data_11436 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11436 _Entry.Title ; NMR Chemical Shift Assignments for E73A mutant of Ostrich egg white Lysozyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-18 _Entry.Accession_date 2011-03-18 _Entry.Last_release_date . _Entry.Original_release_date . _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 Shoko Shinya . . . 11436 2 Takayuki Ohnuma . . . 11436 3 Shunsuke Kawamura . . . 11436 4 Shigenori Nishimura . . . 11436 5 Tamo Fukamizo . . . 11436 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11436 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 11436 '15N chemical shifts' 174 11436 '1H chemical shifts' 174 11436 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 2 . . 2012-02-08 2011-03-17 update BMRB 'update entry citation' 11436 1 . . 2011-09-01 2011-03-17 original author 'original release' 11436 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11436 _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 . . . 11436 1 2 Takayuki Ohnuma . . . 11436 1 3 Shunsuke Kawamura . . . 11436 1 4 Takao Torikata . . . 11436 1 5 Shigenori Nishimura . . . 11436 1 6 Etsuko Katoh . . . 11436 1 7 Tamo Fukamizo . . . 11436 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11436 _Assembly.ID 1 _Assembly.Name 'E73A mutant of Ostrich egg white lysozyme' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'E73A mutant ofOstrich egg white lysozyme' 1 $E73A-OEL A . no native no no . . . 11436 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E73A-OEL _Entity.Sf_category entity _Entity.Sf_framecode E73A-OEL _Entity.Entry_ID 11436 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E73A-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 CVDPAVIAGIISRASHAGKA 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 11434 . OEL . . . . . 99.47 187 99.46 99.46 4.68e-134 . . . . 11436 1 2 no PDB 3WYH . "Structure Of Disulfide Bond Deletion Mutant Of Ostrich Egg White Lysozyme" . . . . . 98.93 185 97.30 97.30 9.98e-130 . . . . 11436 1 3 no DBJ BAL03620 . "lysozyme g [Struthio camelus]" . . . . . 99.47 204 99.46 99.46 2.72e-134 . . . . 11436 1 4 no GB KFV76629 . "Lysozyme g, partial [Struthio camelus australis]" . . . . . 99.47 209 99.46 99.46 2.85e-134 . . . . 11436 1 5 no REF XP_009664638 . "PREDICTED: lysozyme g [Struthio camelus australis]" . . . . . 99.47 204 99.46 99.46 2.72e-134 . . . . 11436 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 99.46 99.46 2.72e-134 . . . . 11436 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 . 11436 1 2 . ARG . 11436 1 3 . THR . 11436 1 4 . GLY . 11436 1 5 . CYS . 11436 1 6 . TYR . 11436 1 7 . GLY . 11436 1 8 . ASP . 11436 1 9 . VAL . 11436 1 10 . ASN . 11436 1 11 . ARG . 11436 1 12 . VAL . 11436 1 13 . ASP . 11436 1 14 . THR . 11436 1 15 . THR . 11436 1 16 . GLY . 11436 1 17 . ALA . 11436 1 18 . SER . 11436 1 19 . CYS . 11436 1 20 . LYS . 11436 1 21 . SER . 11436 1 22 . ALA . 11436 1 23 . LYS . 11436 1 24 . PRO . 11436 1 25 . GLU . 11436 1 26 . LYS . 11436 1 27 . LEU . 11436 1 28 . ASN . 11436 1 29 . TYR . 11436 1 30 . CYS . 11436 1 31 . GLY . 11436 1 32 . VAL . 11436 1 33 . ALA . 11436 1 34 . ALA . 11436 1 35 . SER . 11436 1 36 . ARG . 11436 1 37 . LYS . 11436 1 38 . ILE . 11436 1 39 . ALA . 11436 1 40 . GLU . 11436 1 41 . ARG . 11436 1 42 . ASP . 11436 1 43 . LEU . 11436 1 44 . GLN . 11436 1 45 . SER . 11436 1 46 . MET . 11436 1 47 . ASP . 11436 1 48 . ARG . 11436 1 49 . TYR . 11436 1 50 . LYS . 11436 1 51 . ALA . 11436 1 52 . LEU . 11436 1 53 . ILE . 11436 1 54 . LYS . 11436 1 55 . LYS . 11436 1 56 . VAL . 11436 1 57 . GLY . 11436 1 58 . GLN . 11436 1 59 . LYS . 11436 1 60 . LEU . 11436 1 61 . CYS . 11436 1 62 . VAL . 11436 1 63 . ASP . 11436 1 64 . PRO . 11436 1 65 . ALA . 11436 1 66 . VAL . 11436 1 67 . ILE . 11436 1 68 . ALA . 11436 1 69 . GLY . 11436 1 70 . ILE . 11436 1 71 . ILE . 11436 1 72 . SER . 11436 1 73 . ARG . 11436 1 74 . ALA . 11436 1 75 . SER . 11436 1 76 . HIS . 11436 1 77 . ALA . 11436 1 78 . GLY . 11436 1 79 . LYS . 11436 1 80 . ALA . 11436 1 81 . LEU . 11436 1 82 . ARG . 11436 1 83 . ASN . 11436 1 84 . GLY . 11436 1 85 . TRP . 11436 1 86 . GLY . 11436 1 87 . ASP . 11436 1 88 . ASN . 11436 1 89 . GLY . 11436 1 90 . ASN . 11436 1 91 . GLY . 11436 1 92 . PHE . 11436 1 93 . GLY . 11436 1 94 . LEU . 11436 1 95 . MET . 11436 1 96 . GLN . 11436 1 97 . VAL . 11436 1 98 . ASP . 11436 1 99 . ARG . 11436 1 100 . ARG . 11436 1 101 . SER . 11436 1 102 . HIS . 11436 1 103 . LYS . 11436 1 104 . PRO . 11436 1 105 . VAL . 11436 1 106 . GLY . 11436 1 107 . GLU . 11436 1 108 . TRP . 11436 1 109 . ASN . 11436 1 110 . GLY . 11436 1 111 . GLU . 11436 1 112 . ARG . 11436 1 113 . HIS . 11436 1 114 . LEU . 11436 1 115 . MET . 11436 1 116 . GLN . 11436 1 117 . GLY . 11436 1 118 . THR . 11436 1 119 . GLU . 11436 1 120 . ILE . 11436 1 121 . LEU . 11436 1 122 . ILE . 11436 1 123 . SER . 11436 1 124 . MET . 11436 1 125 . ILE . 11436 1 126 . LYS . 11436 1 127 . ALA . 11436 1 128 . ILE . 11436 1 129 . GLN . 11436 1 130 . LYS . 11436 1 131 . LYS . 11436 1 132 . PHE . 11436 1 133 . PRO . 11436 1 134 . ARG . 11436 1 135 . TRP . 11436 1 136 . THR . 11436 1 137 . LYS . 11436 1 138 . GLU . 11436 1 139 . GLN . 11436 1 140 . GLN . 11436 1 141 . LEU . 11436 1 142 . LYS . 11436 1 143 . GLY . 11436 1 144 . GLY . 11436 1 145 . ILE . 11436 1 146 . SER . 11436 1 147 . ALA . 11436 1 148 . TYR . 11436 1 149 . ASN . 11436 1 150 . ALA . 11436 1 151 . GLY . 11436 1 152 . PRO . 11436 1 153 . GLY . 11436 1 154 . ASN . 11436 1 155 . VAL . 11436 1 156 . ARG . 11436 1 157 . SER . 11436 1 158 . TYR . 11436 1 159 . GLU . 11436 1 160 . ARG . 11436 1 161 . MET . 11436 1 162 . ASP . 11436 1 163 . ILE . 11436 1 164 . GLY . 11436 1 165 . THR . 11436 1 166 . THR . 11436 1 167 . HIS . 11436 1 168 . ASP . 11436 1 169 . ASP . 11436 1 170 . TYR . 11436 1 171 . ALA . 11436 1 172 . ASN . 11436 1 173 . ASP . 11436 1 174 . VAL . 11436 1 175 . VAL . 11436 1 176 . ALA . 11436 1 177 . ARG . 11436 1 178 . ALA . 11436 1 179 . GLN . 11436 1 180 . TYR . 11436 1 181 . TYR . 11436 1 182 . LYS . 11436 1 183 . GLN . 11436 1 184 . HIS . 11436 1 185 . GLY . 11436 1 186 . TYR . 11436 1 187 . 205 . 11436 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 11436 1 . ARG 2 2 11436 1 . THR 3 3 11436 1 . GLY 4 4 11436 1 . CYS 5 5 11436 1 . TYR 6 6 11436 1 . GLY 7 7 11436 1 . ASP 8 8 11436 1 . VAL 9 9 11436 1 . ASN 10 10 11436 1 . ARG 11 11 11436 1 . VAL 12 12 11436 1 . ASP 13 13 11436 1 . THR 14 14 11436 1 . THR 15 15 11436 1 . GLY 16 16 11436 1 . ALA 17 17 11436 1 . SER 18 18 11436 1 . CYS 19 19 11436 1 . LYS 20 20 11436 1 . SER 21 21 11436 1 . ALA 22 22 11436 1 . LYS 23 23 11436 1 . PRO 24 24 11436 1 . GLU 25 25 11436 1 . LYS 26 26 11436 1 . LEU 27 27 11436 1 . ASN 28 28 11436 1 . TYR 29 29 11436 1 . CYS 30 30 11436 1 . GLY 31 31 11436 1 . VAL 32 32 11436 1 . ALA 33 33 11436 1 . ALA 34 34 11436 1 . SER 35 35 11436 1 . ARG 36 36 11436 1 . LYS 37 37 11436 1 . ILE 38 38 11436 1 . ALA 39 39 11436 1 . GLU 40 40 11436 1 . ARG 41 41 11436 1 . ASP 42 42 11436 1 . LEU 43 43 11436 1 . GLN 44 44 11436 1 . SER 45 45 11436 1 . MET 46 46 11436 1 . ASP 47 47 11436 1 . ARG 48 48 11436 1 . TYR 49 49 11436 1 . LYS 50 50 11436 1 . ALA 51 51 11436 1 . LEU 52 52 11436 1 . ILE 53 53 11436 1 . LYS 54 54 11436 1 . LYS 55 55 11436 1 . VAL 56 56 11436 1 . GLY 57 57 11436 1 . GLN 58 58 11436 1 . LYS 59 59 11436 1 . LEU 60 60 11436 1 . CYS 61 61 11436 1 . VAL 62 62 11436 1 . ASP 63 63 11436 1 . PRO 64 64 11436 1 . ALA 65 65 11436 1 . VAL 66 66 11436 1 . ILE 67 67 11436 1 . ALA 68 68 11436 1 . GLY 69 69 11436 1 . ILE 70 70 11436 1 . ILE 71 71 11436 1 . SER 72 72 11436 