data_11434 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11434 _Entry.Title ; NMR Chemical Shift Assignments for Ostrich egg white Lysozyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-14 _Entry.Accession_date 2011-03-14 _Entry.Last_release_date 2012-02-08 _Entry.Original_release_date 2012-02-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Tamo Fukamizo . . . 11434 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11434 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 11434 '15N chemical shifts' 173 11434 '1H chemical shifts' 173 11434 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 . . 2012-02-08 2011-03-14 original author . 11434 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11434 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21859795 _Citation.Full_citation . _Citation.Title 'Interaction of a goose-type lysozyme with chitin oligosaccharides as determined by NMR spectroscopy' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 150 _Citation.Journal_issue 5 _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 569 _Citation.Page_last 577 _Citation.Year 2011 _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 Shoko Shinya . . . 11434 1 2 Takayuki Ohnuma . . . 11434 1 3 Shunsuke Kawamura . . . 11434 1 4 Takao Torikata . . . 11434 1 5 Shigenori Nishimura . . . 11434 1 6 Etsuko Katoh . . . 11434 1 7 Tamo Fukamizo . . . 11434 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11434 _Assembly.ID 1 _Assembly.Name 'Ostrich egg white lysozyme' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20650 _Assembly.Enzyme_commission_number 3.2.1.14 _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 'Ostrich egg white lysozyme' 1 $OEL A . no native no no . . . 11434 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OEL _Entity.Sf_category entity _Entity.Sf_framecode OEL _Entity.Entry_ID 11434 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OEL _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 ; SRTGCYGDVNRVDTTGASCK SAKPEKLNYCGVAASRKIAE RDLQSMDRYKALIKKVGQKL CVDPAVIAGIISRESHAGKA LRNGWGDNGNGFGLMQVDRR SHKPVGEWNGERHLMQGTEI LISMIKAIQKKFPRWTKEQQ LKGGISAYNAGPGNVRSYER MDIGTTHDDYANDVVARAQY YKQHGYX ; _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 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11436 . E73A-OEL . . . . . 99.47 187 99.46 99.46 4.68e-134 . . . . 11434 1 2 no PDB 3WYH . "Structure Of Disulfide Bond Deletion Mutant Of Ostrich Egg White Lysozyme" . . . . . 98.93 185 97.84 97.84 1.51e-130 . . . . 11434 1 3 no DBJ BAL03620 . "lysozyme g [Struthio camelus]" . . . . . 99.47 204 100.00 100.00 2.89e-135 . . . . 11434 1 4 no GB KFV76629 . "Lysozyme g, partial [Struthio camelus australis]" . . . . . 99.47 209 100.00 100.00 3.89e-135 . . . . 11434 1 5 no REF XP_009664638 . "PREDICTED: lysozyme g [Struthio camelus australis]" . . . . . 99.47 204 100.00 100.00 2.89e-135 . . . . 11434 1 6 no SP P00719 . "RecName: Full=Lysozyme g; AltName: Full=1,4-beta-N-acetylmuramidase; AltName: Full=Goose-type lysozyme; Flags: Precursor" . . . . . 99.47 204 100.00 100.00 2.89e-135 . . . . 11434 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 11434 1 2 . ARG . 11434 1 3 . THR . 11434 1 4 . GLY . 11434 1 5 . CYS . 11434 1 6 . TYR . 11434 1 7 . GLY . 11434 1 8 . ASP . 11434 1 9 . VAL . 11434 1 10 . ASN . 11434 1 11 . ARG . 11434 1 12 . VAL . 11434 1 13 . ASP . 11434 1 14 . THR . 11434 1 15 . THR . 11434 1 16 . GLY . 11434 1 17 . ALA . 11434 1 18 . SER . 11434 1 19 . CYS . 11434 1 20 . LYS . 11434 1 21 . SER . 11434 1 22 . ALA . 11434 1 23 . LYS . 11434 1 24 . PRO . 11434 1 25 . GLU . 11434 1 26 . LYS . 11434 1 27 . LEU . 11434 1 28 . ASN . 11434 1 29 . TYR . 11434 1 30 . CYS . 11434 1 31 . GLY . 11434 1 32 . VAL . 11434 1 33 . ALA . 11434 1 34 . ALA . 11434 1 35 . SER . 11434 1 36 . ARG . 11434 1 37 . LYS . 11434 1 38 . ILE . 11434 1 39 . ALA . 11434 1 40 . GLU . 11434 1 41 . ARG . 11434 1 42 . ASP . 11434 1 43 . LEU . 11434 1 44 . GLN . 11434 1 45 . SER . 11434 1 46 . MET . 11434 1 47 . ASP . 11434 1 48 . ARG . 11434 1 49 . TYR . 11434 1 50 . LYS . 11434 1 51 . ALA . 11434 1 52 . LEU . 11434 1 53 . ILE . 11434 1 54 . LYS . 11434 1 55 . LYS . 11434 1 56 . VAL . 11434 1 57 . GLY . 11434 1 58 . GLN . 11434 1 59 . LYS . 11434 1 60 . LEU . 11434 1 61 . CYS . 11434 1 62 . VAL . 11434 1 63 . ASP . 11434 1 64 . PRO . 11434 1 65 . ALA . 11434 1 66 . VAL . 11434 1 67 . ILE . 11434 1 68 . ALA . 11434 1 69 . GLY . 11434 1 70 . ILE . 11434 1 71 . ILE . 11434 1 72 . SER . 11434 1 73 . ARG . 11434 1 74 . GLU . 11434 1 75 . SER . 11434 1 76 . HIS . 11434 1 77 . ALA . 11434 1 78 . GLY . 11434 1 79 . LYS . 11434 1 80 . ALA . 11434 1 81 . LEU . 11434 1 82 . ARG . 11434 1 83 . ASN . 11434 1 84 . GLY . 11434 1 85 . TRP . 11434 1 86 . GLY . 11434 1 87 . ASP . 11434 1 88 . ASN . 11434 1 89 . GLY . 11434 1 90 . ASN . 11434 1 91 . GLY . 11434 1 92 . PHE . 11434 1 93 . GLY . 11434 1 94 . LEU . 11434 1 95 . MET . 11434 1 96 . GLN . 11434 1 97 . VAL . 11434 1 98 . ASP . 11434 1 99 . ARG . 11434 1 100 . ARG . 11434 1 101 . SER . 11434 1 102 . HIS . 11434 1 103 . LYS . 11434 1 104 . PRO . 11434 1 105 . VAL . 11434 1 106 . GLY . 11434 1 107 . GLU . 11434 1 108 . TRP . 11434 1 109 . ASN . 11434 1 110 . GLY . 11434 1 111 . GLU . 11434 1 112 . ARG . 11434 1 113 . HIS . 11434 1 114 . LEU . 11434 1 115 . MET . 11434 1 116 . GLN . 11434 1 117 . GLY . 11434 1 118 . THR . 11434 1 119 . GLU . 11434 1 120 . ILE . 11434 1 121 . LEU . 11434 1 122 . ILE . 11434 1 123 . SER . 11434 1 124 . MET . 11434 1 125 . ILE . 11434 1 126 . LYS . 11434 1 127 . ALA . 11434 1 128 . ILE . 11434 1 129 . GLN . 11434 1 130 . LYS . 11434 1 131 . LYS . 11434 1 132 . PHE . 11434 1 133 . PRO . 11434 1 134 . ARG . 11434 1 135 . TRP . 11434 1 136 . THR . 11434 1 137 . LYS . 11434 1 138 . GLU . 11434 1 139 . GLN . 11434 1 140 . GLN . 11434 1 141 . LEU . 11434 1 142 . LYS . 11434 1 143 . GLY . 11434 1 144 . GLY . 11434 1 145 . ILE . 11434 1 146 . SER . 11434 1 147 . ALA . 11434 1 148 . TYR . 11434 1 149 . ASN . 11434 1 150 . ALA . 11434 1 151 . GLY . 11434 1 152 . PRO . 11434 1 153 . GLY . 11434 1 154 . ASN . 11434 1 155 . VAL . 11434 1 156 . ARG . 11434 1 157 . SER . 11434 1 158 . TYR . 11434 1 159 . GLU . 11434 1 160 . ARG . 11434 1 161 . MET . 11434 1 162 . ASP . 11434 1 163 . ILE . 11434 1 164 . GLY . 11434 1 165 . THR . 11434 1 166 . THR . 11434 1 167 . HIS . 11434 1 168 . ASP . 11434 1 169 . ASP . 11434 1 170 . TYR . 11434 1 171 . ALA . 11434 1 172 . ASN . 11434 1 173 . ASP . 11434 1 174 . VAL . 11434 1 175 . VAL . 11434 1 176 . ALA . 11434 1 177 . ARG . 11434 1 178 . ALA . 11434 1 179 . GLN . 11434 1 180 . TYR . 11434 1 181 . TYR . 11434 1 182 . LYS . 11434 1 183 . GLN . 11434 1 184 . HIS . 11434 1 185 . GLY . 11434 1 186 . TYR . 11434 1 187 . 205 . 11434 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 11434 1 . ARG 2 2 11434 1 . THR 3 3 11434 1 . GLY 4 4 11434 1 . CYS 5 5 11434 1 . TYR 6 6 11434 1 . GLY 7 7 11434 1 . ASP 8 8 11434 1 . VAL 9 9 11434 1 . ASN 10 10 11434 1 . ARG 11 11 11434 1 . VAL 12 12 11434 1 . ASP 13 13 11434 1 . THR 14 14 11434 1 . THR 15 15 11434 1 . GLY 16 16 11434 1 . ALA 17 17 11434 1 . SER 18 18 11434 1 . CYS 19 19 11434 1 . LYS 20 20 11434 1 . SER 21 21 11434 1 . ALA 22 22 11434 1 . LYS 23 23 11434 1 . PRO 24 24 11434 1 . GLU 25 25 11434 1 . LYS 26 26 11434 1 . LEU 27 27 11434 1 . ASN 28 28 11434 1 . TYR 29 29 11434 1 . CYS 30 30 11434 1 . GLY 31 31 11434 1 . VAL 32 32 11434 1 . ALA 33 33 11434 1 . ALA 34 34 11434 1 . SER 35 35 11434 1 . ARG 36 36 11434 1 . LYS 37 37 11434 1 . ILE 38 38 11434 1 . ALA 39 39 11434 1 . GLU 40 40 11434 1 . ARG 41 41 11434 1 . ASP 42 42 11434 1 . LEU 43 43 11434 1 . GLN 44 44 11434 1 . SER 45 45 11434 1 . MET 46 46 11434 1 . ASP 47 47 11434 1 . ARG 48 48 11434 1 . TYR 49 49 11434 1 . LYS 50 50 11434 1 . ALA 51 51 11434 1 . LEU 52 52 11434 1 . ILE 53 53 11434 1 . LYS 54 54 11434 1 . LYS 55 55 11434 1 . VAL 56 56 11434 1 . GLY 57 57 11434 1 . GLN 58 58 11434 1 . LYS 59 59 11434 1 . LEU 60 60 11434 1 . CYS 61 61 11434 1 . VAL 62 62 11434 1 . ASP 63 63 11434 1 . PRO 64 64 11434 1 . ALA 65 65 11434 1 . VAL 66 66 11434 1 . ILE 67 67 11434 1 . ALA 68 68 11434 1 . GLY 69 69 11434 1 . ILE 70 70 11434 1 . ILE 71 71 11434 1 . SER 72 72 11434 1 . ARG 73 73 11434 1 . GLU 74 74 11434 1 . SER 75 75 11434 1 . HIS 76 76 11434 1 . ALA 77 77 11434 1 . GLY 78 78 11434 1 . LYS 79 79 11434 1 . ALA 80 80 11434 1 . LEU 81 81 11434 1 . ARG 82 82 11434 1 . ASN 83 83 11434 1 . GLY 84 84 11434 1 . TRP 85 85 11434 1 . GLY 86 86 11434 1 . ASP 87 87 11434 1 . ASN 88 88 11434 1 . GLY 89 89 11434 1 . ASN 90 90 11434 1 . GLY 91 91 11434 1 . PHE 92 92 11434 1 . GLY 93 93 11434 1 . LEU 94 94 11434 1 . MET 95 95 11434 1 . GLN 96 96 11434 1 . VAL 97 97 11434 1 . ASP 98 98 11434 1 . ARG 99 99 11434 1 . ARG 100 100 11434 1 . SER 101 101 11434 1 . HIS 102 102 11434 1 . LYS 103 103 11434 1 . PRO 104 104 11434 1 . VAL 105 105 11434 1 . GLY 106 106 11434 1 . GLU 107 107 11434 1 . TRP 108 108 11434 1 . ASN 109 109 11434 1 . GLY 110 110 11434 