data_17935 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17935 _Entry.Title ; 1H, 13C, 15N assignment and secondary structure determination of GATase subunit of GMP Synthetase from Methanococcus jannaschii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-13 _Entry.Accession_date 2011-09-13 _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 'Backbone and side-chain sequence specific assignments' _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 Rustam Ali . . . 17935 2 Siddhartha Sarma . P. . 17935 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17935 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 17935 '15N chemical shifts' 185 17935 '1H chemical shifts' 857 17935 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 . . 2013-01-17 2011-09-13 update author 'update entry citation' 17935 1 . . 2011-12-20 2011-09-13 original author 'original release' 17935 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LXN 'BMRB Entry Tracking System' 17935 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17935 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22203461 _Citation.Full_citation . _Citation.Title '1H, 13C, 15N assignment and secondary structure determination of glutamine amido transferase subunit of gaunosine monophosphate synthetase from Methanocaldococcus jannaschii.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _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 193 _Citation.Page_last 196 _Citation.Year 2012 _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 Rustam Ali . . . 17935 1 2 Sanjeev Kumar . . . 17935 1 3 Hemalatha Balaram . . . 17935 1 4 Siddhartha Sarma . P. . 17935 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1H,13C, 15N assignment of GATase subunit' 17935 1 Amidotransferase. 17935 1 'Ammonia channeling' 17935 1 'de-novo purine nucleotide biosynthesis' 17935 1 'GATase subunit' 17935 1 'Glutaminase activity' 17935 1 GMPS 17935 1 M.jannaschii. 17935 1 NMR 17935 1 'Secondary structure determination of GATase subunit' 17935 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17935 _Assembly.ID 1 _Assembly.Name 'GATase subunit (monomer) of GMP Synthetase' _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 21019.9 _Assembly.Enzyme_commission_number 'EC 6.3.4.1' _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 'GATase subunit' 1 $GATase_subunit A . yes native no no . 'Glutaminase activity' . 17935 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Glutaminase activity' 17935 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GATase_subunit _Entity.Sf_category entity _Entity.Sf_framecode GATase_subunit _Entity.Entry_ID 17935 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GATase_subunit _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 ; MIVILDNGGQYVHRIHRSLK YIGVSSKIVPNTTPLEEIES NKEVKGIILSGGPDIEKAKN CIDIALNAKLPILGICLGHQ LIALAYGGEVGRAEAEEYAL TKVYVDKENDLFKNVPREFN AWASHKDEVKKVPEGFEILA HSDICQVEAMKHKTKPIYGV QFHPEVAHTEYGNEILKNFC KVCGYKFE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'M1, I2....' _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 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'GATase subunit of GMP synthetase' _Entity.Mutation . _Entity.EC_number 'EC 6.3.4.1' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21020.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LXN . "Solution Nmr Structure Of Glutamine Amido Transferase Subunit Of Gaunosine Monophosphate Synthetase From Methanocaldococcus Jan" . . . . . 100.00 188 100.00 100.00 2.60e-133 . . . . 17935 1 2 no GB AAB99597 . "GMP synthase (guaA) [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 188 100.00 100.00 2.60e-133 . . . . 17935 1 3 no SP Q58970 . "RecName: Full=GMP synthase [glutamine-hydrolyzing] subunit A; AltName: Full=Glutamine amidotransferase" . . . . . 100.00 188 100.00 100.00 2.60e-133 . . . . 17935 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Glutaminase activity' 17935 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17935 1 2 . ILE . 17935 1 3 . VAL . 17935 1 4 . ILE . 17935 1 5 . LEU . 17935 1 6 . ASP . 17935 1 7 . ASN . 17935 1 8 . GLY . 17935 1 9 . GLY . 17935 1 10 . GLN . 17935 1 11 . TYR . 17935 1 12 . VAL . 17935 1 13 . HIS . 17935 1 14 . ARG . 17935 1 15 . ILE . 17935 1 16 . HIS . 17935 1 17 . ARG . 17935 1 18 . SER . 17935 1 19 . LEU . 17935 1 20 . LYS . 17935 1 21 . TYR . 