ARG CZ C 13 159.2 0.052 . 1 . . . . 128 ARG CZ . 6565 1 969 . 1 1 112 112 ARG N N 15 127.3 0.033 . 1 . . . . 128 ARG N . 6565 1 970 . 1 1 112 112 ARG NE N 15 85.4 0.025 . 1 . . . . 128 ARG NE . 6565 1 971 . 1 1 113 113 CYS H H 1 8.63 0.004 . 1 . . . . 129 CYS H . 6565 1 972 . 1 1 113 113 CYS HA H 1 5.01 0.014 . 1 . . . . 129 CYS HA . 6565 1 973 . 1 1 113 113 CYS HB2 H 1 2.83 0.010 . 2 . . . . 129 CYS HB2 . 6565 1 974 . 1 1 113 113 CYS HB3 H 1 2.60 0.001 . 2 . . . . 129 CYS HB3 . 6565 1 975 . 1 1 113 113 CYS C C 13 172.8 0.052 . 1 . . . . 129 CYS C . 6565 1 976 . 1 1 113 113 CYS CA C 13 54.9 0.104 . 1 . . . . 129 CYS CA . 6565 1 977 . 1 1 113 113 CYS CB C 13 47.6 0.050 . 1 . . . . 129 CYS CB . 6565 1 978 . 1 1 113 113 CYS N N 15 123.5 0.043 . 1 . . . . 129 CYS N . 6565 1 979 . 1 1 114 114 GLU H H 1 8.21 0.005 . 1 . . . . 130 GLU H . 6565 1 980 . 1 1 114 114 GLU HA H 1 4.60 0.010 . 1 . . . . 130 GLU HA . 6565 1 981 . 1 1 114 114 GLU HB2 H 1 1.94 0.012 . 2 . . . . 130 GLU HB2 . 6565 1 982 . 1 1 114 114 GLU HB3 H 1 1.89 0.030 . 2 . . . . 130 GLU HB3 . 6565 1 983 . 1 1 114 114 GLU HG2 H 1 2.25 0.004 . 2 . . . . 130 GLU HG2 . 6565 1 984 . 1 1 114 114 GLU HG3 H 1 2.15 0.004 . 2 . . . . 130 GLU HG3 . 6565 1 985 . 1 1 114 114 GLU C C 13 174.6 0.052 . 1 . . . . 130 GLU C . 6565 1 986 . 1 1 114 114 GLU CA C 13 54.4 0.089 . 1 . . . . 130 GLU CA . 6565 1 987 . 1 1 114 114 GLU CB C 13 33.4 0.045 . 1 . . . . 130 GLU CB . 6565 1 988 . 1 1 114 114 GLU CG C 13 35.5 0.070 . 1 . . . . 130 GLU CG . 6565 1 989 . 1 1 114 114 GLU N N 15 119.2 0.036 . 1 . . . . 130 GLU N . 6565 1 990 . 1 1 115 115 TYR H H 1 9.01 0.004 . 1 . . . . 131 TYR H . 6565 1 991 . 1 1 115 115 TYR HA H 1 4.53 0.007 . 1 . . . . 131 TYR HA . 6565 1 992 . 1 1 115 115 TYR HB2 H 1 3.20 0.011 . 2 . . . . 131 TYR HB2 . 6565 1 993 . 1 1 115 115 TYR HB3 H 1 2.64 0.011 . 2 . . . . 131 TYR HB3 . 6565 1 994 . 1 1 115 115 TYR HD1 H 1 7.11 0.011 . 1 . . . . 131 TYR HD1 . 6565 1 995 . 1 1 115 115 TYR HD2 H 1 7.11 0.011 . 1 . . . . 131 TYR HD2 . 6565 1 996 . 1 1 115 115 TYR HE1 H 1 6.51 0.010 . 1 . . . . 131 TYR HE1 . 6565 1 997 . 1 1 115 115 TYR HE2 H 1 6.51 0.010 . 1 . . . . 131 TYR HE2 . 6565 1 998 . 1 1 115 115 TYR C C 13 174.5 0.052 . 1 . . . . 131 TYR C . 6565 1 999 . 1 1 115 115 TYR CA C 13 60.1 0.072 . 1 . . . . 131 TYR CA . 6565 1 1000 . 1 1 115 115 TYR CB C 13 37.9 0.097 . 1 . . . . 131 TYR CB . 6565 1 1001 . 1 1 115 115 TYR CD1 C 13 132.5 0.107 . 1 . . . . 131 TYR CD1 . 6565 1 1002 . 1 1 115 115 TYR CD2 C 13 132.5 0.107 . 1 . . . . 131 TYR CD2 . 6565 1 1003 . 1 1 115 115 TYR CE1 C 13 117.2 0.099 . 1 . . . . 131 TYR CE1 . 6565 1 1004 . 1 1 115 115 TYR CE2 C 13 117.2 0.099 . 1 . . . . 131 TYR CE2 . 6565 1 1005 . 1 1 115 115 TYR N N 15 127.3 0.051 . 1 . . . . 131 TYR N . 6565 1 1006 . 1 1 116 116 ASN H H 1 6.64 0.007 . 1 . . . . 132 ASN H . 6565 1 1007 . 1 1 116 116 ASN HA H 1 4.69 0.011 . 1 . . . . 132 ASN HA . 6565 1 1008 . 1 1 116 116 ASN HB2 H 1 2.46 0.010 . 1 . . . . 132 ASN HB2 . 6565 1 1009 . 1 1 116 116 ASN HB3 H 1 2.46 0.010 . 1 . . . . 132 ASN HB3 . 6565 1 1010 . 1 1 116 116 ASN C C 13 173.5 0.052 . 1 . . . . 132 ASN C . 6565 1 1011 . 1 1 116 116 ASN CA C 13 51.5 0.101 . 1 . . . . 132 ASN CA . 6565 1 1012 . 1 1 116 116 ASN CB C 13 40.0 0.085 . 1 . . . . 132 ASN CB . 6565 1 1013 . 1 1 116 116 ASN N N 15 127.2 0.030 . 1 . . . . 132 ASN N . 6565 1 1014 . 1 1 117 117 ALA H H 1 8.63 0.004 . 1 . . . . 133 ALA H . 6565 1 1015 . 1 1 117 117 ALA HA H 1 3.74 0.011 . 1 . . . . 133 ALA HA . 6565 1 1016 . 1 1 117 117 ALA HB1 H 1 1.44 0.010 . 1 . . . . 133 ALA HB . 6565 1 1017 . 1 1 117 117 ALA HB2 H 1 1.44 0.010 . 1 . . . . 133 ALA HB . 6565 1 1018 . 1 1 117 117 ALA HB3 H 1 1.44 0.010 . 1 . . . . 133 ALA HB . 6565 1 1019 . 1 1 117 117 ALA C C 13 178.6 0.052 . 1 . . . . 133 ALA C . 6565 1 1020 . 1 1 117 117 ALA CA C 13 54.2 0.060 . 1 . . . . 133 ALA CA . 6565 1 1021 . 1 1 117 117 ALA CB C 13 18.0 0.041 . 1 . . . . 133 ALA CB . 6565 1 1022 . 1 1 117 117 ALA N N 15 127.4 0.036 . 1 . . . . 133 ALA N . 6565 1 1023 . 1 1 118 118 ASP H H 1 7.90 0.005 . 1 . . . . 134 ASP H . 6565 1 1024 . 1 1 118 118 ASP HA H 1 4.39 0.016 . 1 . . . . 134 ASP HA . 6565 1 1025 . 1 1 118 118 ASP HB2 H 1 2.65 0.019 . 2 . . . . 134 ASP HB2 . 6565 1 1026 . 1 1 118 118 ASP HB3 H 1 2.56 0.027 . 2 . . . . 134 ASP HB3 . 6565 1 1027 . 1 1 118 118 ASP C C 13 177.9 0.052 . 1 . . . . 134 ASP C . 6565 1 1028 . 1 1 118 118 ASP CA C 13 56.3 0.087 . 1 . . . . 134 ASP CA . 6565 1 1029 . 1 1 118 118 ASP CB C 13 40.5 0.084 . 1 . . . . 134 ASP CB . 6565 1 1030 . 1 1 118 118 ASP N N 15 116.7 0.035 . 1 . . . . 134 ASP N . 6565 1 1031 . 1 1 119 119 LEU H H 1 7.56 0.009 . 1 . . . . 135 LEU H . 6565 1 1032 . 1 1 119 119 LEU N N 15 118.7 0.037 . 1 . . . . 135 LEU N . 6565 1 1033 . 1 1 124 124 CYS HA H 1 5.35 0.011 . 1 . . . . 140 CYS HA . 6565 1 1034 . 1 1 124 124 CYS HB2 H 1 2.35 0.023 . 2 . . . . 140 CYS HB2 . 6565 1 1035 . 1 1 124 124 CYS HB3 H 1 0.82 0.020 . 2 . . . . 140 CYS HB3 . 6565 1 1036 . 1 1 124 124 CYS C C 13 172.8 0.052 . 1 . . . . 140 CYS C . 6565 1 1037 . 1 1 124 124 CYS CA C 13 54.0 0.065 . 1 . . . . 140 CYS CA . 6565 1 1038 . 1 1 124 124 CYS CB C 13 48.7 0.085 . 1 . . . . 140 CYS CB . 6565 1 1039 . 1 1 125 125 GLY H H 1 8.06 0.004 . 1 . . . . 141 GLY H . 6565 1 1040 . 1 1 125 125 GLY HA2 H 1 4.22 0.004 . 2 . . . . 141 GLY HA2 . 6565 1 1041 . 1 1 125 125 GLY HA3 H 1 4.03 0.031 . 2 . . . . 141 GLY HA3 . 6565 1 1042 . 1 1 125 125 GLY C C 13 171.2 0.052 . 1 . . . . 141 GLY C . 6565 1 1043 . 1 1 125 125 GLY CA C 13 44.9 0.044 . 1 . . . . 141 GLY CA . 6565 1 1044 . 1 1 125 125 GLY N N 15 110.1 0.041 . 1 . . . . 141 GLY N . 6565 1 1045 . 1 1 126 126 CYS H H 1 8.76 0.005 . 1 . . . . 142 CYS H . 6565 1 1046 . 1 1 126 126 CYS HA H 1 4.88 0.008 . 1 . . . . 142 CYS HA . 6565 1 1047 . 1 1 126 126 CYS HB2 H 1 3.18 0.003 . 2 . . . . 142 CYS HB2 . 6565 1 1048 . 1 1 126 126 CYS HB3 H 1 2.89 0.004 . 2 . . . . 142 CYS HB3 . 6565 1 1049 . 1 1 126 126 CYS C C 13 172.6 0.052 . 1 . . . . 142 CYS C . 6565 1 1050 . 1 1 126 126 CYS CA C 13 58.0 0.081 . 1 . . . . 142 CYS CA . 6565 1 1051 . 1 1 126 126 CYS CB C 13 41.0 0.142 . 1 . . . . 142 CYS CB . 6565 1 1052 . 1 1 126 126 CYS N N 15 113.5 0.040 . 1 . . . . 142 CYS N . 6565 1 1053 . 1 1 127 127 GLU H H 1 7.47 0.005 . 1 . . . . 143 GLU H . 6565 1 1054 . 1 1 127 127 GLU HA H 1 4.13 0.008 . 1 . . . . 143 GLU HA . 6565 1 1055 . 1 1 127 127 GLU HB2 H 1 2.17 0.016 . 2 . . . . 143 GLU HB2 . 6565 1 1056 . 1 1 127 127 GLU HB3 H 1 1.90 0.017 . 2 . . . . 143 GLU HB3 . 6565 1 1057 . 1 1 127 127 GLU HG2 H 1 2.45 0.017 . 2 . . . . 143 GLU HG2 . 6565 1 1058 . 1 1 127 127 GLU HG3 H 1 2.34 0.017 . 2 . . . . 143 GLU HG3 . 6565 1 1059 . 1 1 127 127 GLU C C 13 179.2 0.052 . 1 . . . . 143 GLU C . 6565 1 1060 . 1 1 127 127 GLU CA C 13 56.5 0.059 . 