1 . GLU 111 111 11434 1 . ARG 112 112 11434 1 . HIS 113 113 11434 1 . LEU 114 114 11434 1 . MET 115 115 11434 1 . GLN 116 116 11434 1 . GLY 117 117 11434 1 . THR 118 118 11434 1 . GLU 119 119 11434 1 . ILE 120 120 11434 1 . LEU 121 121 11434 1 . ILE 122 122 11434 1 . SER 123 123 11434 1 . MET 124 124 11434 1 . ILE 125 125 11434 1 . LYS 126 126 11434 1 . ALA 127 127 11434 1 . ILE 128 128 11434 1 . GLN 129 129 11434 1 . LYS 130 130 11434 1 . LYS 131 131 11434 1 . PHE 132 132 11434 1 . PRO 133 133 11434 1 . ARG 134 134 11434 1 . TRP 135 135 11434 1 . THR 136 136 11434 1 . LYS 137 137 11434 1 . GLU 138 138 11434 1 . GLN 139 139 11434 1 . GLN 140 140 11434 1 . LEU 141 141 11434 1 . LYS 142 142 11434 1 . GLY 143 143 11434 1 . GLY 144 144 11434 1 . ILE 145 145 11434 1 . SER 146 146 11434 1 . ALA 147 147 11434 1 . TYR 148 148 11434 1 . ASN 149 149 11434 1 . ALA 150 150 11434 1 . GLY 151 151 11434 1 . PRO 152 152 11434 1 . GLY 153 153 11434 1 . ASN 154 154 11434 1 . VAL 155 155 11434 1 . ARG 156 156 11434 1 . SER 157 157 11434 1 . TYR 158 158 11434 1 . GLU 159 159 11434 1 . ARG 160 160 11434 1 . MET 161 161 11434 1 . ASP 162 162 11434 1 . ILE 163 163 11434 1 . GLY 164 164 11434 1 . THR 165 165 11434 1 . THR 166 166 11434 1 . HIS 167 167 11434 1 . ASP 168 168 11434 1 . ASP 169 169 11434 1 . TYR 170 170 11434 1 . ALA 171 171 11434 1 . ASN 172 172 11434 1 . ASP 173 173 11434 1 . VAL 174 174 11434 1 . VAL 175 175 11434 1 . ALA 176 176 11434 1 . ARG 177 177 11434 1 . ALA 178 178 11434 1 . GLN 179 179 11434 1 . TYR 180 180 11434 1 . TYR 181 181 11434 1 . LYS 182 182 11434 1 . GLN 183 183 11434 1 . HIS 184 184 11434 1 . GLY 185 185 11434 1 . TYR 186 186 11434 1 . 205 187 187 11434 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 11434 _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 $OEL . 8801 organism . 'Struthio Linnaeus' Ostrich . . Eukaryota Metazoa Struthio Linnaeus . . . . . . . . . . . . . . . . . . . . . 11434 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 11434 _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 $OEL . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . . . . . . . pPIC9K . . . . . . 11434 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_205 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_205 _Chem_comp.Entry_ID 11434 _Chem_comp.ID 205 _Chem_comp.Provenance . _Chem_comp.Name '2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code 205 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2005-12-12 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 205 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C14 H7 Cl2 N O3' _Chem_comp.Formula_weight 308.116 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 2F8I _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed May 25 10:40:10 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11434 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OEL '[U-99% 13C; U-99% 15N]' . . 1 $OEL . . 0.4 . . mM . . . . 11434 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 11434 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11434 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 11434 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11434 _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 5.0 . pH 11434 1 pressure 1 . atm 11434 1 temperature 300 . K 11434 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11434 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11434 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11434 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11434 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11434 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 11434 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11434 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11434 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11434 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11434 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11434 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11434 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11434 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11434 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11434 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11434 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11434 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11434 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11434 1 2 '3D CBCA(CO)NH' . . . 11434 1 3 '3D HNCACB' . . . 11434 1 4 '3D HNCO' . . . 11434 1 5 '3D HNCA' . . . 11434 1 6 '3D HN(CO)CA' . . . 11434 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 SER CA C 13 56.916 1 . 1 . . . . 1 SER CA . 11434 1 2 . 1 1 1 1 SER CB C 13 65.147 1 . 1 . . . . 1 SER CB . 11434 1 3 . 1 1 2 2 ARG H H 1 9.070 1 . 1 . . . . 2 ARG H . 11434 1 4 . 1 1 2 2 ARG N N 15 121.402 0.005 . 1 . . . . 2 ARG N . 11434 1 5 . 1 1 3 3 THR H H 1 8.174 1 . 1 . . . . 3 THR H . 11434 1 6 . 1 1 3 3 THR C C 13 172.528 0.000 . 1 . . . . 3 THR C . 11434 1 7 . 1 1 3 3 THR CA C 13 62.533 1 . 1 . . . . 3 THR CA . 11434 1 8 . 1 1 3 3 THR CB C 13 69.814 1 . 1 . . . . 3 THR CB . 11434 1 9 . 1 1 3 3 THR N N 15 113.583 0.064 . 1 . . . . 3 THR N . 11434 1 10 . 1 1 4 4 GLY H H 1 8.210 1 . 1 . . . . 4 GLY H . 11434 1 11 . 1 1 4 4 GLY C C 13 173.214 0.000 . 1 . . . . 4 GLY C . 11434 1 12 . 1 1 4 4 GLY CA C 13 45.889 1 . 1 . . . . 4 GLY CA . 11434 1 13 . 1 1 4 4 GLY N N 15 108.937 0.056 . 1 . . . . 4 GLY N . 11434 1 14 . 1 1 5 5 CYS H H 1 8.433 1 . 1 . . . . 5 CYS H . 11434 1 15 . 1 1 5 5 CYS C C 13 172.442 0.000 . 1 . . . . 5 CYS C . 11434 1 16 . 1 1 5 5 CYS CA C 13 62.768 1 . 1 . . . . 5 CYS CA . 11434 1 17 . 1 1 5 5 CYS CB C 13 34.704 1 . 1 . . . . 5 CYS CB . 11434 1 18 . 1 1 5 5 CYS N N 15 117.152 0.040 . 1 . . . . 5 CYS N . 11434 1 19 . 1 1 6 6 TYR H H 1 8.606 1 . 1 . . . . 6 TYR H . 11434 1 20 . 1 1 6 6 TYR C C 13 170.909 0.000 . 1 . . . . 6 TYR C . 11434 1 21 . 1 1 6 6 TYR CA C 13 58.135 1 . 1 . . . . 6 TYR CA . 11434 1 22 . 1 1 6 6 TYR CB C 13 40.103 1 . 1 . . . . 6 TYR CB . 11434 1 23 . 1 1 6 6 TYR N N 15 117.405 0.006 . 1 . . . . 6 TYR N . 11434 1 24 . 1 1 7 7 GLY H H 1 7.960 1 . 1 . . . . 7 GLY H . 11434 1 25 . 1 1 7 7 GLY C C 13 170.243 0.000 . 1 . . . . 7 GLY C . 11434 1 26 . 1 1 7 7 GLY CA C 13 43.301 1 . 1 . . . . 7 GLY CA . 11434 1 27 . 1 1 7 7 GLY N N 15 105.580 0.057 . 1 . . . . 7 GLY N . 11434 1 28 . 1 1 8 8 ASP H H 1 9.699 1 . 1 . . . . 8 ASP H . 11434 1 29 . 1 1 8 8 ASP C C 13 174.856 0.000 . 1 . . . . 8 ASP C . 11434 1 30 . 1 1 8 8 ASP CA C 13 52.111 1 . 1 . . . . 8 ASP CA . 11434 1 31 . 1 1 8 8 ASP CB C 13 41.765 1 . 1 . . . . 8 ASP CB . 11434 1 32 . 1 1 8 8 ASP N N 15 119.830 0.037 . 1 . . . . 8 ASP N . 11434 1 33 . 1 1 9 9 VAL H H 1 9.912 1 . 1 . . . . 9 VAL H . 11434 1 34 . 1 1 9 9 VAL C C 13 173.842 0.000 . 1 . . . . 9 VAL C . 11434 1 35 . 1 1 9 9 VAL CA C 13 64.238 1 . 1 . . . . 9 VAL CA . 11434 1 36 . 1 1 9 9 VAL CB C 13 31.732 1 . 1 . . . . 9 VAL CB . 11434 1 37 . 1 1 9 9 VAL N N 15 126.766 0.053 . 1 . . . . 9 VAL N . 11434 1 38 . 1 1 10 10 ASN H H 1 8.483 1 . 1 . . . . 10 ASN H . 11434 1 39 . 1 1 10 10 ASN C C 13 174.096 0.000 . 1 . . . . 10 ASN C . 11434 1 40 . 1 1 10 10 ASN CA C 13 54.830 1 . 1 . . . . 10 ASN CA . 11434 1 41 . 1 1 10 10 ASN CB C 13 38.144 1 . 1 . . . . 10 ASN CB . 11434 1 42 . 1 1 10 10 ASN N N 15 119.388 0.038 . 1 . . . . 10 ASN N . 11434 1 43 . 1 1 11 11 ARG H H 1 8.043 1 . 1 . . . . 11 ARG H . 11434 1 44 . 1 1 11 11 ARG C C 13 172.169 0.000 . 1 . . . . 11 ARG C . 11434 1 45 . 1 1 11 11 ARG CA C 13 54.948 1 . 1 . . . . 11 ARG CA . 11434 1 46 . 1 1 11 11 ARG CB C 13 30.879 1 . 1 . . . . 11 ARG CB . 11434 1 47 . 1 1 11 11 ARG N N 15 117.781 0.016 . 1 . . . . 11 ARG N . 11434 1 48 . 1 1 12 12 VAL H H 1 6.852 1 . 1 . . . . 12 VAL H . 11434 1 49 . 1 1 12 12 VAL C C 13 172.502 0.000 . 1 . . . . 12 VAL C . 11434 1 50 . 1 1 12 12 VAL N N 15 121.870 0.000 . 1 . . . . 12 VAL N . 11434 1 51 . 1 1 13 13 ASP H H 1 8.267 1 . 1 . . . . 13 ASP H . 11434 1 52 . 1 1 13 13 ASP C C 13 172.745 0.000 . 1 . . . . 13 ASP C . 11434 1 53 . 1 1 13 13 ASP CA C 13 53.594 1 . 1 . . . . 13 ASP CA . 11434 1 54 . 1 1 13 13 ASP CB C 13 41.498 1 . 1 . . . . 13 ASP CB . 11434 1 55 . 1 1 13 13 ASP N N 15 125.331 0.062 . 1 . . . . 13 ASP N . 11434 1 56 . 1 1 14 14 THR H H 1 8.506 1 . 1 . . . . 14 THR H . 11434 1 57 . 1 1 14 14 THR CA C 13 58.633 1 . 1 . . . . 14 THR CA . 11434 1 58 . 1 1 14 14 THR CB C 13 68.870 1 . 1 . . . . 14 THR CB . 11434 1 59 . 1 1 14 14 THR N N 15 115.969 0.056 . 1 . . . . 14 THR N . 11434 1 60 . 1 1 15 15 THR H H 1 8.225 1 . 1 . . . . 15 THR H . 11434 1 61 . 1 1 15 15 THR C C 13 173.131 0.000 . 1 . . . . 15 THR C . 11434 1 62 . 1 1 15 15 THR CA C 13 61.280 1 . 1 . . . . 15 THR CA . 11434 1 63 . 1 1 15 15 THR CB C 13 68.595 1 . 1 . . . . 15 THR CB . 11434 1 64 . 1 1 15 15 THR N N 15 116.351 0.035 . 1 . . . . 15 THR N . 11434 1 65 . 1 1 16 16 GLY H H 1 9.198 1 . 1 . . . . 16 GLY H . 11434 1 66 . 1 1 16 16 GLY C C 13 168.165 0.000 . 1 . . . . 16 GLY C . 