1 . ARG 73 73 11436 1 . ALA 74 74 11436 1 . SER 75 75 11436 1 . HIS 76 76 11436 1 . ALA 77 77 11436 1 . GLY 78 78 11436 1 . LYS 79 79 11436 1 . ALA 80 80 11436 1 . LEU 81 81 11436 1 . ARG 82 82 11436 1 . ASN 83 83 11436 1 . GLY 84 84 11436 1 . TRP 85 85 11436 1 . GLY 86 86 11436 1 . ASP 87 87 11436 1 . ASN 88 88 11436 1 . GLY 89 89 11436 1 . ASN 90 90 11436 1 . GLY 91 91 11436 1 . PHE 92 92 11436 1 . GLY 93 93 11436 1 . LEU 94 94 11436 1 . MET 95 95 11436 1 . GLN 96 96 11436 1 . VAL 97 97 11436 1 . ASP 98 98 11436 1 . ARG 99 99 11436 1 . ARG 100 100 11436 1 . SER 101 101 11436 1 . HIS 102 102 11436 1 . LYS 103 103 11436 1 . PRO 104 104 11436 1 . VAL 105 105 11436 1 . GLY 106 106 11436 1 . GLU 107 107 11436 1 . TRP 108 108 11436 1 . ASN 109 109 11436 1 . GLY 110 110 11436 1 . GLU 111 111 11436 1 . ARG 112 112 11436 1 . HIS 113 113 11436 1 . LEU 114 114 11436 1 . MET 115 115 11436 1 . GLN 116 116 11436 1 . GLY 117 117 11436 1 . THR 118 118 11436 1 . GLU 119 119 11436 1 . ILE 120 120 11436 1 . LEU 121 121 11436 1 . ILE 122 122 11436 1 . SER 123 123 11436 1 . MET 124 124 11436 1 . ILE 125 125 11436 1 . LYS 126 126 11436 1 . ALA 127 127 11436 1 . ILE 128 128 11436 1 . GLN 129 129 11436 1 . LYS 130 130 11436 1 . LYS 131 131 11436 1 . PHE 132 132 11436 1 . PRO 133 133 11436 1 . ARG 134 134 11436 1 . TRP 135 135 11436 1 . THR 136 136 11436 1 . LYS 137 137 11436 1 . GLU 138 138 11436 1 . GLN 139 139 11436 1 . GLN 140 140 11436 1 . LEU 141 141 11436 1 . LYS 142 142 11436 1 . GLY 143 143 11436 1 . GLY 144 144 11436 1 . ILE 145 145 11436 1 . SER 146 146 11436 1 . ALA 147 147 11436 1 . TYR 148 148 11436 1 . ASN 149 149 11436 1 . ALA 150 150 11436 1 . GLY 151 151 11436 1 . PRO 152 152 11436 1 . GLY 153 153 11436 1 . ASN 154 154 11436 1 . VAL 155 155 11436 1 . ARG 156 156 11436 1 . SER 157 157 11436 1 . TYR 158 158 11436 1 . GLU 159 159 11436 1 . ARG 160 160 11436 1 . MET 161 161 11436 1 . ASP 162 162 11436 1 . ILE 163 163 11436 1 . GLY 164 164 11436 1 . THR 165 165 11436 1 . THR 166 166 11436 1 . HIS 167 167 11436 1 . ASP 168 168 11436 1 . ASP 169 169 11436 1 . TYR 170 170 11436 1 . ALA 171 171 11436 1 . ASN 172 172 11436 1 . ASP 173 173 11436 1 . VAL 174 174 11436 1 . VAL 175 175 11436 1 . ALA 176 176 11436 1 . ARG 177 177 11436 1 . ALA 178 178 11436 1 . GLN 179 179 11436 1 . TYR 180 180 11436 1 . TYR 181 181 11436 1 . LYS 182 182 11436 1 . GLN 183 183 11436 1 . HIS 184 184 11436 1 . GLY 185 185 11436 1 . TYR 186 186 11436 1 . 205 187 187 11436 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 11436 _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 $E73A-OEL . 8801 organism . 'Struthio Linnaeus' Ostrich . . Eukaryota Metazoa Struthio Linnaeus . . . . . . . . . . . . . . . . . . . . . 11436 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 11436 _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 $E73A-OEL . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . . . . . . . pPIC9K . . . . . . 11436 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 11436 _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 11436 _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 E73A-OEL '[U-99% 13C; U-99% 15N]' . . 1 $E73A-OEL . . 0.4 . . mM . . . . 11436 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 11436 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11436 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 11436 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 11436 _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 11436 1 pressure 1 . atm 11436 1 temperature 300 . K 11436 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11436 _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 . . 11436 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11436 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 11436 _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 11436 _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 . . . 11436 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 11436 _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 . . . . . . . . . . . . . . . . 11436 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11436 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11436 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11436 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11436 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11436 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 11436 _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 . . . . . . . . . 11436 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11436 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11436 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 11436 _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' . . . 11436 1 2 '3D HNCO' . . . 11436 1 3 '3D HNCA' . . . 11436 1 4 '3D CBCA(CO)NH' . . . 11436 1 5 '3D HNCACB' . . . 11436 1 6 '3D HCACO' . . . 11436 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 56.711 0 . 1 . . . . 1 S CA . 11436 1 2 . 1 1 1 1 SER CB C 13 65.225 0 . 1 . . . . 1 S CB . 11436 1 3 . 1 1 2 2 ARG H H 1 9.058 0.001 . 1 . . . . 2 R HN . 11436 1 4 . 1 1 2 2 ARG CA C 13 56.669 0 . 1 . . . . 2 R CA . 11436 1 5 . 1 1 2 2 ARG CB C 13 30.415 0 . 1 . . . . 2 R CB . 11436 1 6 . 1 1 2 2 ARG N N 15 121.502 0.072 . 1 . . . . 2 R N . 11436 1 7 . 1 1 3 3 THR H H 1 8.154 0.002 . 1 . . . . 3 T HN . 11436 1 8 . 1 1 3 3 THR CA C 13 62.386 0.02 . 1 . . . . 3 T CA . 11436 1 9 . 1 1 3 3 THR CB C 13 69.723 0.032 . 1 . . . . 3 T CB . 11436 1 10 . 1 1 3 3 THR N N 15 113.228 0.064 . 1 . . . . 3 T N . 11436 1 11 . 1 1 4 4 GLY H H 1 8.193 0.002 . 1 . . . . 4 G HN . 11436 1 12 . 1 1 4 4 GLY CA C 13 45.91 0.013 . 1 . . . . 4 G CA . 11436 1 13 . 1 1 4 4 GLY N N 15 108.837 0.085 . 1 . . . . 4 G N . 11436 1 14 . 1 1 5 5 CYS H H 1 8.412 0.002 . 1 . . . . 5 C HN . 11436 1 15 . 1 1 5 5 CYS CA C 13 62.89 0.058 . 1 . . . . 5 C CA . 11436 1 16 . 1 1 5 5 CYS CB C 13 34.688 0.068 . 1 . . . . 5 C CB . 11436 1 17 . 1 1 5 5 CYS N N 15 117.039 0.069 . 1 . . . . 5 C N . 11436 1 18 . 1 1 6 6 TYR H H 1 8.574 0.001 . 1 . . . . 6 Y HN . 11436 1 19 . 1 1 6 6 TYR CA C 13 57.976 0.006 . 1 . . . . 6 Y CA . 11436 1 20 . 1 1 6 6 TYR CB C 13 39.941 0 . 1 . . . . 6 Y CB . 11436 1 21 . 1 1 6 6 TYR N N 15 117.277 0.01 . 1 . . . . 6 Y N . 11436 1 22 . 1 1 7 7 GLY H H 1 7.907 0.002 . 1 . . . . 7 G HN . 11436 1 23 . 1 1 7 7 GLY CA C 13 43.345 0.05 . 1 . . . . 7 G CA . 11436 1 24 . 1 1 7 7 GLY N N 15 105.467 0.032 . 1 . . . . 7 G N . 11436 1 25 . 1 1 8 8 ASP H H 1 9.667 0.002 . 1 . . . . 8 D HN . 11436 1 26 . 1 1 8 8 ASP CA C 13 51.905 0.069 . 1 . . . . 8 D CA . 11436 1 27 . 1 1 8 8 ASP CB C 13 41.668 0.014 . 1 . . . . 8 D CB . 11436 1 28 . 1 1 8 8 ASP N N 15 119.881 0.016 . 1 . . . . 8 D N . 11436 1 29 . 1 1 9 9 VAL H H 1 9.862 0.001 . 1 . . . . 9 V HN . 11436 1 30 . 1 1 9 9 VAL CA C 13 64.328 0 . 1 . . . . 9 V CA . 11436 1 31 . 1 1 9 9 VAL CB C 13 31.059 0.082 . 1 . . . . 9 V CB . 11436 1 32 . 1 1 9 9 VAL N N 15 126.585 0.021 . 1 . . . . 9 V N . 11436 1 33 . 1 1 10 10 ASN H H 1 8.492 0.004 . 1 . . . . 10 N HN . 11436 1 34 . 1 1 10 10 ASN CA C 13 54.671 0.007 . 1 . . . . 10 N CA . 11436 1 35 . 1 1 10 10 ASN CB C 13 37.888 0.04 . 1 . . . . 10 N CB . 11436 1 36 . 1 1 10 10 ASN N N 15 119.296 0.065 . 1 . . . . 10 N N . 11436 1 37 . 1 1 11 11 ARG H H 1 8.051 0.001 . 1 . . . . 11 R HN . 11436 1 38 . 1 1 11 11 ARG CA C 13 54.92 0.084 . 1 . . . . 11 R CA . 11436 1 39 . 1 1 11 11 ARG CB C 13 30.694 0.016 . 1 . . . . 11 R CB . 11436 1 40 . 1 1 11 11 ARG N N 15 117.76 0.059 . 1 . . . . 11 R N . 11436 1 41 . 1 1 12 12 VAL H H 1 6.864 0.001 . 1 . . . . 12 V HN . 11436 1 42 . 