1 . . . . 143 GLU CA . 6565 1 1061 . 1 1 127 127 GLU CB C 13 30.3 0.125 . 1 . . . . 143 GLU CB . 6565 1 1062 . 1 1 127 127 GLU CG C 13 36.8 0.079 . 1 . . . . 143 GLU CG . 6565 1 1063 . 1 1 127 127 GLU N N 15 116.2 0.051 . 1 . . . . 143 GLU N . 6565 1 1064 . 1 1 128 128 CYS H H 1 9.80 0.006 . 1 . . . . 144 CYS H . 6565 1 1065 . 1 1 128 128 CYS HA H 1 4.57 0.019 . 1 . . . . 144 CYS HA . 6565 1 1066 . 1 1 128 128 CYS HB2 H 1 3.49 0.022 . 2 . . . . 144 CYS HB2 . 6565 1 1067 . 1 1 128 128 CYS HB3 H 1 3.18 0.009 . 2 . . . . 144 CYS HB3 . 6565 1 1068 . 1 1 128 128 CYS C C 13 177.2 0.052 . 1 . . . . 144 CYS C . 6565 1 1069 . 1 1 128 128 CYS CA C 13 57.5 0.090 . 1 . . . . 144 CYS CA . 6565 1 1070 . 1 1 128 128 CYS CB C 13 39.7 0.068 . 1 . . . . 144 CYS CB . 6565 1 1071 . 1 1 128 128 CYS N N 15 128.7 0.025 . 1 . . . . 144 CYS N . 6565 1 1072 . 1 1 129 129 SER H H 1 9.18 0.003 . 1 . . . . 145 SER H . 6565 1 1073 . 1 1 129 129 SER HA H 1 4.36 0.007 . 1 . . . . 145 SER HA . 6565 1 1074 . 1 1 129 129 SER HB2 H 1 4.02 0.005 . 2 . . . . 145 SER HB2 . 6565 1 1075 . 1 1 129 129 SER HB3 H 1 3.96 0.002 . 2 . . . . 145 SER HB3 . 6565 1 1076 . 1 1 129 129 SER C C 13 174.9 0.052 . 1 . . . . 145 SER C . 6565 1 1077 . 1 1 129 129 SER CA C 13 59.8 0.064 . 1 . . . . 145 SER CA . 6565 1 1078 . 1 1 129 129 SER CB C 13 61.9 0.075 . 1 . . . . 145 SER CB . 6565 1 1079 . 1 1 129 129 SER N N 15 115.3 0.034 . 1 . . . . 145 SER N . 6565 1 1080 . 1 1 130 130 LYS H H 1 7.20 0.004 . 1 . . . . 146 LYS H . 6565 1 1081 . 1 1 130 130 LYS HA H 1 4.27 0.007 . 1 . . . . 146 LYS HA . 6565 1 1082 . 1 1 130 130 LYS HB2 H 1 1.96 0.016 . 2 . . . . 146 LYS HB2 . 6565 1 1083 . 1 1 130 130 LYS HB3 H 1 1.76 0.013 . 2 . . . . 146 LYS HB3 . 6565 1 1084 . 1 1 130 130 LYS HG2 H 1 1.47 0.011 . 2 . . . . 146 LYS HG2 . 6565 1 1085 . 1 1 130 130 LYS HG3 H 1 1.32 0.007 . 2 . . . . 146 LYS HG3 . 6565 1 1086 . 1 1 130 130 LYS HD2 H 1 1.63 0.010 . 1 . . . . 146 LYS HD2 . 6565 1 1087 . 1 1 130 130 LYS HD3 H 1 1.63 0.010 . 1 . . . . 146 LYS HD3 . 6565 1 1088 . 1 1 130 130 LYS HE2 H 1 2.95 0.014 . 1 . . . . 146 LYS HE2 . 6565 1 1089 . 1 1 130 130 LYS HE3 H 1 2.95 0.014 . 1 . . . . 146 LYS HE3 . 6565 1 1090 . 1 1 130 130 LYS C C 13 176.2 0.052 . 1 . . . . 146 LYS C . 6565 1 1091 . 1 1 130 130 LYS CA C 13 55.6 0.051 . 1 . . . . 146 LYS CA . 6565 1 1092 . 1 1 130 130 LYS CB C 13 32.0 0.045 . 1 . . . . 146 LYS CB . 6565 1 1093 . 1 1 130 130 LYS CG C 13 25.4 0.068 . 1 . . . . 146 LYS CG . 6565 1 1094 . 1 1 130 130 LYS CD C 13 28.0 0.055 . 1 . . . . 146 LYS CD . 6565 1 1095 . 1 1 130 130 LYS CE C 13 41.6 0.099 . 1 . . . . 146 LYS CE . 6565 1 1096 . 1 1 130 130 LYS N N 15 119.2 0.052 . 1 . . . . 146 LYS N . 6565 1 1097 . 1 1 131 131 LEU H H 1 7.38 0.007 . 1 . . . . 147 LEU H . 6565 1 1098 . 1 1 131 131 LEU HA H 1 4.54 0.010 . 1 . . . . 147 LEU HA . 6565 1 1099 . 1 1 131 131 LEU HB2 H 1 1.77 0.011 . 2 . . . . 147 LEU HB2 . 6565 1 1100 . 1 1 131 131 LEU HB3 H 1 1.71 0.015 . 2 . . . . 147 LEU HB3 . 6565 1 1101 . 1 1 131 131 LEU HG H 1 1.78 0.008 . 1 . . . . 147 LEU HG . 6565 1 1102 . 1 1 131 131 LEU HD11 H 1 0.84 0.008 . 2 . . . . 147 LEU HD1 . 6565 1 1103 . 1 1 131 131 LEU HD12 H 1 0.84 0.008 . 2 . . . . 147 LEU HD1 . 6565 1 1104 . 1 1 131 131 LEU HD13 H 1 0.84 0.008 . 2 . . . . 147 LEU HD1 . 6565 1 1105 . 1 1 131 131 LEU HD21 H 1 0.80 0.010 . 2 . . . . 147 LEU HD2 . 6565 1 1106 . 1 1 131 131 LEU HD22 H 1 0.80 0.010 . 2 . . . . 147 LEU HD2 . 6565 1 1107 . 1 1 131 131 LEU HD23 H 1 0.80 0.010 . 2 . . . . 147 LEU HD2 . 6565 1 1108 . 1 1 131 131 LEU CA C 13 53.2 0.096 . 1 . . . . 147 LEU CA . 6565 1 1109 . 1 1 131 131 LEU CB C 13 42.1 0.085 . 1 . . . . 147 LEU CB . 6565 1 1110 . 1 1 131 131 LEU CG C 13 29.4 0.073 . 1 . . . . 147 LEU CG . 6565 1 1111 . 1 1 131 131 LEU CD1 C 13 25.6 0.090 . 1 . . . . 147 LEU CD1 . 6565 1 1112 . 1 1 131 131 LEU CD2 C 13 25.6 0.015 . 1 . . . . 147 LEU CD2 . 6565 1 1113 . 1 1 131 131 LEU N N 15 122.2 0.043 . 1 . . . . 147 LEU N . 6565 1 1114 . 1 1 132 132 PRO HA H 1 4.35 0.007 . 1 . . . . 148 PRO HA . 6565 1 1115 . 1 1 132 132 PRO HB2 H 1 2.28 0.016 . 2 . . . . 148 PRO HB2 . 6565 1 1116 . 1 1 132 132 PRO HB3 H 1 1.82 0.023 . 2 . . . . 148 PRO HB3 . 6565 1 1117 . 1 1 132 132 PRO HG2 H 1 2.17 0.010 . 2 . . . . 148 PRO HG2 . 6565 1 1118 . 1 1 132 132 PRO HG3 H 1 2.05 0.007 . 2 . . . . 148 PRO HG3 . 6565 1 1119 . 1 1 132 132 PRO HD2 H 1 3.85 0.015 . 2 . . . . 148 PRO HD2 . 6565 1 1120 . 1 1 132 132 PRO HD3 H 1 3.67 0.019 . 2 . . . . 148 PRO HD3 . 6565 1 1121 . 1 1 132 132 PRO C C 13 176.2 0.052 . 1 . . . . 148 PRO C . 6565 1 1122 . 1 1 132 132 PRO CA C 13 62.3 0.077 . 1 . . . . 148 PRO CA . 6565 1 1123 . 1 1 132 132 PRO CB C 13 31.3 0.065 . 1 . . . . 148 PRO CB . 6565 1 1124 . 1 1 132 132 PRO CG C 13 27.1 0.094 . 1 . . . . 148 PRO CG . 6565 1 1125 . 1 1 132 132 PRO CD C 13 49.8 0.089 . 1 . . . . 148 PRO CD . 6565 1 1126 . 1 1 133 133 CYS H H 1 9.12 0.004 . 1 . . . . 149 CYS H . 6565 1 1127 . 1 1 133 133 CYS HA H 1 5.32 0.014 . 1 . . . . 149 CYS HA . 6565 1 1128 . 1 1 133 133 CYS HB2 H 1 3.01 0.013 . 2 . . . . 149 CYS HB2 . 6565 1 1129 . 1 1 133 133 CYS HB3 H 1 2.80 0.011 . 2 . . . . 149 CYS HB3 . 6565 1 1130 . 1 1 133 133 CYS C C 13 172.3 0.052 . 1 . . . . 149 CYS C . 6565 1 1131 . 1 1 133 133 CYS CA C 13 53.2 0.106 . 1 . . . . 149 CYS CA . 6565 1 1132 . 1 1 133 133 CYS CB C 13 33.7 0.112 . 1 . . . . 149 CYS CB . 6565 1 1133 . 1 1 133 133 CYS N N 15 120.9 0.040 . 1 . . . . 149 CYS N . 6565 1 1134 . 1 1 134 134 ASN H H 1 7.57 0.005 . 1 . . . . 150 ASN H . 6565 1 1135 . 1 1 134 134 ASN HA H 1 4.32 0.012 . 1 . . . . 150 ASN HA . 6565 1 1136 . 1 1 134 134 ASN HB2 H 1 3.14 0.009 . 2 . . . . 150 ASN HB2 . 6565 1 1137 . 1 1 134 134 ASN HB3 H 1 3.02 0.017 . 2 . . . . 150 ASN HB3 . 6565 1 1138 . 1 1 134 134 ASN HD21 H 1 7.66 0.003 . 1 . . . . 150 ASN HD21 . 6565 1 1139 . 1 1 134 134 ASN HD22 H 1 7.18 0.005 . 1 . . . . 150 ASN HD22 . 6565 1 1140 . 1 1 134 134 ASN C C 13 173.7 0.052 . 1 . . . . 150 ASN C . 6565 1 1141 . 1 1 134 134 ASN CA C 13 50.8 0.071 . 1 . . . . 150 ASN CA . 6565 1 1142 . 1 1 134 134 ASN CB C 13 38.3 0.135 . 1 . . . . 150 ASN CB . 6565 1 1143 . 1 1 134 134 ASN N N 15 125.8 0.036 . 1 . . . . 150 ASN N . 6565 1 1144 . 1 1 134 134 ASN ND2 N 15 113.5 0.045 . 1 . . . . 150 ASN ND2 . 6565 1 1145 . 1 1 135 135 ASP H H 1 7.99 0.005 . 1 . . . . 151 ASP H . 6565 1 1146 . 1 1 135 135 ASP HA H 1 3.02 0.009 . 1 . . . . 151 ASP HA . 6565 1 1147 . 1 1 135 135 ASP HB2 H 1 2.55 0.010 . 2 . . . . 151 ASP HB2 . 6565 1 1148 . 1 1 135 135 ASP HB3 H 1 1.93 0.012 . 2 . . . . 151 ASP HB3 . 6565 1 1149 . 1 1 135 135 ASP C C 13 176.2 0.052 . 1 . . . . 151 ASP C . 6565 1 1150 . 1 1 135 135 ASP CA C 13 54.8 0.078 . 1 . . . . 151 ASP CA . 6565 1 1151 . 1 1 135 135 ASP CB C 13 39.0 0.087 . 1 . . . . 151 ASP CB . 