17935 1 22 . ILE . 17935 1 23 . GLY . 17935 1 24 . VAL . 17935 1 25 . SER . 17935 1 26 . SER . 17935 1 27 . LYS . 17935 1 28 . ILE . 17935 1 29 . VAL . 17935 1 30 . PRO . 17935 1 31 . ASN . 17935 1 32 . THR . 17935 1 33 . THR . 17935 1 34 . PRO . 17935 1 35 . LEU . 17935 1 36 . GLU . 17935 1 37 . GLU . 17935 1 38 . ILE . 17935 1 39 . GLU . 17935 1 40 . SER . 17935 1 41 . ASN . 17935 1 42 . LYS . 17935 1 43 . GLU . 17935 1 44 . VAL . 17935 1 45 . LYS . 17935 1 46 . GLY . 17935 1 47 . ILE . 17935 1 48 . ILE . 17935 1 49 . LEU . 17935 1 50 . SER . 17935 1 51 . GLY . 17935 1 52 . GLY . 17935 1 53 . PRO . 17935 1 54 . ASP . 17935 1 55 . ILE . 17935 1 56 . GLU . 17935 1 57 . LYS . 17935 1 58 . ALA . 17935 1 59 . LYS . 17935 1 60 . ASN . 17935 1 61 . CYS . 17935 1 62 . ILE . 17935 1 63 . ASP . 17935 1 64 . ILE . 17935 1 65 . ALA . 17935 1 66 . LEU . 17935 1 67 . ASN . 17935 1 68 . ALA . 17935 1 69 . LYS . 17935 1 70 . LEU . 17935 1 71 . PRO . 17935 1 72 . ILE . 17935 1 73 . LEU . 17935 1 74 . GLY . 17935 1 75 . ILE . 17935 1 76 . CYS . 17935 1 77 . LEU . 17935 1 78 . GLY . 17935 1 79 . HIS . 17935 1 80 . GLN . 17935 1 81 . LEU . 17935 1 82 . ILE . 17935 1 83 . ALA . 17935 1 84 . LEU . 17935 1 85 . ALA . 17935 1 86 . TYR . 17935 1 87 . GLY . 17935 1 88 . GLY . 17935 1 89 . GLU . 17935 1 90 . VAL . 17935 1 91 . GLY . 17935 1 92 . ARG . 17935 1 93 . ALA . 17935 1 94 . GLU . 17935 1 95 . ALA . 17935 1 96 . GLU . 17935 1 97 . GLU . 17935 1 98 . TYR . 17935 1 99 . ALA . 17935 1 100 . LEU . 17935 1 101 . THR . 17935 1 102 . LYS . 17935 1 103 . VAL . 17935 1 104 . TYR . 17935 1 105 . VAL . 17935 1 106 . ASP . 17935 1 107 . LYS . 17935 1 108 . GLU . 17935 1 109 . ASN . 17935 1 110 . ASP . 17935 1 111 . LEU . 17935 1 112 . PHE . 17935 1 113 . LYS . 17935 1 114 . ASN . 17935 1 115 . VAL . 17935 1 116 . PRO . 17935 1 117 . ARG . 17935 1 118 . GLU . 17935 1 119 . PHE . 17935 1 120 . ASN . 17935 1 121 . ALA . 17935 1 122 . TRP . 17935 1 123 . ALA . 17935 1 124 . SER . 17935 1 125 . HIS . 17935 1 126 . LYS . 17935 1 127 . ASP . 17935 1 128 . GLU . 17935 1 129 . VAL . 17935 1 130 . LYS . 17935 1 131 . LYS . 17935 1 132 . VAL . 17935 1 133 . PRO . 17935 1 134 . GLU . 17935 1 135 . GLY . 17935 1 136 . PHE . 17935 1 137 . GLU . 17935 1 138 . ILE . 17935 1 139 . LEU . 17935 1 140 . ALA . 17935 1 141 . HIS . 17935 1 142 . SER . 17935 1 143 . ASP . 17935 1 144 . ILE . 17935 1 145 . CYS . 17935 1 146 . GLN . 17935 1 147 . VAL . 17935 1 148 . GLU . 17935 1 149 . ALA . 17935 1 150 . MET . 17935 1 151 . LYS . 17935 1 152 . HIS . 17935 1 153 . LYS . 17935 1 154 . THR . 17935 1 155 . LYS . 17935 1 156 . PRO . 17935 1 157 . ILE . 17935 1 158 . TYR . 17935 1 159 . GLY . 17935 1 160 . VAL . 17935 1 161 . GLN . 17935 1 162 . PHE . 17935 1 163 . HIS . 17935 1 164 . PRO . 17935 1 165 . GLU . 17935 1 166 . VAL . 17935 1 167 . ALA . 17935 1 168 . HIS . 17935 1 169 . THR . 17935 1 170 . GLU . 17935 1 171 . TYR . 17935 1 172 . GLY . 17935 1 173 . ASN . 17935 1 174 . GLU . 17935 1 175 . ILE . 17935 1 176 . LEU . 17935 1 177 . LYS . 17935 1 178 . ASN . 17935 1 179 . PHE . 17935 1 180 . CYS . 17935 1 181 . LYS . 17935 1 182 . VAL . 17935 1 183 . CYS . 17935 1 184 . GLY . 17935 1 185 . TYR . 17935 1 186 . LYS . 17935 1 187 . PHE . 17935 1 188 . GLU . 17935 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17935 1 . ILE 2 2 17935 1 . VAL 3 3 17935 1 . ILE 4 4 17935 1 . LEU 5 5 17935 1 . ASP 6 6 17935 1 . ASN 7 7 17935 1 . GLY 8 8 17935 1 . GLY 9 9 17935 1 . GLN 10 10 17935 1 . TYR 11 11 17935 1 . VAL 12 12 17935 1 . HIS 13 13 17935 1 . ARG 14 14 17935 1 . ILE 15 15 17935 1 . HIS 16 16 17935 1 . ARG 17 17 17935 1 . SER 18 18 17935 1 . LEU 19 19 17935 1 . LYS 20 20 17935 1 . TYR 21 21 17935 1 . ILE 22 22 17935 1 . GLY 23 23 17935 1 . VAL 24 24 17935 1 . SER 25 25 17935 1 . SER 26 26 17935 1 . LYS 27 27 17935 1 . ILE 28 28 17935 1 . VAL 29 29 17935 1 . PRO 30 30 17935 1 . ASN 31 31 17935 1 . THR 32 32 17935 1 . THR 33 33 17935 1 . PRO 34 34 17935 1 . LEU 35 35 17935 1 . GLU 36 36 17935 1 . GLU 37 37 17935 1 . ILE 38 38 17935 1 . GLU 39 39 17935 1 . SER 40 40 17935 1 . ASN 41 41 17935 1 . LYS 42 42 17935 1 . GLU 43 43 17935 1 . VAL 44 44 17935 1 . LYS 45 45 17935 1 . GLY 46 46 17935 1 . ILE 47 47 17935 1 . ILE 48 48 17935 1 . LEU 49 49 17935 1 . SER 50 50 17935 1 . GLY 51 51 17935 1 . GLY 52 52 17935 1 . PRO 53 53 17935 1 . ASP 54 54 17935 