11434 1 67 . 1 1 16 16 GLY CA C 13 44.733 1 . 1 . . . . 16 GLY CA . 11434 1 68 . 1 1 16 16 GLY N N 15 110.369 0.020 . 1 . . . . 16 GLY N . 11434 1 69 . 1 1 17 17 ALA H H 1 6.809 1 . 1 . . . . 17 ALA H . 11434 1 70 . 1 1 17 17 ALA C C 13 176.719 0.000 . 1 . . . . 17 ALA C . 11434 1 71 . 1 1 17 17 ALA CA C 13 51.912 1 . 1 . . . . 17 ALA CA . 11434 1 72 . 1 1 17 17 ALA CB C 13 18.147 1 . 1 . . . . 17 ALA CB . 11434 1 73 . 1 1 17 17 ALA N N 15 123.293 0.051 . 1 . . . . 17 ALA N . 11434 1 74 . 1 1 18 18 SER H H 1 11.282 1 . 1 . . . . 18 SER H . 11434 1 75 . 1 1 18 18 SER C C 13 175.099 0.000 . 1 . . . . 18 SER C . 11434 1 76 . 1 1 18 18 SER CA C 13 58.043 1 . 1 . . . . 18 SER CA . 11434 1 77 . 1 1 18 18 SER CB C 13 64.994 1 . 1 . . . . 18 SER CB . 11434 1 78 . 1 1 18 18 SER N N 15 121.809 0.031 . 1 . . . . 18 SER N . 11434 1 79 . 1 1 19 19 CYS H H 1 9.681 1 . 1 . . . . 19 CYS H . 11434 1 80 . 1 1 19 19 CYS C C 13 174.370 0.000 . 1 . . . . 19 CYS C . 11434 1 81 . 1 1 19 19 CYS CA C 13 56.157 1 . 1 . . . . 19 CYS CA . 11434 1 82 . 1 1 19 19 CYS CB C 13 37.072 1 . 1 . . . . 19 CYS CB . 11434 1 83 . 1 1 19 19 CYS N N 15 122.278 0.050 . 1 . . . . 19 CYS N . 11434 1 84 . 1 1 20 20 LYS H H 1 8.008 1 . 1 . . . . 20 LYS H . 11434 1 85 . 1 1 20 20 LYS C C 13 175.218 0.000 . 1 . . . . 20 LYS C . 11434 1 86 . 1 1 20 20 LYS CA C 13 59.206 1 . 1 . . . . 20 LYS CA . 11434 1 87 . 1 1 20 20 LYS CB C 13 32.426 1 . 1 . . . . 20 LYS CB . 11434 1 88 . 1 1 20 20 LYS N N 15 118.729 0.022 . 1 . . . . 20 LYS N . 11434 1 89 . 1 1 21 21 SER H H 1 6.851 1 . 1 . . . . 21 SER H . 11434 1 90 . 1 1 21 21 SER C C 13 172.116 0.000 . 1 . . . . 21 SER C . 11434 1 91 . 1 1 21 21 SER CA C 13 61.952 1 . 1 . . . . 21 SER CA . 11434 1 92 . 1 1 21 21 SER CB C 13 62.585 1 . 1 . . . . 21 SER CB . 11434 1 93 . 1 1 21 21 SER N N 15 121.815 0.032 . 1 . . . . 21 SER N . 11434 1 94 . 1 1 22 22 ALA H H 1 7.605 1 . 1 . . . . 22 ALA H . 11434 1 95 . 1 1 22 22 ALA C C 13 175.671 0.000 . 1 . . . . 22 ALA C . 11434 1 96 . 1 1 22 22 ALA CA C 13 54.794 1 . 1 . . . . 22 ALA CA . 11434 1 97 . 1 1 22 22 ALA CB C 13 20.831 1 . 1 . . . . 22 ALA CB . 11434 1 98 . 1 1 22 22 ALA N N 15 124.072 0.026 . 1 . . . . 22 ALA N . 11434 1 99 . 1 1 23 23 LYS H H 1 8.219 1 . 1 . . . . 23 LYS H . 11434 1 100 . 1 1 23 23 LYS CA C 13 61.262 1 . 1 . . . . 23 LYS CA . 11434 1 101 . 1 1 23 23 LYS CB C 13 29.586 1 . 1 . . . . 23 LYS CB . 11434 1 102 . 1 1 23 23 LYS N N 15 118.954 0.051 . 1 . . . . 23 LYS N . 11434 1 103 . 1 1 24 24 PRO CA C 13 65.569 1 . 1 . . . . 24 PRO CA . 11434 1 104 . 1 1 24 24 PRO CB C 13 31.206 1 . 1 . . . . 24 PRO CB . 11434 1 105 . 1 1 25 25 GLU H H 1 6.816 1 . 1 . . . . 25 GLU H . 11434 1 106 . 1 1 25 25 GLU C C 13 172.357 0.000 . 1 . . . . 25 GLU C . 11434 1 107 . 1 1 25 25 GLU CA C 13 54.441 1 . 1 . . . . 25 GLU CA . 11434 1 108 . 1 1 25 25 GLU CB C 13 27.347 1 . 1 . . . . 25 GLU CB . 11434 1 109 . 1 1 25 25 GLU N N 15 114.310 0.026 . 1 . . . . 25 GLU N . 11434 1 110 . 1 1 26 26 LYS H H 1 8.182 1 . 1 . . . . 26 LYS H . 11434 1 111 . 1 1 26 26 LYS C C 13 172.961 0.000 . 1 . . . . 26 LYS C . 11434 1 112 . 1 1 26 26 LYS CA C 13 56.922 1 . 1 . . . . 26 LYS CA . 11434 1 113 . 1 1 26 26 LYS CB C 13 27.987 1 . 1 . . . . 26 LYS CB . 11434 1 114 . 1 1 26 26 LYS N N 15 112.580 0.022 . 1 . . . . 26 LYS N . 11434 1 115 . 1 1 27 27 LEU H H 1 6.922 1 . 1 . . . . 27 LEU H . 11434 1 116 . 1 1 27 27 LEU C C 13 174.454 0.000 . 1 . . . . 27 LEU C . 11434 1 117 . 1 1 27 27 LEU CA C 13 53.010 1 . 1 . . . . 27 LEU CA . 11434 1 118 . 1 1 27 27 LEU CB C 13 43.986 1 . 1 . . . . 27 LEU CB . 11434 1 119 . 1 1 27 27 LEU N N 15 117.375 0.047 . 1 . . . . 27 LEU N . 11434 1 120 . 1 1 28 28 ASN H H 1 8.505 1 . 1 . . . . 28 ASN H . 11434 1 121 . 1 1 28 28 ASN C C 13 170.583 0.000 . 1 . . . . 28 ASN C . 11434 1 122 . 1 1 28 28 ASN CA C 13 52.153 1 . 1 . . . . 28 ASN CA . 11434 1 123 . 1 1 28 28 ASN CB C 13 37.979 1 . 1 . . . . 28 ASN CB . 11434 1 124 . 1 1 28 28 ASN N N 15 119.555 0.013 . 1 . . . . 28 ASN N . 11434 1 125 . 1 1 29 29 TYR H H 1 6.602 1 . 1 . . . . 29 TYR H . 11434 1 126 . 1 1 29 29 TYR C C 13 170.012 0.000 . 1 . . . . 29 TYR C . 11434 1 127 . 1 1 29 29 TYR CA C 13 54.152 1 . 1 . . . . 29 TYR CA . 11434 1 128 . 1 1 29 29 TYR CB C 13 39.145 1 . 1 . . . . 29 TYR CB . 11434 1 129 . 1 1 29 29 TYR N N 15 114.674 0.051 . 1 . . . . 29 TYR N . 11434 1 130 . 1 1 30 30 CYS H H 1 8.686 1 . 1 . . . . 30 CYS H . 11434 1 131 . 1 1 30 30 CYS C C 13 171.233 0.000 . 1 . . . . 30 CYS C . 11434 1 132 . 1 1 30 30 CYS CA C 13 52.258 1 . 1 . . . . 30 CYS CA . 11434 1 133 . 1 1 30 30 CYS CB C 13 43.704 1 . 1 . . . . 30 CYS CB . 11434 1 134 . 1 1 30 30 CYS N N 15 115.666 0.044 . 1 . . . . 30 CYS N . 11434 1 135 . 1 1 31 31 GLY H H 1 8.731 1 . 1 . . . . 31 GLY H . 11434 1 136 . 1 1 31 31 GLY C C 13 174.113 0.000 . 1 . . . . 31 GLY C . 11434 1 137 . 1 1 31 31 GLY CA C 13 46.046 1 . 1 . . . . 31 GLY CA . 11434 1 138 . 1 1 31 31 GLY N N 15 109.472 0.057 . 1 . . . . 31 GLY N . 11434 1 139 . 1 1 32 32 VAL H H 1 8.901 1 . 1 . . . . 32 VAL H . 11434 1 140 . 1 1 32 32 VAL C C 13 175.027 0.000 . 1 . . . . 32 VAL C . 11434 1 141 . 1 1 32 32 VAL CA C 13 67.620 1 . 1 . . . . 32 VAL CA . 11434 1 142 . 1 1 32 32 VAL CB C 13 31.680 1 . 1 . . . . 32 VAL CB . 11434 1 143 . 1 1 32 32 VAL N N 15 125.456 0.060 . 1 . . . . 32 VAL N . 11434 1 144 . 1 1 33 33 ALA H H 1 9.013 1 . 1 . . . . 33 ALA H . 11434 1 145 . 1 1 33 33 ALA C C 13 178.458 0.000 . 1 . . . . 33 ALA C . 11434 1 146 . 1 1 33 33 ALA CA C 13 55.397 1 . 1 . . . . 33 ALA CA . 11434 1 147 . 1 1 33 33 ALA CB C 13 18.354 1 . 1 . . . . 33 ALA CB . 11434 1 148 . 1 1 33 33 ALA N N 15 120.015 0.024 . 1 . . . . 33 ALA N . 11434 1 149 . 1 1 34 34 ALA H H 1 6.832 1 . 1 . . . . 34 ALA H . 11434 1 150 . 1 1 34 34 ALA C C 13 175.432 0.000 . 1 . . . . 34 ALA C . 11434 1 151 . 1 1 34 34 ALA CA C 13 54.805 1 . 1 . . . . 34 ALA CA . 11434 1 152 . 1 1 34 34 ALA CB C 13 18.211 1 . 1 . . . . 34 ALA CB . 11434 1 153 . 1 1 34 34 ALA N N 15 119.018 0.022 . 1 . . . . 34 ALA N . 11434 1 154 . 1 1 35 35 SER H H 1 8.207 1 . 1 . . . . 35 SER H . 11434 1 155 . 1 1 35 35 SER C C 13 173.212 0.000 . 1 . . . . 35 SER C . 11434 1 156 . 1 1 35 35 SER CA C 13 64.343 1 . 1 . . . . 35 SER CA . 11434 1 157 . 1 1 35 35 SER N N 15 115.592 0.015 . 1 . . . . 35 SER N . 11434 1 158 . 1 1 36 36 ARG H H 1 8.345 1 . 1 . . . . 36 ARG H . 11434 1 159 . 1 1 36 36 ARG CA C 13 60.110 1 . 1 . . . . 36 ARG CA . 11434 1 160 . 1 1 36 36 ARG CB C 13 30.635 1 . 1 . . . . 36 ARG CB . 11434 1 161 . 1 1 36 36 ARG N N 15 117.901 0.045 . 1 . . . . 36 ARG N . 11434 1 162 . 1 1 37 37 LYS H H 1 7.640 1 . 1 . . . . 37 LYS H . 11434 1 163 . 1 1 37 37 LYS C C 13 175.401 0.000 . 1 . . . . 37 LYS C . 11434 1 164 . 1 1 37 37 LYS CA C 13 56.854 1 . 1 . . . . 37 LYS CA . 11434 1 165 . 1 1 37 37 LYS CB C 13 30.106 1 . 1 . . . . 37 LYS CB . 11434 1 166 . 1 1 37 37 LYS N N 15 121.117 0.013 . 1 . . . . 37 LYS N . 11434 1 167 . 1 1 38 38 ILE H H 1 8.341 1 . 1 . . . . 38 ILE H . 11434 1 168 . 1 1 38 38 ILE C C 13 175.232 0.000 . 1 . . . . 38 ILE C . 11434 1 169 . 1 1 38 38 ILE CA C 13 65.609 1 . 1 . . . . 38 ILE CA . 11434 1 170 . 1 1 38 38 ILE CB C 13 38.442 1 . 1 . . . . 38 ILE CB . 11434 1 171 . 1 1 38 38 ILE N N 15 119.593 0.034 . 1 . . . . 38 ILE N . 11434 1 172 . 1 1 39 39 ALA H H 1 7.970 1 . 1 . . . . 39 ALA H . 11434 1 173 . 1 1 39 39 ALA C C 13 178.782 0.000 . 1 . . . . 39 ALA C . 11434 1 174 . 1 1 39 39 ALA CA C 13 54.228 1 . 1 . . . . 39 ALA CA . 11434 1 175 . 1 1 39 39 ALA CB C 13 18.394 1 . 1 . . . . 39 ALA CB . 11434 1 176 . 1 1 39 39 ALA N N 15 120.816 0.064 . 1 . . . . 39 ALA N . 11434 1 177 . 1 1 40 40 GLU H H 1 7.774 1 . 1 . . . . 40 GLU H . 11434 1 178 . 1 1 40 40 GLU C C 13 176.722 0.000 . 1 . . . . 40 GLU C . 11434 1 179 . 1 1 40 40 GLU CA C 13 59.134 1 . 1 . . . . 40 GLU CA . 11434 1 180 . 1 1 40 40 GLU CB C 13 29.593 1 . 1 . . . . 40 GLU CB . 11434 1 181 . 1 1 40 40 GLU N N 15 122.215 0.032 . 1 . . . . 40 GLU N . 11434 1 182 . 1 1 41 41 ARG H H 1 8.032 1 . 1 . . . . 41 ARG H . 11434 1 183 . 1 1 41 41 ARG C C 13 175.550 0.000 . 1 . . . . 41 ARG C . 11434 1 184 . 1 1 41 41 ARG CA C 13 59.073 1 . 1 . . . . 41 ARG CA . 11434 1 185 . 1 1 41 41 ARG CB C 13 30.374 1 . 1 . . . . 41 ARG CB . 11434 1 186 . 1 1 41 41 ARG N N 15 120.625 0.026 . 1 . . . . 41 ARG N . 11434 1 187 . 1 1 42 42 ASP H H 1 7.438 1 . 1 . . . . 42 ASP H . 11434 1 188 . 1 1 42 42 ASP C C 13 173.422 0.000 . 1 . . . . 42 ASP C . 11434 1 189 . 1 1 42 42 ASP CA C 13 54.544 1 . 1 . . . . 42 ASP CA . 11434 1 190 . 1 1 42 42 ASP CB C 13 41.350 1 . 1 . . . . 42 ASP CB . 11434 1 191 . 1 1 42 42 ASP N N 15 116.993 0.040 . 1 . . . . 42 ASP N . 11434 1 192 . 1 1 43 43 LEU H H 1 7.719 1 . 1 . . . . 43 LEU H . 11434 1 193 . 1 1 43 43 LEU C C 13 174.168 0.000 . 1 . . . . 43 LEU C . 11434 1 194 . 1 1 43 43 LEU CA C 13 59.767 1 . 1 . . . . 43 LEU CA . 11434 1 195 . 1 1 43 43 LEU CB C 13 43.117 1 . 1 . . . . 43 LEU CB . 11434 1 196 . 1 1 43 43 LEU N N 15 124.217 0.028 . 1 . . . . 43 LEU N . 11434 1 197 . 