6565 1 1152 . 1 1 135 135 ASP N N 15 114.6 0.030 . 1 . . . . 151 ASP N . 6565 1 1153 . 1 1 136 136 GLU H H 1 7.87 0.005 . 1 . . . . 152 GLU H . 6565 1 1154 . 1 1 136 136 GLU HA H 1 4.32 0.009 . 1 . . . . 152 GLU HA . 6565 1 1155 . 1 1 136 136 GLU HB2 H 1 2.20 0.011 . 2 . . . . 152 GLU HB2 . 6565 1 1156 . 1 1 136 136 GLU HB3 H 1 1.93 0.011 . 2 . . . . 152 GLU HB3 . 6565 1 1157 . 1 1 136 136 GLU HG2 H 1 2.19 0.004 . 1 . . . . 152 GLU HG2 . 6565 1 1158 . 1 1 136 136 GLU HG3 H 1 2.19 0.004 . 1 . . . . 152 GLU HG3 . 6565 1 1159 . 1 1 136 136 GLU C C 13 176.2 0.052 . 1 . . . . 152 GLU C . 6565 1 1160 . 1 1 136 136 GLU CA C 13 55.9 0.082 . 1 . . . . 152 GLU CA . 6565 1 1161 . 1 1 136 136 GLU CB C 13 29.7 0.055 . 1 . . . . 152 GLU CB . 6565 1 1162 . 1 1 136 136 GLU CG C 13 36.7 0.061 . 1 . . . . 152 GLU CG . 6565 1 1163 . 1 1 136 136 GLU N N 15 118.0 0.054 . 1 . . . . 152 GLU N . 6565 1 1164 . 1 1 137 137 HIS H H 1 8.53 0.005 . 1 . . . . 153 HIS H . 6565 1 1165 . 1 1 137 137 HIS HA H 1 4.50 0.011 . 1 . . . . 153 HIS HA . 6565 1 1166 . 1 1 137 137 HIS HB2 H 1 3.62 0.017 . 1 . . . . 153 HIS HB2 . 6565 1 1167 . 1 1 137 137 HIS HB3 H 1 3.62 0.017 . 1 . . . . 153 HIS HB3 . 6565 1 1168 . 1 1 137 137 HIS HD2 H 1 7.21 0.014 . 1 . . . . 153 HIS HD2 . 6565 1 1169 . 1 1 137 137 HIS HE1 H 1 7.64 0.031 . 1 . . . . 153 HIS HE1 . 6565 1 1170 . 1 1 137 137 HIS HE2 H 1 10.69 0.004 . 1 . . . . 153 HIS HE2 . 6565 1 1171 . 1 1 137 137 HIS CA C 13 55.7 0.077 . 1 . . . . 153 HIS CA . 6565 1 1172 . 1 1 137 137 HIS CB C 13 32.5 0.079 . 1 . . . . 153 HIS CB . 6565 1 1173 . 1 1 137 137 HIS CD2 C 13 120.0 0.125 . 1 . . . . 153 HIS CD2 . 6565 1 1174 . 1 1 137 137 HIS CE1 C 13 137.6 0.010 . 1 . . . . 153 HIS CE1 . 6565 1 1175 . 1 1 137 137 HIS N N 15 126.7 0.039 . 1 . . . . 153 HIS N . 6565 1 1176 . 1 1 137 137 HIS NE2 N 15 163.7 0.062 . 1 . . . . 153 HIS NE2 . 6565 1 1177 . 1 1 138 138 PRO HA H 1 4.47 0.010 . 1 . . . . 154 PRO HA . 6565 1 1178 . 1 1 138 138 PRO HB2 H 1 2.51 0.007 . 2 . . . . 154 PRO HB2 . 6565 1 1179 . 1 1 138 138 PRO HB3 H 1 2.05 0.009 . 2 . . . . 154 PRO HB3 . 6565 1 1180 . 1 1 138 138 PRO HG2 H 1 1.92 0.011 . 1 . . . . 154 PRO HG2 . 6565 1 1181 . 1 1 138 138 PRO HG3 H 1 1.92 0.011 . 1 . . . . 154 PRO HG3 . 6565 1 1182 . 1 1 138 138 PRO HD2 H 1 3.61 0.013 . 2 . . . . 154 PRO HD2 . 6565 1 1183 . 1 1 138 138 PRO HD3 H 1 2.89 0.015 . 2 . . . . 154 PRO HD3 . 6565 1 1184 . 1 1 138 138 PRO C C 13 177.4 0.052 . 1 . . . . 154 PRO C . 6565 1 1185 . 1 1 138 138 PRO CA C 13 64.7 0.088 . 1 . . . . 154 PRO CA . 6565 1 1186 . 1 1 138 138 PRO CB C 13 31.6 0.068 . 1 . . . . 154 PRO CB . 6565 1 1187 . 1 1 138 138 PRO CG C 13 27.6 0.077 . 1 . . . . 154 PRO CG . 6565 1 1188 . 1 1 138 138 PRO CD C 13 50.1 0.150 . 1 . . . . 154 PRO CD . 6565 1 1189 . 1 1 139 139 CYS H H 1 11.10 0.003 . 1 . . . . 155 CYS H . 6565 1 1190 . 1 1 139 139 CYS HA H 1 4.37 0.011 . 1 . . . . 155 CYS HA . 6565 1 1191 . 1 1 139 139 CYS HB2 H 1 3.37 0.018 . 2 . . . . 155 CYS HB2 . 6565 1 1192 . 1 1 139 139 CYS HB3 H 1 2.94 0.013 . 2 . . . . 155 CYS HB3 . 6565 1 1193 . 1 1 139 139 CYS C C 13 172.3 0.052 . 1 . . . . 155 CYS C . 6565 1 1194 . 1 1 139 139 CYS CA C 13 52.5 0.087 . 1 . . . . 155 CYS CA . 6565 1 1195 . 1 1 139 139 CYS CB C 13 44.3 0.160 . 1 . . . . 155 CYS CB . 6565 1 1196 . 1 1 139 139 CYS N N 15 116.2 0.037 . 1 . . . . 155 CYS N . 6565 1 1197 . 1 1 140 140 TYR H H 1 7.58 0.005 . 1 . . . . 156 TYR H . 6565 1 1198 . 1 1 140 140 TYR HA H 1 4.71 0.011 . 1 . . . . 156 TYR HA . 6565 1 1199 . 1 1 140 140 TYR HB2 H 1 3.49 0.017 . 2 . . . . 156 TYR HB2 . 6565 1 1200 . 1 1 140 140 TYR HB3 H 1 2.82 0.018 . 2 . . . . 156 TYR HB3 . 6565 1 1201 . 1 1 140 140 TYR HD1 H 1 6.77 0.015 . 1 . . . . 156 TYR HD1 . 6565 1 1202 . 1 1 140 140 TYR HD2 H 1 6.77 0.015 . 1 . . . . 156 TYR HD2 . 6565 1 1203 . 1 1 140 140 TYR HE1 H 1 6.63 0.011 . 1 . . . . 156 TYR HE1 . 6565 1 1204 . 1 1 140 140 TYR HE2 H 1 6.63 0.011 . 1 . . . . 156 TYR HE2 . 6565 1 1205 . 1 1 140 140 TYR C C 13 175.9 0.052 . 1 . . . . 156 TYR C . 6565 1 1206 . 1 1 140 140 TYR CA C 13 59.5 0.098 . 1 . . . . 156 TYR CA . 6565 1 1207 . 1 1 140 140 TYR CB C 13 38.9 0.187 . 1 . . . . 156 TYR CB . 6565 1 1208 . 1 1 140 140 TYR CD1 C 13 133.1 0.112 . 1 . . . . 156 TYR CD1 . 6565 1 1209 . 1 1 140 140 TYR CD2 C 13 133.1 0.112 . 1 . . . . 156 TYR CD2 . 6565 1 1210 . 1 1 140 140 TYR CE1 C 13 117.1 0.059 . 1 . . . . 156 TYR CE1 . 6565 1 1211 . 1 1 140 140 TYR CE2 C 13 117.1 0.059 . 1 . . . . 156 TYR CE2 . 6565 1 1212 . 1 1 140 140 TYR N N 15 120.3 0.033 . 1 . . . . 156 TYR N . 6565 1 1213 . 1 1 141 141 ARG H H 1 8.14 0.004 . 1 . . . . 157 ARG H . 6565 1 1214 . 1 1 141 141 ARG HA H 1 4.06 0.011 . 1 . . . . 157 ARG HA . 6565 1 1215 . 1 1 141 141 ARG HB2 H 1 1.92 0.010 . 2 . . . . 157 ARG HB2 . 6565 1 1216 . 1 1 141 141 ARG HB3 H 1 1.73 0.023 . 2 . . . . 157 ARG HB3 . 6565 1 1217 . 1 1 141 141 ARG HG2 H 1 1.53 0.007 . 2 . . . . 157 ARG HG2 . 6565 1 1218 . 1 1 141 141 ARG HG3 H 1 1.39 0.015 . 2 . . . . 157 ARG HG3 . 6565 1 1219 . 1 1 141 141 ARG HD2 H 1 3.35 0.010 . 2 . . . . 157 ARG HD2 . 6565 1 1220 . 1 1 141 141 ARG HD3 H 1 2.80 0.013 . 2 . . . . 157 ARG HD3 . 6565 1 1221 . 1 1 141 141 ARG HE H 1 7.08 0.004 . 1 . . . . 157 ARG HE . 6565 1 1222 . 1 1 141 141 ARG HH11 H 1 6.71 0.014 . 1 . . . . 157 ARG HH11 . 6565 1 1223 . 1 1 141 141 ARG HH12 H 1 6.71 0.014 . 1 . . . . 157 ARG HH12 . 6565 1 1224 . 1 1 141 141 ARG HH21 H 1 6.36 0.002 . 1 . . . . 157 ARG HH21 . 6565 1 1225 . 1 1 141 141 ARG HH22 H 1 6.36 0.002 . 1 . . . . 157 ARG HH22 . 6565 1 1226 . 1 1 141 141 ARG C C 13 172.3 0.052 . 1 . . . . 157 ARG C . 6565 1 1227 . 1 1 141 141 ARG CA C 13 54.9 0.097 . 1 . . . . 157 ARG CA . 6565 1 1228 . 1 1 141 141 ARG CB C 13 32.1 0.115 . 1 . . . . 157 ARG CB . 6565 1 1229 . 1 1 141 141 ARG CG C 13 25.8 0.061 . 1 . . . . 157 ARG CG . 6565 1 1230 . 1 1 141 141 ARG CD C 13 43.2 0.119 . 1 . . . . 157 ARG CD . 6565 1 1231 . 1 1 141 141 ARG CZ C 13 158.7 0.052 . 1 . . . . 157 ARG CZ . 6565 1 1232 . 1 1 141 141 ARG N N 15 126.6 0.039 . 1 . . . . 157 ARG N . 6565 1 1233 . 1 1 141 141 ARG NE N 15 85.2 0.042 . 1 . . . . 157 ARG NE . 6565 1 1234 . 1 1 142 142 LYS H H 1 8.28 0.004 . 1 . . . . 158 LYS H . 6565 1 1235 . 1 1 142 142 LYS HA H 1 4.73 0.011 . 1 . . . . 158 LYS HA . 6565 1 1236 . 1 1 142 142 LYS HB2 H 1 1.58 0.010 . 2 . . . . 158 LYS HB2 . 6565 1 1237 . 1 1 142 142 LYS HB3 H 1 1.38 0.010 . 2 . . . . 158 LYS HB3 . 6565 1 1238 . 1 1 142 142 LYS HG2 H 1 1.07 0.008 . 2 . . . . 158 LYS HG2 . 6565 1 1239 . 1 1 142 142 LYS HG3 H 1 0.96 0.024 . 2 . . . . 158 LYS HG3 . 6565 1 1240 . 1 1 142 142 LYS HD2 H 1 1.60 0.004 . 1 . . . . 158 LYS HD2 . 6565 1 1241 . 1 1 142 142 LYS HD3 H 1 1.60 0.004 . 1 . . . . 158 LYS HD3 . 6565 1 1242 . 1 1 142 142 LYS HE2 H 1 2.88 0.008 . 1 . . . . 158 LYS HE2 . 