1 1 12 12 VAL CA C 13 61.851 0.022 . 1 . . . . 12 V CA . 11436 1 43 . 1 1 12 12 VAL CB C 13 32.158 0.093 . 1 . . . . 12 V CB . 11436 1 44 . 1 1 12 12 VAL N N 15 121.743 0.039 . 1 . . . . 12 V N . 11436 1 45 . 1 1 13 13 ASP H H 1 8.278 0.001 . 1 . . . . 13 D HN . 11436 1 46 . 1 1 13 13 ASP CA C 13 53.464 0.08 . 1 . . . . 13 D CA . 11436 1 47 . 1 1 13 13 ASP CB C 13 41.343 0.015 . 1 . . . . 13 D CB . 11436 1 48 . 1 1 13 13 ASP N N 15 125.319 0.03 . 1 . . . . 13 D N . 11436 1 49 . 1 1 14 14 THR H H 1 8.463 0.003 . 1 . . . . 14 T HN . 11436 1 50 . 1 1 14 14 THR CA C 13 58.721 0.038 . 1 . . . . 14 T CA . 11436 1 51 . 1 1 14 14 THR CB C 13 68.888 0.064 . 1 . . . . 14 T CB . 11436 1 52 . 1 1 14 14 THR N N 15 115.894 0.054 . 1 . . . . 14 T N . 11436 1 53 . 1 1 15 15 THR H H 1 8.23 0.001 . 1 . . . . 15 T HN . 11436 1 54 . 1 1 15 15 THR CA C 13 61.297 0.071 . 1 . . . . 15 T CA . 11436 1 55 . 1 1 15 15 THR CB C 13 68.686 0.032 . 1 . . . . 15 T CB . 11436 1 56 . 1 1 15 15 THR N N 15 116.361 0.081 . 1 . . . . 15 T N . 11436 1 57 . 1 1 16 16 GLY H H 1 9.178 0.002 . 1 . . . . 16 G HN . 11436 1 58 . 1 1 16 16 GLY CA C 13 44.602 0.078 . 1 . . . . 16 G CA . 11436 1 59 . 1 1 16 16 GLY N N 15 110.271 0.035 . 1 . . . . 16 G N . 11436 1 60 . 1 1 17 17 ALA H H 1 6.821 0.001 . 1 . . . . 17 A HN . 11436 1 61 . 1 1 17 17 ALA CA C 13 51.731 0 . 1 . . . . 17 A CA . 11436 1 62 . 1 1 17 17 ALA CB C 13 18.288 0 . 1 . . . . 17 A CB . 11436 1 63 . 1 1 17 17 ALA N N 15 123.348 0.046 . 1 . . . . 17 A N . 11436 1 64 . 1 1 18 18 SER H H 1 11.206 0 . 1 . . . . 18 S HN . 11436 1 65 . 1 1 18 18 SER CA C 13 57.213 0 . 1 . . . . 18 S CA . 11436 1 66 . 1 1 18 18 SER CB C 13 54.860 0 . 1 . . . . 18 S CB . 11436 1 67 . 1 1 18 18 SER N N 15 121.624 0 . 1 . . . . 18 S N . 11436 1 68 . 1 1 19 19 CYS H H 1 9.855 0.001 . 1 . . . . 19 C HN . 11436 1 69 . 1 1 19 19 CYS CA C 13 55.991 0 . 1 . . . . 19 C CA . 11436 1 70 . 1 1 19 19 CYS CB C 13 36.897 0 . 1 . . . . 19 C CB . 11436 1 71 . 1 1 19 19 CYS N N 15 120.541 0.04 . 1 . . . . 19 C N . 11436 1 72 . 1 1 20 20 LYS H H 1 7.996 0.002 . 1 . . . . 20 K HN . 11436 1 73 . 1 1 20 20 LYS CA C 13 59.328 0.042 . 1 . . . . 20 K CA . 11436 1 74 . 1 1 20 20 LYS CB C 13 32.132 0.025 . 1 . . . . 20 K CB . 11436 1 75 . 1 1 20 20 LYS N N 15 118.818 0.05 . 1 . . . . 20 K N . 11436 1 76 . 1 1 21 21 SER H H 1 7.232 0.002 . 1 . . . . 21 S HN . 11436 1 77 . 1 1 21 21 SER CA C 13 59.887 0.053 . 1 . . . . 21 S CA . 11436 1 78 . 1 1 21 21 SER CB C 13 62.845 0.05 . 1 . . . . 21 S CB . 11436 1 79 . 1 1 21 21 SER N N 15 112.44 0.084 . 1 . . . . 21 S N . 11436 1 80 . 1 1 22 22 ALA H H 1 7.625 0.001 . 1 . . . . 22 A HN . 11436 1 81 . 1 1 22 22 ALA CA C 13 54.764 0.004 . 1 . . . . 22 A CA . 11436 1 82 . 1 1 22 22 ALA CB C 13 20.727 0.02 . 1 . . . . 22 A CB . 11436 1 83 . 1 1 22 22 ALA N N 15 123.964 0.031 . 1 . . . . 22 A N . 11436 1 84 . 1 1 23 23 LYS H H 1 8.198 0.001 . 1 . . . . 23 K HN . 11436 1 85 . 1 1 23 23 LYS CA C 13 61.486 0 . 1 . . . . 23 K CA . 11436 1 86 . 1 1 23 23 LYS CB C 13 29.849 0 . 1 . . . . 23 K CB . 11436 1 87 . 1 1 23 23 LYS N N 15 118.865 0.043 . 1 . . . . 23 K N . 11436 1 88 . 1 1 24 24 PRO CA C 13 65.546 0.021 . 1 . . . . 24 P CA . 11436 1 89 . 1 1 24 24 PRO CB C 13 30.963 0 . 1 . . . . 24 P CB . 11436 1 90 . 1 1 25 25 GLU H H 1 6.858 0.001 . 1 . . . . 25 E HN . 11436 1 91 . 1 1 25 25 GLU CA C 13 54.32 0.042 . 1 . . . . 25 E CA . 11436 1 92 . 1 1 25 25 GLU CB C 13 27.245 0.025 . 1 . . . . 25 E CB . 11436 1 93 . 1 1 25 25 GLU N N 15 114.31 0.031 . 1 . . . . 25 E N . 11436 1 94 . 1 1 26 26 LYS H H 1 8.188 0.002 . 1 . . . . 26 K HN . 11436 1 95 . 1 1 26 26 LYS CA C 13 56.973 0.048 . 1 . . . . 26 K CA . 11436 1 96 . 1 1 26 26 LYS CB C 13 27.991 0.093 . 1 . . . . 26 K CB . 11436 1 97 . 1 1 26 26 LYS N N 15 112.589 0.041 . 1 . . . . 26 K N . 11436 1 98 . 1 1 27 27 LEU H H 1 6.907 0.001 . 1 . . . . 27 L HN . 11436 1 99 . 1 1 27 27 LEU CA C 13 52.992 0.05 . 1 . . . . 27 L CA . 11436 1 100 . 1 1 27 27 LEU CB C 13 43.894 0.079 . 1 . . . . 27 L CB . 11436 1 101 . 1 1 27 27 LEU N N 15 117.292 0.017 . 1 . . . . 27 L N . 11436 1 102 . 1 1 28 28 ASN H H 1 8.462 0.002 . 1 . . . . 28 N HN . 11436 1 103 . 1 1 28 28 ASN CA C 13 52.064 0.004 . 1 . . . . 28 N CA . 11436 1 104 . 1 1 28 28 ASN CB C 13 37.768 0.012 . 1 . . . . 28 N CB . 11436 1 105 . 1 1 28 28 ASN N N 15 119.418 0.056 . 1 . . . . 28 N N . 11436 1 106 . 1 1 29 29 TYR H H 1 6.62 0.001 . 1 . . . . 29 Y HN . 11436 1 107 . 1 1 29 29 TYR CA C 13 53.994 0.052 . 1 . . . . 29 Y CA . 11436 1 108 . 1 1 29 29 TYR CB C 13 38.952 0.003 . 1 . . . . 29 Y CB . 11436 1 109 . 1 1 29 29 TYR N N 15 114.631 0.057 . 1 . . . . 29 Y N . 11436 1 110 . 1 1 30 30 CYS H H 1 8.639 0.001 . 1 . . . . 30 C HN . 11436 1 111 . 1 1 30 30 CYS CA C 13 52 0.061 . 1 . . . . 30 C CA . 11436 1 112 . 1 1 30 30 CYS CB C 13 43.591 0 . 1 . . . . 30 C CB . 11436 1 113 . 1 1 30 30 CYS N N 15 115.551 0.005 . 1 . . . . 30 C N . 11436 1 114 . 1 1 31 31 GLY H H 1 8.738 0.001 . 1 . . . . 31 G HN . 11436 1 115 . 1 1 31 31 GLY CA C 13 46.032 0.062 . 1 . . . . 31 G CA . 11436 1 116 . 1 1 31 31 GLY N N 15 109.604 0.051 . 1 . . . . 31 G N . 11436 1 117 . 1 1 32 32 VAL H H 1 8.868 0.001 . 1 . . . . 32 V HN . 11436 1 118 . 1 1 32 32 VAL CA C 13 67.539 0.015 . 1 . . . . 32 V CA . 11436 1 119 . 1 1 32 32 VAL CB C 13 31.473 0.046 . 1 . . . . 32 V CB . 11436 1 120 . 1 1 32 32 VAL N N 15 125.371 0.029 . 1 . . . . 32 V N . 11436 1 121 . 1 1 33 33 ALA H H 1 8.97 0.001 . 1 . . . . 33 A HN . 11436 1 122 . 1 1 33 33 ALA CA C 13 55.484 0.05 . 1 . . . . 33 A CA . 11436 1 123 . 1 1 33 33 ALA CB C 13 18.449 0.093 . 1 . . . . 33 A CB . 11436 1 124 . 1 1 33 33 ALA N N 15 119.986 0.031 . 1 . . . . 33 A N . 11436 1 125 . 1 1 34 34 ALA H H 1 6.832 0.001 . 1 . . . . 34 A HN . 11436 1 126 . 1 1 34 34 ALA CA C 13 54.872 0.022 . 1 . . . . 34 A CA . 11436 1 127 . 1 1 34 34 ALA CB C 13 18.273 0.079 . 1 . . . . 34 A CB . 11436 1 128 . 1 1 34 34 ALA N N 15 118.915 0.05 . 1 . . . . 34 A N . 11436 1 129 . 1 1 35 35 SER H H 1 8.22 0.001 . 1 . . . . 35 S HN . 11436 1 130 . 1 1 35 35 SER CA C 13 64.32 0.046 . 1 . . . . 35 S CA . 11436 1 131 . 1 1 35 35 SER N N 15 115.485 0.057 . 1 . . . . 35 S N . 11436 1 132 . 1 1 36 36 ARG H H 1 8.329 0.001 . 1 . . . . 36 R HN . 11436 1 133 . 1 1 36 36 ARG CA C 13 60.118 0.089 . 1 . . . . 36 R CA . 11436 1 134 . 1 1 36 36 ARG CB C 13 30.939 0.021 . 1 . . . . 36 R CB . 11436 1 135 . 1 1 36 36 ARG N N 15 117.905 0.011 . 1 . . . . 36 R N . 11436 1 136 . 1 1 37 37 LYS H H 1 7.637 0.002 . 1 . . . . 37 K HN . 11436 1 137 . 1 1 37 37 LYS CA C 13 56.945 0.009 . 1 . . . . 37 K CA . 11436 1 138 . 1 1 37 37 LYS CB C 13 30.085 0.038 . 1 . . . . 37 K CB . 11436 1 139 . 1 1 37 37 LYS N N 15 121.019 0.05 . 1 . . . . 37 K N . 11436 1 140 . 1 1 38 38 ILE H H 1 8.356 0.002 . 1 . . . . 38 I HN . 11436 1 141 . 1 1 38 38 ILE CA C 13 65.544 0.097 . 1 . . . . 38 I CA . 11436 1 142 . 1 1 38 38 ILE CB C 13 38.055 0.038 . 1 . . . . 38 I CB . 11436 1 143 . 1 1 38 38 ILE N N 15 119.517 0.031 . 1 . . . . 38 I N . 11436 1 144 . 1 1 39 39 ALA H H 1 7.977 0.002 . 1 . . . . 39 A HN . 11436 1 145 . 1 1 39 39 ALA CA C 13 54.105 0.098 . 1 . . . . 39 A CA . 11436 1 146 . 1 1 39 39 ALA CB C 13 18.25 0.006 . 1 . . . . 39 A CB . 11436 1 147 . 1 1 39 39 ALA N N 15 120.799 0.064 . 1 . . . . 39 A N . 11436 1 148 . 1 1 40 40 GLU H H 1 7.749 0.001 . 1 . . . . 40 E HN . 11436 1 149 . 1 1 40 40 GLU CA C 13 59.245 0.106 . 1 . . . . 40 E CA . 11436 1 150 . 1 1 40 40 GLU CB C 13 29.465 0.056 . 1 . . . . 40 E CB . 11436 1 151 . 1 1 40 40 GLU N N 15 122.085 0.068 . 1 . . . . 40 E N . 11436 1 152 . 1 1 41 41 ARG H H 1 8.011 0.002 . 1 . . . . 