1 . ILE 55 55 17935 1 . GLU 56 56 17935 1 . LYS 57 57 17935 1 . ALA 58 58 17935 1 . LYS 59 59 17935 1 . ASN 60 60 17935 1 . CYS 61 61 17935 1 . ILE 62 62 17935 1 . ASP 63 63 17935 1 . ILE 64 64 17935 1 . ALA 65 65 17935 1 . LEU 66 66 17935 1 . ASN 67 67 17935 1 . ALA 68 68 17935 1 . LYS 69 69 17935 1 . LEU 70 70 17935 1 . PRO 71 71 17935 1 . ILE 72 72 17935 1 . LEU 73 73 17935 1 . GLY 74 74 17935 1 . ILE 75 75 17935 1 . CYS 76 76 17935 1 . LEU 77 77 17935 1 . GLY 78 78 17935 1 . HIS 79 79 17935 1 . GLN 80 80 17935 1 . LEU 81 81 17935 1 . ILE 82 82 17935 1 . ALA 83 83 17935 1 . LEU 84 84 17935 1 . ALA 85 85 17935 1 . TYR 86 86 17935 1 . GLY 87 87 17935 1 . GLY 88 88 17935 1 . GLU 89 89 17935 1 . VAL 90 90 17935 1 . GLY 91 91 17935 1 . ARG 92 92 17935 1 . ALA 93 93 17935 1 . GLU 94 94 17935 1 . ALA 95 95 17935 1 . GLU 96 96 17935 1 . GLU 97 97 17935 1 . TYR 98 98 17935 1 . ALA 99 99 17935 1 . LEU 100 100 17935 1 . THR 101 101 17935 1 . LYS 102 102 17935 1 . VAL 103 103 17935 1 . TYR 104 104 17935 1 . VAL 105 105 17935 1 . ASP 106 106 17935 1 . LYS 107 107 17935 1 . GLU 108 108 17935 1 . ASN 109 109 17935 1 . ASP 110 110 17935 1 . LEU 111 111 17935 1 . PHE 112 112 17935 1 . LYS 113 113 17935 1 . ASN 114 114 17935 1 . VAL 115 115 17935 1 . PRO 116 116 17935 1 . ARG 117 117 17935 1 . GLU 118 118 17935 1 . PHE 119 119 17935 1 . ASN 120 120 17935 1 . ALA 121 121 17935 1 . TRP 122 122 17935 1 . ALA 123 123 17935 1 . SER 124 124 17935 1 . HIS 125 125 17935 1 . LYS 126 126 17935 1 . ASP 127 127 17935 1 . GLU 128 128 17935 1 . VAL 129 129 17935 1 . LYS 130 130 17935 1 . LYS 131 131 17935 1 . VAL 132 132 17935 1 . PRO 133 133 17935 1 . GLU 134 134 17935 1 . GLY 135 135 17935 1 . PHE 136 136 17935 1 . GLU 137 137 17935 1 . ILE 138 138 17935 1 . LEU 139 139 17935 1 . ALA 140 140 17935 1 . HIS 141 141 17935 1 . SER 142 142 17935 1 . ASP 143 143 17935 1 . ILE 144 144 17935 1 . CYS 145 145 17935 1 . GLN 146 146 17935 1 . VAL 147 147 17935 1 . GLU 148 148 17935 1 . ALA 149 149 17935 1 . MET 150 150 17935 1 . LYS 151 151 17935 1 . HIS 152 152 17935 1 . LYS 153 153 17935 1 . THR 154 154 17935 1 . LYS 155 155 17935 1 . PRO 156 156 17935 1 . ILE 157 157 17935 1 . TYR 158 158 17935 1 . GLY 159 159 17935 1 . VAL 160 160 17935 1 . GLN 161 161 17935 1 . PHE 162 162 17935 1 . HIS 163 163 17935 1 . PRO 164 164 17935 1 . GLU 165 165 17935 1 . VAL 166 166 17935 1 . ALA 167 167 17935 1 . HIS 168 168 17935 1 . THR 169 169 17935 1 . GLU 170 170 17935 1 . TYR 171 171 17935 1 . GLY 172 172 17935 1 . ASN 173 173 17935 1 . GLU 174 174 17935 1 . ILE 175 175 17935 1 . LEU 176 176 17935 1 . LYS 177 177 17935 1 . ASN 178 178 17935 1 . PHE 179 179 17935 1 . CYS 180 180 17935 1 . LYS 181 181 17935 1 . VAL 182 182 17935 1 . CYS 183 183 17935 1 . GLY 184 184 17935 1 . TYR 185 185 17935 1 . LYS 186 186 17935 1 . PHE 187 187 17935 1 . GLU 188 188 17935 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 17935 _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 $GATase_subunit . 2190 organism . 'Methanocaldococcus jannaschii' 'Methanococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 17935 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 17935 _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 $GATase_subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET3atr . . . . . . 17935 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17935 _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 'GATase subunit' '[U-99% 15N]' . . 1 $GATase_subunit . . 0.7 . . mM . . . . 17935 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17935 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17935 1 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 17935 1 5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17935 1 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 17935 1 7 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17935 1 8 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17935 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17935 _Sample.ID 2 _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 'GATase subunit' '[U-99% 13C; U-99% 15N]' . . 1 $GATase_subunit . . 0.6 . . mM . . . . 