6565 1 1243 . 1 1 142 142 LYS HE3 H 1 2.88 0.008 . 1 . . . . 158 LYS HE3 . 6565 1 1244 . 1 1 142 142 LYS C C 13 175.2 0.052 . 1 . . . . 158 LYS C . 6565 1 1245 . 1 1 142 142 LYS CA C 13 54.6 0.071 . 1 . . . . 158 LYS CA . 6565 1 1246 . 1 1 142 142 LYS CB C 13 33.7 0.076 . 1 . . . . 158 LYS CB . 6565 1 1247 . 1 1 142 142 LYS CG C 13 24.8 0.058 . 1 . . . . 158 LYS CG . 6565 1 1248 . 1 1 142 142 LYS CD C 13 29.1 0.082 . 1 . . . . 158 LYS CD . 6565 1 1249 . 1 1 142 142 LYS CE C 13 41.3 0.072 . 1 . . . . 158 LYS CE . 6565 1 1250 . 1 1 142 142 LYS N N 15 120.5 0.027 . 1 . . . . 158 LYS N . 6565 1 1251 . 1 1 143 143 GLU H H 1 8.35 0.003 . 1 . . . . 159 GLU H . 6565 1 1252 . 1 1 143 143 GLU HA H 1 4.55 0.008 . 1 . . . . 159 GLU HA . 6565 1 1253 . 1 1 143 143 GLU HB2 H 1 1.91 0.011 . 2 . . . . 159 GLU HB2 . 6565 1 1254 . 1 1 143 143 GLU HB3 H 1 1.85 0.008 . 2 . . . . 159 GLU HB3 . 6565 1 1255 . 1 1 143 143 GLU HG2 H 1 2.10 0.012 . 1 . . . . 159 GLU HG2 . 6565 1 1256 . 1 1 143 143 GLU HG3 H 1 2.10 0.012 . 1 . . . . 159 GLU HG3 . 6565 1 1257 . 1 1 143 143 GLU CA C 13 54.6 0.042 . 1 . . . . 159 GLU CA . 6565 1 1258 . 1 1 143 143 GLU CB C 13 31.2 0.076 . 1 . . . . 159 GLU CB . 6565 1 1259 . 1 1 143 143 GLU CG C 13 35.6 0.122 . 1 . . . . 159 GLU CG . 6565 1 1260 . 1 1 143 143 GLU N N 15 125.7 0.027 . 1 . . . . 159 GLU N . 6565 1 1261 . 1 1 144 144 GLY H H 1 9.24 0.009 . 1 . . . . 160 GLY H . 6565 1 1262 . 1 1 144 144 GLY HA2 H 1 3.86 0.012 . 1 . . . . 160 GLY HA2 . 6565 1 1263 . 1 1 144 144 GLY HA3 H 1 3.86 0.012 . 1 . . . . 160 GLY HA3 . 6565 1 1264 . 1 1 144 144 GLY C C 13 175.0 0.052 . 1 . . . . 160 GLY C . 6565 1 1265 . 1 1 144 144 GLY CA C 13 46.7 0.118 . 1 . . . . 160 GLY CA . 6565 1 1266 . 1 1 144 144 GLY N N 15 117.4 0.018 . 1 . . . . 160 GLY N . 6565 1 1267 . 1 1 145 145 GLY H H 1 8.56 0.006 . 1 . . . . 161 GLY H . 6565 1 1268 . 1 1 145 145 GLY HA2 H 1 4.12 0.008 . 2 . . . . 161 GLY HA2 . 6565 1 1269 . 1 1 145 145 GLY HA3 H 1 3.63 0.010 . 2 . . . . 161 GLY HA3 . 6565 1 1270 . 1 1 145 145 GLY C C 13 173.1 0.052 . 1 . . . . 161 GLY C . 6565 1 1271 . 1 1 145 145 GLY CA C 13 44.6 0.099 . 1 . . . . 161 GLY CA . 6565 1 1272 . 1 1 145 145 GLY N N 15 106.3 0.028 . 1 . . . . 161 GLY N . 6565 1 1273 . 1 1 146 146 VAL H H 1 7.61 0.004 . 1 . . . . 162 VAL H . 6565 1 1274 . 1 1 146 146 VAL HA H 1 4.22 0.009 . 1 . . . . 162 VAL HA . 6565 1 1275 . 1 1 146 146 VAL HB H 1 2.12 0.012 . 1 . . . . 162 VAL HB . 6565 1 1276 . 1 1 146 146 VAL HG11 H 1 0.90 0.005 . 2 . . . . 162 VAL HG1 . 6565 1 1277 . 1 1 146 146 VAL HG12 H 1 0.90 0.005 . 2 . . . . 162 VAL HG1 . 6565 1 1278 . 1 1 146 146 VAL HG13 H 1 0.90 0.005 . 2 . . . . 162 VAL HG1 . 6565 1 1279 . 1 1 146 146 VAL HG21 H 1 0.90 0.006 . 2 . . . . 162 VAL HG2 . 6565 1 1280 . 1 1 146 146 VAL HG22 H 1 0.90 0.006 . 2 . . . . 162 VAL HG2 . 6565 1 1281 . 1 1 146 146 VAL HG23 H 1 0.90 0.006 . 2 . . . . 162 VAL HG2 . 6565 1 1282 . 1 1 146 146 VAL C C 13 175.0 0.052 . 1 . . . . 162 VAL C . 6565 1 1283 . 1 1 146 146 VAL CA C 13 61.3 0.061 . 1 . . . . 162 VAL CA . 6565 1 1284 . 1 1 146 146 VAL CB C 13 33.3 0.072 . 1 . . . . 162 VAL CB . 6565 1 1285 . 1 1 146 146 VAL CG1 C 13 20.9 0.024 . 2 . . . . 162 VAL CG1 . 6565 1 1286 . 1 1 146 146 VAL CG2 C 13 20.3 0.026 . 2 . . . . 162 VAL CG2 . 6565 1 1287 . 1 1 146 146 VAL N N 15 121.1 0.011 . 1 . . . . 162 VAL N . 6565 1 1288 . 1 1 147 147 VAL H H 1 8.53 0.002 . 1 . . . . 163 VAL H . 6565 1 1289 . 1 1 147 147 VAL HA H 1 4.37 0.011 . 1 . . . . 163 VAL HA . 6565 1 1290 . 1 1 147 147 VAL HB H 1 1.86 0.009 . 1 . . . . 163 VAL HB . 6565 1 1291 . 1 1 147 147 VAL HG11 H 1 0.83 0.012 . 2 . . . . 163 VAL HG1 . 6565 1 1292 . 1 1 147 147 VAL HG12 H 1 0.83 0.012 . 2 . . . . 163 VAL HG1 . 6565 1 1293 . 1 1 147 147 VAL HG13 H 1 0.83 0.012 . 2 . . . . 163 VAL HG1 . 6565 1 1294 . 1 1 147 147 VAL HG21 H 1 0.94 0.010 . 2 . . . . 163 VAL HG2 . 6565 1 1295 . 1 1 147 147 VAL HG22 H 1 0.94 0.010 . 2 . . . . 163 VAL HG2 . 6565 1 1296 . 1 1 147 147 VAL HG23 H 1 0.94 0.010 . 2 . . . . 163 VAL HG2 . 6565 1 1297 . 1 1 147 147 VAL C C 13 175.7 0.052 . 1 . . . . 163 VAL C . 6565 1 1298 . 1 1 147 147 VAL CA C 13 61.7 0.086 . 1 . . . . 163 VAL CA . 6565 1 1299 . 1 1 147 147 VAL CB C 13 32.9 0.038 . 1 . . . . 163 VAL CB . 6565 1 1300 . 1 1 147 147 VAL CG1 C 13 22.3 0.077 . 2 . . . . 163 VAL CG1 . 6565 1 1301 . 1 1 147 147 VAL CG2 C 13 21.5 0.059 . 2 . . . . 163 VAL CG2 . 6565 1 1302 . 1 1 147 147 VAL N N 15 127.9 0.024 . 1 . . . . 163 VAL N . 6565 1 1303 . 1 1 148 148 SER H H 1 8.40 0.003 . 1 . . . . 164 SER H . 6565 1 1304 . 1 1 148 148 SER HA H 1 4.49 0.011 . 1 . . . . 164 SER HA . 6565 1 1305 . 1 1 148 148 SER HB2 H 1 3.73 0.010 . 2 . . . . 164 SER HB2 . 6565 1 1306 . 1 1 148 148 SER HB3 H 1 3.28 0.005 . 2 . . . . 164 SER HB3 . 6565 1 1307 . 1 1 148 148 SER C C 13 172.8 0.052 . 1 . . . . 164 SER C . 6565 1 1308 . 1 1 148 148 SER CA C 13 56.5 0.049 . 1 . . . . 164 SER CA . 6565 1 1309 . 1 1 148 148 SER CB C 13 65.2 0.055 . 1 . . . . 164 SER CB . 6565 1 1310 . 1 1 148 148 SER N N 15 120.1 0.024 . 1 . . . . 164 SER N . 6565 1 1311 . 1 1 149 149 CYS H H 1 8.61 0.002 . 1 . . . . 165 CYS H . 6565 1 1312 . 1 1 149 149 CYS HA H 1 4.46 0.015 . 1 . . . . 165 CYS HA . 6565 1 1313 . 1 1 149 149 CYS HB2 H 1 2.20 0.010 . 2 . . . . 165 CYS HB2 . 6565 1 1314 . 1 1 149 149 CYS HB3 H 1 1.76 0.013 . 2 . . . . 165 CYS HB3 . 6565 1 1315 . 1 1 149 149 CYS C C 13 173.0 0.052 . 1 . . . . 165 CYS C . 6565 1 1316 . 1 1 149 149 CYS CA C 13 56.2 0.119 . 1 . . . . 165 CYS CA . 6565 1 1317 . 1 1 149 149 CYS CB C 13 40.0 0.106 . 1 . . . . 165 CYS CB . 6565 1 1318 . 1 1 149 149 CYS N N 15 119.9 0.037 . 1 . . . . 165 CYS N . 6565 1 1319 . 1 1 150 150 ASP H H 1 7.98 0.004 . 1 . . . . 166 ASP H . 6565 1 1320 . 1 1 150 150 ASP HA H 1 4.42 0.007 . 1 . . . . 166 ASP HA . 6565 1 1321 . 1 1 150 150 ASP HB2 H 1 2.96 0.006 . 2 . . . . 166 ASP HB2 . 6565 1 1322 . 1 1 150 150 ASP HB3 H 1 2.42 0.012 . 2 . . . . 166 ASP HB3 . 6565 1 1323 . 1 1 150 150 ASP C C 13 177.5 0.052 . 1 . . . . 166 ASP C . 6565 1 1324 . 1 1 150 150 ASP CA C 13 54.0 0.038 . 1 . . . . 166 ASP CA . 6565 1 1325 . 1 1 150 150 ASP CB C 13 40.7 0.050 . 1 . . . . 166 ASP CB . 6565 1 1326 . 1 1 150 150 ASP N N 15 120.4 0.039 . 1 . . . . 166 ASP N . 6565 1 1327 . 1 1 151 151 CYS H H 1 9.08 0.005 . 1 . . . . 167 CYS H . 6565 1 1328 . 1 1 151 151 CYS HA H 1 4.39 0.013 . 1 . . . . 167 CYS HA . 6565 1 1329 . 1 1 151 151 CYS HB2 H 1 3.61 0.009 . 2 . . . . 167 CYS HB2 . 6565 1 1330 . 1 1 151 151 CYS HB3 H 1 2.91 0.017 . 2 . . . . 167 CYS HB3 . 6565 1 1331 . 1 1 151 151 CYS C C 13 176.3 0.052 . 1 . . . . 167 CYS C . 6565 1 1332 . 1 1 151 151 CYS CA C 13 57.3 0.116 . 1 . . . . 167 CYS CA . 6565 1 1333 . 1 1 151 151 CYS CB C 13 42.9 0.077 . 1 . . . . 167 CYS CB . 6565 1 1334 . 1 1 151 151 CYS N N 15 127.3 0.043 . 