1 1 44 44 GLN H H 1 8.668 1 . 1 . . . . 44 GLN H . 11434 1 198 . 1 1 44 44 GLN C C 13 176.868 0.000 . 1 . . . . 44 GLN C . 11434 1 199 . 1 1 44 44 GLN CA C 13 59.872 1 . 1 . . . . 44 GLN CA . 11434 1 200 . 1 1 44 44 GLN CB C 13 28.091 1 . 1 . . . . 44 GLN CB . 11434 1 201 . 1 1 44 44 GLN N N 15 116.888 0.079 . 1 . . . . 44 GLN N . 11434 1 202 . 1 1 45 45 SER H H 1 8.186 1 . 1 . . . . 45 SER H . 11434 1 203 . 1 1 45 45 SER C C 13 173.373 0.000 . 1 . . . . 45 SER C . 11434 1 204 . 1 1 45 45 SER CA C 13 62.241 1 . 1 . . . . 45 SER CA . 11434 1 205 . 1 1 45 45 SER CB C 13 63.663 1 . 1 . . . . 45 SER CB . 11434 1 206 . 1 1 45 45 SER N N 15 115.458 0.046 . 1 . . . . 45 SER N . 11434 1 207 . 1 1 46 46 MET H H 1 8.639 1 . 1 . . . . 46 MET H . 11434 1 208 . 1 1 46 46 MET CA C 13 57.073 1 . 1 . . . . 46 MET CA . 11434 1 209 . 1 1 46 46 MET CB C 13 30.150 1 . 1 . . . . 46 MET CB . 11434 1 210 . 1 1 46 46 MET N N 15 123.608 0.070 . 1 . . . . 46 MET N . 11434 1 211 . 1 1 47 47 ASP H H 1 8.564 1 . 1 . . . . 47 ASP H . 11434 1 212 . 1 1 47 47 ASP C C 13 176.591 0.000 . 1 . . . . 47 ASP C . 11434 1 213 . 1 1 47 47 ASP CA C 13 56.620 1 . 1 . . . . 47 ASP CA . 11434 1 214 . 1 1 47 47 ASP CB C 13 40.292 1 . 1 . . . . 47 ASP CB . 11434 1 215 . 1 1 47 47 ASP N N 15 115.699 0.039 . 1 . . . . 47 ASP N . 11434 1 216 . 1 1 48 48 ARG H H 1 7.303 1 . 1 . . . . 48 ARG H . 11434 1 217 . 1 1 48 48 ARG C C 13 174.652 0.000 . 1 . . . . 48 ARG C . 11434 1 218 . 1 1 48 48 ARG CA C 13 58.528 1 . 1 . . . . 48 ARG CA . 11434 1 219 . 1 1 48 48 ARG CB C 13 29.558 1 . 1 . . . . 48 ARG CB . 11434 1 220 . 1 1 48 48 ARG N N 15 119.833 0.032 . 1 . . . . 48 ARG N . 11434 1 221 . 1 1 49 49 TYR H H 1 8.032 1 . 1 . . . . 49 TYR H . 11434 1 222 . 1 1 49 49 TYR C C 13 172.896 0.000 . 1 . . . . 49 TYR C . 11434 1 223 . 1 1 49 49 TYR CA C 13 56.275 1 . 1 . . . . 49 TYR CA . 11434 1 224 . 1 1 49 49 TYR CB C 13 38.671 1 . 1 . . . . 49 TYR CB . 11434 1 225 . 1 1 49 49 TYR N N 15 116.092 0.049 . 1 . . . . 49 TYR N . 11434 1 226 . 1 1 50 50 LYS H H 1 7.329 1 . 1 . . . . 50 LYS H . 11434 1 227 . 1 1 50 50 LYS C C 13 173.862 0.000 . 1 . . . . 50 LYS C . 11434 1 228 . 1 1 50 50 LYS CA C 13 61.370 1 . 1 . . . . 50 LYS CA . 11434 1 229 . 1 1 50 50 LYS CB C 13 32.789 1 . 1 . . . . 50 LYS CB . 11434 1 230 . 1 1 50 50 LYS N N 15 123.105 0.036 . 1 . . . . 50 LYS N . 11434 1 231 . 1 1 51 51 ALA H H 1 8.517 1 . 1 . . . . 51 ALA H . 11434 1 232 . 1 1 51 51 ALA C C 13 178.301 0.000 . 1 . . . . 51 ALA C . 11434 1 233 . 1 1 51 51 ALA CA C 13 55.473 1 . 1 . . . . 51 ALA CA . 11434 1 234 . 1 1 51 51 ALA CB C 13 17.550 1 . 1 . . . . 51 ALA CB . 11434 1 235 . 1 1 51 51 ALA N N 15 118.95 1 . 1 . . . . 51 ALA N . 11434 1 236 . 1 1 52 52 LEU H H 1 7.621 1 . 1 . . . . 52 LEU H . 11434 1 237 . 1 1 52 52 LEU CA C 13 57.674 1 . 1 . . . . 52 LEU CA . 11434 1 238 . 1 1 52 52 LEU CB C 13 42.878 1 . 1 . . . . 52 LEU CB . 11434 1 239 . 1 1 52 52 LEU N N 15 120.035 0.028 . 1 . . . . 52 LEU N . 11434 1 240 . 1 1 53 53 ILE H H 1 8.698 1 . 1 . . . . 53 ILE H . 11434 1 241 . 1 1 53 53 ILE C C 13 175.750 0.000 . 1 . . . . 53 ILE C . 11434 1 242 . 1 1 53 53 ILE CA C 13 66.657 1 . 1 . . . . 53 ILE CA . 11434 1 243 . 1 1 53 53 ILE CB C 13 38.846 1 . 1 . . . . 53 ILE CB . 11434 1 244 . 1 1 53 53 ILE N N 15 120.221 0.026 . 1 . . . . 53 ILE N . 11434 1 245 . 1 1 54 54 LYS H H 1 8.504 1 . 1 . . . . 54 LYS H . 11434 1 246 . 1 1 54 54 LYS C C 13 175.970 0.000 . 1 . . . . 54 LYS C . 11434 1 247 . 1 1 54 54 LYS CA C 13 60.364 1 . 1 . . . . 54 LYS CA . 11434 1 248 . 1 1 54 54 LYS CB C 13 32.086 1 . 1 . . . . 54 LYS CB . 11434 1 249 . 1 1 54 54 LYS N N 15 117.060 0.036 . 1 . . . . 54 LYS N . 11434 1 250 . 1 1 55 55 LYS H H 1 7.886 1 . 1 . . . . 55 LYS H . 11434 1 251 . 1 1 55 55 LYS C C 13 176.624 0.000 . 1 . . . . 55 LYS C . 11434 1 252 . 1 1 55 55 LYS CA C 13 59.945 1 . 1 . . . . 55 LYS CA . 11434 1 253 . 1 1 55 55 LYS CB C 13 33.314 1 . 1 . . . . 55 LYS CB . 11434 1 254 . 1 1 55 55 LYS N N 15 121.713 0.025 . 1 . . . . 55 LYS N . 11434 1 255 . 1 1 56 56 VAL H H 1 8.448 1 . 1 . . . . 56 VAL H . 11434 1 256 . 1 1 56 56 VAL C C 13 175.077 0.000 . 1 . . . . 56 VAL C . 11434 1 257 . 1 1 56 56 VAL CA C 13 67.016 1 . 1 . . . . 56 VAL CA . 11434 1 258 . 1 1 56 56 VAL CB C 13 31.631 1 . 1 . . . . 56 VAL CB . 11434 1 259 . 1 1 56 56 VAL N N 15 120.848 0.042 . 1 . . . . 56 VAL N . 11434 1 260 . 1 1 57 57 GLY H H 1 8.557 1 . 1 . . . . 57 GLY H . 11434 1 261 . 1 1 57 57 GLY C C 13 173.672 0.000 . 1 . . . . 57 GLY C . 11434 1 262 . 1 1 57 57 GLY CA C 13 48.780 1 . 1 . . . . 57 GLY CA . 11434 1 263 . 1 1 57 57 GLY N N 15 106.430 0.031 . 1 . . . . 57 GLY N . 11434 1 264 . 1 1 58 58 GLN H H 1 8.308 1 . 1 . . . . 58 GLN H . 11434 1 265 . 1 1 58 58 GLN C C 13 176.326 0.000 . 1 . . . . 58 GLN C . 11434 1 266 . 1 1 58 58 GLN CA C 13 59.102 1 . 1 . . . . 58 GLN CA . 11434 1 267 . 1 1 58 58 GLN CB C 13 28.127 1 . 1 . . . . 58 GLN CB . 11434 1 268 . 1 1 58 58 GLN N N 15 119.943 0.023 . 1 . . . . 58 GLN N . 11434 1 269 . 1 1 59 59 LYS H H 1 8.109 1 . 1 . . . . 59 LYS H . 11434 1 270 . 1 1 59 59 LYS C C 13 175.847 0.000 . 1 . . . . 59 LYS C . 11434 1 271 . 1 1 59 59 LYS CA C 13 58.984 1 . 1 . . . . 59 LYS CA . 11434 1 272 . 1 1 59 59 LYS CB C 13 32.389 1 . 1 . . . . 59 LYS CB . 11434 1 273 . 1 1 59 59 LYS N N 15 120.243 0.042 . 1 . . . . 59 LYS N . 11434 1 274 . 1 1 60 60 LEU H H 1 7.847 1 . 1 . . . . 60 LEU H . 11434 1 275 . 1 1 60 60 LEU C C 13 172.853 0.000 . 1 . . . . 60 LEU C . 11434 1 276 . 1 1 60 60 LEU CA C 13 54.193 1 . 1 . . . . 60 LEU CA . 11434 1 277 . 1 1 60 60 LEU CB C 13 41.876 1 . 1 . . . . 60 LEU CB . 11434 1 278 . 1 1 60 60 LEU N N 15 115.216 0.054 . 1 . . . . 60 LEU N . 11434 1 279 . 1 1 61 61 CYS H H 1 8.046 1 . 1 . . . . 61 CYS H . 11434 1 280 . 1 1 61 61 CYS C C 13 170.761 0.000 . 1 . . . . 61 CYS C . 11434 1 281 . 1 1 61 61 CYS CA C 13 54.544 1 . 1 . . . . 61 CYS CA . 11434 1 282 . 1 1 61 61 CYS CB C 13 42.305 1 . 1 . . . . 61 CYS CB . 11434 1 283 . 1 1 61 61 CYS N N 15 123.164 0.046 . 1 . . . . 61 CYS N . 11434 1 284 . 1 1 62 62 VAL H H 1 8.911 1 . 1 . . . . 62 VAL H . 11434 1 285 . 1 1 62 62 VAL C C 13 171.829 0.000 . 1 . . . . 62 VAL C . 11434 1 286 . 1 1 62 62 VAL CA C 13 60.666 1 . 1 . . . . 62 VAL CA . 11434 1 287 . 1 1 62 62 VAL CB C 13 36.408 1 . 1 . . . . 62 VAL CB . 11434 1 288 . 1 1 62 62 VAL N N 15 119.009 0.048 . 1 . . . . 62 VAL N . 11434 1 289 . 1 1 63 63 ASP H H 1 8.140 1 . 1 . . . . 63 ASP H . 11434 1 290 . 1 1 63 63 ASP CA C 13 52.557 1 . 1 . . . . 63 ASP CA . 11434 1 291 . 1 1 63 63 ASP CB C 13 42.203 1 . 1 . . . . 63 ASP CB . 11434 1 292 . 1 1 63 63 ASP N N 15 127.400 0.046 . 1 . . . . 63 ASP N . 11434 1 293 . 1 1 64 64 PRO CA C 13 64.826 1 . 1 . . . . 64 PRO CA . 11434 1 294 . 1 1 64 64 PRO CB C 13 32.936 1 . 1 . . . . 64 PRO CB . 11434 1 295 . 1 1 65 65 ALA H H 1 8.931 1 . 1 . . . . 65 ALA H . 11434 1 296 . 1 1 65 65 ALA C C 13 177.963 0.000 . 1 . . . . 65 ALA C . 11434 1 297 . 1 1 65 65 ALA CA C 13 55.449 1 . 1 . . . . 65 ALA CA . 11434 1 298 . 1 1 65 65 ALA CB C 13 18.700 1 . 1 . . . . 65 ALA CB . 11434 1 299 . 1 1 65 65 ALA N N 15 117.655 0.028 . 1 . . . . 65 ALA N . 11434 1 300 . 1 1 66 66 VAL H H 1 7.694 1 . 1 . . . . 66 VAL H . 11434 1 301 . 1 1 66 66 VAL C C 13 173.775 0.000 . 1 . . . . 66 VAL C . 11434 1 302 . 1 1 66 66 VAL CA C 13 66.564 1 . 1 . . . . 66 VAL CA . 11434 1 303 . 1 1 66 66 VAL CB C 13 31.128 1 . 1 . . . . 66 VAL CB . 11434 1 304 . 1 1 66 66 VAL N N 15 116.469 0.045 . 1 . . . . 66 VAL N . 11434 1 305 . 1 1 67 67 ILE H H 1 6.700 1 . 1 . . . . 67 ILE H . 11434 1 306 . 1 1 67 67 ILE C C 13 174.763 0.000 . 1 . . . . 67 ILE C . 11434 1 307 . 1 1 67 67 ILE CA C 13 66.346 1 . 1 . . . . 67 ILE CA . 11434 1 308 . 1 1 67 67 ILE CB C 13 37.445 1 . 1 . . . . 67 ILE CB . 11434 1 309 . 1 1 67 67 ILE N N 15 118.824 0.034 . 1 . . . . 67 ILE N . 11434 1 310 . 1 1 68 68 ALA H H 1 8.075 1 . 1 . . . . 68 ALA H . 11434 1 311 . 1 1 68 68 ALA C C 13 176.155 0.000 . 1 . . . . 68 ALA C . 11434 1 312 . 1 1 68 68 ALA CA C 13 55.196 1 . 1 . . . . 68 ALA CA . 11434 1 313 . 1 1 68 68 ALA CB C 13 17.898 1 . 1 . . . . 68 ALA CB . 11434 1 314 . 1 1 68 68 ALA N N 15 119.684 0.054 . 1 . . . . 68 ALA N . 11434 1 315 . 1 1 69 69 GLY H H 1 8.327 1 . 1 . . . . 69 GLY H . 11434 1 316 . 1 1 69 69 GLY C C 13 172.118 0.000 . 1 . . . . 69 GLY C . 11434 1 317 . 1 1 69 69 GLY CA C 13 48.423 1 . 1 . . . . 69 GLY CA . 11434 1 318 . 1 1 69 69 GLY N N 15 106.083 0.045 . 1 . . . . 69 GLY N . 11434 1 319 . 1 1 70 70 ILE H H 1 7.968 1 . 1 . . . . 70 ILE H . 11434 1 320 . 1 1 70 70 ILE C C 13 174.539 0.000 . 1 . . . . 70 ILE C . 11434 1 321 . 1 1 70 70 ILE CA C 13 65.573 1 . 1 . . . . 70 ILE CA . 11434 1 322 . 1 1 70 70 ILE CB C 13 37.739 1 . 1 . . . . 70 ILE CB . 11434 1 323 . 1 1 70 70 ILE N N 15 121.517 0.027 . 1 . . . . 70 ILE N . 11434 1 324 . 1 1 71 71 ILE H H 1 8.378 1 . 1 . . . . 71 ILE H . 11434 1 325 . 1 1 71 71 ILE C C 13 176.723 0.000 . 1 . . . . 71 ILE C . 11434 1 326 . 1 1 71 71 ILE CA C 13 65.427 1 . 1 . . . . 71 ILE CA . 11434 1 327 . 1 1 71 71 ILE CB C 13 37.449 1 . 