17935 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17935 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17935 2 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17935 2 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 17935 2 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17935 2 7 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 17935 2 8 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17935 2 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 17935 _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 7.0 . pH 17935 1 pressure 1 . atm 17935 1 temperature 303 . K 17935 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17935 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17935 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17935 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 17935 _Software.ID 2 _Software.Name CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17935 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17935 2 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 17935 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17935 _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 . 700 . . . 17935 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 17935 _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 . . . . . . . . . . . . . . . . 17935 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17935 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 17935 _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 external indirect 0.251449530 . . . . . . . . . 17935 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external indirect 1.000000000 . . . . . . . . . 17935 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 17935 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 17935 _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' . . . 17935 1 2 '2D 1H-13C HSQC' . . . 17935 1 3 '3D HNCA' . . . 17935 1 4 '3D HN(CO)CA' . . . 17935 1 5 '3D CBCA(CO)NH' . . . 17935 1 6 '3D HNCACB' . . . 17935 1 7 '3D 1H-15N NOESY' . . . 17935 1 8 '3D 1H-15N TOCSY' . . . 17935 1 9 '3D HNHA' . . . 17935 1 10 '3D HCCH-TOCSY' . . . 17935 1 11 '3D HCCH-COSY' . . . 17935 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 MET CA C 13 55.555 . . . . . . . 1 M CA . 17935 1 2 . 1 1 1 1 MET CB C 13 37.924 . . . . . . . 1 M CB . 17935 1 3 . 1 1 2 2 ILE H H 1 8.203 . . . . . . . 2 I H . 17935 1 4 . 1 1 2 2 ILE HA H 1 4.736 . . . . . . . 2 I HA . 17935 1 5 . 1 1 2 2 ILE HB H 1 1.724 . . . . . . . 2 I HB . 17935 1 6 . 1 1 2 2 ILE HG13 H 1 1.490 . . . . . . . 2 I HG13 . 17935 1 7 . 1 1 2 2 ILE HG21 H 1 1.175 . . . . . . . 2 I HG21 . 17935 1 8 . 1 1 2 2 ILE HG22 H 1 1.175 . . . . . . . 2 I HG22 . 17935 1 9 . 1 1 2 2 ILE HG23 H 1 1.175 . . . . . . . 2 I HG23 . 17935 1 10 . 1 1 2 2 ILE HD11 H 1 0.841 . . . . . . . 2 I HD11 . 17935 1 11 . 1 1 2 2 ILE HD12 H 1 0.841 . . . . . . . 2 I HD12 . 17935 1 12 . 1 1 2 2 ILE HD13 H 1 0.841 . . . . . . . 2 I HD13 . 17935 1 13 . 1 1 2 2 ILE CA C 13 57.766 . . . . . . . 2 I CA . 17935 1 14 . 1 1 2 2 ILE CB C 13 38.694 . . . . . . . 2 I CB . 17935 1 15 . 1 1 2 2 ILE CD1 C 13 11.693 . . . . . . . 2 I CD1 . 17935 1 16 . 1 1 2 2 ILE N N 15 126.193 . . . . . . . 2 I N . 17935 1 17 . 1 1 3 3 VAL H H 1 8.259 . . . . . . . 3 V H . 17935 1 18 . 1 1 3 3 VAL HA H 1 3.976 . . . . . . . 3 V HA . 17935 1 19 . 1 1 3 3 VAL HB H 1 1.837 . . . . . . . 3 V HB . 17935 1 20 . 1 1 3 3 VAL HG11 H 1 0.782 . . . . . . . 3 V HG11 . 17935 1 21 . 1 1 3 3 VAL HG12 H 1 0.782 . . . . . . . 3 V HG12 . 17935 1 22 . 1 1 3 3 VAL HG13 H 1 0.782 . . . . . . . 3 V HG13 . 17935 1 23 . 1 1 3 3 VAL HG21 H 1 0.992 . . . . . . . 3 V HG21 . 17935 1 24 . 1 1 3 3 VAL HG22 H 1 0.992 . . . . . . . 3 V HG22 . 17935 1 25 . 1 1 3 3 VAL HG23 H 1 0.992 . . . . . . . 3 V HG23 . 17935 1 26 . 1 1 3 3 VAL CA C 13 61.317 . . . . . . . 3 V CA . 17935 1 27 . 1 1 3 3 VAL CB C 13 33.333 . . . . . . . 3 V CB . 17935 1 28 . 1 1 3 3 VAL N N 15 124.879 . . . . . . . 3 V N . 17935 1 29 . 1 1 4 4 ILE H H 1 9.086 . . . . . . . 4 I H . 17935 1 30 . 1 1 4 4 ILE HA H 1 4.743 . . . . . . . 4 I HA . 17935 1 31 . 1 1 4 4 ILE HB H 1 1.700 . . . . . . . 4 I HB . 17935 1 32 . 1 1 4 4 ILE HG21 H 1 0.498 . . . . . . . 4 I HG21 . 17935 1 33 . 1 1 4 4 ILE HG22 H 1 0.498 . . . . . . . 4 I HG22 . 17935 1 34 . 1 1 4 4 ILE HG23 H 1 0.498 . . . . . . . 4 I HG23 . 17935 1 35 . 1 1 4 4 ILE CA C 13 59.283 . . . . . . . 4 I CA . 17935 1 36 . 1 1 4 4 ILE CB C 13 40.724 . . . . . . . 4 I CB . 17935 1 37 . 1 1 4 4 ILE CG2 C 13 16.830 . . . . . . . 4 I CG2 . 17935 1 38 . 