41 R HN . 11436 1 153 . 1 1 41 41 ARG CA C 13 59.169 0.028 . 1 . . . . 41 R CA . 11436 1 154 . 1 1 41 41 ARG CB C 13 30.143 0.039 . 1 . . . . 41 R CB . 11436 1 155 . 1 1 41 41 ARG N N 15 120.605 0.044 . 1 . . . . 41 R N . 11436 1 156 . 1 1 42 42 ASP H H 1 7.471 0.002 . 1 . . . . 42 D HN . 11436 1 157 . 1 1 42 42 ASP CA C 13 54.402 0.05 . 1 . . . . 42 D CA . 11436 1 158 . 1 1 42 42 ASP CB C 13 41.22 0.037 . 1 . . . . 42 D CB . 11436 1 159 . 1 1 42 42 ASP N N 15 116.981 0.019 . 1 . . . . 42 D N . 11436 1 160 . 1 1 43 43 LEU H H 1 7.732 0.002 . 1 . . . . 43 L HN . 11436 1 161 . 1 1 43 43 LEU CA C 13 59.749 0.04 . 1 . . . . 43 L CA . 11436 1 162 . 1 1 43 43 LEU CB C 13 42.914 0.007 . 1 . . . . 43 L CB . 11436 1 163 . 1 1 43 43 LEU N N 15 124.209 0.085 . 1 . . . . 43 L N . 11436 1 164 . 1 1 44 44 GLN H H 1 8.624 0.001 . 1 . . . . 44 Q HN . 11436 1 165 . 1 1 44 44 GLN CA C 13 59.845 0.087 . 1 . . . . 44 Q CA . 11436 1 166 . 1 1 44 44 GLN CB C 13 27.97 0.005 . 1 . . . . 44 Q CB . 11436 1 167 . 1 1 44 44 GLN N N 15 116.763 0.04 . 1 . . . . 44 Q N . 11436 1 168 . 1 1 45 45 SER H H 1 8.157 0.003 . 1 . . . . 45 S HN . 11436 1 169 . 1 1 45 45 SER CA C 13 62.127 0.036 . 1 . . . . 45 S CA . 11436 1 170 . 1 1 45 45 SER CB C 13 63.805 0.002 . 1 . . . . 45 S CB . 11436 1 171 . 1 1 45 45 SER N N 15 115.384 0.044 . 1 . . . . 45 S N . 11436 1 172 . 1 1 46 46 MET H H 1 8.62 0 . 1 . . . . 46 M HN . 11436 1 173 . 1 1 46 46 MET CA C 13 57.022 0.021 . 1 . . . . 46 M CA . 11436 1 174 . 1 1 46 46 MET CB C 13 30.065 0 . 1 . . . . 46 M CB . 11436 1 175 . 1 1 46 46 MET N N 15 123.531 0.031 . 1 . . . . 46 M N . 11436 1 176 . 1 1 47 47 ASP H H 1 8.506 0.003 . 1 . . . . 47 D HN . 11436 1 177 . 1 1 47 47 ASP CA C 13 56.682 0.039 . 1 . . . . 47 D CA . 11436 1 178 . 1 1 47 47 ASP CB C 13 40.26 0.05 . 1 . . . . 47 D CB . 11436 1 179 . 1 1 47 47 ASP N N 15 115.799 0.028 . 1 . . . . 47 D N . 11436 1 180 . 1 1 48 48 ARG H H 1 7.317 0.002 . 1 . . . . 48 R HN . 11436 1 181 . 1 1 48 48 ARG CA C 13 58.403 0.066 . 1 . . . . 48 R CA . 11436 1 182 . 1 1 48 48 ARG CB C 13 29.411 0.018 . 1 . . . . 48 R CB . 11436 1 183 . 1 1 48 48 ARG N N 15 119.566 0.054 . 1 . . . . 48 R N . 11436 1 184 . 1 1 49 49 TYR H H 1 8.032 0.005 . 1 . . . . 49 Y HN . 11436 1 185 . 1 1 49 49 TYR CA C 13 56.339 0.032 . 1 . . . . 49 Y CA . 11436 1 186 . 1 1 49 49 TYR CB C 13 38.553 0.035 . 1 . . . . 49 Y CB . 11436 1 187 . 1 1 49 49 TYR N N 15 115.97 0.034 . 1 . . . . 49 Y N . 11436 1 188 . 1 1 50 50 LYS H H 1 7.366 0.001 . 1 . . . . 50 K HN . 11436 1 189 . 1 1 50 50 LYS CA C 13 61.407 0.064 . 1 . . . . 50 K CA . 11436 1 190 . 1 1 50 50 LYS CB C 13 32.453 0.044 . 1 . . . . 50 K CB . 11436 1 191 . 1 1 50 50 LYS N N 15 123.127 0.05 . 1 . . . . 50 K N . 11436 1 192 . 1 1 51 51 ALA H H 1 8.512 0.003 . 1 . . . . 51 A HN . 11436 1 193 . 1 1 51 51 ALA CA C 13 55.624 0.079 . 1 . . . . 51 A CA . 11436 1 194 . 1 1 51 51 ALA CB C 13 17.617 0.051 . 1 . . . . 51 A CB . 11436 1 195 . 1 1 51 51 ALA N N 15 118.949 0.089 . 1 . . . . 51 A N . 11436 1 196 . 1 1 52 52 LEU H H 1 7.593 0 . 1 . . . . 52 L HN . 11436 1 197 . 1 1 52 52 LEU CA C 13 57.526 0.011 . 1 . . . . 52 L CA . 11436 1 198 . 1 1 52 52 LEU CB C 13 42.625 0.036 . 1 . . . . 52 L CB . 11436 1 199 . 1 1 52 52 LEU N N 15 119.847 0.051 . 1 . . . . 52 L N . 11436 1 200 . 1 1 53 53 ILE H H 1 8.659 0.005 . 1 . . . . 53 I HN . 11436 1 201 . 1 1 53 53 ILE CA C 13 66.554 0.015 . 1 . . . . 53 I CA . 11436 1 202 . 1 1 53 53 ILE CB C 13 38.507 0.055 . 1 . . . . 53 I CB . 11436 1 203 . 1 1 53 53 ILE N N 15 120.243 0.066 . 1 . . . . 53 I N . 11436 1 204 . 1 1 54 54 LYS H H 1 8.491 0.001 . 1 . . . . 54 K HN . 11436 1 205 . 1 1 54 54 LYS CA C 13 60.479 0.068 . 1 . . . . 54 K CA . 11436 1 206 . 1 1 54 54 LYS CB C 13 32.406 0 . 1 . . . . 54 K CB . 11436 1 207 . 1 1 54 54 LYS N N 15 116.99 0.066 . 1 . . . . 54 K N . 11436 1 208 . 1 1 55 55 LYS H H 1 7.863 0.002 . 1 . . . . 55 K HN . 11436 1 209 . 1 1 55 55 LYS CA C 13 59.86 0.002 . 1 . . . . 55 K CA . 11436 1 210 . 1 1 55 55 LYS CB C 13 33.017 0.003 . 1 . . . . 55 K CB . 11436 1 211 . 1 1 55 55 LYS N N 15 121.445 0.055 . 1 . . . . 55 K N . 11436 1 212 . 1 1 56 56 VAL H H 1 8.427 0.002 . 1 . . . . 56 V HN . 11436 1 213 . 1 1 56 56 VAL CA C 13 67.091 0.02 . 1 . . . . 56 V CA . 11436 1 214 . 1 1 56 56 VAL CB C 13 31.497 0.304 . 1 . . . . 56 V CB . 11436 1 215 . 1 1 56 56 VAL N N 15 120.597 0.038 . 1 . . . . 56 V N . 11436 1 216 . 1 1 57 57 GLY H H 1 8.53 0.002 . 1 . . . . 57 G HN . 11436 1 217 . 1 1 57 57 GLY CA C 13 48.824 0.067 . 1 . . . . 57 G CA . 11436 1 218 . 1 1 57 57 GLY N N 15 106.369 0.067 . 1 . . . . 57 G N . 11436 1 219 . 1 1 58 58 GLN H H 1 8.304 0.001 . 1 . . . . 58 Q HN . 11436 1 220 . 1 1 58 58 GLN CA C 13 59.205 0.043 . 1 . . . . 58 Q CA . 11436 1 221 . 1 1 58 58 GLN CB C 13 28.091 0.008 . 1 . . . . 58 Q CB . 11436 1 222 . 1 1 58 58 GLN N N 15 119.822 0.01 . 1 . . . . 58 Q N . 11436 1 223 . 1 1 59 59 LYS H H 1 8.1 0.005 . 1 . . . . 59 K HN . 11436 1 224 . 1 1 59 59 LYS CA C 13 58.985 0.008 . 1 . . . . 59 K CA . 11436 1 225 . 1 1 59 59 LYS CB C 13 32.249 0.022 . 1 . . . . 59 K CB . 11436 1 226 . 1 1 59 59 LYS N N 15 120.057 0.027 . 1 . . . . 59 K N . 11436 1 227 . 1 1 60 60 LEU H H 1 7.825 0.001 . 1 . . . . 60 L HN . 11436 1 228 . 1 1 60 60 LEU CA C 13 54.029 0.047 . 1 . . . . 60 L CA . 11436 1 229 . 1 1 60 60 LEU CB C 13 41.745 0.068 . 1 . . . . 60 L CB . 11436 1 230 . 1 1 60 60 LEU N N 15 115.342 0.058 . 1 . . . . 60 L N . 11436 1 231 . 1 1 61 61 CYS H H 1 8.048 0.001 . 1 . . . . 61 C HN . 11436 1 232 . 1 1 61 61 CYS CA C 13 54.36 0.026 . 1 . . . . 61 C CA . 11436 1 233 . 1 1 61 61 CYS CB C 13 42.266 0.066 . 1 . . . . 61 C CB . 11436 1 234 . 1 1 61 61 CYS N N 15 122.853 0.033 . 1 . . . . 61 C N . 11436 1 235 . 1 1 62 62 VAL H H 1 8.883 0.001 . 1 . . . . 62 V HN . 11436 1 236 . 1 1 62 62 VAL CA C 13 60.565 0.041 . 1 . . . . 62 V CA . 11436 1 237 . 1 1 62 62 VAL CB C 13 35.881 0.004 . 1 . . . . 62 V CB . 11436 1 238 . 1 1 62 62 VAL N N 15 119.071 0.043 . 1 . . . . 62 V N . 11436 1 239 . 1 1 63 63 ASP H H 1 8.081 0.001 . 1 . . . . 63 D HN . 11436 1 240 . 1 1 63 63 ASP CA C 13 52.329 0 . 1 . . . . 63 D CA . 11436 1 241 . 1 1 63 63 ASP CB C 13 43.042 0 . 1 . . . . 63 D CB . 11436 1 242 . 1 1 63 63 ASP N N 15 127.28 0.037 . 1 . . . . 63 D N . 11436 1 243 . 1 1 64 64 PRO CA C 13 65.022 0 . 1 . . . . 64 P CA . 11436 1 244 . 1 1 64 64 PRO CB C 13 32.686 0 . 1 . . . . 64 P CB . 11436 1 245 . 1 1 65 65 ALA H H 1 8.943 0.002 . 1 . . . . 65 A HN . 11436 1 246 . 1 1 65 65 ALA CA C 13 55.332 0.017 . 1 . . . . 65 A CA . 11436 1 247 . 1 1 65 65 ALA CB C 13 18.709 0.064 . 1 . . . . 65 A CB . 11436 1 248 . 1 1 65 65 ALA N N 15 117.687 0.047 . 1 . . . . 65 A N . 11436 1 249 . 1 1 66 66 VAL H H 1 7.726 0.002 . 1 . . . . 66 V HN . 11436 1 250 . 1 1 66 66 VAL CA C 13 66.748 0.045 . 1 . . . . 66 V CA . 11436 1 251 . 1 1 66 66 VAL CB C 13 30.521 0.008 . 1 . . . . 66 V CB . 11436 1 252 . 1 1 66 66 VAL N N 15 116.561 0.064 . 1 . . . . 66 V N . 11436 1 253 . 1 1 67 67 ILE H H 1 6.72 0.002 . 1 . . . . 67 I HN . 11436 1 254 . 1 1 67 67 ILE CA C 13 66.207 0.085 . 1 . . . . 67 I CA . 11436 1 255 . 1 1 67 67 ILE CB C 13 37.206 0.044 . 1 . . . . 67 I CB . 11436 1 256 . 1 1 67 67 ILE N N 15 118.915 0.038 . 1 . . . . 67 I N . 11436 1 257 . 1 1 68 68 ALA H H 1 8.107 0.002 . 1 . . . . 68 A HN . 11436 1 258 . 1 1 68 68 ALA CA C 13 55.326 0.028 . 1 . . . . 68 A CA . 11436 1 259 . 1 1 68 68 ALA CB C 13 17.858 0.052 . 1 . . . . 68 A CB . 11436 1 260 . 1 1 68 68 ALA N N 15 119.998 0.087 . 1 . . . . 68 A N . 11436 1 261 . 1 1 69 69 GLY H H 1 8.358 0.002 . 1 . . . . 69 G HN . 11436 1 262 . 1 1 69 69 GLY CA C 13 48.419 0.053 . 