1 . . . . 71 ILE CB . 11434 1 328 . 1 1 71 71 ILE N N 15 119.719 0.042 . 1 . . . . 71 ILE N . 11434 1 329 . 1 1 72 72 SER H H 1 8.606 1 . 1 . . . . 72 SER H . 11434 1 330 . 1 1 72 72 SER C C 13 173.883 0.000 . 1 . . . . 72 SER C . 11434 1 331 . 1 1 72 72 SER CA C 13 61.686 1 . 1 . . . . 72 SER CA . 11434 1 332 . 1 1 72 72 SER CB C 13 63.673 1 . 1 . . . . 72 SER CB . 11434 1 333 . 1 1 72 72 SER N N 15 114.908 0.050 . 1 . . . . 72 SER N . 11434 1 334 . 1 1 73 73 ARG H H 1 7.604 1 . 1 . . . . 73 ARG H . 11434 1 335 . 1 1 73 73 ARG C C 13 174.769 0.000 . 1 . . . . 73 ARG C . 11434 1 336 . 1 1 73 73 ARG CA C 13 57.420 1 . 1 . . . . 73 ARG CA . 11434 1 337 . 1 1 73 73 ARG CB C 13 30.755 1 . 1 . . . . 73 ARG CB . 11434 1 338 . 1 1 73 73 ARG N N 15 118.325 0.032 . 1 . . . . 73 ARG N . 11434 1 339 . 1 1 74 74 GLU H H 1 9.458 1 . 1 . . . . 74 GLU H . 11434 1 340 . 1 1 74 74 GLU C C 13 175.851 0.000 . 1 . . . . 74 GLU C . 11434 1 341 . 1 1 74 74 GLU CA C 13 58.142 1 . 1 . . . . 74 GLU CA . 11434 1 342 . 1 1 74 74 GLU CB C 13 29.336 1 . 1 . . . . 74 GLU CB . 11434 1 343 . 1 1 74 74 GLU N N 15 115.872 0.029 . 1 . . . . 74 GLU N . 11434 1 344 . 1 1 75 75 SER H H 1 8.292 1 . 1 . . . . 75 SER H . 11434 1 345 . 1 1 75 75 SER C C 13 173.670 0.000 . 1 . . . . 75 SER C . 11434 1 346 . 1 1 75 75 SER CA C 13 57.856 1 . 1 . . . . 75 SER CA . 11434 1 347 . 1 1 75 75 SER CB C 13 67.456 1 . 1 . . . . 75 SER CB . 11434 1 348 . 1 1 75 75 SER N N 15 106.908 0.041 . 1 . . . . 75 SER N . 11434 1 349 . 1 1 76 76 HIS H H 1 8.321 1 . 1 . . . . 76 HIS H . 11434 1 350 . 1 1 76 76 HIS C C 13 173.086 0.000 . 1 . . . . 76 HIS C . 11434 1 351 . 1 1 76 76 HIS CA C 13 57.713 1 . 1 . . . . 76 HIS CA . 11434 1 352 . 1 1 76 76 HIS CB C 13 27.308 1 . 1 . . . . 76 HIS CB . 11434 1 353 . 1 1 76 76 HIS N N 15 121.971 0.038 . 1 . . . . 76 HIS N . 11434 1 354 . 1 1 77 77 ALA H H 1 7.457 1 . 1 . . . . 77 ALA H . 11434 1 355 . 1 1 77 77 ALA C C 13 172.025 0.000 . 1 . . . . 77 ALA C . 11434 1 356 . 1 1 77 77 ALA CA C 13 53.060 1 . 1 . . . . 77 ALA CA . 11434 1 357 . 1 1 77 77 ALA CB C 13 16.575 1 . 1 . . . . 77 ALA CB . 11434 1 358 . 1 1 77 77 ALA N N 15 113.870 0.034 . 1 . . . . 77 ALA N . 11434 1 359 . 1 1 78 78 GLY H H 1 7.496 1 . 1 . . . . 78 GLY H . 11434 1 360 . 1 1 78 78 GLY CA C 13 45.736 1 . 1 . . . . 78 GLY CA . 11434 1 361 . 1 1 78 78 GLY N N 15 103.112 0.043 . 1 . . . . 78 GLY N . 11434 1 362 . 1 1 79 79 LYS H H 1 7.632 1 . 1 . . . . 79 LYS H . 11434 1 363 . 1 1 79 79 LYS C C 13 174.681 0.000 . 1 . . . . 79 LYS C . 11434 1 364 . 1 1 79 79 LYS CA C 13 59.362 1 . 1 . . . . 79 LYS CA . 11434 1 365 . 1 1 79 79 LYS CB C 13 32.316 1 . 1 . . . . 79 LYS CB . 11434 1 366 . 1 1 79 79 LYS N N 15 121.140 0.037 . 1 . . . . 79 LYS N . 11434 1 367 . 1 1 80 80 ALA H H 1 7.586 1 . 1 . . . . 80 ALA H . 11434 1 368 . 1 1 80 80 ALA C C 13 173.956 0.000 . 1 . . . . 80 ALA C . 11434 1 369 . 1 1 80 80 ALA CA C 13 51.921 1 . 1 . . . . 80 ALA CA . 11434 1 370 . 1 1 80 80 ALA CB C 13 19.799 1 . 1 . . . . 80 ALA CB . 11434 1 371 . 1 1 80 80 ALA N N 15 116.102 0.024 . 1 . . . . 80 ALA N . 11434 1 372 . 1 1 81 81 LEU H H 1 6.941 1 . 1 . . . . 81 LEU H . 11434 1 373 . 1 1 81 81 LEU CA C 13 53.272 1 . 1 . . . . 81 LEU CA . 11434 1 374 . 1 1 81 81 LEU CB C 13 42.719 1 . 1 . . . . 81 LEU CB . 11434 1 375 . 1 1 81 81 LEU N N 15 115.272 0.050 . 1 . . . . 81 LEU N . 11434 1 376 . 1 1 82 82 ARG H H 1 8.696 1 . 1 . . . . 82 ARG H . 11434 1 377 . 1 1 82 82 ARG C C 13 173.691 0.000 . 1 . . . . 82 ARG C . 11434 1 378 . 1 1 82 82 ARG CA C 13 54.878 1 . 1 . . . . 82 ARG CA . 11434 1 379 . 1 1 82 82 ARG CB C 13 30.791 1 . 1 . . . . 82 ARG CB . 11434 1 380 . 1 1 82 82 ARG N N 15 120.191 0.046 . 1 . . . . 82 ARG N . 11434 1 381 . 1 1 83 83 ASN H H 1 9.310 1 . 1 . . . . 83 ASN H . 11434 1 382 . 1 1 83 83 ASN C C 13 171.666 0.000 . 1 . . . . 83 ASN C . 11434 1 383 . 1 1 83 83 ASN CA C 13 54.164 1 . 1 . . . . 83 ASN CA . 11434 1 384 . 1 1 83 83 ASN CB C 13 37.843 1 . 1 . . . . 83 ASN CB . 11434 1 385 . 1 1 83 83 ASN N N 15 126.535 0.062 . 1 . . . . 83 ASN N . 11434 1 386 . 1 1 84 84 GLY H H 1 7.320 1 . 1 . . . . 84 GLY H . 11434 1 387 . 1 1 84 84 GLY C C 13 169.180 0.000 . 1 . . . . 84 GLY C . 11434 1 388 . 1 1 84 84 GLY CA C 13 45.090 1 . 1 . . . . 84 GLY CA . 11434 1 389 . 1 1 84 84 GLY N N 15 100.414 0.049 . 1 . . . . 84 GLY N . 11434 1 390 . 1 1 85 85 TRP H H 1 7.566 1 . 1 . . . . 85 TRP H . 11434 1 391 . 1 1 85 85 TRP C C 13 174.959 0.000 . 1 . . . . 85 TRP C . 11434 1 392 . 1 1 85 85 TRP CA C 13 56.188 1 . 1 . . . . 85 TRP CA . 11434 1 393 . 1 1 85 85 TRP CB C 13 32.056 1 . 1 . . . . 85 TRP CB . 11434 1 394 . 1 1 85 85 TRP N N 15 119.863 0.029 . 1 . . . . 85 TRP N . 11434 1 395 . 1 1 86 86 GLY H H 1 9.334 1 . 1 . . . . 86 GLY H . 11434 1 396 . 1 1 86 86 GLY C C 13 173.188 0.000 . 1 . . . . 86 GLY C . 11434 1 397 . 1 1 86 86 GLY CA C 13 44.638 1 . 1 . . . . 86 GLY CA . 11434 1 398 . 1 1 86 86 GLY N N 15 109.753 0.028 . 1 . . . . 86 GLY N . 11434 1 399 . 1 1 87 87 ASP H H 1 8.946 1 . 1 . . . . 87 ASP H . 11434 1 400 . 1 1 87 87 ASP C C 13 174.700 0.000 . 1 . . . . 87 ASP C . 11434 1 401 . 1 1 87 87 ASP CA C 13 56.832 1 . 1 . . . . 87 ASP CA . 11434 1 402 . 1 1 87 87 ASP CB C 13 40.358 1 . 1 . . . . 87 ASP CB . 11434 1 403 . 1 1 87 87 ASP N N 15 121.716 0.028 . 1 . . . . 87 ASP N . 11434 1 404 . 1 1 88 88 ASN H H 1 8.563 1 . 1 . . . . 88 ASN H . 11434 1 405 . 1 1 88 88 ASN C C 13 173.858 0.000 . 1 . . . . 88 ASN C . 11434 1 406 . 1 1 88 88 ASN CA C 13 53.199 1 . 1 . . . . 88 ASN CA . 11434 1 407 . 1 1 88 88 ASN CB C 13 37.737 1 . 1 . . . . 88 ASN CB . 11434 1 408 . 1 1 88 88 ASN N N 15 114.774 0.050 . 1 . . . . 88 ASN N . 11434 1 409 . 1 1 89 89 GLY H H 1 8.149 1 . 1 . . . . 89 GLY H . 11434 1 410 . 1 1 89 89 GLY C C 13 170.332 0.000 . 1 . . . . 89 GLY C . 11434 1 411 . 1 1 89 89 GLY CA C 13 46.029 1 . 1 . . . . 89 GLY CA . 11434 1 412 . 1 1 89 89 GLY N N 15 106.693 0.046 . 1 . . . . 89 GLY N . 11434 1 413 . 1 1 90 90 ASN H H 1 8.320 1 . 1 . . . . 90 ASN H . 11434 1 414 . 1 1 90 90 ASN C C 13 172.418 0.000 . 1 . . . . 90 ASN C . 11434 1 415 . 1 1 90 90 ASN CA C 13 54.441 1 . 1 . . . . 90 ASN CA . 11434 1 416 . 1 1 90 90 ASN CB C 13 40.573 1 . 1 . . . . 90 ASN CB . 11434 1 417 . 1 1 90 90 ASN N N 15 116.336 0.066 . 1 . . . . 90 ASN N . 11434 1 418 . 1 1 91 91 GLY H H 1 8.705 1 . 1 . . . . 91 GLY H . 11434 1 419 . 1 1 91 91 GLY C C 13 170.269 0.000 . 1 . . . . 91 GLY C . 11434 1 420 . 1 1 91 91 GLY CA C 13 44.888 1 . 1 . . . . 91 GLY CA . 11434 1 421 . 1 1 91 91 GLY N N 15 107.764 0.030 . 1 . . . . 91 GLY N . 11434 1 422 . 1 1 92 92 PHE H H 1 9.282 1 . 1 . . . . 92 PHE H . 11434 1 423 . 1 1 92 92 PHE C C 13 173.835 0.000 . 1 . . . . 92 PHE C . 11434 1 424 . 1 1 92 92 PHE CA C 13 56.635 1 . 1 . . . . 92 PHE CA . 11434 1 425 . 1 1 92 92 PHE CB C 13 42.245 1 . 1 . . . . 92 PHE CB . 11434 1 426 . 1 1 92 92 PHE N N 15 126.240 0.036 . 1 . . . . 92 PHE N . 11434 1 427 . 1 1 93 93 GLY H H 1 8.198 1 . 1 . . . . 93 GLY H . 11434 1 428 . 1 1 93 93 GLY C C 13 172.676 0.000 . 1 . . . . 93 GLY C . 11434 1 429 . 1 1 93 93 GLY CA C 13 43.749 1 . 1 . . . . 93 GLY CA . 11434 1 430 . 1 1 93 93 GLY N N 15 111.409 0.041 . 1 . . . . 93 GLY N . 11434 1 431 . 1 1 94 94 LEU H H 1 7.041 1 . 1 . . . . 94 LEU H . 11434 1 432 . 1 1 94 94 LEU C C 13 175.905 0.000 . 1 . . . . 94 LEU C . 11434 1 433 . 1 1 94 94 LEU CA C 13 57.716 1 . 1 . . . . 94 LEU CA . 11434 1 434 . 1 1 94 94 LEU CB C 13 43.916 1 . 1 . . . . 94 LEU CB . 11434 1 435 . 1 1 94 94 LEU N N 15 120.804 0.030 . 1 . . . . 94 LEU N . 11434 1 436 . 1 1 95 95 MET H H 1 12.214 1 . 1 . . . . 95 MET H . 11434 1 437 . 1 1 95 95 MET C C 13 171.756 0.000 . 1 . . . . 95 MET C . 11434 1 438 . 1 1 95 95 MET CA C 13 57.200 1 . 1 . . . . 95 MET CA . 11434 1 439 . 1 1 95 95 MET CB C 13 33.294 1 . 1 . . . . 95 MET CB . 11434 1 440 . 1 1 95 95 MET N N 15 116.920 0.034 . 1 . . . . 95 MET N . 11434 1 441 . 1 1 96 96 GLN H H 1 7.796 1 . 1 . . . . 96 GLN H . 11434 1 442 . 1 1 96 96 GLN C C 13 173.177 0.000 . 1 . . . . 96 GLN C . 11434 1 443 . 1 1 96 96 GLN CA C 13 55.564 1 . 1 . . . . 96 GLN CA . 11434 1 444 . 1 1 96 96 GLN CB C 13 27.588 1 . 1 . . . . 96 GLN CB . 11434 1 445 . 1 1 96 96 GLN N N 15 115.561 0.026 . 1 . . . . 96 GLN N . 11434 1 446 . 1 1 97 97 VAL H H 1 8.493 1 . 1 . . . . 97 VAL H . 11434 1 447 . 1 1 97 97 VAL C C 13 173.719 0.000 . 1 . . . . 97 VAL C . 11434 1 448 . 1 1 97 97 VAL CA C 13 63.668 1 . 1 . . . . 97 VAL CA . 11434 1 449 . 1 1 97 97 VAL CB C 13 33.036 1 . 1 . . . . 97 VAL CB . 11434 1 450 . 1 1 97 97 VAL N N 15 122.693 0.053 . 1 . . . . 97 VAL N . 11434 1 451 . 1 1 98 98 ASP H H 1 8.974 1 . 1 . . . . 98 ASP H . 11434 1 452 . 1 1 98 98 ASP C C 13 175.118 0.000 . 1 . . . . 98 ASP C . 11434 1 453 . 1 1 98 98 ASP CA C 13 54.197 1 . 1 . . . . 98 ASP CA . 11434 1 454 . 1 1 98 98 ASP CB C 13 42.359 1 . 1 . . . . 98 ASP CB . 11434 1 455 . 1 1 98 98 ASP N N 15 130.141 0.037 . 1 . . . . 98 ASP N . 11434 1 456 . 1 1 99 99 ARG H H 1 8.974 1 . 1 . . . . 99 ARG H . 11434 1 457 . 