1 . . . . 167 CYS N . 6565 1 1335 . 1 1 152 152 LYS H H 1 8.62 0.006 . 1 . . . . 168 LYS H . 6565 1 1336 . 1 1 152 152 LYS HA H 1 4.41 0.010 . 1 . . . . 168 LYS HA . 6565 1 1337 . 1 1 152 152 LYS HB2 H 1 2.08 0.010 . 2 . . . . 168 LYS HB2 . 6565 1 1338 . 1 1 152 152 LYS HB3 H 1 2.01 0.005 . 2 . . . . 168 LYS HB3 . 6565 1 1339 . 1 1 152 152 LYS HG2 H 1 1.57 0.005 . 2 . . . . 168 LYS HG2 . 6565 1 1340 . 1 1 152 152 LYS HG3 H 1 1.49 0.005 . 2 . . . . 168 LYS HG3 . 6565 1 1341 . 1 1 152 152 LYS HD2 H 1 1.74 0.012 . 1 . . . . 168 LYS HD2 . 6565 1 1342 . 1 1 152 152 LYS HD3 H 1 1.74 0.012 . 1 . . . . 168 LYS HD3 . 6565 1 1343 . 1 1 152 152 LYS HE2 H 1 3.05 0.008 . 1 . . . . 168 LYS HE2 . 6565 1 1344 . 1 1 152 152 LYS HE3 H 1 3.05 0.008 . 1 . . . . 168 LYS HE3 . 6565 1 1345 . 1 1 152 152 LYS C C 13 177.7 0.052 . 1 . . . . 168 LYS C . 6565 1 1346 . 1 1 152 152 LYS CA C 13 56.9 0.063 . 1 . . . . 168 LYS CA . 6565 1 1347 . 1 1 152 152 LYS CB C 13 31.2 0.087 . 1 . . . . 168 LYS CB . 6565 1 1348 . 1 1 152 152 LYS CG C 13 25.2 0.048 . 1 . . . . 168 LYS CG . 6565 1 1349 . 1 1 152 152 LYS CD C 13 28.0 0.072 . 1 . . . . 168 LYS CD . 6565 1 1350 . 1 1 152 152 LYS CE C 13 41.6 0.032 . 1 . . . . 168 LYS CE . 6565 1 1351 . 1 1 152 152 LYS N N 15 115.5 0.038 . 1 . . . . 168 LYS N . 6565 1 1352 . 1 1 153 153 THR H H 1 7.16 0.005 . 1 . . . . 169 THR H . 6565 1 1353 . 1 1 153 153 THR HA H 1 4.29 0.010 . 1 . . . . 169 THR HA . 6565 1 1354 . 1 1 153 153 THR HB H 1 4.46 0.007 . 1 . . . . 169 THR HB . 6565 1 1355 . 1 1 153 153 THR HG21 H 1 1.11 0.010 . 1 . . . . 169 THR HG2 . 6565 1 1356 . 1 1 153 153 THR HG22 H 1 1.11 0.010 . 1 . . . . 169 THR HG2 . 6565 1 1357 . 1 1 153 153 THR HG23 H 1 1.11 0.010 . 1 . . . . 169 THR HG2 . 6565 1 1358 . 1 1 153 153 THR C C 13 174.4 0.052 . 1 . . . . 169 THR C . 6565 1 1359 . 1 1 153 153 THR CA C 13 60.8 0.052 . 1 . . . . 169 THR CA . 6565 1 1360 . 1 1 153 153 THR CB C 13 67.5 0.047 . 1 . . . . 169 THR CB . 6565 1 1361 . 1 1 153 153 THR CG2 C 13 21.9 0.033 . 1 . . . . 169 THR CG2 . 6565 1 1362 . 1 1 153 153 THR N N 15 106.5 0.045 . 1 . . . . 169 THR N . 6565 1 1363 . 1 1 154 154 ILE H H 1 6.87 0.004 . 1 . . . . 170 ILE H . 6565 1 1364 . 1 1 154 154 ILE HA H 1 4.11 0.012 . 1 . . . . 170 ILE HA . 6565 1 1365 . 1 1 154 154 ILE HB H 1 1.65 0.016 . 1 . . . . 170 ILE HB . 6565 1 1366 . 1 1 154 154 ILE HG12 H 1 1.73 0.020 . 2 . . . . 170 ILE HG12 . 6565 1 1367 . 1 1 154 154 ILE HG13 H 1 0.67 0.012 . 2 . . . . 170 ILE HG13 . 6565 1 1368 . 1 1 154 154 ILE HG21 H 1 0.87 0.016 . 1 . . . . 170 ILE HG2 . 6565 1 1369 . 1 1 154 154 ILE HG22 H 1 0.87 0.016 . 1 . . . . 170 ILE HG2 . 6565 1 1370 . 1 1 154 154 ILE HG23 H 1 0.87 0.016 . 1 . . . . 170 ILE HG2 . 6565 1 1371 . 1 1 154 154 ILE HD11 H 1 0.69 0.013 . 1 . . . . 170 ILE HD1 . 6565 1 1372 . 1 1 154 154 ILE HD12 H 1 0.69 0.013 . 1 . . . . 170 ILE HD1 . 6565 1 1373 . 1 1 154 154 ILE HD13 H 1 0.69 0.013 . 1 . . . . 170 ILE HD1 . 6565 1 1374 . 1 1 154 154 ILE C C 13 175.5 0.052 . 1 . . . . 170 ILE C . 6565 1 1375 . 1 1 154 154 ILE CA C 13 60.6 0.116 . 1 . . . . 170 ILE CA . 6565 1 1376 . 1 1 154 154 ILE CB C 13 38.1 0.093 . 1 . . . . 170 ILE CB . 6565 1 1377 . 1 1 154 154 ILE CG1 C 13 26.7 0.096 . 1 . . . . 170 ILE CG1 . 6565 1 1378 . 1 1 154 154 ILE CG2 C 13 17.1 0.053 . 1 . . . . 170 ILE CG2 . 6565 1 1379 . 1 1 154 154 ILE CD1 C 13 13.3 0.103 . 1 . . . . 170 ILE CD1 . 6565 1 1380 . 1 1 154 154 ILE N N 15 123.5 0.035 . 1 . . . . 170 ILE N . 6565 1 1381 . 1 1 155 155 THR H H 1 8.78 0.005 . 1 . . . . 171 THR H . 6565 1 1382 . 1 1 155 155 THR HA H 1 3.86 0.007 . 1 . . . . 171 THR HA . 6565 1 1383 . 1 1 155 155 THR HB H 1 3.94 0.006 . 1 . . . . 171 THR HB . 6565 1 1384 . 1 1 155 155 THR HG21 H 1 1.17 0.011 . 1 . . . . 171 THR HG2 . 6565 1 1385 . 1 1 155 155 THR HG22 H 1 1.17 0.011 . 1 . . . . 171 THR HG2 . 6565 1 1386 . 1 1 155 155 THR HG23 H 1 1.17 0.011 . 1 . . . . 171 THR HG2 . 6565 1 1387 . 1 1 155 155 THR C C 13 174.2 0.052 . 1 . . . . 171 THR C . 6565 1 1388 . 1 1 155 155 THR CA C 13 64.4 0.074 . 1 . . . . 171 THR CA . 6565 1 1389 . 1 1 155 155 THR CB C 13 68.7 0.070 . 1 . . . . 171 THR CB . 6565 1 1390 . 1 1 155 155 THR CG2 C 13 22.0 0.047 . 1 . . . . 171 THR CG2 . 6565 1 1391 . 1 1 155 155 THR N N 15 125.7 0.041 . 1 . . . . 171 THR N . 6565 1 1392 . 1 1 156 156 CYS H H 1 9.33 0.006 . 1 . . . . 172 CYS H . 6565 1 1393 . 1 1 156 156 CYS HA H 1 5.18 0.017 . 1 . . . . 172 CYS HA . 6565 1 1394 . 1 1 156 156 CYS HB2 H 1 3.11 0.006 . 2 . . . . 172 CYS HB2 . 6565 1 1395 . 1 1 156 156 CYS HB3 H 1 2.82 0.018 . 2 . . . . 172 CYS HB3 . 6565 1 1396 . 1 1 156 156 CYS C C 13 171.9 0.052 . 1 . . . . 172 CYS C . 6565 1 1397 . 1 1 156 156 CYS CA C 13 54.3 0.145 . 1 . . . . 172 CYS CA . 6565 1 1398 . 1 1 156 156 CYS CB C 13 33.5 0.044 . 1 . . . . 172 CYS CB . 6565 1 1399 . 1 1 156 156 CYS N N 15 124.1 0.041 . 1 . . . . 172 CYS N . 6565 1 1400 . 1 1 157 157 ASN H H 1 7.79 0.004 . 1 . . . . 173 ASN H . 6565 1 1401 . 1 1 157 157 ASN HA H 1 4.33 0.010 . 1 . . . . 173 ASN HA . 6565 1 1402 . 1 1 157 157 ASN HB2 H 1 3.13 0.016 . 1 . . . . 173 ASN HB2 . 6565 1 1403 . 1 1 157 157 ASN HB3 H 1 3.13 0.016 . 1 . . . . 173 ASN HB3 . 6565 1 1404 . 1 1 157 157 ASN HD21 H 1 7.73 0.006 . 1 . . . . 173 ASN HD21 . 6565 1 1405 . 1 1 157 157 ASN HD22 H 1 7.19 0.004 . 1 . . . . 173 ASN HD22 . 6565 1 1406 . 1 1 157 157 ASN CA C 13 51.0 0.113 . 1 . . . . 173 ASN CA . 6565 1 1407 . 1 1 157 157 ASN CB C 13 37.7 0.192 . 1 . . . . 173 ASN CB . 6565 1 1408 . 1 1 157 157 ASN N N 15 127.6 0.056 . 1 . . . . 173 ASN N . 6565 1 1409 . 1 1 157 157 ASN ND2 N 15 113.7 0.054 . 1 . . . . 173 ASN ND2 . 6565 1 1410 . 1 1 158 158 GLU H H 1 9.05 0.006 . 1 . . . . 174 GLU H . 6565 1 1411 . 1 1 158 158 GLU HA H 1 2.66 0.011 . 1 . . . . 174 GLU HA . 6565 1 1412 . 1 1 158 158 GLU HB2 H 1 1.63 0.013 . 1 . . . . 174 GLU HB2 . 6565 1 1413 . 1 1 158 158 GLU HB3 H 1 1.63 0.013 . 1 . . . . 174 GLU HB3 . 6565 1 1414 . 1 1 158 158 GLU HG2 H 1 2.01 0.011 . 2 . . . . 174 GLU HG2 . 6565 1 1415 . 1 1 158 158 GLU HG3 H 1 1.77 0.008 . 2 . . . . 174 GLU HG3 . 6565 1 1416 . 1 1 158 158 GLU C C 13 175.7 0.052 . 1 . . . . 174 GLU C . 6565 1 1417 . 1 1 158 158 GLU CA C 13 58.5 0.071 . 1 . . . . 174 GLU CA . 6565 1 1418 . 1 1 158 158 GLU CB C 13 28.2 0.046 . 1 . . . . 174 GLU CB . 6565 1 1419 . 1 1 158 158 GLU CG C 13 36.0 0.034 . 1 . . . . 174 GLU CG . 6565 1 1420 . 1 1 158 158 GLU N N 15 115.7 0.050 . 1 . . . . 174 GLU N . 6565 1 1421 . 1 1 159 159 ASP H H 1 7.86 0.005 . 1 . . . . 175 ASP H . 6565 1 1422 . 1 1 159 159 ASP HA H 1 4.72 0.005 . 1 . . . . 175 ASP HA . 6565 1 1423 . 1 1 159 159 ASP HB2 H 1 2.82 0.001 . 2 . . . . 175 ASP HB2 . 6565 1 1424 . 1 1 159 159 ASP HB3 H 1 2.48 0.006 . 2 . . . . 175 ASP HB3 . 6565 1 1425 . 1 1 159 159 ASP C C 13 176.0 0.052 . 1 . . . . 