1 . . . . 69 G CA . 11436 1 263 . 1 1 69 69 GLY N N 15 106.062 0.036 . 1 . . . . 69 G N . 11436 1 264 . 1 1 70 70 ILE H H 1 8.03 0.003 . 1 . . . . 70 I HN . 11436 1 265 . 1 1 70 70 ILE CA C 13 65.518 0.088 . 1 . . . . 70 I CA . 11436 1 266 . 1 1 70 70 ILE CB C 13 37.379 0.058 . 1 . . . . 70 I CB . 11436 1 267 . 1 1 70 70 ILE N N 15 121.005 0.046 . 1 . . . . 70 I N . 11436 1 268 . 1 1 71 71 ILE H H 1 8.405 0.001 . 1 . . . . 71 I HN . 11436 1 269 . 1 1 71 71 ILE CA C 13 65.378 0.047 . 1 . . . . 71 I CA . 11436 1 270 . 1 1 71 71 ILE CB C 13 37.381 0.038 . 1 . . . . 71 I CB . 11436 1 271 . 1 1 71 71 ILE N N 15 119.633 0.053 . 1 . . . . 71 I N . 11436 1 272 . 1 1 72 72 SER H H 1 8.581 0.001 . 1 . . . . 72 S HN . 11436 1 273 . 1 1 72 72 SER CA C 13 61.483 0.008 . 1 . . . . 72 S CA . 11436 1 274 . 1 1 72 72 SER CB C 13 63.85 0 . 1 . . . . 72 S CB . 11436 1 275 . 1 1 72 72 SER N N 15 115.127 0.066 . 1 . . . . 72 S N . 11436 1 276 . 1 1 73 73 ARG H H 1 7.545 0.005 . 1 . . . . 73 R HN . 11436 1 277 . 1 1 73 73 ARG CA C 13 57.574 0 . 1 . . . . 73 R CA . 11436 1 278 . 1 1 73 73 ARG CB C 13 32.484 0.023 . 1 . . . . 73 R CB . 11436 1 279 . 1 1 73 73 ARG N N 15 118.612 0.046 . 1 . . . . 73 R N . 11436 1 280 . 1 1 74 74 ALA H H 1 7.596 0.003 . 1 . . . . 74 A HN . 11436 1 281 . 1 1 74 74 ALA CA C 13 54.531 0 . 1 . . . . 74 A CA . 11436 1 282 . 1 1 74 74 ALA CB C 13 19.079 0 . 1 . . . . 74 A CB . 11436 1 283 . 1 1 74 74 ALA N N 15 115.978 0.026 . 1 . . . . 74 A N . 11436 1 284 . 1 1 75 75 SER H H 1 8.246 0.001 . 1 . . . . 75 S HN . 11436 1 285 . 1 1 75 75 SER CA C 13 57.738 0.031 . 1 . . . . 75 S CA . 11436 1 286 . 1 1 75 75 SER CB C 13 67.375 0.049 . 1 . . . . 75 S CB . 11436 1 287 . 1 1 75 75 SER N N 15 104.919 0.073 . 1 . . . . 75 S N . 11436 1 288 . 1 1 76 76 HIS H H 1 8.356 0.002 . 1 . . . . 76 H HN . 11436 1 289 . 1 1 76 76 HIS CA C 13 57.694 0.078 . 1 . . . . 76 H CA . 11436 1 290 . 1 1 76 76 HIS CB C 13 27.165 0.021 . 1 . . . . 76 H CB . 11436 1 291 . 1 1 76 76 HIS N N 15 122.158 0.055 . 1 . . . . 76 H N . 11436 1 292 . 1 1 77 77 ALA H H 1 7.549 0.001 . 1 . . . . 77 A HN . 11436 1 293 . 1 1 77 77 ALA CA C 13 53.043 0.067 . 1 . . . . 77 A CA . 11436 1 294 . 1 1 77 77 ALA CB C 13 16.539 0.029 . 1 . . . . 77 A CB . 11436 1 295 . 1 1 77 77 ALA N N 15 114.336 0.023 . 1 . . . . 77 A N . 11436 1 296 . 1 1 78 78 GLY H H 1 7.529 0.001 . 1 . . . . 78 G HN . 11436 1 297 . 1 1 78 78 GLY CA C 13 45.529 0.049 . 1 . . . . 78 G CA . 11436 1 298 . 1 1 78 78 GLY N N 15 103.003 0.01 . 1 . . . . 78 G N . 11436 1 299 . 1 1 79 79 LYS H H 1 7.654 0.002 . 1 . . . . 79 K HN . 11436 1 300 . 1 1 79 79 LYS CA C 13 59.065 0.043 . 1 . . . . 79 K CA . 11436 1 301 . 1 1 79 79 LYS CB C 13 32.164 0.025 . 1 . . . . 79 K CB . 11436 1 302 . 1 1 79 79 LYS N N 15 121.137 0.056 . 1 . . . . 79 K N . 11436 1 303 . 1 1 80 80 ALA H H 1 7.595 0.005 . 1 . . . . 80 A HN . 11436 1 304 . 1 1 80 80 ALA CA C 13 51.711 0.048 . 1 . . . . 80 A CA . 11436 1 305 . 1 1 80 80 ALA CB C 13 19.759 0.003 . 1 . . . . 80 A CB . 11436 1 306 . 1 1 80 80 ALA N N 15 116.188 0.038 . 1 . . . . 80 A N . 11436 1 307 . 1 1 81 81 LEU H H 1 6.94 0.002 . 1 . . . . 81 L HN . 11436 1 308 . 1 1 81 81 LEU CA C 13 53.418 0.028 . 1 . . . . 81 L CA . 11436 1 309 . 1 1 81 81 LEU CB C 13 42.765 0.033 . 1 . . . . 81 L CB . 11436 1 310 . 1 1 81 81 LEU N N 15 115.123 0.04 . 1 . . . . 81 L N . 11436 1 311 . 1 1 82 82 ARG H H 1 8.694 0.002 . 1 . . . . 82 R HN . 11436 1 312 . 1 1 82 82 ARG CA C 13 54.803 0.011 . 1 . . . . 82 R CA . 11436 1 313 . 1 1 82 82 ARG CB C 13 30.62 0.016 . 1 . . . . 82 R CB . 11436 1 314 . 1 1 82 82 ARG N N 15 120.159 0.075 . 1 . . . . 82 R N . 11436 1 315 . 1 1 83 83 ASN H H 1 9.305 0.005 . 1 . . . . 83 N HN . 11436 1 316 . 1 1 83 83 ASN CA C 13 53.804 0.119 . 1 . . . . 83 N CA . 11436 1 317 . 1 1 83 83 ASN CB C 13 37.628 0.005 . 1 . . . . 83 N CB . 11436 1 318 . 1 1 83 83 ASN N N 15 126.559 0.052 . 1 . . . . 83 N N . 11436 1 319 . 1 1 84 84 GLY H H 1 7.322 0.001 . 1 . . . . 84 G HN . 11436 1 320 . 1 1 84 84 GLY CA C 13 45 0.002 . 1 . . . . 84 G CA . 11436 1 321 . 1 1 84 84 GLY N N 15 100.357 0.01 . 1 . . . . 84 G N . 11436 1 322 . 1 1 85 85 TRP H H 1 7.559 0.001 . 1 . . . . 85 W HN . 11436 1 323 . 1 1 85 85 TRP CA C 13 56.227 0.028 . 1 . . . . 85 W CA . 11436 1 324 . 1 1 85 85 TRP CB C 13 32.121 0.037 . 1 . . . . 85 W CB . 11436 1 325 . 1 1 85 85 TRP N N 15 119.298 0.035 . 1 . . . . 85 W N . 11436 1 326 . 1 1 86 86 GLY H H 1 9.589 0.001 . 1 . . . . 86 G HN . 11436 1 327 . 1 1 86 86 GLY CA C 13 44.256 0.05 . 1 . . . . 86 G CA . 11436 1 328 . 1 1 86 86 GLY N N 15 110.737 0.013 . 1 . . . . 86 G N . 11436 1 329 . 1 1 87 87 ASP H H 1 8.864 0.001 . 1 . . . . 87 D HN . 11436 1 330 . 1 1 87 87 ASP CA C 13 55.818 0.007 . 1 . . . . 87 D CA . 11436 1 331 . 1 1 87 87 ASP CB C 13 39.916 0.007 . 1 . . . . 87 D CB . 11436 1 332 . 1 1 87 87 ASP N N 15 120.956 0.031 . 1 . . . . 87 D N . 11436 1 333 . 1 1 88 88 ASN H H 1 8.743 0.003 . 1 . . . . 88 N HN . 11436 1 334 . 1 1 88 88 ASN CA C 13 53.677 0.05 . 1 . . . . 88 N CA . 11436 1 335 . 1 1 88 88 ASN CB C 13 37.551 0.007 . 1 . . . . 88 N CB . 11436 1 336 . 1 1 88 88 ASN N N 15 114.942 0.049 . 1 . . . . 88 N N . 11436 1 337 . 1 1 89 89 GLY H H 1 7.929 0.003 . 1 . . . . 89 G HN . 11436 1 338 . 1 1 89 89 GLY CA C 13 45.726 0.002 . 1 . . . . 89 G CA . 11436 1 339 . 1 1 89 89 GLY N N 15 105.175 0.061 . 1 . . . . 89 G N . 11436 1 340 . 1 1 90 90 ASN H H 1 8.063 0.001 . 1 . . . . 90 N HN . 11436 1 341 . 1 1 90 90 ASN CA C 13 54.418 0.004 . 1 . . . . 90 N CA . 11436 1 342 . 1 1 90 90 ASN CB C 13 40.162 0 . 1 . . . . 90 N CB . 11436 1 343 . 1 1 90 90 ASN N N 15 115.8 0.053 . 1 . . . . 90 N N . 11436 1 344 . 1 1 91 91 GLY H H 1 8.585 0 . 1 . . . . 91 G HN . 11436 1 345 . 1 1 91 91 GLY CA C 13 44.466 0.016 . 1 . . . . 91 G CA . 11436 1 346 . 1 1 91 91 GLY N N 15 107.024 0.057 . 1 . . . . 91 G N . 11436 1 347 . 1 1 92 92 PHE H H 1 9.438 0 . 1 . . . . 92 F HN . 11436 1 348 . 1 1 92 92 PHE CA C 13 56.742 0.013 . 1 . . . . 92 F CA . 11436 1 349 . 1 1 92 92 PHE CB C 13 41.921 0.025 . 1 . . . . 92 F CB . 11436 1 350 . 1 1 92 92 PHE N N 15 126.729 0.038 . 1 . . . . 92 F N . 11436 1 351 . 1 1 93 93 GLY H H 1 8.102 0.001 . 1 . . . . 93 G HN . 11436 1 352 . 1 1 93 93 GLY CA C 13 43.848 0.034 . 1 . . . . 93 G CA . 11436 1 353 . 1 1 93 93 GLY N N 15 111.457 0.069 . 1 . . . . 93 G N . 11436 1 354 . 1 1 94 94 LEU H H 1 7.128 0.001 . 1 . . . . 94 L HN . 11436 1 355 . 1 1 94 94 LEU CA C 13 57.606 0 . 1 . . . . 94 L CA . 11436 1 356 . 1 1 94 94 LEU CB C 13 43.023 0 . 1 . . . . 94 L CB . 11436 1 357 . 1 1 94 94 LEU N N 15 120.772 0.067 . 1 . . . . 94 L N . 11436 1 358 . 1 1 95 95 MET H H 1 12.225 0 . 1 . . . . 95 M HN . 11436 1 359 . 1 1 95 95 MET CA C 13 56.893 0 . 1 . . . . 95 M CA . 11436 1 360 . 1 1 95 95 MET CB C 13 33.155 0 . 1 . . . . 95 M CB . 11436 1 361 . 1 1 95 95 MET N N 15 116.943 0 . 1 . . . . 95 M N . 11436 1 362 . 1 1 96 96 GLN H H 1 7.848 0.003 . 1 . . . . 96 Q HN . 11436 1 363 . 1 1 96 96 GLN CA C 13 55.538 0.066 . 1 . . . . 96 Q CA . 11436 1 364 . 1 1 96 96 GLN CB C 13 27.173 0.058 . 1 . . . . 96 Q CB . 11436 1 365 . 1 1 96 96 GLN N N 15 115.936 0.075 . 1 . . . . 96 Q N . 11436 1 366 . 1 1 97 97 VAL H H 1 8.482 0.003 . 1 . . . . 97 V HN . 11436 1 367 . 1 1 97 97 VAL CA C 13 63.418 0.026 . 1 . . . . 97 V CA . 11436 1 368 . 1 1 97 97 VAL CB C 13 32.875 0.046 . 1 . . . . 97 V CB . 11436 1 369 . 1 1 97 97 VAL N N 15 122.616 0.092 . 1 . . . . 97 V N . 11436 1 370 . 1 1 98 98 ASP H H 1 8.92 0.002 . 1 . . . . 98 D HN . 11436 1 371 . 1 1 98 98 ASP CA C 13 54.008 0.024 . 1 . . . . 98 D CA . 11436 1 372 . 1 1 98 98 ASP CB C 13 42.202 0.04 . 