1 1 99 99 ARG C C 13 173.986 0.000 . 1 . . . . 99 ARG C . 11434 1 458 . 1 1 99 99 ARG CA C 13 57.109 1 . 1 . . . . 99 ARG CA . 11434 1 459 . 1 1 99 99 ARG CB C 13 29.404 1 . 1 . . . . 99 ARG CB . 11434 1 460 . 1 1 99 99 ARG N N 15 127.442 0.039 . 1 . . . . 99 ARG N . 11434 1 461 . 1 1 100 100 ARG H H 1 9.084 1 . 1 . . . . 100 ARG H . 11434 1 462 . 1 1 100 100 ARG C C 13 175.009 0.000 . 1 . . . . 100 ARG C . 11434 1 463 . 1 1 100 100 ARG CA C 13 57.859 1 . 1 . . . . 100 ARG CA . 11434 1 464 . 1 1 100 100 ARG CB C 13 29.641 1 . 1 . . . . 100 ARG CB . 11434 1 465 . 1 1 100 100 ARG N N 15 120.751 0.039 . 1 . . . . 100 ARG N . 11434 1 466 . 1 1 101 101 SER H H 1 7.575 1 . 1 . . . . 101 SER H . 11434 1 467 . 1 1 101 101 SER C C 13 170.479 0.000 . 1 . . . . 101 SER C . 11434 1 468 . 1 1 101 101 SER CA C 13 58.172 1 . 1 . . . . 101 SER CA . 11434 1 469 . 1 1 101 101 SER CB C 13 64.918 1 . 1 . . . . 101 SER CB . 11434 1 470 . 1 1 101 101 SER N N 15 111.079 0.034 . 1 . . . . 101 SER N . 11434 1 471 . 1 1 102 102 HIS H H 1 8.084 1 . 1 . . . . 102 HIS H . 11434 1 472 . 1 1 102 102 HIS C C 13 169.582 0.000 . 1 . . . . 102 HIS C . 11434 1 473 . 1 1 102 102 HIS CA C 13 54.158 1 . 1 . . . . 102 HIS CA . 11434 1 474 . 1 1 102 102 HIS CB C 13 32.041 1 . 1 . . . . 102 HIS CB . 11434 1 475 . 1 1 102 102 HIS N N 15 118.855 0.047 . 1 . . . . 102 HIS N . 11434 1 476 . 1 1 103 103 LYS H H 1 8.532 1 . 1 . . . . 103 LYS H . 11434 1 477 . 1 1 103 103 LYS CA C 13 53.933 1 . 1 . . . . 103 LYS CA . 11434 1 478 . 1 1 103 103 LYS CB C 13 31.948 1 . 1 . . . . 103 LYS CB . 11434 1 479 . 1 1 103 103 LYS N N 15 123.224 0.047 . 1 . . . . 103 LYS N . 11434 1 480 . 1 1 104 104 PRO CA C 13 62.965 1 . 1 . . . . 104 PRO CA . 11434 1 481 . 1 1 104 104 PRO CB C 13 32.302 1 . 1 . . . . 104 PRO CB . 11434 1 482 . 1 1 105 105 VAL H H 1 7.915 1 . 1 . . . . 105 VAL H . 11434 1 483 . 1 1 105 105 VAL C C 13 173.384 0.000 . 1 . . . . 105 VAL C . 11434 1 484 . 1 1 105 105 VAL CA C 13 60.040 1 . 1 . . . . 105 VAL CA . 11434 1 485 . 1 1 105 105 VAL CB C 13 34.973 1 . 1 . . . . 105 VAL CB . 11434 1 486 . 1 1 105 105 VAL N N 15 118.096 0.043 . 1 . . . . 105 VAL N . 11434 1 487 . 1 1 106 106 GLY H H 1 8.175 1 . 1 . . . . 106 GLY H . 11434 1 488 . 1 1 106 106 GLY C C 13 170.729 0.000 . 1 . . . . 106 GLY C . 11434 1 489 . 1 1 106 106 GLY CA C 13 44.301 1 . 1 . . . . 106 GLY CA . 11434 1 490 . 1 1 106 106 GLY N N 15 105.920 0.036 . 1 . . . . 106 GLY N . 11434 1 491 . 1 1 107 107 GLU H H 1 8.218 1 . 1 . . . . 107 GLU H . 11434 1 492 . 1 1 107 107 GLU C C 13 177.556 0.000 . 1 . . . . 107 GLU C . 11434 1 493 . 1 1 107 107 GLU CA C 13 56.473 1 . 1 . . . . 107 GLU CA . 11434 1 494 . 1 1 107 107 GLU CB C 13 30.228 1 . 1 . . . . 107 GLU CB . 11434 1 495 . 1 1 107 107 GLU N N 15 115.139 0.038 . 1 . . . . 107 GLU N . 11434 1 496 . 1 1 108 108 TRP H H 1 8.566 1 . 1 . . . . 108 TRP H . 11434 1 497 . 1 1 108 108 TRP C C 13 170.379 0.000 . 1 . . . . 108 TRP C . 11434 1 498 . 1 1 108 108 TRP CA C 13 58.692 1 . 1 . . . . 108 TRP CA . 11434 1 499 . 1 1 108 108 TRP CB C 13 29.050 1 . 1 . . . . 108 TRP CB . 11434 1 500 . 1 1 108 108 TRP N N 15 119.837 0.028 . 1 . . . . 108 TRP N . 11434 1 501 . 1 1 109 109 ASN H H 1 6.541 1 . 1 . . . . 109 ASN H . 11434 1 502 . 1 1 109 109 ASN C C 13 171.625 0.000 . 1 . . . . 109 ASN C . 11434 1 503 . 1 1 109 109 ASN CA C 13 49.600 1 . 1 . . . . 109 ASN CA . 11434 1 504 . 1 1 109 109 ASN CB C 13 35.044 1 . 1 . . . . 109 ASN CB . 11434 1 505 . 1 1 109 109 ASN N N 15 114.173 0.022 . 1 . . . . 109 ASN N . 11434 1 506 . 1 1 110 110 GLY H H 1 6.828 1 . 1 . . . . 110 GLY H . 11434 1 507 . 1 1 110 110 GLY C C 13 171.435 0.000 . 1 . . . . 110 GLY C . 11434 1 508 . 1 1 110 110 GLY CA C 13 44.153 1 . 1 . . . . 110 GLY CA . 11434 1 509 . 1 1 110 110 GLY N N 15 102.055 0.046 . 1 . . . . 110 GLY N . 11434 1 510 . 1 1 111 111 GLU H H 1 8.708 1 . 1 . . . . 111 GLU H . 11434 1 511 . 1 1 111 111 GLU C C 13 175.242 0.000 . 1 . . . . 111 GLU C . 11434 1 512 . 1 1 111 111 GLU CA C 13 60.243 1 . 1 . . . . 111 GLU CA . 11434 1 513 . 1 1 111 111 GLU CB C 13 30.714 1 . 1 . . . . 111 GLU CB . 11434 1 514 . 1 1 111 111 GLU N N 15 118.911 0.042 . 1 . . . . 111 GLU N . 11434 1 515 . 1 1 112 112 ARG H H 1 8.659 1 . 1 . . . . 112 ARG H . 11434 1 516 . 1 1 112 112 ARG CA C 13 60.015 1 . 1 . . . . 112 ARG CA . 11434 1 517 . 1 1 112 112 ARG CB C 13 29.908 1 . 1 . . . . 112 ARG CB . 11434 1 518 . 1 1 112 112 ARG N N 15 117.685 0.054 . 1 . . . . 112 ARG N . 11434 1 519 . 1 1 113 113 HIS H H 1 8.700 1 . 1 . . . . 113 HIS H . 11434 1 520 . 1 1 113 113 HIS C C 13 173.697 0.000 . 1 . . . . 113 HIS C . 11434 1 521 . 1 1 113 113 HIS CA C 13 59.434 1 . 1 . . . . 113 HIS CA . 11434 1 522 . 1 1 113 113 HIS CB C 13 28.470 1 . 1 . . . . 113 HIS CB . 11434 1 523 . 1 1 113 113 HIS N N 15 120.239 0.029 . 1 . . . . 113 HIS N . 11434 1 524 . 1 1 114 114 LEU H H 1 7.645 1 . 1 . . . . 114 LEU H . 11434 1 525 . 1 1 114 114 LEU C C 13 178.059 0.000 . 1 . . . . 114 LEU C . 11434 1 526 . 1 1 114 114 LEU CA C 13 57.003 1 . 1 . . . . 114 LEU CA . 11434 1 527 . 1 1 114 114 LEU CB C 13 42.862 1 . 1 . . . . 114 LEU CB . 11434 1 528 . 1 1 114 114 LEU N N 15 117.678 0.029 . 1 . . . . 114 LEU N . 11434 1 529 . 1 1 115 115 MET H H 1 8.811 1 . 1 . . . . 115 MET H . 11434 1 530 . 1 1 115 115 MET C C 13 174.212 0.000 . 1 . . . . 115 MET C . 11434 1 531 . 1 1 115 115 MET CA C 13 57.771 1 . 1 . . . . 115 MET CA . 11434 1 532 . 1 1 115 115 MET CB C 13 30.701 1 . 1 . . . . 115 MET CB . 11434 1 533 . 1 1 115 115 MET N N 15 120.095 0.031 . 1 . . . . 115 MET N . 11434 1 534 . 1 1 116 116 GLN H H 1 7.632 1 . 1 . . . . 116 GLN H . 11434 1 535 . 1 1 116 116 GLN C C 13 176.696 0.000 . 1 . . . . 116 GLN C . 11434 1 536 . 1 1 116 116 GLN CA C 13 59.628 1 . 1 . . . . 116 GLN CA . 11434 1 537 . 1 1 116 116 GLN CB C 13 27.929 1 . 1 . . . . 116 GLN CB . 11434 1 538 . 1 1 116 116 GLN N N 15 120.290 0.022 . 1 . . . . 116 GLN N . 11434 1 539 . 1 1 117 117 GLY H H 1 8.739 1 . 1 . . . . 117 GLY H . 11434 1 540 . 1 1 117 117 GLY C C 13 172.825 0.000 . 1 . . . . 117 GLY C . 11434 1 541 . 1 1 117 117 GLY CA C 13 47.554 1 . 1 . . . . 117 GLY CA . 11434 1 542 . 1 1 117 117 GLY N N 15 104.466 0.044 . 1 . . . . 117 GLY N . 11434 1 543 . 1 1 118 118 THR H H 1 8.035 1 . 1 . . . . 118 THR H . 11434 1 544 . 1 1 118 118 THR C C 13 173.721 0.000 . 1 . . . . 118 THR C . 11434 1 545 . 1 1 118 118 THR CA C 13 68.153 1 . 1 . . . . 118 THR CA . 11434 1 546 . 1 1 118 118 THR CB C 13 66.527 1 . 1 . . . . 118 THR CB . 11434 1 547 . 1 1 118 118 THR N N 15 118.905 0.025 . 1 . . . . 118 THR N . 11434 1 548 . 1 1 119 119 GLU H H 1 8.719 1 . 1 . . . . 119 GLU H . 11434 1 549 . 1 1 119 119 GLU C C 13 177.840 0.000 . 1 . . . . 119 GLU C . 11434 1 550 . 1 1 119 119 GLU CA C 13 60.292 1 . 1 . . . . 119 GLU CA . 11434 1 551 . 1 1 119 119 GLU CB C 13 29.002 1 . 1 . . . . 119 GLU CB . 11434 1 552 . 1 1 119 119 GLU N N 15 123.335 0.050 . 1 . . . . 119 GLU N . 11434 1 553 . 1 1 120 120 ILE H H 1 8.045 1 . 1 . . . . 120 ILE H . 11434 1 554 . 1 1 120 120 ILE CA C 13 65.851 1 . 1 . . . . 120 ILE CA . 11434 1 555 . 1 1 120 120 ILE CB C 13 37.620 1 . 1 . . . . 120 ILE CB . 11434 1 556 . 1 1 120 120 ILE N N 15 122.722 0.038 . 1 . . . . 120 ILE N . 11434 1 557 . 1 1 121 121 LEU H H 1 8.105 1 . 1 . . . . 121 LEU H . 11434 1 558 . 1 1 121 121 LEU C C 13 175.551 0.000 . 1 . . . . 121 LEU C . 11434 1 559 . 1 1 121 121 LEU CA C 13 59.586 1 . 1 . . . . 121 LEU CA . 11434 1 560 . 1 1 121 121 LEU CB C 13 40.218 1 . 1 . . . . 121 LEU CB . 11434 1 561 . 1 1 121 121 LEU N N 15 122.348 0.026 . 1 . . . . 121 LEU N . 11434 1 562 . 1 1 122 122 ILE H H 1 8.671 1 . 1 . . . . 122 ILE H . 11434 1 563 . 1 1 122 122 ILE CA C 13 66.303 1 . 1 . . . . 122 ILE CA . 11434 1 564 . 1 1 122 122 ILE CB C 13 37.937 1 . 1 . . . . 122 ILE CB . 11434 1 565 . 1 1 122 122 ILE N N 15 119.704 0.050 . 1 . . . . 122 ILE N . 11434 1 566 . 1 1 123 123 SER H H 1 8.221 1 . 1 . . . . 123 SER H . 11434 1 567 . 1 1 123 123 SER C C 13 174.838 0.000 . 1 . . . . 123 SER C . 11434 1 568 . 1 1 123 123 SER CA C 13 62.433 1 . 1 . . . . 123 SER CA . 11434 1 569 . 1 1 123 123 SER N N 15 116.291 0.077 . 1 . . . . 123 SER N . 11434 1 570 . 1 1 124 124 MET H H 1 8.084 1 . 1 . . . . 124 MET H . 11434 1 571 . 1 1 124 124 MET C C 13 175.688 0.000 . 1 . . . . 124 MET C . 11434 1 572 . 1 1 124 124 MET CA C 13 57.229 1 . 1 . . . . 124 MET CA . 11434 1 573 . 1 1 124 124 MET CB C 13 33.944 1 . 1 . . . . 124 MET CB . 11434 1 574 . 1 1 124 124 MET N N 15 122.580 0.032 . 1 . . . . 124 MET N . 11434 1 575 . 1 1 125 125 ILE H H 1 8.580 1 . 1 . . . . 125 ILE H . 11434 1 576 . 1 1 125 125 ILE C C 13 176.157 0.000 . 1 . . . . 125 ILE C . 11434 1 577 . 1 1 125 125 ILE CA C 13 66.571 1 . 1 . . . . 125 ILE CA . 11434 1 578 . 1 1 125 125 ILE CB C 13 38.462 1 . 1 . . . . 125 ILE CB . 11434 1 579 . 1 1 125 125 ILE N N 15 121.125 0.033 . 1 . . . . 125 ILE N . 11434 1 580 . 1 1 126 126 LYS H H 1 8.983 1 . 1 . . . . 126 LYS H . 11434 1 581 . 1 1 126 126 LYS C C 13 176.913 0.000 . 1 . . . . 126 LYS C . 11434 1 582 . 