175 ASP C . 6565 1 1426 . 1 1 159 159 ASP CA C 13 54.1 0.069 . 1 . . . . 175 ASP CA . 6565 1 1427 . 1 1 159 159 ASP CB C 13 41.1 0.054 . 1 . . . . 175 ASP CB . 6565 1 1428 . 1 1 159 159 ASP N N 15 116.7 0.043 . 1 . . . . 175 ASP N . 6565 1 1429 . 1 1 160 160 HIS H H 1 8.45 0.005 . 1 . . . . 176 HIS H . 6565 1 1430 . 1 1 160 160 HIS HA H 1 4.48 0.018 . 1 . . . . 176 HIS HA . 6565 1 1431 . 1 1 160 160 HIS HB2 H 1 3.81 0.005 . 2 . . . . 176 HIS HB2 . 6565 1 1432 . 1 1 160 160 HIS HB3 H 1 3.60 0.019 . 2 . . . . 176 HIS HB3 . 6565 1 1433 . 1 1 160 160 HIS HD2 H 1 7.12 0.010 . 1 . . . . 176 HIS HD2 . 6565 1 1434 . 1 1 160 160 HIS HE1 H 1 7.88 0.001 . 1 . . . . 176 HIS HE1 . 6565 1 1435 . 1 1 160 160 HIS HE2 H 1 11.14 0.006 . 1 . . . . 176 HIS HE2 . 6565 1 1436 . 1 1 160 160 HIS CA C 13 55.8 0.135 . 1 . . . . 176 HIS CA . 6565 1 1437 . 1 1 160 160 HIS CB C 13 32.4 0.120 . 1 . . . . 176 HIS CB . 6565 1 1438 . 1 1 160 160 HIS CD2 C 13 119.9 0.064 . 1 . . . . 176 HIS CD2 . 6565 1 1439 . 1 1 160 160 HIS CE1 C 13 138.6 0.004 . 1 . . . . 176 HIS CE1 . 6565 1 1440 . 1 1 160 160 HIS N N 15 126.7 0.034 . 1 . . . . 176 HIS N . 6565 1 1441 . 1 1 160 160 HIS NE2 N 15 164.0 0.056 . 1 . . . . 176 HIS NE2 . 6565 1 1442 . 1 1 161 161 PRO HA H 1 4.56 0.012 . 1 . . . . 177 PRO HA . 6565 1 1443 . 1 1 161 161 PRO HB2 H 1 2.54 0.012 . 2 . . . . 177 PRO HB2 . 6565 1 1444 . 1 1 161 161 PRO HB3 H 1 2.11 0.008 . 2 . . . . 177 PRO HB3 . 6565 1 1445 . 1 1 161 161 PRO HG2 H 1 2.07 0.006 . 2 . . . . 177 PRO HG2 . 6565 1 1446 . 1 1 161 161 PRO HG3 H 1 1.91 0.012 . 2 . . . . 177 PRO HG3 . 6565 1 1447 . 1 1 161 161 PRO HD2 H 1 3.63 0.029 . 2 . . . . 177 PRO HD2 . 6565 1 1448 . 1 1 161 161 PRO HD3 H 1 2.61 0.015 . 2 . . . . 177 PRO HD3 . 6565 1 1449 . 1 1 161 161 PRO C C 13 177.7 0.052 . 1 . . . . 177 PRO C . 6565 1 1450 . 1 1 161 161 PRO CA C 13 64.4 0.114 . 1 . . . . 177 PRO CA . 6565 1 1451 . 1 1 161 161 PRO CB C 13 32.6 0.119 . 1 . . . . 177 PRO CB . 6565 1 1452 . 1 1 161 161 PRO CG C 13 27.2 0.100 . 1 . . . . 177 PRO CG . 6565 1 1453 . 1 1 161 161 PRO CD C 13 50.3 0.093 . 1 . . . . 177 PRO CD . 6565 1 1454 . 1 1 162 162 CYS H H 1 11.81 0.005 . 1 . . . . 178 CYS H . 6565 1 1455 . 1 1 162 162 CYS HA H 1 4.92 0.020 . 1 . . . . 178 CYS HA . 6565 1 1456 . 1 1 162 162 CYS HB2 H 1 3.93 0.014 . 2 . . . . 178 CYS HB2 . 6565 1 1457 . 1 1 162 162 CYS HB3 H 1 2.95 0.013 . 2 . . . . 178 CYS HB3 . 6565 1 1458 . 1 1 162 162 CYS C C 13 174.0 0.052 . 1 . . . . 178 CYS C . 6565 1 1459 . 1 1 162 162 CYS CA C 13 52.3 0.126 . 1 . . . . 178 CYS CA . 6565 1 1460 . 1 1 162 162 CYS CB C 13 46.6 0.152 . 1 . . . . 178 CYS CB . 6565 1 1461 . 1 1 162 162 CYS N N 15 118.8 0.055 . 1 . . . . 178 CYS N . 6565 1 1462 . 1 1 163 163 TYR H H 1 8.02 0.004 . 1 . . . . 179 TYR H . 6565 1 1463 . 1 1 163 163 TYR HA H 1 4.44 0.009 . 1 . . . . 179 TYR HA . 6565 1 1464 . 1 1 163 163 TYR HB2 H 1 2.88 0.014 . 1 . . . . 179 TYR HB2 . 6565 1 1465 . 1 1 163 163 TYR HB3 H 1 2.88 0.014 . 1 . . . . 179 TYR HB3 . 6565 1 1466 . 1 1 163 163 TYR HD1 H 1 6.87 0.012 . 1 . . . . 179 TYR HD1 . 6565 1 1467 . 1 1 163 163 TYR HD2 H 1 6.87 0.012 . 1 . . . . 179 TYR HD2 . 6565 1 1468 . 1 1 163 163 TYR HE1 H 1 6.66 0.028 . 1 . . . . 179 TYR HE1 . 6565 1 1469 . 1 1 163 163 TYR HE2 H 1 6.66 0.028 . 1 . . . . 179 TYR HE2 . 6565 1 1470 . 1 1 163 163 TYR C C 13 175.5 0.052 . 1 . . . . 179 TYR C . 6565 1 1471 . 1 1 163 163 TYR CA C 13 60.2 0.108 . 1 . . . . 179 TYR CA . 6565 1 1472 . 1 1 163 163 TYR CB C 13 38.3 0.076 . 1 . . . . 179 TYR CB . 6565 1 1473 . 1 1 163 163 TYR CD1 C 13 133.2 0.134 . 1 . . . . 179 TYR CD1 . 6565 1 1474 . 1 1 163 163 TYR CD2 C 13 133.2 0.134 . 1 . . . . 179 TYR CD2 . 6565 1 1475 . 1 1 163 163 TYR CE1 C 13 117.0 0.078 . 1 . . . . 179 TYR CE1 . 6565 1 1476 . 1 1 163 163 TYR CE2 C 13 117.0 0.078 . 1 . . . . 179 TYR CE2 . 6565 1 1477 . 1 1 163 163 TYR N N 15 122.7 0.024 . 1 . . . . 179 TYR N . 6565 1 1478 . 1 1 164 164 HIS H H 1 7.79 0.005 . 1 . . . . 180 HIS H . 6565 1 1479 . 1 1 164 164 HIS HA H 1 4.59 0.006 . 1 . . . . 180 HIS HA . 6565 1 1480 . 1 1 164 164 HIS HB2 H 1 3.28 0.016 . 1 . . . . 180 HIS HB2 . 6565 1 1481 . 1 1 164 164 HIS HB3 H 1 3.28 0.016 . 1 . . . . 180 HIS HB3 . 6565 1 1482 . 1 1 164 164 HIS C C 13 170.7 0.052 . 1 . . . . 180 HIS C . 6565 1 1483 . 1 1 164 164 HIS CA C 13 55.0 0.094 . 1 . . . . 180 HIS CA . 6565 1 1484 . 1 1 164 164 HIS CB C 13 30.0 0.062 . 1 . . . . 180 HIS CB . 6565 1 1485 . 1 1 164 164 HIS N N 15 123.7 0.040 . 1 . . . . 180 HIS N . 6565 1 1486 . 1 1 165 165 SER H H 1 8.32 0.003 . 1 . . . . 181 SER H . 6565 1 1487 . 1 1 165 165 SER HA H 1 5.27 0.013 . 1 . . . . 181 SER HA . 6565 1 1488 . 1 1 165 165 SER HB2 H 1 3.71 0.008 . 2 . . . . 181 SER HB2 . 6565 1 1489 . 1 1 165 165 SER HB3 H 1 3.59 0.014 . 2 . . . . 181 SER HB3 . 6565 1 1490 . 1 1 165 165 SER C C 13 172.8 0.052 . 1 . . . . 181 SER C . 6565 1 1491 . 1 1 165 165 SER CA C 13 55.6 0.065 . 1 . . . . 181 SER CA . 6565 1 1492 . 1 1 165 165 SER CB C 13 65.6 0.082 . 1 . . . . 181 SER CB . 6565 1 1493 . 1 1 165 165 SER N N 15 112.7 0.044 . 1 . . . . 181 SER N . 6565 1 1494 . 1 1 166 166 TYR H H 1 8.69 0.004 . 1 . . . . 182 TYR H . 6565 1 1495 . 1 1 166 166 TYR HA H 1 4.76 0.011 . 1 . . . . 182 TYR HA . 6565 1 1496 . 1 1 166 166 TYR HB2 H 1 2.69 0.013 . 2 . . . . 182 TYR HB2 . 6565 1 1497 . 1 1 166 166 TYR HB3 H 1 2.62 0.016 . 2 . . . . 182 TYR HB3 . 6565 1 1498 . 1 1 166 166 TYR HD1 H 1 6.39 0.015 . 1 . . . . 182 TYR HD1 . 6565 1 1499 . 1 1 166 166 TYR HD2 H 1 6.39 0.015 . 1 . . . . 182 TYR HD2 . 6565 1 1500 . 1 1 166 166 TYR HE1 H 1 6.41 0.015 . 1 . . . . 182 TYR HE1 . 6565 1 1501 . 1 1 166 166 TYR HE2 H 1 6.41 0.015 . 1 . . . . 182 TYR HE2 . 6565 1 1502 . 1 1 166 166 TYR C C 13 171.4 0.052 . 1 . . . . 182 TYR C . 6565 1 1503 . 1 1 166 166 TYR CA C 13 55.7 0.093 . 1 . . . . 182 TYR CA . 6565 1 1504 . 1 1 166 166 TYR CB C 13 38.6 0.091 . 1 . . . . 182 TYR CB . 6565 1 1505 . 1 1 166 166 TYR CD1 C 13 132.9 0.064 . 1 . . . . 182 TYR CD1 . 6565 1 1506 . 1 1 166 166 TYR CD2 C 13 132.9 0.064 . 1 . . . . 182 TYR CD2 . 6565 1 1507 . 1 1 166 166 TYR CE1 C 13 117.6 0.120 . 1 . . . . 182 TYR CE1 . 6565 1 1508 . 1 1 166 166 TYR CE2 C 13 117.6 0.120 . 1 . . . . 182 TYR CE2 . 6565 1 1509 . 1 1 166 166 TYR N N 15 119.6 0.038 . 1 . . . . 182 TYR N . 6565 1 1510 . 1 1 167 167 GLU H H 1 8.46 0.003 . 1 . . . . 183 GLU H . 6565 1 1511 . 1 1 167 167 GLU HA H 1 4.96 0.013 . 1 . . . . 183 GLU HA . 6565 1 1512 . 1 1 167 167 GLU HB2 H 1 1.84 0.014 . 1 . . . . 183 GLU HB2 . 6565 1 1513 . 1 1 167 167 GLU HB3 H 1 1.84 0.014 . 1 . . . . 183 GLU HB3 . 6565 1 1514 . 1 1 167 167 GLU HG2 H 1 2.06 0.007 . 2 . . . . 183 GLU HG2 . 6565 1 1515 . 1 1 167 167 GLU HG3 H 1 1.97 0.008 . 2 . . . . 183 GLU HG3 . 6565 1 1516 . 1 1 167 167 GLU C C 13 176.0 0.052 . 1 . . . . 183 GLU C . 