1 . . . . 98 D CB . 11436 1 373 . 1 1 98 98 ASP N N 15 129.945 0.007 . 1 . . . . 98 D N . 11436 1 374 . 1 1 99 99 ARG H H 1 9.257 0.002 . 1 . . . . 99 R HN . 11436 1 375 . 1 1 99 99 ARG CA C 13 56.537 0.023 . 1 . . . . 99 R CA . 11436 1 376 . 1 1 99 99 ARG CB C 13 29.411 0.024 . 1 . . . . 99 R CB . 11436 1 377 . 1 1 99 99 ARG N N 15 127.343 0.06 . 1 . . . . 99 R N . 11436 1 378 . 1 1 100 100 ARG H H 1 9.101 0.002 . 1 . . . . 100 R HN . 11436 1 379 . 1 1 100 100 ARG CA C 13 57.759 0.075 . 1 . . . . 100 R CA . 11436 1 380 . 1 1 100 100 ARG CB C 13 29.326 0.027 . 1 . . . . 100 R CB . 11436 1 381 . 1 1 100 100 ARG N N 15 120.649 0.082 . 1 . . . . 100 R N . 11436 1 382 . 1 1 101 101 SER H H 1 7.569 0.002 . 1 . . . . 101 S HN . 11436 1 383 . 1 1 101 101 SER CA C 13 58.368 0.052 . 1 . . . . 101 S CA . 11436 1 384 . 1 1 101 101 SER CB C 13 65.16 0.061 . 1 . . . . 101 S CB . 11436 1 385 . 1 1 101 101 SER N N 15 111.218 0.044 . 1 . . . . 101 S N . 11436 1 386 . 1 1 102 102 HIS H H 1 8.069 0.003 . 1 . . . . 102 H HN . 11436 1 387 . 1 1 102 102 HIS CA C 13 54.421 0.044 . 1 . . . . 102 H CA . 11436 1 388 . 1 1 102 102 HIS CB C 13 32.513 0.008 . 1 . . . . 102 H CB . 11436 1 389 . 1 1 102 102 HIS N N 15 119.319 0.05 . 1 . . . . 102 H N . 11436 1 390 . 1 1 103 103 LYS H H 1 8.494 0.002 . 1 . . . . 103 K HN . 11436 1 391 . 1 1 103 103 LYS CA C 13 53.604 0 . 1 . . . . 103 K CA . 11436 1 392 . 1 1 103 103 LYS CB C 13 32.639 0 . 1 . . . . 103 K CB . 11436 1 393 . 1 1 103 103 LYS N N 15 122.913 0.069 . 1 . . . . 103 K N . 11436 1 394 . 1 1 104 104 PRO CA C 13 63.061 0.002 . 1 . . . . 104 P CA . 11436 1 395 . 1 1 104 104 PRO CB C 13 32.166 0 . 1 . . . . 104 P CB . 11436 1 396 . 1 1 105 105 VAL H H 1 7.894 0.001 . 1 . . . . 105 V HN . 11436 1 397 . 1 1 105 105 VAL CA C 13 59.925 0.034 . 1 . . . . 105 V CA . 11436 1 398 . 1 1 105 105 VAL CB C 13 34.729 0.068 . 1 . . . . 105 V CB . 11436 1 399 . 1 1 105 105 VAL N N 15 117.845 0.022 . 1 . . . . 105 V N . 11436 1 400 . 1 1 106 106 GLY H H 1 8.146 0 . 1 . . . . 106 G HN . 11436 1 401 . 1 1 106 106 GLY CA C 13 44.2 0.095 . 1 . . . . 106 G CA . 11436 1 402 . 1 1 106 106 GLY N N 15 106.03 0.009 . 1 . . . . 106 G N . 11436 1 403 . 1 1 107 107 GLU H H 1 8.198 0 . 1 . . . . 107 E HN . 11436 1 404 . 1 1 107 107 GLU CA C 13 56.412 0.023 . 1 . . . . 107 E CA . 11436 1 405 . 1 1 107 107 GLU CB C 13 30.071 0.049 . 1 . . . . 107 E CB . 11436 1 406 . 1 1 107 107 GLU N N 15 115.209 0.012 . 1 . . . . 107 E N . 11436 1 407 . 1 1 108 108 TRP H H 1 8.558 0.001 . 1 . . . . 108 W HN . 11436 1 408 . 1 1 108 108 TRP CA C 13 58.7 0.086 . 1 . . . . 108 W CA . 11436 1 409 . 1 1 108 108 TRP CB C 13 28.801 0.037 . 1 . . . . 108 W CB . 11436 1 410 . 1 1 108 108 TRP N N 15 119.905 0.061 . 1 . . . . 108 W N . 11436 1 411 . 1 1 109 109 ASN H H 1 6.557 0.003 . 1 . . . . 109 N HN . 11436 1 412 . 1 1 109 109 ASN CA C 13 49.567 0.064 . 1 . . . . 109 N CA . 11436 1 413 . 1 1 109 109 ASN CB C 13 34.906 0.007 . 1 . . . . 109 N CB . 11436 1 414 . 1 1 109 109 ASN N N 15 114.242 0.052 . 1 . . . . 109 N N . 11436 1 415 . 1 1 110 110 GLY H H 1 6.873 0.001 . 1 . . . . 110 G HN . 11436 1 416 . 1 1 110 110 GLY CA C 13 44.068 0.002 . 1 . . . . 110 G CA . 11436 1 417 . 1 1 110 110 GLY N N 15 102.151 0.013 . 1 . . . . 110 G N . 11436 1 418 . 1 1 111 111 GLU H H 1 8.695 0.002 . 1 . . . . 111 E HN . 11436 1 419 . 1 1 111 111 GLU CA C 13 60.297 0.011 . 1 . . . . 111 E CA . 11436 1 420 . 1 1 111 111 GLU CB C 13 30.475 0.016 . 1 . . . . 111 E CB . 11436 1 421 . 1 1 111 111 GLU N N 15 119.121 0.07 . 1 . . . . 111 E N . 11436 1 422 . 1 1 112 112 ARG H H 1 8.654 0.003 . 1 . . . . 112 R HN . 11436 1 423 . 1 1 112 112 ARG CA C 13 59.781 0.074 . 1 . . . . 112 R CA . 11436 1 424 . 1 1 112 112 ARG CB C 13 29.629 0.037 . 1 . . . . 112 R CB . 11436 1 425 . 1 1 112 112 ARG N N 15 117.631 0.048 . 1 . . . . 112 R N . 11436 1 426 . 1 1 113 113 HIS H H 1 8.606 0.001 . 1 . . . . 113 H HN . 11436 1 427 . 1 1 113 113 HIS CA C 13 59.384 0 . 1 . . . . 113 H CA . 11436 1 428 . 1 1 113 113 HIS CB C 13 28.311 0 . 1 . . . . 113 H CB . 11436 1 429 . 1 1 113 113 HIS N N 15 119.894 0.065 . 1 . . . . 113 H N . 11436 1 430 . 1 1 114 114 LEU H H 1 7.646 0.001 . 1 . . . . 114 L HN . 11436 1 431 . 1 1 114 114 LEU CA C 13 57.029 0.063 . 1 . . . . 114 L CA . 11436 1 432 . 1 1 114 114 LEU CB C 13 42.469 0.003 . 1 . . . . 114 L CB . 11436 1 433 . 1 1 114 114 LEU N N 15 117.694 0.057 . 1 . . . . 114 L N . 11436 1 434 . 1 1 115 115 MET H H 1 8.807 0.003 . 1 . . . . 115 M HN . 11436 1 435 . 1 1 115 115 MET CA C 13 57.875 0.099 . 1 . . . . 115 M CA . 11436 1 436 . 1 1 115 115 MET CB C 13 30.564 0.038 . 1 . . . . 115 M CB . 11436 1 437 . 1 1 115 115 MET N N 15 119.949 0.058 . 1 . . . . 115 M N . 11436 1 438 . 1 1 116 116 GLN H H 1 7.67 0.004 . 1 . . . . 116 Q HN . 11436 1 439 . 1 1 116 116 GLN CA C 13 59.692 0.079 . 1 . . . . 116 Q CA . 11436 1 440 . 1 1 116 116 GLN CB C 13 27.792 0.099 . 1 . . . . 116 Q CB . 11436 1 441 . 1 1 116 116 GLN N N 15 120.247 0.046 . 1 . . . . 116 Q N . 11436 1 442 . 1 1 117 117 GLY H H 1 8.795 0.001 . 1 . . . . 117 G HN . 11436 1 443 . 1 1 117 117 GLY CA C 13 47.578 0.099 . 1 . . . . 117 G CA . 11436 1 444 . 1 1 117 117 GLY N N 15 104.354 0.031 . 1 . . . . 117 G N . 11436 1 445 . 1 1 118 118 THR H H 1 8.009 0.001 . 1 . . . . 118 T HN . 11436 1 446 . 1 1 118 118 THR CA C 13 67.966 0.024 . 1 . . . . 118 T CA . 11436 1 447 . 1 1 118 118 THR CB C 13 66.419 0.06 . 1 . . . . 118 T CB . 11436 1 448 . 1 1 118 118 THR N N 15 118.908 0.071 . 1 . . . . 118 T N . 11436 1 449 . 1 1 119 119 GLU H H 1 8.759 0.003 . 1 . . . . 119 E HN . 11436 1 450 . 1 1 119 119 GLU CA C 13 60.411 0.009 . 1 . . . . 119 E CA . 11436 1 451 . 1 1 119 119 GLU CB C 13 29.039 0.008 . 1 . . . . 119 E CB . 11436 1 452 . 1 1 119 119 GLU N N 15 123.705 0.03 . 1 . . . . 119 E N . 11436 1 453 . 1 1 120 120 ILE H H 1 8.183 0.003 . 1 . . . . 120 I HN . 11436 1 454 . 1 1 120 120 ILE CA C 13 65.748 0.026 . 1 . . . . 120 I CA . 11436 1 455 . 1 1 120 120 ILE CB C 13 37.486 0.008 . 1 . . . . 120 I CB . 11436 1 456 . 1 1 120 120 ILE N N 15 122.33 0.019 . 1 . . . . 120 I N . 11436 1 457 . 1 1 121 121 LEU H H 1 8.065 0.003 . 1 . . . . 121 L HN . 11436 1 458 . 1 1 121 121 LEU CA C 13 59.189 0.018 . 1 . . . . 121 L CA . 11436 1 459 . 1 1 121 121 LEU CB C 13 40.012 0.008 . 1 . . . . 121 L CB . 11436 1 460 . 1 1 121 121 LEU N N 15 122.422 0.026 . 1 . . . . 121 L N . 11436 1 461 . 1 1 122 122 ILE H H 1 8.603 0.004 . 1 . . . . 122 I HN . 11436 1 462 . 1 1 122 122 ILE CA C 13 66.502 0.03 . 1 . . . . 122 I CA . 11436 1 463 . 1 1 122 122 ILE CB C 13 37.475 0.014 . 1 . . . . 122 I CB . 11436 1 464 . 1 1 122 122 ILE N N 15 119.694 0.026 . 1 . . . . 122 I N . 11436 1 465 . 1 1 123 123 SER H H 1 8.235 0.002 . 1 . . . . 123 S HN . 11436 1 466 . 1 1 123 123 SER CA C 13 62.628 0.036 . 1 . . . . 123 S CA . 11436 1 467 . 1 1 123 123 SER N N 15 116.165 0.057 . 1 . . . . 123 S N . 11436 1 468 . 1 1 124 124 MET H H 1 8.147 0.001 . 1 . . . . 124 M HN . 11436 1 469 . 1 1 124 124 MET CA C 13 57.349 0.013 . 1 . . . . 124 M CA . 11436 1 470 . 1 1 124 124 MET CB C 13 33.821 0.028 . 1 . . . . 124 M CB . 11436 1 471 . 1 1 124 124 MET N N 15 122.486 0.073 . 1 . . . . 124 M N . 11436 1 472 . 1 1 125 125 ILE H H 1 8.609 0.001 . 1 . . . . 125 I HN . 11436 1 473 . 1 1 125 125 ILE CA C 13 66.688 0.096 . 1 . . . . 125 I CA . 11436 1 474 . 1 1 125 125 ILE CB C 13 38.061 0.013 . 1 . . . . 125 I CB . 11436 1 475 . 1 1 125 125 ILE N N 15 121.306 0.028 . 1 . . . . 125 I N . 11436 1 476 . 1 1 126 126 LYS H H 1 8.887 0.002 . 1 . . . . 126 K HN . 11436 1 477 . 1 1 126 126 LYS CA C 13 60.011 0.052 . 