1 1 126 126 LYS CA C 13 60.075 1 . 1 . . . . 126 LYS CA . 11434 1 583 . 1 1 126 126 LYS CB C 13 32.158 1 . 1 . . . . 126 LYS CB . 11434 1 584 . 1 1 126 126 LYS N N 15 118.225 0.067 . 1 . . . . 126 LYS N . 11434 1 585 . 1 1 127 127 ALA H H 1 7.889 1 . 1 . . . . 127 ALA H . 11434 1 586 . 1 1 127 127 ALA C C 13 178.442 0.000 . 1 . . . . 127 ALA C . 11434 1 587 . 1 1 127 127 ALA CA C 13 55.090 1 . 1 . . . . 127 ALA CA . 11434 1 588 . 1 1 127 127 ALA CB C 13 17.558 1 . 1 . . . . 127 ALA CB . 11434 1 589 . 1 1 127 127 ALA N N 15 121.974 0.053 . 1 . . . . 127 ALA N . 11434 1 590 . 1 1 128 128 ILE H H 1 8.067 1 . 1 . . . . 128 ILE H . 11434 1 591 . 1 1 128 128 ILE C C 13 174.870 0.000 . 1 . . . . 128 ILE C . 11434 1 592 . 1 1 128 128 ILE CA C 13 61.399 1 . 1 . . . . 128 ILE CA . 11434 1 593 . 1 1 128 128 ILE CB C 13 34.559 1 . 1 . . . . 128 ILE CB . 11434 1 594 . 1 1 128 128 ILE N N 15 121.806 0.045 . 1 . . . . 128 ILE N . 11434 1 595 . 1 1 129 129 GLN H H 1 8.932 1 . 1 . . . . 129 GLN H . 11434 1 596 . 1 1 129 129 GLN C C 13 175.679 0.000 . 1 . . . . 129 GLN C . 11434 1 597 . 1 1 129 129 GLN CA C 13 59.063 1 . 1 . . . . 129 GLN CA . 11434 1 598 . 1 1 129 129 GLN CB C 13 27.887 1 . 1 . . . . 129 GLN CB . 11434 1 599 . 1 1 129 129 GLN N N 15 121.133 0.026 . 1 . . . . 129 GLN N . 11434 1 600 . 1 1 130 130 LYS H H 1 7.372 1 . 1 . . . . 130 LYS H . 11434 1 601 . 1 1 130 130 LYS C C 13 175.104 0.000 . 1 . . . . 130 LYS C . 11434 1 602 . 1 1 130 130 LYS CA C 13 57.989 1 . 1 . . . . 130 LYS CA . 11434 1 603 . 1 1 130 130 LYS CB C 13 32.644 1 . 1 . . . . 130 LYS CB . 11434 1 604 . 1 1 130 130 LYS N N 15 115.351 0.019 . 1 . . . . 130 LYS N . 11434 1 605 . 1 1 131 131 LYS H H 1 7.457 1 . 1 . . . . 131 LYS H . 11434 1 606 . 1 1 131 131 LYS C C 13 173.319 0.000 . 1 . . . . 131 LYS C . 11434 1 607 . 1 1 131 131 LYS CA C 13 58.697 1 . 1 . . . . 131 LYS CA . 11434 1 608 . 1 1 131 131 LYS CB C 13 34.783 1 . 1 . . . . 131 LYS CB . 11434 1 609 . 1 1 131 131 LYS N N 15 120.010 0.028 . 1 . . . . 131 LYS N . 11434 1 610 . 1 1 132 132 PHE H H 1 7.985 1 . 1 . . . . 132 PHE H . 11434 1 611 . 1 1 132 132 PHE CA C 13 54.874 1 . 1 . . . . 132 PHE CA . 11434 1 612 . 1 1 132 132 PHE CB C 13 37.394 1 . 1 . . . . 132 PHE CB . 11434 1 613 . 1 1 132 132 PHE N N 15 115.188 0.061 . 1 . . . . 132 PHE N . 11434 1 614 . 1 1 133 133 PRO CA C 13 64.448 1 . 1 . . . . 133 PRO CA . 11434 1 615 . 1 1 133 133 PRO CB C 13 32.312 1 . 1 . . . . 133 PRO CB . 11434 1 616 . 1 1 134 134 ARG H H 1 8.566 1 . 1 . . . . 134 ARG H . 11434 1 617 . 1 1 134 134 ARG C C 13 175.403 0.000 . 1 . . . . 134 ARG C . 11434 1 618 . 1 1 134 134 ARG CA C 13 55.801 1 . 1 . . . . 134 ARG CA . 11434 1 619 . 1 1 134 134 ARG CB C 13 29.611 1 . 1 . . . . 134 ARG CB . 11434 1 620 . 1 1 134 134 ARG N N 15 115.588 0.031 . 1 . . . . 134 ARG N . 11434 1 621 . 1 1 135 135 TRP H H 1 7.400 1 . 1 . . . . 135 TRP H . 11434 1 622 . 1 1 135 135 TRP C C 13 173.531 0.000 . 1 . . . . 135 TRP C . 11434 1 623 . 1 1 135 135 TRP CA C 13 55.922 1 . 1 . . . . 135 TRP CA . 11434 1 624 . 1 1 135 135 TRP CB C 13 31.446 1 . 1 . . . . 135 TRP CB . 11434 1 625 . 1 1 135 135 TRP N N 15 121.904 0.043 . 1 . . . . 135 TRP N . 11434 1 626 . 1 1 136 136 THR H H 1 8.734 1 . 1 . . . . 136 THR H . 11434 1 627 . 1 1 136 136 THR C C 13 173.438 0.000 . 1 . . . . 136 THR C . 11434 1 628 . 1 1 136 136 THR CA C 13 60.955 1 . 1 . . . . 136 THR CA . 11434 1 629 . 1 1 136 136 THR CB C 13 71.501 1 . 1 . . . . 136 THR CB . 11434 1 630 . 1 1 136 136 THR N N 15 109.854 1 . 1 . . . . 136 THR N . 11434 1 631 . 1 1 137 137 LYS H H 1 8.997 1 . 1 . . . . 137 LYS H . 11434 1 632 . 1 1 137 137 LYS C C 13 176.534 0.000 . 1 . . . . 137 LYS C . 11434 1 633 . 1 1 137 137 LYS CA C 13 59.642 1 . 1 . . . . 137 LYS CA . 11434 1 634 . 1 1 137 137 LYS CB C 13 31.735 1 . 1 . . . . 137 LYS CB . 11434 1 635 . 1 1 137 137 LYS N N 15 120.298 0.048 . 1 . . . . 137 LYS N . 11434 1 636 . 1 1 138 138 GLU H H 1 7.947 1 . 1 . . . . 138 GLU H . 11434 1 637 . 1 1 138 138 GLU C C 13 174.969 0.000 . 1 . . . . 138 GLU C . 11434 1 638 . 1 1 138 138 GLU CA C 13 62.162 1 . 1 . . . . 138 GLU CA . 11434 1 639 . 1 1 138 138 GLU CB C 13 29.406 1 . 1 . . . . 138 GLU CB . 11434 1 640 . 1 1 138 138 GLU N N 15 117.978 0.031 . 1 . . . . 138 GLU N . 11434 1 641 . 1 1 139 139 GLN H H 1 7.585 1 . 1 . . . . 139 GLN H . 11434 1 642 . 1 1 139 139 GLN C C 13 176.409 0.000 . 1 . . . . 139 GLN C . 11434 1 643 . 1 1 139 139 GLN CA C 13 58.899 1 . 1 . . . . 139 GLN CA . 11434 1 644 . 1 1 139 139 GLN CB C 13 29.791 1 . 1 . . . . 139 GLN CB . 11434 1 645 . 1 1 139 139 GLN N N 15 118.632 0.018 . 1 . . . . 139 GLN N . 11434 1 646 . 1 1 140 140 GLN H H 1 8.546 1 . 1 . . . . 140 GLN H . 11434 1 647 . 1 1 140 140 GLN C C 13 175.211 0.000 . 1 . . . . 140 GLN C . 11434 1 648 . 1 1 140 140 GLN CA C 13 58.495 1 . 1 . . . . 140 GLN CA . 11434 1 649 . 1 1 140 140 GLN CB C 13 27.510 1 . 1 . . . . 140 GLN CB . 11434 1 650 . 1 1 140 140 GLN N N 15 116.994 0.028 . 1 . . . . 140 GLN N . 11434 1 651 . 1 1 141 141 LEU H H 1 8.523 1 . 1 . . . . 141 LEU H . 11434 1 652 . 1 1 141 141 LEU C C 13 175.179 0.000 . 1 . . . . 141 LEU C . 11434 1 653 . 1 1 141 141 LEU CA C 13 58.524 1 . 1 . . . . 141 LEU CA . 11434 1 654 . 1 1 141 141 LEU CB C 13 39.737 1 . 1 . . . . 141 LEU CB . 11434 1 655 . 1 1 141 141 LEU N N 15 122.302 0.034 . 1 . . . . 141 LEU N . 11434 1 656 . 1 1 142 142 LYS H H 1 7.803 1 . 1 . . . . 142 LYS H . 11434 1 657 . 1 1 142 142 LYS C C 13 175.733 0.000 . 1 . . . . 142 LYS C . 11434 1 658 . 1 1 142 142 LYS CA C 13 61.296 1 . 1 . . . . 142 LYS CA . 11434 1 659 . 1 1 142 142 LYS CB C 13 33.289 1 . 1 . . . . 142 LYS CB . 11434 1 660 . 1 1 142 142 LYS N N 15 118.667 0.044 . 1 . . . . 142 LYS N . 11434 1 661 . 1 1 143 143 GLY H H 1 8.764 1 . 1 . . . . 143 GLY H . 11434 1 662 . 1 1 143 143 GLY C C 13 172.672 0.000 . 1 . . . . 143 GLY C . 11434 1 663 . 1 1 143 143 GLY CA C 13 47.525 1 . 1 . . . . 143 GLY CA . 11434 1 664 . 1 1 143 143 GLY N N 15 102.761 0.045 . 1 . . . . 143 GLY N . 11434 1 665 . 1 1 144 144 GLY H H 1 9.274 1 . 1 . . . . 144 GLY H . 11434 1 666 . 1 1 144 144 GLY C C 13 171.686 0.000 . 1 . . . . 144 GLY C . 11434 1 667 . 1 1 144 144 GLY CA C 13 47.243 1 . 1 . . . . 144 GLY CA . 11434 1 668 . 1 1 144 144 GLY N N 15 111.682 0.030 . 1 . . . . 144 GLY N . 11434 1 669 . 1 1 145 145 ILE H H 1 8.115 1 . 1 . . . . 145 ILE H . 11434 1 670 . 1 1 145 145 ILE C C 13 174.650 0.000 . 1 . . . . 145 ILE C . 11434 1 671 . 1 1 145 145 ILE CA C 13 66.127 1 . 1 . . . . 145 ILE CA . 11434 1 672 . 1 1 145 145 ILE CB C 13 38.154 1 . 1 . . . . 145 ILE CB . 11434 1 673 . 1 1 145 145 ILE N N 15 120.650 0.033 . 1 . . . . 145 ILE N . 11434 1 674 . 1 1 146 146 SER H H 1 8.215 1 . 1 . . . . 146 SER H . 11434 1 675 . 1 1 146 146 SER C C 13 176.308 0.000 . 1 . . . . 146 SER C . 11434 1 676 . 1 1 146 146 SER CA C 13 63.957 1 . 1 . . . . 146 SER CA . 11434 1 677 . 1 1 146 146 SER CB C 13 64.646 1 . 1 . . . . 146 SER CB . 11434 1 678 . 1 1 146 146 SER N N 15 114.307 0.034 . 1 . . . . 146 SER N . 11434 1 679 . 1 1 147 147 ALA H H 1 8.598 1 . 1 . . . . 147 ALA H . 11434 1 680 . 1 1 147 147 ALA C C 13 176.160 0.000 . 1 . . . . 147 ALA C . 11434 1 681 . 1 1 147 147 ALA CA C 13 53.085 1 . 1 . . . . 147 ALA CA . 11434 1 682 . 1 1 147 147 ALA CB C 13 18.744 1 . 1 . . . . 147 ALA CB . 11434 1 683 . 1 1 147 147 ALA N N 15 119.398 0.044 . 1 . . . . 147 ALA N . 11434 1 684 . 1 1 148 148 TYR H H 1 8.122 1 . 1 . . . . 148 TYR H . 11434 1 685 . 1 1 148 148 TYR C C 13 173.154 0.000 . 1 . . . . 148 TYR C . 11434 1 686 . 1 1 148 148 TYR CA C 13 62.553 1 . 1 . . . . 148 TYR CA . 11434 1 687 . 1 1 148 148 TYR CB C 13 38.917 1 . 1 . . . . 148 TYR CB . 11434 1 688 . 1 1 148 148 TYR N N 15 122.549 0.051 . 1 . . . . 148 TYR N . 11434 1 689 . 1 1 149 149 ASN H H 1 6.773 1 . 1 . . . . 149 ASN H . 11434 1 690 . 1 1 149 149 ASN C C 13 173.433 0.000 . 1 . . . . 149 ASN C . 11434 1 691 . 1 1 149 149 ASN CA C 13 56.038 1 . 1 . . . . 149 ASN CA . 11434 1 692 . 1 1 149 149 ASN CB C 13 41.383 1 . 1 . . . . 149 ASN CB . 11434 1 693 . 1 1 149 149 ASN N N 15 113.130 0.020 . 1 . . . . 149 ASN N . 11434 1 694 . 1 1 150 150 ALA H H 1 7.357 1 . 1 . . . . 150 ALA H . 11434 1 695 . 1 1 150 150 ALA C C 13 174.750 0.000 . 1 . . . . 150 ALA C . 11434 1 696 . 1 1 150 150 ALA CA C 13 52.503 1 . 1 . . . . 150 ALA CA . 11434 1 697 . 1 1 150 150 ALA CB C 13 22.247 1 . 1 . . . . 150 ALA CB . 11434 1 698 . 1 1 150 150 ALA N N 15 118.196 0.034 . 1 . . . . 150 ALA N . 11434 1 699 . 1 1 151 151 GLY H H 1 8.787 1 . 1 . . . . 151 GLY H . 11434 1 700 . 1 1 151 151 GLY CA C 13 43.775 1 . 1 . . . . 151 GLY CA . 11434 1 701 . 1 1 151 151 GLY N N 15 110.325 0.054 . 1 . . . . 151 GLY N . 11434 1 702 . 1 1 152 152 PRO CA C 13 65.335 1 . 1 . . . . 152 PRO CA . 11434 1 703 . 1 1 152 152 PRO CB C 13 31.179 1 . 1 . . . . 152 PRO CB . 11434 1 704 . 1 1 153 153 GLY H H 1 8.630 1 . 1 . . . . 153 GLY H . 11434 1 705 . 1 1 153 153 GLY C C 13 172.014 0.000 . 1 . . . . 153 GLY C . 11434 1 706 . 1 1 153 153 GLY CA C 13 46.239 1 . 1 . . . . 