1 1 4 4 ILE N N 15 127.830 . . . . . . . 4 I N . 17935 1 39 . 1 1 5 5 LEU H H 1 9.285 . . . . . . . 5 L H . 17935 1 40 . 1 1 5 5 LEU HA H 1 4.461 . . . . . . . 5 L HA . 17935 1 41 . 1 1 5 5 LEU HB3 H 1 1.630 . . . . . . . 5 L HB3 . 17935 1 42 . 1 1 5 5 LEU HD11 H 1 0.795 . . . . . . . 5 L HD11 . 17935 1 43 . 1 1 5 5 LEU HD12 H 1 0.795 . . . . . . . 5 L HD12 . 17935 1 44 . 1 1 5 5 LEU HD13 H 1 0.795 . . . . . . . 5 L HD13 . 17935 1 45 . 1 1 5 5 LEU CA C 13 55.077 . . . . . . . 5 L CA . 17935 1 46 . 1 1 5 5 LEU CB C 13 41.641 . . . . . . . 5 L CB . 17935 1 47 . 1 1 5 5 LEU CD1 C 13 25.478 . . . . . . . 5 L CD1 . 17935 1 48 . 1 1 5 5 LEU CD2 C 13 24.856 . . . . . . . 5 L CD2 . 17935 1 49 . 1 1 5 5 LEU N N 15 129.482 . . . . . . . 5 L N . 17935 1 50 . 1 1 6 6 ASP H H 1 8.476 . . . . . . . 6 D H . 17935 1 51 . 1 1 6 6 ASP HA H 1 4.081 . . . . . . . 6 D HA . 17935 1 52 . 1 1 6 6 ASP HB3 H 1 2.985 . . . . . . . 6 D HB3 . 17935 1 53 . 1 1 6 6 ASP CA C 13 53.130 . . . . . . . 6 D CA . 17935 1 54 . 1 1 6 6 ASP CB C 13 40.535 . . . . . . . 6 D CB . 17935 1 55 . 1 1 6 6 ASP N N 15 121.358 . . . . . . . 6 D N . 17935 1 56 . 1 1 7 7 ASN H H 1 9.195 . . . . . . . 7 N H . 17935 1 57 . 1 1 7 7 ASN HD21 H 1 6.999 . . . . . . . 7 N HD21 . 17935 1 58 . 1 1 7 7 ASN HD22 H 1 7.565 . . . . . . . 7 N HD22 . 17935 1 59 . 1 1 7 7 ASN CA C 13 53.118 . . . . . . . 7 N CA . 17935 1 60 . 1 1 7 7 ASN CB C 13 38.292 . . . . . . . 7 N CB . 17935 1 61 . 1 1 7 7 ASN N N 15 124.294 . . . . . . . 7 N N . 17935 1 62 . 1 1 7 7 ASN ND2 N 15 110.634 . . . . . . . 7 N ND2 . 17935 1 63 . 1 1 8 8 GLY H H 1 9.224 . . . . . . . 8 G H . 17935 1 64 . 1 1 8 8 GLY CA C 13 46.359 . . . . . . . 8 G CA . 17935 1 65 . 1 1 8 8 GLY N N 15 108.557 . . . . . . . 8 G N . 17935 1 66 . 1 1 9 9 GLY H H 1 7.540 . . . . . . . 9 G H . 17935 1 67 . 1 1 9 9 GLY CA C 13 44.910 . . . . . . . 9 G CA . 17935 1 68 . 1 1 9 9 GLY N N 15 106.753 . . . . . . . 9 G N . 17935 1 69 . 1 1 10 10 GLN H H 1 7.257 . . . . . . . 10 Q H . 17935 1 70 . 1 1 10 10 GLN N N 15 117.114 . . . . . . . 10 Q N . 17935 1 71 . 1 1 11 11 TYR CA C 13 56.165 . . . . . . . 11 Y CA . 17935 1 72 . 1 1 11 11 TYR CB C 13 38.250 . . . . . . . 11 Y CB . 17935 1 73 . 1 1 12 12 VAL H H 1 7.063 . . . . . . . 12 V H . 17935 1 74 . 1 1 12 12 VAL HA H 1 3.550 . . . . . . . 12 V HA . 17935 1 75 . 1 1 12 12 VAL HB H 1 2.089 . . . . . . . 12 V HB . 17935 1 76 . 1 1 12 12 VAL HG21 H 1 0.834 . . . . . . . 12 V HG21 . 17935 1 77 . 1 1 12 12 VAL HG22 H 1 0.834 . . . . . . . 12 V HG22 . 17935 1 78 . 1 1 12 12 VAL HG23 H 1 0.834 . . . . . . . 12 V HG23 . 17935 1 79 . 1 1 12 12 VAL CA C 13 67.683 . . . . . . . 12 V CA . 17935 1 80 . 1 1 12 12 VAL CB C 13 31.676 . . . . . . . 12 V CB . 17935 1 81 . 1 1 12 12 VAL CG2 C 13 21.293 . . . . . . . 12 V CG2 . 17935 1 82 . 1 1 12 12 VAL N N 15 121.672 . . . . . . . 12 V N . 17935 1 83 . 1 1 13 13 HIS H H 1 8.621 . . . . . . . 13 H H . 17935 1 84 . 1 1 13 13 HIS CA C 13 59.987 . . . . . . . 13 H CA . 17935 1 85 . 1 1 13 13 HIS CB C 13 29.795 . . . . . . . 13 H CB . 17935 1 86 . 1 1 13 13 HIS N N 15 116.813 . . . . . . . 13 H N . 17935 1 87 . 1 1 14 14 ARG H H 1 7.622 . . . . . . . 14 R H . 17935 1 88 . 1 1 14 14 ARG HA H 1 3.951 . . . . . . . 14 R HA . 17935 1 89 . 1 1 14 14 ARG HB3 H 1 2.155 . . . . . . . 14 R HB3 . 17935 1 90 . 1 1 14 14 ARG HD2 H 1 3.217 . . . . . . . 14 R HE . 17935 1 91 . 1 1 14 14 ARG CA C 13 58.167 . . . . . . . 14 R CA . 17935 1 92 . 1 1 14 14 ARG CB C 13 28.113 . . . . . . . 14 R CB . 17935 1 93 . 1 1 14 14 ARG N N 15 118.479 . . . . . . . 14 R N . 17935 1 94 . 1 1 15 15 ILE H H 1 8.023 . . . . . . . 15 I H . 17935 1 95 . 1 1 15 15 ILE HA H 1 4.436 . . . . . . . 15 I HA . 17935 1 96 . 1 1 15 15 ILE HB H 1 1.849 . . . . . . . 15 I HB . 17935 1 97 . 1 1 15 15 ILE HG12 H 1 1.242 . . . . . . . 15 I HG12 . 17935 1 98 . 1 1 15 15 ILE HG13 H 1 1.242 . . . . . . . 15 I HG13 . 17935 1 99 . 1 1 15 15 ILE HG21 H 1 0.994 . . . . . . . 15 I HG21 . 17935 1 100 . 1 1 15 15 ILE HG22 H 1 0.994 . . . . . . . 15 I HG22 . 17935 1 101 . 1 1 15 15 ILE HG23 H 1 0.994 . . . . . . . 15 I HG23 . 17935 1 102 . 1 1 15 15 ILE HD11 H 1 0.990 . . . . . . . 15 I HD11 . 17935 1 103 . 1 1 15 15 ILE HD12 H 1 0.990 . . . . . . . 15 I HD12 . 17935 1 104 . 1 1 15 15 ILE HD13 H 1 0.990 . . . . . . . 15 I HD13 . 17935 1 105 . 1 1 15 15 ILE CA C 13 66.400 . . . . . . . 15 I CA . 17935 1 106 . 