1 . . . . 126 K CA . 11436 1 478 . 1 1 126 126 LYS CB C 13 31.978 0.024 . 1 . . . . 126 K CB . 11436 1 479 . 1 1 126 126 LYS N N 15 118.222 0.053 . 1 . . . . 126 K N . 11436 1 480 . 1 1 127 127 ALA H H 1 7.918 0.001 . 1 . . . . 127 A HN . 11436 1 481 . 1 1 127 127 ALA CA C 13 55.058 0.055 . 1 . . . . 127 A CA . 11436 1 482 . 1 1 127 127 ALA CB C 13 17.615 0.082 . 1 . . . . 127 A CB . 11436 1 483 . 1 1 127 127 ALA N N 15 122.057 0.057 . 1 . . . . 127 A N . 11436 1 484 . 1 1 128 128 ILE H H 1 8.093 0.002 . 1 . . . . 128 I HN . 11436 1 485 . 1 1 128 128 ILE CA C 13 61.42 0.053 . 1 . . . . 128 I CA . 11436 1 486 . 1 1 128 128 ILE CB C 13 34.222 0.028 . 1 . . . . 128 I CB . 11436 1 487 . 1 1 128 128 ILE N N 15 121.757 0.04 . 1 . . . . 128 I N . 11436 1 488 . 1 1 129 129 GLN H H 1 8.934 0.001 . 1 . . . . 129 Q HN . 11436 1 489 . 1 1 129 129 GLN CA C 13 58.983 0.022 . 1 . . . . 129 Q CA . 11436 1 490 . 1 1 129 129 GLN CB C 13 27.79 0.058 . 1 . . . . 129 Q CB . 11436 1 491 . 1 1 129 129 GLN N N 15 121.152 0.056 . 1 . . . . 129 Q N . 11436 1 492 . 1 1 130 130 LYS H H 1 7.363 0.001 . 1 . . . . 130 K HN . 11436 1 493 . 1 1 130 130 LYS CA C 13 57.903 0.012 . 1 . . . . 130 K CA . 11436 1 494 . 1 1 130 130 LYS CB C 13 32.438 0.059 . 1 . . . . 130 K CB . 11436 1 495 . 1 1 130 130 LYS N N 15 115.286 0.055 . 1 . . . . 130 K N . 11436 1 496 . 1 1 131 131 LYS H H 1 7.446 0 . 1 . . . . 131 K HN . 11436 1 497 . 1 1 131 131 LYS CA C 13 58.507 0.057 . 1 . . . . 131 K CA . 11436 1 498 . 1 1 131 131 LYS CB C 13 34.364 0.055 . 1 . . . . 131 K CB . 11436 1 499 . 1 1 131 131 LYS N N 15 119.834 0.025 . 1 . . . . 131 K N . 11436 1 500 . 1 1 132 132 PHE H H 1 8.004 0.002 . 1 . . . . 132 F HN . 11436 1 501 . 1 1 132 132 PHE CA C 13 54.762 0 . 1 . . . . 132 F CA . 11436 1 502 . 1 1 132 132 PHE CB C 13 37.827 0 . 1 . . . . 132 F CB . 11436 1 503 . 1 1 132 132 PHE N N 15 115.376 0.078 . 1 . . . . 132 F N . 11436 1 504 . 1 1 133 133 PRO CA C 13 64.394 0 . 1 . . . . 133 P CA . 11436 1 505 . 1 1 133 133 PRO CB C 13 32.253 0 . 1 . . . . 133 P CB . 11436 1 506 . 1 1 134 134 ARG H H 1 8.512 0.002 . 1 . . . . 134 R HN . 11436 1 507 . 1 1 134 134 ARG CA C 13 55.787 0.089 . 1 . . . . 134 R CA . 11436 1 508 . 1 1 134 134 ARG CB C 13 29.497 0.063 . 1 . . . . 134 R CB . 11436 1 509 . 1 1 134 134 ARG N N 15 115.535 0.062 . 1 . . . . 134 R N . 11436 1 510 . 1 1 135 135 TRP H H 1 7.412 0.003 . 1 . . . . 135 W HN . 11436 1 511 . 1 1 135 135 TRP CA C 13 55.754 0.028 . 1 . . . . 135 W CA . 11436 1 512 . 1 1 135 135 TRP CB C 13 31.179 0.044 . 1 . . . . 135 W CB . 11436 1 513 . 1 1 135 135 TRP N N 15 121.847 0.065 . 1 . . . . 135 W N . 11436 1 514 . 1 1 136 136 THR H H 1 8.734 0.002 . 1 . . . . 136 T HN . 11436 1 515 . 1 1 136 136 THR CA C 13 61.106 0.054 . 1 . . . . 136 T CA . 11436 1 516 . 1 1 136 136 THR CB C 13 71.381 0 . 1 . . . . 136 T CB . 11436 1 517 . 1 1 136 136 THR N N 15 110.105 0.018 . 1 . . . . 136 T N . 11436 1 518 . 1 1 137 137 LYS H H 1 8.965 0.003 . 1 . . . . 137 K HN . 11436 1 519 . 1 1 137 137 LYS CA C 13 59.639 0.072 . 1 . . . . 137 K CA . 11436 1 520 . 1 1 137 137 LYS CB C 13 31.595 0.016 . 1 . . . . 137 K CB . 11436 1 521 . 1 1 137 137 LYS N N 15 120.312 0.055 . 1 . . . . 137 K N . 11436 1 522 . 1 1 138 138 GLU H H 1 8.001 0.003 . 1 . . . . 138 E HN . 11436 1 523 . 1 1 138 138 GLU CA C 13 62.05 0.065 . 1 . . . . 138 E CA . 11436 1 524 . 1 1 138 138 GLU CB C 13 29.208 0.025 . 1 . . . . 138 E CB . 11436 1 525 . 1 1 138 138 GLU N N 15 118.031 0.087 . 1 . . . . 138 E N . 11436 1 526 . 1 1 139 139 GLN H H 1 7.574 0.001 . 1 . . . . 139 Q HN . 11436 1 527 . 1 1 139 139 GLN CA C 13 59.12 0.012 . 1 . . . . 139 Q CA . 11436 1 528 . 1 1 139 139 GLN CB C 13 29.724 0.058 . 1 . . . . 139 Q CB . 11436 1 529 . 1 1 139 139 GLN N N 15 118.59 0.031 . 1 . . . . 139 Q N . 11436 1 530 . 1 1 140 140 GLN H H 1 8.561 0.003 . 1 . . . . 140 Q HN . 11436 1 531 . 1 1 140 140 GLN CA C 13 58.527 0.061 . 1 . . . . 140 Q CA . 11436 1 532 . 1 1 140 140 GLN CB C 13 27.422 0.008 . 1 . . . . 140 Q CB . 11436 1 533 . 1 1 140 140 GLN N N 15 117.016 0.036 . 1 . . . . 140 Q N . 11436 1 534 . 1 1 141 141 LEU H H 1 8.514 0.002 . 1 . . . . 141 L HN . 11436 1 535 . 1 1 141 141 LEU CA C 13 58.442 0.085 . 1 . . . . 141 L CA . 11436 1 536 . 1 1 141 141 LEU CB C 13 39.576 0.039 . 1 . . . . 141 L CB . 11436 1 537 . 1 1 141 141 LEU N N 15 122.281 0.036 . 1 . . . . 141 L N . 11436 1 538 . 1 1 142 142 LYS H H 1 7.792 0.001 . 1 . . . . 142 K HN . 11436 1 539 . 1 1 142 142 LYS CA C 13 61.392 0.039 . 1 . . . . 142 K CA . 11436 1 540 . 1 1 142 142 LYS CB C 13 33.07 0.062 . 1 . . . . 142 K CB . 11436 1 541 . 1 1 142 142 LYS N N 15 118.662 0.014 . 1 . . . . 142 K N . 11436 1 542 . 1 1 143 143 GLY H H 1 8.798 0.001 . 1 . . . . 143 G HN . 11436 1 543 . 1 1 143 143 GLY CA C 13 47.583 0.035 . 1 . . . . 143 G CA . 11436 1 544 . 1 1 143 143 GLY N N 15 102.781 0.024 . 1 . . . . 143 G N . 11436 1 545 . 1 1 144 144 GLY H H 1 9.267 0.002 . 1 . . . . 144 G HN . 11436 1 546 . 1 1 144 144 GLY CA C 13 47.08 0.043 . 1 . . . . 144 G CA . 11436 1 547 . 1 1 144 144 GLY N N 15 111.633 0.011 . 1 . . . . 144 G N . 11436 1 548 . 1 1 145 145 ILE H H 1 8.114 0.002 . 1 . . . . 145 I HN . 11436 1 549 . 1 1 145 145 ILE CA C 13 66.075 0.039 . 1 . . . . 145 I CA . 11436 1 550 . 1 1 145 145 ILE CB C 13 37.614 0.026 . 1 . . . . 145 I CB . 11436 1 551 . 1 1 145 145 ILE N N 15 121.077 0.052 . 1 . . . . 145 I N . 11436 1 552 . 1 1 146 146 SER H H 1 8.21 0.002 . 1 . . . . 146 S HN . 11436 1 553 . 1 1 146 146 SER CA C 13 60.944 0 . 1 . . . . 146 S CA . 11436 1 554 . 1 1 146 146 SER CB C 13 68.361 0 . 1 . . . . 146 S CB . 11436 1 555 . 1 1 146 146 SER N N 15 114.934 0.053 . 1 . . . . 146 S N . 11436 1 556 . 1 1 147 147 ALA H H 1 8.107 0.003 . 1 . . . . 147 A HN . 11436 1 557 . 1 1 147 147 ALA CA C 13 53.141 0.051 . 1 . . . . 147 A CA . 11436 1 558 . 1 1 147 147 ALA CB C 13 18.756 0.06 . 1 . . . . 147 A CB . 11436 1 559 . 1 1 147 147 ALA N N 15 120.056 0.006 . 1 . . . . 147 A N . 11436 1 560 . 1 1 148 148 TYR H H 1 8.191 0.001 . 1 . . . . 148 Y HN . 11436 1 561 . 1 1 148 148 TYR CA C 13 62.322 0.045 . 1 . . . . 148 Y CA . 11436 1 562 . 1 1 148 148 TYR CB C 13 38.675 0.079 . 1 . . . . 148 Y CB . 11436 1 563 . 1 1 148 148 TYR N N 15 121.955 0.066 . 1 . . . . 148 Y N . 11436 1 564 . 1 1 149 149 ASN H H 1 6.914 0.002 . 1 . . . . 149 N HN . 11436 1 565 . 1 1 149 149 ASN CA C 13 55.924 0.006 . 1 . . . . 149 N CA . 11436 1 566 . 1 1 149 149 ASN CB C 13 41.43 0.062 . 1 . . . . 149 N CB . 11436 1 567 . 1 1 149 149 ASN N N 15 113.123 0.052 . 1 . . . . 149 N N . 11436 1 568 . 1 1 150 150 ALA H H 1 7.436 0.002 . 1 . . . . 150 A HN . 11436 1 569 . 1 1 150 150 ALA CA C 13 52.49 0.056 . 1 . . . . 150 A CA . 11436 1 570 . 1 1 150 150 ALA CB C 13 22.184 0.096 . 1 . . . . 150 A CB . 11436 1 571 . 1 1 150 150 ALA N N 15 118.254 0.024 . 1 . . . . 150 A N . 11436 1 572 . 1 1 151 151 GLY H H 1 8.806 0.001 . 1 . . . . 151 G HN . 11436 1 573 . 1 1 151 151 GLY CA C 13 43.609 0 . 1 . . . . 151 G CA . 11436 1 574 . 1 1 151 151 GLY N N 15 110.341 0.004 . 1 . . . . 151 G N . 11436 1 575 . 1 1 152 152 PRO CA C 13 65.308 0 . 1 . . . . 152 P CA . 11436 1 576 . 1 1 152 152 PRO CB C 13 30.897 0 . 1 . . . . 152 P CB . 11436 1 577 . 1 1 153 153 GLY H H 1 8.641 0.002 . 1 . . . . 153 G HN . 11436 1 578 . 1 1 153 153 GLY CA C 13 46.187 0.04 . 1 . . . . 153 G CA . 11436 1 579 . 1 1 153 153 GLY N N 15 106.075 0.078 . 1 . . . . 153 G N . 11436 1 580 . 1 1 154 154 ASN H H 1 7.446 0.001 . 1 . . . . 154 N HN . 11436 1 581 . 1 1 154 154 ASN N N 15 116.59 0.05 . 1 . . . . 154 N N . 11436 1 582 . 1 1 155 155 VAL CA C 13 63.398 0 . 1 . . . . 155 V CA . 