6565 1 1517 . 1 1 167 167 GLU CA C 13 54.3 0.068 . 1 . . . . 183 GLU CA . 6565 1 1518 . 1 1 167 167 GLU CB C 13 31.6 0.035 . 1 . . . . 183 GLU CB . 6565 1 1519 . 1 1 167 167 GLU CG C 13 36.1 0.052 . 1 . . . . 183 GLU CG . 6565 1 1520 . 1 1 167 167 GLU N N 15 119.6 0.038 . 1 . . . . 183 GLU N . 6565 1 1521 . 1 1 168 168 GLU H H 1 8.85 0.003 . 1 . . . . 184 GLU H . 6565 1 1522 . 1 1 168 168 GLU HA H 1 4.53 0.009 . 1 . . . . 184 GLU HA . 6565 1 1523 . 1 1 168 168 GLU HB2 H 1 1.99 0.011 . 2 . . . . 184 GLU HB2 . 6565 1 1524 . 1 1 168 168 GLU HB3 H 1 1.87 0.007 . 2 . . . . 184 GLU HB3 . 6565 1 1525 . 1 1 168 168 GLU HG2 H 1 2.28 0.017 . 2 . . . . 184 GLU HG2 . 6565 1 1526 . 1 1 168 168 GLU HG3 H 1 2.13 0.007 . 2 . . . . 184 GLU HG3 . 6565 1 1527 . 1 1 168 168 GLU C C 13 174.9 0.052 . 1 . . . . 184 GLU C . 6565 1 1528 . 1 1 168 168 GLU CA C 13 55.5 0.055 . 1 . . . . 184 GLU CA . 6565 1 1529 . 1 1 168 168 GLU CB C 13 33.0 0.071 . 1 . . . . 184 GLU CB . 6565 1 1530 . 1 1 168 168 GLU CG C 13 36.3 0.083 . 1 . . . . 184 GLU CG . 6565 1 1531 . 1 1 168 168 GLU N N 15 125.3 0.040 . 1 . . . . 184 GLU N . 6565 1 1532 . 1 1 169 169 ASP H H 1 9.45 0.004 . 1 . . . . 185 ASP H . 6565 1 1533 . 1 1 169 169 ASP HA H 1 4.30 0.010 . 1 . . . . 185 ASP HA . 6565 1 1534 . 1 1 169 169 ASP HB2 H 1 2.99 0.011 . 2 . . . . 185 ASP HB2 . 6565 1 1535 . 1 1 169 169 ASP HB3 H 1 2.62 0.011 . 2 . . . . 185 ASP HB3 . 6565 1 1536 . 1 1 169 169 ASP C C 13 175.4 0.052 . 1 . . . . 185 ASP C . 6565 1 1537 . 1 1 169 169 ASP CA C 13 55.1 0.049 . 1 . . . . 185 ASP CA . 6565 1 1538 . 1 1 169 169 ASP CB C 13 39.6 0.038 . 1 . . . . 185 ASP CB . 6565 1 1539 . 1 1 169 169 ASP N N 15 127.2 0.028 . 1 . . . . 185 ASP N . 6565 1 1540 . 1 1 170 170 GLY H H 1 8.72 0.004 . 1 . . . . 186 GLY H . 6565 1 1541 . 1 1 170 170 GLY HA2 H 1 4.12 0.008 . 2 . . . . 186 GLY HA2 . 6565 1 1542 . 1 1 170 170 GLY HA3 H 1 3.63 0.007 . 2 . . . . 186 GLY HA3 . 6565 1 1543 . 1 1 170 170 GLY C C 13 173.6 0.052 . 1 . . . . 186 GLY C . 6565 1 1544 . 1 1 170 170 GLY CA C 13 45.0 0.101 . 1 . . . . 186 GLY CA . 6565 1 1545 . 1 1 170 170 GLY N N 15 103.3 0.031 . 1 . . . . 186 GLY N . 6565 1 1546 . 1 1 171 171 VAL H H 1 7.76 0.003 . 1 . . . . 187 VAL H . 6565 1 1547 . 1 1 171 171 VAL HA H 1 4.36 0.012 . 1 . . . . 187 VAL HA . 6565 1 1548 . 1 1 171 171 VAL HB H 1 2.12 0.010 . 1 . . . . 187 VAL HB . 6565 1 1549 . 1 1 171 171 VAL HG11 H 1 0.90 0.005 . 2 . . . . 187 VAL HG1 . 6565 1 1550 . 1 1 171 171 VAL HG12 H 1 0.90 0.005 . 2 . . . . 187 VAL HG1 . 6565 1 1551 . 1 1 171 171 VAL HG13 H 1 0.90 0.005 . 2 . . . . 187 VAL HG1 . 6565 1 1552 . 1 1 171 171 VAL HG21 H 1 0.90 0.002 . 2 . . . . 187 VAL HG2 . 6565 1 1553 . 1 1 171 171 VAL HG22 H 1 0.90 0.002 . 2 . . . . 187 VAL HG2 . 6565 1 1554 . 1 1 171 171 VAL HG23 H 1 0.90 0.002 . 2 . . . . 187 VAL HG2 . 6565 1 1555 . 1 1 171 171 VAL C C 13 174.4 0.052 . 1 . . . . 187 VAL C . 6565 1 1556 . 1 1 171 171 VAL CA C 13 60.3 0.059 . 1 . . . . 187 VAL CA . 6565 1 1557 . 1 1 171 171 VAL CB C 13 34.3 0.052 . 1 . . . . 187 VAL CB . 6565 1 1558 . 1 1 171 171 VAL CG1 C 13 20.1 0.150 . 1 . . . . 187 VAL CG1 . 6565 1 1559 . 1 1 171 171 VAL CG2 C 13 20.1 0.038 . 1 . . . . 187 VAL CG2 . 6565 1 1560 . 1 1 171 171 VAL N N 15 120.2 0.027 . 1 . . . . 187 VAL N . 6565 1 1561 . 1 1 172 172 THR H H 1 8.40 0.003 . 1 . . . . 188 THR H . 6565 1 1562 . 1 1 172 172 THR HA H 1 4.46 0.013 . 1 . . . . 188 THR HA . 6565 1 1563 . 1 1 172 172 THR HB H 1 3.87 0.006 . 1 . . . . 188 THR HB . 6565 1 1564 . 1 1 172 172 THR HG21 H 1 1.10 0.012 . 1 . . . . 188 THR HG2 . 6565 1 1565 . 1 1 172 172 THR HG22 H 1 1.10 0.012 . 1 . . . . 188 THR HG2 . 6565 1 1566 . 1 1 172 172 THR HG23 H 1 1.10 0.012 . 1 . . . . 188 THR HG2 . 6565 1 1567 . 1 1 172 172 THR C C 13 173.5 0.052 . 1 . . . . 188 THR C . 6565 1 1568 . 1 1 172 172 THR CA C 13 62.9 0.099 . 1 . . . . 188 THR CA . 6565 1 1569 . 1 1 172 172 THR CB C 13 68.4 0.046 . 1 . . . . 188 THR CB . 6565 1 1570 . 1 1 172 172 THR CG2 C 13 21.5 0.053 . 1 . . . . 188 THR CG2 . 6565 1 1571 . 1 1 172 172 THR N N 15 121.5 0.022 . 1 . . . . 188 THR N . 6565 1 1572 . 1 1 173 173 LYS H H 1 8.91 0.004 . 1 . . . . 189 LYS H . 6565 1 1573 . 1 1 173 173 LYS HA H 1 4.41 0.009 . 1 . . . . 189 LYS HA . 6565 1 1574 . 1 1 173 173 LYS HB2 H 1 1.52 0.010 . 2 . . . . 189 LYS HB2 . 6565 1 1575 . 1 1 173 173 LYS HB3 H 1 0.40 0.018 . 2 . . . . 189 LYS HB3 . 6565 1 1576 . 1 1 173 173 LYS HG2 H 1 1.12 0.009 . 1 . . . . 189 LYS HG2 . 6565 1 1577 . 1 1 173 173 LYS HG3 H 1 1.12 0.009 . 1 . . . . 189 LYS HG3 . 6565 1 1578 . 1 1 173 173 LYS HD2 H 1 1.57 0.028 . 1 . . . . 189 LYS HD2 . 6565 1 1579 . 1 1 173 173 LYS HD3 H 1 1.57 0.028 . 1 . . . . 189 LYS HD3 . 6565 1 1580 . 1 1 173 173 LYS HE2 H 1 2.90 0.010 . 1 . . . . 189 LYS HE2 . 6565 1 1581 . 1 1 173 173 LYS HE3 H 1 2.90 0.010 . 1 . . . . 189 LYS HE3 . 6565 1 1582 . 1 1 173 173 LYS C C 13 173.1 0.052 . 1 . . . . 189 LYS C . 6565 1 1583 . 1 1 173 173 LYS CA C 13 54.1 0.055 . 1 . . . . 189 LYS CA . 6565 1 1584 . 1 1 173 173 LYS CB C 13 35.4 0.061 . 1 . . . . 189 LYS CB . 6565 1 1585 . 1 1 173 173 LYS CG C 13 25.4 0.084 . 1 . . . . 189 LYS CG . 6565 1 1586 . 1 1 173 173 LYS CD C 13 29.1 0.058 . 1 . . . . 189 LYS CD . 6565 1 1587 . 1 1 173 173 LYS CE C 13 41.7 0.130 . 1 . . . . 189 LYS CE . 6565 1 1588 . 1 1 173 173 LYS N N 15 130.0 0.050 . 1 . . . . 189 LYS N . 6565 1 1589 . 1 1 174 174 SER H H 1 7.80 0.004 . 1 . . . . 190 SER H . 6565 1 1590 . 1 1 174 174 SER HA H 1 5.09 0.013 . 1 . . . . 190 SER HA . 6565 1 1591 . 1 1 174 174 SER HB2 H 1 3.57 0.010 . 2 . . . . 190 SER HB2 . 6565 1 1592 . 1 1 174 174 SER HB3 H 1 3.33 0.015 . 2 . . . . 190 SER HB3 . 6565 1 1593 . 1 1 174 174 SER C C 13 173.5 0.052 . 1 . . . . 190 SER C . 6565 1 1594 . 1 1 174 174 SER CA C 13 56.9 0.085 . 1 . . . . 190 SER CA . 6565 1 1595 . 1 1 174 174 SER CB C 13 65.7 0.089 . 1 . . . . 190 SER CB . 6565 1 1596 . 1 1 174 174 SER N N 15 109.2 0.022 . 1 . . . . 190 SER N . 6565 1 1597 . 1 1 175 175 ASP H H 1 8.09 0.005 . 1 . . . . 191 ASP H . 6565 1 1598 . 1 1 175 175 ASP HA H 1 4.65 0.021 . 1 . . . . 191 ASP HA . 6565 1 1599 . 1 1 175 175 ASP HB2 H 1 3.12 0.013 . 2 . . . . 191 ASP HB2 . 6565 1 1600 . 1 1 175 175 ASP HB3 H 1 2.93 0.018 . 2 . . . . 191 ASP HB3 . 6565 1 1601 . 1 1 175 175 ASP C C 13 171.0 0.052 . 1 . . . . 191 ASP C . 6565 1 1602 . 1 1 175 175 ASP CA C 13 54.3 0.085 . 1 . . . . 191 ASP CA . 6565 1 1603 . 1 1 175 175 ASP CB C 13 40.8 0.061 . 1 . . . . 191 ASP CB . 6565 1 1604 . 1 1 175 175 ASP N N 15 114.4 0.030 . 1 . . . . 191 ASP N . 6565 1 1605 . 1 1 176 176 CYS H H 1 8.54 0.004 . 1 . . . . 192 CYS H . 6565 1 1606 . 1 1 176 176 CYS HA H 1 4.44 0.006 . 1 . . . . 192 CYS HA . 6565 1 1607 . 1 1 176 176 CYS HB2 H 1 2.12 0.013 . 2 . . . . 192 CYS HB2 . 6565 1 1608 . 1 1 176 176 CYS HB3 H 1 1.91 0.017 . 