1 1 15 15 ILE CB C 13 38.233 . . . . . . . 15 I CB . 17935 1 107 . 1 1 15 15 ILE CG1 C 13 22.723 . . . . . . . 15 I CG1 . 17935 1 108 . 1 1 15 15 ILE CG2 C 13 14.025 . . . . . . . 15 I CG2 . 17935 1 109 . 1 1 15 15 ILE CD1 C 13 14.815 . . . . . . . 15 I CD1 . 17935 1 110 . 1 1 15 15 ILE N N 15 121.228 . . . . . . . 15 I N . 17935 1 111 . 1 1 16 16 HIS H H 1 6.557 . . . . . . . 16 H H . 17935 1 112 . 1 1 16 16 HIS HA H 1 4.185 . . . . . . . 16 H HA . 17935 1 113 . 1 1 16 16 HIS HB3 H 1 2.751 . . . . . . . 16 H HB3 . 17935 1 114 . 1 1 16 16 HIS CA C 13 59.251 . . . . . . . 16 H CA . 17935 1 115 . 1 1 16 16 HIS CB C 13 30.214 . . . . . . . 16 H CB . 17935 1 116 . 1 1 16 16 HIS N N 15 117.439 . . . . . . . 16 H N . 17935 1 117 . 1 1 17 17 ARG H H 1 8.217 . . . . . . . 17 R H . 17935 1 118 . 1 1 17 17 ARG CA C 13 59.550 . . . . . . . 17 R CA . 17935 1 119 . 1 1 17 17 ARG CB C 13 30.387 . . . . . . . 17 R CB . 17935 1 120 . 1 1 17 17 ARG N N 15 118.906 . . . . . . . 17 R N . 17935 1 121 . 1 1 18 18 SER H H 1 8.595 . . . . . . . 18 S H . 17935 1 122 . 1 1 18 18 SER HA H 1 4.217 . . . . . . . 18 S HA . 17935 1 123 . 1 1 18 18 SER HB2 H 1 3.843 . . . . . . . 18 S HB2 . 17935 1 124 . 1 1 18 18 SER HB3 H 1 3.803 . . . . . . . 18 S HB3 . 17935 1 125 . 1 1 18 18 SER CA C 13 62.952 . . . . . . . 18 S CA . 17935 1 126 . 1 1 18 18 SER CB C 13 63.730 . . . . . . . 18 S CB . 17935 1 127 . 1 1 18 18 SER N N 15 118.264 . . . . . . . 18 S N . 17935 1 128 . 1 1 19 19 LEU H H 1 7.761 . . . . . . . 19 L H . 17935 1 129 . 1 1 19 19 LEU HA H 1 3.821 . . . . . . . 19 L HA . 17935 1 130 . 1 1 19 19 LEU HB2 H 1 1.586 . . . . . . . 19 L HB2 . 17935 1 131 . 1 1 19 19 LEU HB3 H 1 1.779 . . . . . . . 19 L HB3 . 17935 1 132 . 1 1 19 19 LEU HD21 H 1 0.687 . . . . . . . 19 L HD21 . 17935 1 133 . 1 1 19 19 LEU HD22 H 1 0.687 . . . . . . . 19 L HD22 . 17935 1 134 . 1 1 19 19 LEU HD23 H 1 0.687 . . . . . . . 19 L HD23 . 17935 1 135 . 1 1 19 19 LEU CA C 13 57.41 . . . . . . . 19 L CA . 17935 1 136 . 1 1 19 19 LEU CB C 13 39.666 . . . . . . . 19 L CB . 17935 1 137 . 1 1 19 19 LEU N N 15 119.648 . . . . . . . 19 L N . 17935 1 138 . 1 1 20 20 LYS H H 1 7.791 . . . . . . . 20 K H . 17935 1 139 . 1 1 20 20 LYS HA H 1 3.750 . . . . . . . 20 K HA . 17935 1 140 . 1 1 20 20 LYS HB3 H 1 1.570 . . . . . . . 20 K HB3 . 17935 1 141 . 1 1 20 20 LYS HG3 H 1 1.269 . . . . . . . 20 K HG3 . 17935 1 142 . 1 1 20 20 LYS HE3 H 1 3.181 . . . . . . . 20 K HE3 . 17935 1 143 . 1 1 20 20 LYS HZ1 H 1 7.129 . . . . . . . 20 K HZ1 . 17935 1 144 . 1 1 20 20 LYS HZ2 H 1 7.129 . . . . . . . 20 K HZ2 . 17935 1 145 . 1 1 20 20 LYS HZ3 H 1 7.129 . . . . . . . 20 K HZ3 . 17935 1 146 . 1 1 20 20 LYS CA C 13 59.427 . . . . . . . 20 K CA . 17935 1 147 . 1 1 20 20 LYS CB C 13 31.821 . . . . . . . 20 K CB . 17935 1 148 . 1 1 20 20 LYS N N 15 120.869 . . . . . . . 20 K N . 17935 1 149 . 1 1 21 21 TYR H H 1 8.009 . . . . . . . 21 Y H . 17935 1 150 . 1 1 21 21 TYR HA H 1 4.183 . . . . . . . 21 Y HA . 17935 1 151 . 1 1 21 21 TYR HB3 H 1 3.226 . . . . . . . 21 Y HB3 . 17935 1 152 . 1 1 21 21 TYR HD1 H 1 7.066 . . . . . . . 21 Y HD* . 17935 1 153 . 1 1 21 21 TYR HD2 H 1 7.066 . . . . . . . 21 Y HD* . 17935 1 154 . 1 1 21 21 TYR HE1 H 1 6.591 . . . . . . . 21 Y HE* . 17935 1 155 . 1 1 21 21 TYR HE2 H 1 6.591 . . . . . . . 21 Y HE* . 17935 1 156 . 1 1 21 21 TYR CA C 13 60.935 . . . . . . . 21 Y CA . 17935 1 157 . 1 1 21 21 TYR CB C 13 37.907 . . . . . . . 21 Y CB . 17935 1 158 . 1 1 21 21 TYR N N 15 120.488 . . . . . . . 21 Y N . 17935 1 159 . 1 1 22 22 ILE H H 1 7.405 . . . . . . . 22 I H . 17935 1 160 . 1 1 22 22 ILE HA H 1 4.228 . . . . . . . 22 I HA . 17935 1 161 . 1 1 22 22 ILE HB H 1 2.068 . . . . . . . 22 I HB . 17935 1 162 . 1 1 22 22 ILE HG21 H 1 0.823 . . . . . . . 22 I HG21 . 17935 1 163 . 1 1 22 22 ILE HG22 H 1 0.823 . . . . . . . 22 I HG22 . 17935 1 164 . 1 1 22 22 ILE HG23 H 1 0.823 . . . . . . . 22 I HG23 . 17935 1 165 . 1 1 22 22 ILE CA C 13 61.942 . . . . . . . 22 I CA . 17935 1 166 . 1 1 22 22 ILE CB C 13 38.200 . . . . . . . 22 I CB . 17935 1 167 . 1 1 22 22 ILE CG1 C 13 27.549 . . . . . . . 22 I CG1 . 17935 1 168 . 1 1 22 22 ILE CD1 C 13 14.029 . . . . . . . 22 I CD1 . 17935 1 169 . 1 1 22 22 ILE N N 15 111.401 . . . . . . . 22 I N . 17935 1 170 . 1 1 23 23 GLY H H 1 7.738 . . . . . . . 23 G H . 17935 1 171 . 1 1 23 23 GLY HA2 H 1 3.667 . . . . . . . 23 G HA2 . 