11436 1 583 . 1 1 155 155 VAL CB C 13 30.233 0 . 1 . . . . 155 V CB . 11436 1 584 . 1 1 156 156 ARG H H 1 8.578 0.003 . 1 . . . . 156 R HN . 11436 1 585 . 1 1 156 156 ARG CA C 13 56.532 0.027 . 1 . . . . 156 R CA . 11436 1 586 . 1 1 156 156 ARG CB C 13 31.749 0.02 . 1 . . . . 156 R CB . 11436 1 587 . 1 1 156 156 ARG N N 15 126.187 0.038 . 1 . . . . 156 R N . 11436 1 588 . 1 1 157 157 SER H H 1 7.905 0.001 . 1 . . . . 157 S HN . 11436 1 589 . 1 1 157 157 SER CA C 13 57.166 0 . 1 . . . . 157 S CA . 11436 1 590 . 1 1 157 157 SER CB C 13 65.13 0 . 1 . . . . 157 S CB . 11436 1 591 . 1 1 157 157 SER N N 15 112.076 0.02 . 1 . . . . 157 S N . 11436 1 592 . 1 1 162 162 ASP CA C 13 53.871 0.015 . 1 . . . . 162 D CA . 11436 1 593 . 1 1 162 162 ASP CB C 13 41.366 0 . 1 . . . . 162 D CB . 11436 1 594 . 1 1 163 163 ILE H H 1 7.876 0.001 . 1 . . . . 163 I HN . 11436 1 595 . 1 1 163 163 ILE CA C 13 62.38 0.015 . 1 . . . . 163 I CA . 11436 1 596 . 1 1 163 163 ILE CB C 13 34.443 0.025 . 1 . . . . 163 I CB . 11436 1 597 . 1 1 163 163 ILE N N 15 125.625 0.017 . 1 . . . . 163 I N . 11436 1 598 . 1 1 164 164 GLY H H 1 9.568 0.002 . 1 . . . . 164 G HN . 11436 1 599 . 1 1 164 164 GLY CA C 13 45.427 0.072 . 1 . . . . 164 G CA . 11436 1 600 . 1 1 164 164 GLY N N 15 118.894 0.033 . 1 . . . . 164 G N . 11436 1 601 . 1 1 165 165 THR H H 1 8.012 0.002 . 1 . . . . 165 T HN . 11436 1 602 . 1 1 165 165 THR CA C 13 61.468 0.026 . 1 . . . . 165 T CA . 11436 1 603 . 1 1 165 165 THR CB C 13 71.438 0.072 . 1 . . . . 165 T CB . 11436 1 604 . 1 1 165 165 THR N N 15 111.312 0.009 . 1 . . . . 165 T N . 11436 1 605 . 1 1 166 166 THR H H 1 8.646 0.001 . 1 . . . . 166 T HN . 11436 1 606 . 1 1 166 166 THR CA C 13 65.456 0 . 1 . . . . 166 T CA . 11436 1 607 . 1 1 166 166 THR CB C 13 69.025 0 . 1 . . . . 166 T CB . 11436 1 608 . 1 1 166 166 THR N N 15 121.118 0.046 . 1 . . . . 166 T N . 11436 1 609 . 1 1 167 167 HIS H H 1 8.928 0.004 . 1 . . . . 167 H HN . 11436 1 610 . 1 1 167 167 HIS CA C 13 55.437 0.002 . 1 . . . . 167 H CA . 11436 1 611 . 1 1 167 167 HIS CB C 13 26.501 0.016 . 1 . . . . 167 H CB . 11436 1 612 . 1 1 167 167 HIS N N 15 117.504 0.035 . 1 . . . . 167 H N . 11436 1 613 . 1 1 168 168 ASP H H 1 8.948 0.002 . 1 . . . . 168 D HN . 11436 1 614 . 1 1 168 168 ASP CA C 13 55.453 0.056 . 1 . . . . 168 D CA . 11436 1 615 . 1 1 168 168 ASP CB C 13 39.699 0.008 . 1 . . . . 168 D CB . 11436 1 616 . 1 1 168 168 ASP N N 15 115.227 0 . 1 . . . . 168 D N . 11436 1 617 . 1 1 169 169 ASP H H 1 7.507 0.002 . 1 . . . . 169 D HN . 11436 1 618 . 1 1 169 169 ASP CA C 13 54.37 0.035 . 1 . . . . 169 D CA . 11436 1 619 . 1 1 169 169 ASP CB C 13 41.861 0.025 . 1 . . . . 169 D CB . 11436 1 620 . 1 1 169 169 ASP N N 15 117.262 0.056 . 1 . . . . 169 D N . 11436 1 621 . 1 1 170 170 TYR H H 1 8.023 0.002 . 1 . . . . 170 Y HN . 11436 1 622 . 1 1 170 170 TYR CA C 13 65.281 0.01 . 1 . . . . 170 Y CA . 11436 1 623 . 1 1 170 170 TYR CB C 13 40.616 0.027 . 1 . . . . 170 Y CB . 11436 1 624 . 1 1 170 170 TYR N N 15 119.882 0.052 . 1 . . . . 170 Y N . 11436 1 625 . 1 1 171 171 ALA H H 1 10.627 0.002 . 1 . . . . 171 A HN . 11436 1 626 . 1 1 171 171 ALA CA C 13 55.631 0.096 . 1 . . . . 171 A CA . 11436 1 627 . 1 1 171 171 ALA CB C 13 20.258 0.033 . 1 . . . . 171 A CB . 11436 1 628 . 1 1 171 171 ALA N N 15 121.588 0.029 . 1 . . . . 171 A N . 11436 1 629 . 1 1 172 172 ASN H H 1 10.465 0.001 . 1 . . . . 172 N HN . 11436 1 630 . 1 1 172 172 ASN CA C 13 59.101 0.039 . 1 . . . . 172 N CA . 11436 1 631 . 1 1 172 172 ASN CB C 13 39.863 0.053 . 1 . . . . 172 N CB . 11436 1 632 . 1 1 172 172 ASN N N 15 119.926 0.038 . 1 . . . . 172 N N . 11436 1 633 . 1 1 173 173 ASP H H 1 8.929 0.002 . 1 . . . . 173 D HN . 11436 1 634 . 1 1 173 173 ASP CA C 13 57.296 0.054 . 1 . . . . 173 D CA . 11436 1 635 . 1 1 173 173 ASP CB C 13 40.078 0.007 . 1 . . . . 173 D CB . 11436 1 636 . 1 1 173 173 ASP N N 15 121.883 0.038 . 1 . . . . 173 D N . 11436 1 637 . 1 1 174 174 VAL H H 1 8.648 0.002 . 1 . . . . 174 V HN . 11436 1 638 . 1 1 174 174 VAL CA C 13 68.827 0.051 . 1 . . . . 174 V CA . 11436 1 639 . 1 1 174 174 VAL CB C 13 30.526 0.013 . 1 . . . . 174 V CB . 11436 1 640 . 1 1 174 174 VAL N N 15 118.934 0.037 . 1 . . . . 174 V N . 11436 1 641 . 1 1 175 175 VAL H H 1 9.18 0.001 . 1 . . . . 175 V HN . 11436 1 642 . 1 1 175 175 VAL CA C 13 67.465 0.01 . 1 . . . . 175 V CA . 11436 1 643 . 1 1 175 175 VAL CB C 13 31.376 0.025 . 1 . . . . 175 V CB . 11436 1 644 . 1 1 175 175 VAL N N 15 117.391 0.05 . 1 . . . . 175 V N . 11436 1 645 . 1 1 176 176 ALA H H 1 7.451 0.003 . 1 . . . . 176 A HN . 11436 1 646 . 1 1 176 176 ALA CA C 13 55.275 0.013 . 1 . . . . 176 A CA . 11436 1 647 . 1 1 176 176 ALA CB C 13 18.484 0.067 . 1 . . . . 176 A CB . 11436 1 648 . 1 1 176 176 ALA N N 15 121.259 0.054 . 1 . . . . 176 A N . 11436 1 649 . 1 1 177 177 ARG H H 1 8.668 0.007 . 1 . . . . 177 R HN . 11436 1 650 . 1 1 177 177 ARG CA C 13 60.187 0.033 . 1 . . . . 177 R CA . 11436 1 651 . 1 1 177 177 ARG CB C 13 29.948 0.039 . 1 . . . . 177 R CB . 11436 1 652 . 1 1 177 177 ARG N N 15 117.803 0.055 . 1 . . . . 177 R N . 11436 1 653 . 1 1 178 178 ALA H H 1 9.372 0.001 . 1 . . . . 178 A HN . 11436 1 654 . 1 1 178 178 ALA CA C 13 54.963 0.032 . 1 . . . . 178 A CA . 11436 1 655 . 1 1 178 178 ALA CB C 13 20.251 0.081 . 1 . . . . 178 A CB . 11436 1 656 . 1 1 178 178 ALA N N 15 121.652 0.038 . 1 . . . . 178 A N . 11436 1 657 . 1 1 179 179 GLN H H 1 8.464 0.003 . 1 . . . . 179 Q HN . 11436 1 658 . 1 1 179 179 GLN CA C 13 59.479 0.075 . 1 . . . . 179 Q CA . 11436 1 659 . 1 1 179 179 GLN CB C 13 27.168 0 . 1 . . . . 179 Q CB . 11436 1 660 . 1 1 179 179 GLN N N 15 116.712 0.088 . 1 . . . . 179 Q N . 11436 1 661 . 1 1 180 180 TYR H H 1 7.354 0.002 . 1 . . . . 180 Y HN . 11436 1 662 . 1 1 180 180 TYR CA C 13 62.703 0.034 . 1 . . . . 180 Y CA . 11436 1 663 . 1 1 180 180 TYR CB C 13 37.182 0.026 . 1 . . . . 180 Y CB . 11436 1 664 . 1 1 180 180 TYR N N 15 119.849 0.028 . 1 . . . . 180 Y N . 11436 1 665 . 1 1 181 181 TYR H H 1 8.485 0.002 . 1 . . . . 181 Y HN . 11436 1 666 . 1 1 181 181 TYR CA C 13 63.52 0.042 . 1 . . . . 181 Y CA . 11436 1 667 . 1 1 181 181 TYR CB C 13 35.183 0.03 . 1 . . . . 181 Y CB . 11436 1 668 . 1 1 181 181 TYR N N 15 121.733 0.066 . 1 . . . . 181 Y N . 11436 1 669 . 1 1 182 182 LYS H H 1 8.822 0.003 . 1 . . . . 182 K HN . 11436 1 670 . 1 1 182 182 LYS CA C 13 58.095 0.065 . 1 . . . . 182 K CA . 11436 1 671 . 1 1 182 182 LYS CB C 13 31.495 0.031 . 1 . . . . 182 K CB . 11436 1 672 . 1 1 182 182 LYS N N 15 123.511 0.055 . 1 . . . . 182 K N . 11436 1 673 . 1 1 183 183 GLN H H 1 7.339 0.001 . 1 . . . . 183 Q HN . 11436 1 674 . 1 1 183 183 GLN CA C 13 55.954 0.064 . 1 . . . . 183 Q CA . 11436 1 675 . 1 1 183 183 GLN CB C 13 28.696 0.025 . 1 . . . . 183 Q CB . 11436 1 676 . 1 1 183 183 GLN N N 15 115.78 0.052 . 1 . . . . 183 Q N . 11436 1 677 . 1 1 184 184 HIS H H 1 7.856 0.002 . 1 . . . . 184 H HN . 11436 1 678 . 1 1 184 184 HIS CA C 13 55.818 0.066 . 1 . . . . 184 H CA . 11436 1 679 . 1 1 184 184 HIS CB C 13 28.621 0 . 1 . . . . 184 H CB . 11436 1 680 . 1 1 184 184 HIS N N 15 117.315 0.049 . 1 . . . . 184 H N . 11436 1 681 . 1 1 185 185 GLY H H 1 7.936 0.003 . 1 . . . . 185 G HN . 11436 1 682 . 1 1 185 185 GLY CA C 13 46.518 0.024 . 1 . . . . 185 G CA . 11436 1 683 . 1 1 185 185 GLY N N 15 105.09 0.048 . 1 . . . . 185 G N . 11436 1 684 . 1 1 186 186 TYR H H 1 7.775 0.002 . 1 . . . . 186 Y HN . 11436 1 685 . 1 1 186 186 TYR CA C 13 61.779 0 . 1 . . . . 186 Y CA . 11436 1 686 . 1 1 186 186 TYR CB C 13 39.026 0 . 1 . . . . 186 Y CB . 11436 1 687 . 1 1 186 186 TYR N N 15 124.891 0.056 . 1 . . . . 186 Y N . 11436 1 stop_ save_