2 . . . . 192 CYS HB3 . 6565 1 1609 . 1 1 176 176 CYS C C 13 173.5 0.052 . 1 . . . . 192 CYS C . 6565 1 1610 . 1 1 176 176 CYS CA C 13 54.9 0.170 . 1 . . . . 192 CYS CA . 6565 1 1611 . 1 1 176 176 CYS CB C 13 40.2 0.131 . 1 . . . . 192 CYS CB . 6565 1 1612 . 1 1 176 176 CYS N N 15 114.1 0.031 . 1 . . . . 192 CYS N . 6565 1 1613 . 1 1 177 177 ASP H H 1 9.55 0.003 . 1 . . . . 193 ASP H . 6565 1 1614 . 1 1 177 177 ASP HA H 1 4.09 0.012 . 1 . . . . 193 ASP HA . 6565 1 1615 . 1 1 177 177 ASP HB2 H 1 2.27 0.014 . 2 . . . . 193 ASP HB2 . 6565 1 1616 . 1 1 177 177 ASP HB3 H 1 1.86 0.005 . 2 . . . . 193 ASP HB3 . 6565 1 1617 . 1 1 177 177 ASP C C 13 177.4 0.052 . 1 . . . . 193 ASP C . 6565 1 1618 . 1 1 177 177 ASP CA C 13 55.4 0.107 . 1 . . . . 193 ASP CA . 6565 1 1619 . 1 1 177 177 ASP CB C 13 41.5 0.098 . 1 . . . . 193 ASP CB . 6565 1 1620 . 1 1 177 177 ASP N N 15 124.7 0.023 . 1 . . . . 193 ASP N . 6565 1 1621 . 1 1 178 178 CYS H H 1 8.66 0.006 . 1 . . . . 194 CYS H . 6565 1 1622 . 1 1 178 178 CYS HA H 1 4.74 0.014 . 1 . . . . 194 CYS HA . 6565 1 1623 . 1 1 178 178 CYS HB2 H 1 3.76 0.026 . 2 . . . . 194 CYS HB2 . 6565 1 1624 . 1 1 178 178 CYS HB3 H 1 3.39 0.015 . 2 . . . . 194 CYS HB3 . 6565 1 1625 . 1 1 178 178 CYS C C 13 174.6 0.052 . 1 . . . . 194 CYS C . 6565 1 1626 . 1 1 178 178 CYS CA C 13 55.0 0.075 . 1 . . . . 194 CYS CA . 6565 1 1627 . 1 1 178 178 CYS CB C 13 41.7 0.100 . 1 . . . . 194 CYS CB . 6565 1 1628 . 1 1 178 178 CYS N N 15 123.4 0.045 . 1 . . . . 194 CYS N . 6565 1 1629 . 1 1 179 179 GLU H H 1 9.25 0.005 . 1 . . . . 195 GLU H . 6565 1 1630 . 1 1 179 179 GLU HA H 1 4.51 0.016 . 1 . . . . 195 GLU HA . 6565 1 1631 . 1 1 179 179 GLU HB2 H 1 2.09 0.011 . 1 . . . . 195 GLU HB2 . 6565 1 1632 . 1 1 179 179 GLU HB3 H 1 2.09 0.011 . 1 . . . . 195 GLU HB3 . 6565 1 1633 . 1 1 179 179 GLU HG2 H 1 2.34 0.012 . 1 . . . . 195 GLU HG2 . 6565 1 1634 . 1 1 179 179 GLU HG3 H 1 2.34 0.012 . 1 . . . . 195 GLU HG3 . 6565 1 1635 . 1 1 179 179 GLU C C 13 173.9 0.052 . 1 . . . . 195 GLU C . 6565 1 1636 . 1 1 179 179 GLU CA C 13 55.3 0.107 . 1 . . . . 195 GLU CA . 6565 1 1637 . 1 1 179 179 GLU CB C 13 27.3 0.065 . 1 . . . . 195 GLU CB . 6565 1 1638 . 1 1 179 179 GLU CG C 13 38.2 0.051 . 1 . . . . 195 GLU CG . 6565 1 1639 . 1 1 179 179 GLU N N 15 117.7 0.058 . 1 . . . . 195 GLU N . 6565 1 1640 . 1 1 180 180 HIS H H 1 6.96 0.003 . 1 . . . . 196 HIS H . 6565 1 1641 . 1 1 180 180 HIS HA H 1 4.60 0.016 . 1 . . . . 196 HIS HA . 6565 1 1642 . 1 1 180 180 HIS HB2 H 1 3.03 0.014 . 2 . . . . 196 HIS HB2 . 6565 1 1643 . 1 1 180 180 HIS HB3 H 1 2.43 0.015 . 2 . . . . 196 HIS HB3 . 6565 1 1644 . 1 1 180 180 HIS HD1 H 1 11.92 0.005 . 1 . . . . 196 HIS HD1 . 6565 1 1645 . 1 1 180 180 HIS HE1 H 1 8.17 0.005 . 1 . . . . 196 HIS HE1 . 6565 1 1646 . 1 1 180 180 HIS C C 13 172.2 0.052 . 1 . . . . 196 HIS C . 6565 1 1647 . 1 1 180 180 HIS CA C 13 52.8 0.101 . 1 . . . . 196 HIS CA . 6565 1 1648 . 1 1 180 180 HIS CB C 13 30.1 0.096 . 1 . . . . 196 HIS CB . 6565 1 1649 . 1 1 180 180 HIS CE1 C 13 143.9 0.088 . 1 . . . . 196 HIS CE1 . 6565 1 1650 . 1 1 180 180 HIS N N 15 108.0 0.034 . 1 . . . . 196 HIS N . 6565 1 1651 . 1 1 180 180 HIS ND1 N 15 174.5 0.069 . 1 . . . . 196 HIS ND1 . 6565 1 1652 . 1 1 181 181 SER H H 1 9.01 0.005 . 1 . . . . 197 SER H . 6565 1 1653 . 1 1 181 181 SER HA H 1 4.17 0.017 . 1 . . . . 197 SER HA . 6565 1 1654 . 1 1 181 181 SER HB2 H 1 4.30 0.016 . 2 . . . . 197 SER HB2 . 6565 1 1655 . 1 1 181 181 SER HB3 H 1 4.05 0.016 . 2 . . . . 197 SER HB3 . 6565 1 1656 . 1 1 181 181 SER CA C 13 54.0 0.100 . 1 . . . . 197 SER CA . 6565 1 1657 . 1 1 181 181 SER CB C 13 63.3 0.111 . 1 . . . . 197 SER CB . 6565 1 1658 . 1 1 181 181 SER N N 15 114.1 0.036 . 1 . . . . 197 SER N . 6565 1 1659 . 1 1 182 182 PRO HD2 H 1 3.40 0.011 . 2 . . . . 198 PRO HD2 . 6565 1 1660 . 1 1 182 182 PRO HD3 H 1 3.76 0.005 . 2 . . . . 198 PRO HD3 . 6565 1 1661 . 1 1 182 182 PRO C C 13 175.6 0.052 . 1 . . . . 198 PRO C . 6565 1 1662 . 1 1 182 182 PRO CA C 13 63.1 0.130 . 1 . . . . 198 PRO CA . 6565 1 1663 . 1 1 182 182 PRO CB C 13 31.8 0.039 . 1 . . . . 198 PRO CB . 6565 1 1664 . 1 1 182 182 PRO CD C 13 50.9 0.164 . 1 . . . . 198 PRO CD . 6565 1 1665 . 1 1 183 183 GLY H H 1 7.40 0.004 . 1 . . . . 199 GLY H . 6565 1 1666 . 1 1 183 183 GLY HA2 H 1 3.86 0.009 . 1 . . . . 199 GLY HA2 . 6565 1 1667 . 1 1 183 183 GLY HA3 H 1 3.86 0.009 . 1 . . . . 199 GLY HA3 . 6565 1 1668 . 1 1 183 183 GLY CA C 13 43.0 0.112 . 1 . . . . 199 GLY CA . 6565 1 1669 . 1 1 183 183 GLY N N 15 106.3 0.036 . 1 . . . . 199 GLY N . 6565 1 1670 . 1 1 184 184 PRO HA H 1 4.34 0.010 . 1 . . . . 200 PRO HA . 6565 1 1671 . 1 1 184 184 PRO HB2 H 1 2.34 0.011 . 2 . . . . 200 PRO HB2 . 6565 1 1672 . 1 1 184 184 PRO HB3 H 1 2.04 0.009 . 2 . . . . 200 PRO HB3 . 6565 1 1673 . 1 1 184 184 PRO HG2 H 1 2.15 0.031 . 1 . . . . 200 PRO HG2 . 6565 1 1674 . 1 1 184 184 PRO HG3 H 1 2.15 0.031 . 1 . . . . 200 PRO HG3 . 6565 1 1675 . 1 1 184 184 PRO HD2 H 1 3.87 0.011 . 1 . . . . 200 PRO HD2 . 6565 1 1676 . 1 1 184 184 PRO HD3 H 1 3.87 0.011 . 1 . . . . 200 PRO HD3 . 6565 1 1677 . 1 1 184 184 PRO C C 13 176.5 0.052 . 1 . . . . 200 PRO C . 6565 1 1678 . 1 1 184 184 PRO CA C 13 62.8 0.038 . 1 . . . . 200 PRO CA . 6565 1 1679 . 1 1 184 184 PRO CB C 13 32.2 0.098 . 1 . . . . 200 PRO CB . 6565 1 1680 . 1 1 184 184 PRO CG C 13 26.7 0.035 . 1 . . . . 200 PRO CG . 6565 1 1681 . 1 1 184 184 PRO CD C 13 49.2 0.230 . 1 . . . . 200 PRO CD . 6565 1 1682 . 1 1 185 185 SER H H 1 8.77 0.004 . 1 . . . . 201 SER H . 6565 1 1683 . 1 1 185 185 SER HA H 1 4.55 0.007 . 1 . . . . 201 SER HA . 6565 1 1684 . 1 1 185 185 SER HB2 H 1 3.94 0.008 . 2 . . . . 201 SER HB2 . 6565 1 1685 . 1 1 185 185 SER HB3 H 1 3.90 0.003 . 2 . . . . 201 SER HB3 . 6565 1 1686 . 1 1 185 185 SER C C 13 173.1 0.052 . 1 . . . . 201 SER C . 6565 1 1687 . 1 1 185 185 SER CA C 13 58.0 0.056 . 1 . . . . 201 SER CA . 6565 1 1688 . 1 1 185 185 SER CB C 13 63.8 0.052 . 1 . . . . 201 SER CB . 6565 1 1689 . 1 1 185 185 SER N N 15 117.3 0.024 . 1 . . . . 201 SER N . 6565 1 1690 . 1 1 186 186 GLU H H 1 8.08 0.003 . 1 . . . . 202 GLU H . 6565 1 1691 . 1 1 186 186 GLU HA H 1 4.17 0.006 . 1 . . . . 202 GLU HA . 6565 1 1692 . 1 1 186 186 GLU HB2 H 1 2.09 0.006 . 2 . . . . 202 GLU HB2 . 6565 1 1693 . 1 1 186 186 GLU HB3 H 1 1.93 0.007 . 2 . . . . 202 GLU HB3 . 6565 1 1694 . 1 1 186 186 GLU HG2 H 1 2.22 0.012 . 1 . . . . 202 GLU HG2 . 6565 1 1695 . 1 1 186 186 GLU HG3 H 1 2.22 0.012 . 1 . . . . 202 GLU HG3 . 6565 1 1696 . 1 1 186 186 GLU CA C 13 57.6 0.078 . 1 . . . . 202 GLU CA . 6565 1 1697 . 1 1 186 186 GLU CB C 13 30.7 0.032 . 1 . . . . 202 GLU CB . 6565 1 1698 . 1 1 186 186 GLU CG C 13 36.1 0.041 . 1 . . . . 202 GLU CG . 6565 1 1699 . 1 1 186 186 GLU N N 15 127.1 0.017 . 1 . . . . 202 GLU N . 6565 1 stop_ save_