17935 1 172 . 1 1 23 23 GLY HA3 H 1 4.230 . . . . . . . 23 G HA3 . 17935 1 173 . 1 1 23 23 GLY CA C 13 45.537 . . . . . . . 23 G CA . 17935 1 174 . 1 1 23 23 GLY N N 15 108.408 . . . . . . . 23 G N . 17935 1 175 . 1 1 24 24 VAL H H 1 8.201 . . . . . . . 24 V H . 17935 1 176 . 1 1 24 24 VAL HA H 1 3.806 . . . . . . . 24 V HA . 17935 1 177 . 1 1 24 24 VAL HB H 1 2.031 . . . . . . . 24 V HB . 17935 1 178 . 1 1 24 24 VAL HG11 H 1 1.533 . . . . . . . 24 V HG11 . 17935 1 179 . 1 1 24 24 VAL HG12 H 1 1.533 . . . . . . . 24 V HG12 . 17935 1 180 . 1 1 24 24 VAL HG13 H 1 1.533 . . . . . . . 24 V HG13 . 17935 1 181 . 1 1 24 24 VAL HG21 H 1 0.478 . . . . . . . 24 V HG21 . 17935 1 182 . 1 1 24 24 VAL HG22 H 1 0.478 . . . . . . . 24 V HG22 . 17935 1 183 . 1 1 24 24 VAL HG23 H 1 0.478 . . . . . . . 24 V HG23 . 17935 1 184 . 1 1 24 24 VAL CA C 13 61.816 . . . . . . . 24 V CA . 17935 1 185 . 1 1 24 24 VAL CB C 13 33.933 . . . . . . . 24 V CB . 17935 1 186 . 1 1 24 24 VAL CG2 C 13 21.271 . . . . . . . 24 V CG2 . 17935 1 187 . 1 1 24 24 VAL N N 15 123.859 . . . . . . . 24 V N . 17935 1 188 . 1 1 25 25 SER H H 1 8.363 . . . . . . . 25 S H . 17935 1 189 . 1 1 25 25 SER HA H 1 4.391 . . . . . . . 25 S HA . 17935 1 190 . 1 1 25 25 SER HB2 H 1 3.872 . . . . . . . 25 S HB2 . 17935 1 191 . 1 1 25 25 SER HB3 H 1 3.881 . . . . . . . 25 S HB3 . 17935 1 192 . 1 1 25 25 SER CA C 13 58.595 . . . . . . . 25 S CA . 17935 1 193 . 1 1 25 25 SER CB C 13 64.035 . . . . . . . 25 S CB . 17935 1 194 . 1 1 25 25 SER N N 15 123.531 . . . . . . . 25 S N . 17935 1 195 . 1 1 26 26 SER H H 1 7.926 . . . . . . . 26 S H . 17935 1 196 . 1 1 26 26 SER HA H 1 5.658 . . . . . . . 26 S HA . 17935 1 197 . 1 1 26 26 SER HB2 H 1 3.771 . . . . . . . 26 S HB2 . 17935 1 198 . 1 1 26 26 SER HB3 H 1 3.785 . . . . . . . 26 S HB3 . 17935 1 199 . 1 1 26 26 SER CA C 13 57.708 . . . . . . . 26 S CA . 17935 1 200 . 1 1 26 26 SER CB C 13 67.924 . . . . . . . 26 S CB . 17935 1 201 . 1 1 26 26 SER N N 15 114.608 . . . . . . . 26 S N . 17935 1 202 . 1 1 27 27 LYS H H 1 8.252 . . . . . . . 27 K H . 17935 1 203 . 1 1 27 27 LYS HA H 1 4.659 . . . . . . . 27 K HA . 17935 1 204 . 1 1 27 27 LYS HG3 H 1 1.342 . . . . . . . 27 K HG3 . 17935 1 205 . 1 1 27 27 LYS CA C 13 54.863 . . . . . . . 27 K CA . 17935 1 206 . 1 1 27 27 LYS CB C 13 36.833 . . . . . . . 27 K CB . 17935 1 207 . 1 1 27 27 LYS N N 15 119.005 . . . . . . . 27 K N . 17935 1 208 . 1 1 28 28 ILE H H 1 8.677 . . . . . . . 28 I H . 17935 1 209 . 1 1 28 28 ILE HA H 1 4.745 . . . . . . . 28 I HA . 17935 1 210 . 1 1 28 28 ILE HB H 1 2.010 . . . . . . . 28 I HB . 17935 1 211 . 1 1 28 28 ILE HG12 H 1 1.580 . . . . . . . 28 I HG12 . 17935 1 212 . 1 1 28 28 ILE HG13 H 1 1.512 . . . . . . . 28 I HG13 . 17935 1 213 . 1 1 28 28 ILE HG21 H 1 0.782 . . . . . . . 28 I HG21 . 17935 1 214 . 1 1 28 28 ILE HG22 H 1 0.782 . . . . . . . 28 I HG22 . 17935 1 215 . 1 1 28 28 ILE HG23 H 1 0.782 . . . . . . . 28 I HG23 . 17935 1 216 . 1 1 28 28 ILE HD11 H 1 0.726 . . . . . . . 28 I HD11 . 17935 1 217 . 1 1 28 28 ILE HD12 H 1 0.726 . . . . . . . 28 I HD12 . 17935 1 218 . 1 1 28 28 ILE HD13 H 1 0.726 . . . . . . . 28 I HD13 . 17935 1 219 . 1 1 28 28 ILE CA C 13 61.102 . . . . . . . 28 I CA . 17935 1 220 . 1 1 28 28 ILE CB C 13 38.619 . . . . . . . 28 I CB . 17935 1 221 . 1 1 28 28 ILE CG2 C 13 15.420 . . . . . . . 28 I CG2 . 17935 1 222 . 1 1 28 28 ILE N N 15 126.252 . . . . . . . 28 I N . 17935 1 223 . 1 1 29 29 VAL H H 1 9.237 . . . . . . . 29 V H . 17935 1 224 . 1 1 29 29 VAL HA H 1 5.037 . . . . . . . 29 V HA . 17935 1 225 . 1 1 29 29 VAL HB H 1 2.370 . . . . . . . 29 V HB . 17935 1 226 . 1 1 29 29 VAL HG11 H 1 0.689 . . . . . . . 29 V HG11 . 17935 1 227 . 1 1 29 29 VAL HG12 H 1 0.689 . . . . . . . 29 V HG12 . 17935 1 228 . 1 1 29 29 VAL HG13 H 1 0.689 . . . . . . . 29 V HG13 . 17935 1 229 . 1 1 29 29 VAL HG21 H 1 0.832 . . . . . . . 29 V HG21 . 17935 1 230 . 1 1 29 29 VAL HG22 H 1 0.832 . . . . . . . 29 V HG22 . 17935 1 231 . 1 1 29 29 VAL HG23 H 1 0.832 . . . . . . . 29 V HG23 . 17935 1 232 . 1 1 29 29 VAL CA C 13 57.158 . . . . . . . 29 V CA . 17935 1 233 . 1 1 29 29 VAL CB C 13 32.642 . . . . . . . 29 V CB . 17935 1 234 . 1 1 29 29 VAL CG1 C 13 19.640 . . . . . . . 29 V CG1 . 17935 1 235 . 1 1 29 29 VAL CG2 C 13 21.284 . . . . . . . 29 V CG2 . 17935 1 236 . 1 1 29 29 VAL N N 15 122.783 . . . . . . . 29 V N . 17935 1 237 . 