153 GLY CA . 11434 1 707 . 1 1 153 153 GLY N N 15 105.916 0.036 . 1 . . . . 153 GLY N . 11434 1 708 . 1 1 154 154 ASN H H 1 7.430 1 . 1 . . . . 154 ASN H . 11434 1 709 . 1 1 154 154 ASN N N 15 116.683 0.036 . 1 . . . . 154 ASN N . 11434 1 710 . 1 1 156 156 ARG H H 1 8.571 1 . 1 . . . . 156 ARG H . 11434 1 711 . 1 1 156 156 ARG C C 13 173.680 0.000 . 1 . . . . 156 ARG C . 11434 1 712 . 1 1 156 156 ARG CA C 13 56.672 1 . 1 . . . . 156 ARG CA . 11434 1 713 . 1 1 156 156 ARG CB C 13 31.873 1 . 1 . . . . 156 ARG CB . 11434 1 714 . 1 1 156 156 ARG N N 15 126.215 0.032 . 1 . . . . 156 ARG N . 11434 1 715 . 1 1 157 157 SER H H 1 7.917 1 . 1 . . . . 157 SER H . 11434 1 716 . 1 1 157 157 SER CA C 13 56.677 1 . 1 . . . . 157 SER CA . 11434 1 717 . 1 1 157 157 SER CB C 13 65.072 1 . 1 . . . . 157 SER CB . 11434 1 718 . 1 1 157 157 SER N N 15 112.287 0.017 . 1 . . . . 157 SER N . 11434 1 719 . 1 1 163 163 ILE H H 1 7.883 1 . 1 . . . . 163 ILE H . 11434 1 720 . 1 1 163 163 ILE C C 13 175.075 0.000 . 1 . . . . 163 ILE C . 11434 1 721 . 1 1 163 163 ILE CA C 13 62.422 1 . 1 . . . . 163 ILE CA . 11434 1 722 . 1 1 163 163 ILE CB C 13 34.743 1 . 1 . . . . 163 ILE CB . 11434 1 723 . 1 1 163 163 ILE N N 15 125.601 0.047 . 1 . . . . 163 ILE N . 11434 1 724 . 1 1 164 164 GLY H H 1 9.555 1 . 1 . . . . 164 GLY H . 11434 1 725 . 1 1 164 164 GLY C C 13 174.061 0.000 . 1 . . . . 164 GLY C . 11434 1 726 . 1 1 164 164 GLY CA C 13 45.394 1 . 1 . . . . 164 GLY CA . 11434 1 727 . 1 1 164 164 GLY N N 15 118.772 0.023 . 1 . . . . 164 GLY N . 11434 1 728 . 1 1 165 165 THR H H 1 7.997 1 . 1 . . . . 165 THR H . 11434 1 729 . 1 1 165 165 THR C C 13 174.190 0.000 . 1 . . . . 165 THR C . 11434 1 730 . 1 1 165 165 THR CA C 13 61.477 1 . 1 . . . . 165 THR CA . 11434 1 731 . 1 1 165 165 THR CB C 13 71.691 1 . 1 . . . . 165 THR CB . 11434 1 732 . 1 1 165 165 THR N N 15 111.451 0.029 . 1 . . . . 165 THR N . 11434 1 733 . 1 1 166 166 THR H H 1 8.762 1 . 1 . . . . 166 THR H . 11434 1 734 . 1 1 166 166 THR C C 13 172.239 0.000 . 1 . . . . 166 THR C . 11434 1 735 . 1 1 166 166 THR CA C 13 65.547 1 . 1 . . . . 166 THR CA . 11434 1 736 . 1 1 166 166 THR CB C 13 68.963 1 . 1 . . . . 166 THR CB . 11434 1 737 . 1 1 166 166 THR N N 15 121.902 0.035 . 1 . . . . 166 THR N . 11434 1 738 . 1 1 167 167 HIS H H 1 8.952 1 . 1 . . . . 167 HIS H . 11434 1 739 . 1 1 167 167 HIS C C 13 169.635 0.000 . 1 . . . . 167 HIS C . 11434 1 740 . 1 1 167 167 HIS CA C 13 55.395 1 . 1 . . . . 167 HIS CA . 11434 1 741 . 1 1 167 167 HIS CB C 13 26.605 1 . 1 . . . . 167 HIS CB . 11434 1 742 . 1 1 167 167 HIS N N 15 117.338 0.025 . 1 . . . . 167 HIS N . 11434 1 743 . 1 1 168 168 ASP H H 1 8.980 1 . 1 . . . . 168 ASP H . 11434 1 744 . 1 1 168 168 ASP C C 13 174.345 0.000 . 1 . . . . 168 ASP C . 11434 1 745 . 1 1 168 168 ASP CA C 13 55.672 1 . 1 . . . . 168 ASP CA . 11434 1 746 . 1 1 168 168 ASP CB C 13 39.894 1 . 1 . . . . 168 ASP CB . 11434 1 747 . 1 1 168 168 ASP N N 15 115.451 0.029 . 1 . . . . 168 ASP N . 11434 1 748 . 1 1 169 169 ASP H H 1 7.486 1 . 1 . . . . 169 ASP H . 11434 1 749 . 1 1 169 169 ASP C C 13 174.761 0.000 . 1 . . . . 169 ASP C . 11434 1 750 . 1 1 169 169 ASP CA C 13 54.447 1 . 1 . . . . 169 ASP CA . 11434 1 751 . 1 1 169 169 ASP CB C 13 42.160 1 . 1 . . . . 169 ASP CB . 11434 1 752 . 1 1 169 169 ASP N N 15 117.594 0.033 . 1 . . . . 169 ASP N . 11434 1 753 . 1 1 171 171 ALA H H 1 10.575 1 . 1 . . . . 171 ALA H . 11434 1 754 . 1 1 171 171 ALA C C 13 178.427 0.000 . 1 . . . . 171 ALA C . 11434 1 755 . 1 1 171 171 ALA CA C 13 55.556 1 . 1 . . . . 171 ALA CA . 11434 1 756 . 1 1 171 171 ALA CB C 13 20.369 1 . 1 . . . . 171 ALA CB . 11434 1 757 . 1 1 171 171 ALA N N 15 121.543 0.033 . 1 . . . . 171 ALA N . 11434 1 758 . 1 1 172 172 ASN H H 1 10.464 1 . 1 . . . . 172 ASN H . 11434 1 759 . 1 1 172 172 ASN C C 13 176.499 0.000 . 1 . . . . 172 ASN C . 11434 1 760 . 1 1 172 172 ASN CA C 13 59.061 1 . 1 . . . . 172 ASN CA . 11434 1 761 . 1 1 172 172 ASN CB C 13 40.068 1 . 1 . . . . 172 ASN CB . 11434 1 762 . 1 1 172 172 ASN N N 15 119.953 0.034 . 1 . . . . 172 ASN N . 11434 1 763 . 1 1 173 173 ASP H H 1 8.960 1 . 1 . . . . 173 ASP H . 11434 1 764 . 1 1 173 173 ASP C C 13 174.353 0.000 . 1 . . . . 173 ASP C . 11434 1 765 . 1 1 173 173 ASP CA C 13 57.198 1 . 1 . . . . 173 ASP CA . 11434 1 766 . 1 1 173 173 ASP CB C 13 40.311 1 . 1 . . . . 173 ASP CB . 11434 1 767 . 1 1 173 173 ASP N N 15 121.970 0.062 . 1 . . . . 173 ASP N . 11434 1 768 . 1 1 174 174 VAL H H 1 8.683 1 . 1 . . . . 174 VAL H . 11434 1 769 . 1 1 174 174 VAL C C 13 175.866 0.000 . 1 . . . . 174 VAL C . 11434 1 770 . 1 1 174 174 VAL CA C 13 68.668 1 . 1 . . . . 174 VAL CA . 11434 1 771 . 1 1 174 174 VAL CB C 13 30.769 1 . 1 . . . . 174 VAL CB . 11434 1 772 . 1 1 174 174 VAL N N 15 118.964 0.038 . 1 . . . . 174 VAL N . 11434 1 773 . 1 1 175 175 VAL H H 1 9.229 1 . 1 . . . . 175 VAL H . 11434 1 774 . 1 1 175 175 VAL C C 13 174.571 0.000 . 1 . . . . 175 VAL C . 11434 1 775 . 1 1 175 175 VAL CA C 13 67.465 1 . 1 . . . . 175 VAL CA . 11434 1 776 . 1 1 175 175 VAL CB C 13 31.488 1 . 1 . . . . 175 VAL CB . 11434 1 777 . 1 1 175 175 VAL N N 15 117.566 0.040 . 1 . . . . 175 VAL N . 11434 1 778 . 1 1 176 176 ALA H H 1 7.454 1 . 1 . . . . 176 ALA H . 11434 1 779 . 1 1 176 176 ALA C C 13 178.497 0.000 . 1 . . . . 176 ALA C . 11434 1 780 . 1 1 176 176 ALA CA C 13 55.473 1 . 1 . . . . 176 ALA CA . 11434 1 781 . 1 1 176 176 ALA CB C 13 18.466 1 . 1 . . . . 176 ALA CB . 11434 1 782 . 1 1 176 176 ALA N N 15 121.214 0.041 . 1 . . . . 176 ALA N . 11434 1 783 . 1 1 177 177 ARG H H 1 8.696 1 . 1 . . . . 177 ARG H . 11434 1 784 . 1 1 177 177 ARG C C 13 174.591 0.000 . 1 . . . . 177 ARG C . 11434 1 785 . 1 1 177 177 ARG CA C 13 60.235 1 . 1 . . . . 177 ARG CA . 11434 1 786 . 1 1 177 177 ARG CB C 13 30.191 1 . 1 . . . . 177 ARG CB . 11434 1 787 . 1 1 177 177 ARG N N 15 117.871 0.026 . 1 . . . . 177 ARG N . 11434 1 788 . 1 1 178 178 ALA H H 1 9.378 1 . 1 . . . . 178 ALA H . 11434 1 789 . 1 1 178 178 ALA C C 13 177.073 0.000 . 1 . . . . 178 ALA C . 11434 1 790 . 1 1 178 178 ALA CA C 13 55.070 1 . 1 . . . . 178 ALA CA . 11434 1 791 . 1 1 178 178 ALA CB C 13 20.232 1 . 1 . . . . 178 ALA CB . 11434 1 792 . 1 1 178 178 ALA N N 15 121.630 0.038 . 1 . . . . 178 ALA N . 11434 1 793 . 1 1 179 179 GLN H H 1 8.513 1 . 1 . . . . 179 GLN H . 11434 1 794 . 1 1 179 179 GLN C C 13 176.340 0.000 . 1 . . . . 179 GLN C . 11434 1 795 . 1 1 179 179 GLN CA C 13 59.358 1 . 1 . . . . 179 GLN CA . 11434 1 796 . 1 1 179 179 GLN CB C 13 27.283 1 . 1 . . . . 179 GLN CB . 11434 1 797 . 1 1 179 179 GLN N N 15 112.657 0.059 . 1 . . . . 179 GLN N . 11434 1 798 . 1 1 180 180 TYR H H 1 7.357 1 . 1 . . . . 180 TYR H . 11434 1 799 . 1 1 180 180 TYR C C 13 176.459 0.000 . 1 . . . . 180 TYR C . 11434 1 800 . 1 1 180 180 TYR CA C 13 62.589 1 . 1 . . . . 180 TYR CA . 11434 1 801 . 1 1 180 180 TYR CB C 13 37.283 1 . 1 . . . . 180 TYR CB . 11434 1 802 . 1 1 180 180 TYR N N 15 119.972 0.049 . 1 . . . . 180 TYR N . 11434 1 803 . 1 1 181 181 TYR H H 1 8.489 1 . 1 . . . . 181 TYR H . 11434 1 804 . 1 1 181 181 TYR C C 13 176.107 0.000 . 1 . . . . 181 TYR C . 11434 1 805 . 1 1 181 181 TYR CA C 13 63.701 1 . 1 . . . . 181 TYR CA . 11434 1 806 . 1 1 181 181 TYR CB C 13 35.297 1 . 1 . . . . 181 TYR CB . 11434 1 807 . 1 1 181 181 TYR N N 15 121.840 0.039 . 1 . . . . 181 TYR N . 11434 1 808 . 1 1 182 182 LYS H H 1 8.849 1 . 1 . . . . 182 LYS H . 11434 1 809 . 1 1 182 182 LYS C C 13 175.941 0.000 . 1 . . . . 182 LYS C . 11434 1 810 . 1 1 182 182 LYS CA C 13 58.184 1 . 1 . . . . 182 LYS CA . 11434 1 811 . 1 1 182 182 LYS CB C 13 31.673 1 . 1 . . . . 182 LYS CB . 11434 1 812 . 1 1 182 182 LYS N N 15 123.591 0.052 . 1 . . . . 182 LYS N . 11434 1 813 . 1 1 183 183 GLN H H 1 7.331 1 . 1 . . . . 183 GLN H . 11434 1 814 . 1 1 183 183 GLN C C 13 173.218 0.000 . 1 . . . . 183 GLN C . 11434 1 815 . 1 1 183 183 GLN CA C 13 56.055 1 . 1 . . . . 183 GLN CA . 11434 1 816 . 1 1 183 183 GLN CB C 13 28.818 1 . 1 . . . . 183 GLN CB . 11434 1 817 . 1 1 183 183 GLN N N 15 115.863 0.031 . 1 . . . . 183 GLN N . 11434 1 818 . 1 1 184 184 HIS H H 1 7.864 1 . 1 . . . . 184 HIS H . 11434 1 819 . 1 1 184 184 HIS C C 13 171.764 0.000 . 1 . . . . 184 HIS C . 11434 1 820 . 1 1 184 184 HIS CA C 13 55.938 1 . 1 . . . . 184 HIS CA . 11434 1 821 . 1 1 184 184 HIS CB C 13 28.714 1 . 1 . . . . 184 HIS CB . 11434 1 822 . 1 1 184 184 HIS N N 15 117.400 0.031 . 1 . . . . 184 HIS N . 11434 1 823 . 1 1 185 185 GLY H H 1 7.959 1 . 1 . . . . 185 GLY H . 11434 1 824 . 1 1 185 185 GLY C C 13 171.476 0.000 . 1 . . . . 185 GLY C . 11434 1 825 . 1 1 185 185 GLY CA C 13 46.577 1 . 1 . . . . 185 GLY CA . 11434 1 826 . 1 1 185 185 GLY N N 15 105.023 0.055 . 1 . . . . 185 GLY N . 11434 1 827 . 1 1 186 186 TYR H H 1 7.775 1 . 1 . . . . 186 TYR H . 11434 1 828 . 1 1 186 186 TYR CA C 13 61.652 1 . 1 . . . . 186 TYR CA . 11434 1 829 . 1 1 186 186 TYR CB C 13 38.576 1 . 1 . . . . 186 TYR CB . 11434 1 830 . 1 1 186 186 TYR N N 15 124.837 0.034 . 1 . . . . 186 TYR N . 11434 1 stop_ save_