1 1 30 30 PRO HA H 1 3.941 . . . . . . . 30 P HA . 17935 1 238 . 1 1 30 30 PRO CA C 13 62.635 . . . . . . . 30 P CA . 17935 1 239 . 1 1 30 30 PRO CB C 13 32.780 . . . . . . . 30 P CB . 17935 1 240 . 1 1 30 30 PRO N N 15 111.914 . . . . . . . 30 P N . 17935 1 241 . 1 1 31 31 ASN H H 1 9.057 . . . . . . . 31 N H . 17935 1 242 . 1 1 31 31 ASN HA H 1 4.200 . . . . . . . 31 N HA . 17935 1 243 . 1 1 31 31 ASN HB2 H 1 2.055 . . . . . . . 31 N HB2 . 17935 1 244 . 1 1 31 31 ASN HB3 H 1 2.534 . . . . . . . 31 N HB3 . 17935 1 245 . 1 1 31 31 ASN HD21 H 1 6.603 . . . . . . . 31 N HD21 . 17935 1 246 . 1 1 31 31 ASN HD22 H 1 6.800 . . . . . . . 31 N HD22 . 17935 1 247 . 1 1 31 31 ASN CA C 13 53.978 . . . . . . . 31 N CA . 17935 1 248 . 1 1 31 31 ASN CB C 13 36.798 . . . . . . . 31 N CB . 17935 1 249 . 1 1 31 31 ASN N N 15 122.515 . . . . . . . 31 N N . 17935 1 250 . 1 1 31 31 ASN ND2 N 15 111.724 . . . . . . . 31 N ND2 . 17935 1 251 . 1 1 32 32 THR H H 1 7.036 . . . . . . . 32 T H . 17935 1 252 . 1 1 32 32 THR HA H 1 4.463 . . . . . . . 32 T HA . 17935 1 253 . 1 1 32 32 THR HB H 1 3.927 . . . . . . . 32 T HB . 17935 1 254 . 1 1 32 32 THR HG1 H 1 1.220 . . . . . . . 32 T HG1 . 17935 1 255 . 1 1 32 32 THR HG21 H 1 0.842 . . . . . . . 32 T HG21 . 17935 1 256 . 1 1 32 32 THR HG22 H 1 0.842 . . . . . . . 32 T HG22 . 17935 1 257 . 1 1 32 32 THR HG23 H 1 0.842 . . . . . . . 32 T HG23 . 17935 1 258 . 1 1 32 32 THR CA C 13 60.647 . . . . . . . 32 T CA . 17935 1 259 . 1 1 32 32 THR CB C 13 68.928 . . . . . . . 32 T CB . 17935 1 260 . 1 1 32 32 THR N N 15 106.596 . . . . . . . 32 T N . 17935 1 261 . 1 1 33 33 THR H H 1 7.500 . . . . . . . 33 T H . 17935 1 262 . 1 1 33 33 THR HA H 1 4.545 . . . . . . . 33 T HA . 17935 1 263 . 1 1 33 33 THR HB H 1 3.917 . . . . . . . 33 T HB . 17935 1 264 . 1 1 33 33 THR HG21 H 1 1.220 . . . . . . . 33 T HG1 . 17935 1 265 . 1 1 33 33 THR HG22 H 1 1.220 . . . . . . . 33 T HG1 . 17935 1 266 . 1 1 33 33 THR HG23 H 1 1.220 . . . . . . . 33 T HG1 . 17935 1 267 . 1 1 33 33 THR CA C 13 62.647 . . . . . . . 33 T CA . 17935 1 268 . 1 1 33 33 THR CB C 13 71.069 . . . . . . . 33 T CB . 17935 1 269 . 1 1 33 33 THR N N 15 122.480 . . . . . . . 33 T N . 17935 1 270 . 1 1 34 34 PRO HA H 1 4.244 . . . . . . . 34 P HA . 17935 1 271 . 1 1 34 34 PRO CA C 13 62.481 . . . . . . . 34 P CA . 17935 1 272 . 1 1 34 34 PRO CB C 13 33.042 . . . . . . . 34 P CB . 17935 1 273 . 1 1 34 34 PRO CD C 13 51.310 . . . . . . . 34 P CD . 17935 1 274 . 1 1 35 35 LEU H H 1 9.189 . . . . . . . 35 L H . 17935 1 275 . 1 1 35 35 LEU HA H 1 4.623 . . . . . . . 35 L HA . 17935 1 276 . 1 1 35 35 LEU HB2 H 1 1.514 . . . . . . . 35 L HB2 . 17935 1 277 . 1 1 35 35 LEU HB3 H 1 1.984 . . . . . . . 35 L HB3 . 17935 1 278 . 1 1 35 35 LEU HG H 1 1.534 . . . . . . . 35 L HG . 17935 1 279 . 1 1 35 35 LEU HD21 H 1 0.584 . . . . . . . 35 L HD21 . 17935 1 280 . 1 1 35 35 LEU HD22 H 1 0.584 . . . . . . . 35 L HD22 . 17935 1 281 . 1 1 35 35 LEU HD23 H 1 0.584 . . . . . . . 35 L HD23 . 17935 1 282 . 1 1 35 35 LEU CA C 13 58.179 . . . . . . . 35 L CA . 17935 1 283 . 1 1 35 35 LEU CB C 13 41.563 . . . . . . . 35 L CB . 17935 1 284 . 1 1 35 35 LEU CD2 C 13 23.718 . . . . . . . 35 L CD2 . 17935 1 285 . 1 1 35 35 LEU N N 15 124.807 . . . . . . . 35 L N . 17935 1 286 . 1 1 36 36 GLU H H 1 9.230 . . . . . . . 36 E H . 17935 1 287 . 1 1 36 36 GLU HA H 1 4.075 . . . . . . . 36 E HA . 17935 1 288 . 1 1 36 36 GLU HB2 H 1 2.227 . . . . . . . 36 E HB2 . 17935 1 289 . 1 1 36 36 GLU HB3 H 1 2.408 . . . . . . . 36 E HB3 . 17935 1 290 . 1 1 36 36 GLU CA C 13 59.487 . . . . . . . 36 E CA . 17935 1 291 . 1 1 36 36 GLU CB C 13 28.972 . . . . . . . 36 E CB . 17935 1 292 . 1 1 36 36 GLU N N 15 115.958 . . . . . . . 36 E N . 17935 1 293 . 1 1 37 37 GLU H H 1 7.287 . . . . . . . 37 E H . 17935 1 294 . 1 1 37 37 GLU HA H 1 4.054 . . . . . . . 37 E HA . 17935 1 295 . 1 1 37 37 GLU HB3 H 1 2.091 . . . . . . . 37 E HB3 . 17935 1 296 . 1 1 37 37 GLU CA C 13 58.475 . . . . . . . 37 E CA . 17935 1 297 . 1 1 37 37 GLU CB C 13 29.678 . . . . . . . 37 E CB . 17935 1 298 . 1 1 37 37 GLU N N 15 118.236 . . . . . . . 37 E N . 17935 1 299 . 1 1 38 38 ILE H H 1 7.491 . . . . . . . 38 I H . 17935 1 300 . 1 1 38 38 ILE HA H 1 3.706 . . . . . . . 38 I HA . 17935 1 301 . 1 1 38 38 ILE HB H 1 2.032 . . . . . . . 38 I HB . 17935 1 302 . 1 1 38 38 ILE HG13 H 1 1.505 . . . . . . . 38 I HG13 . 17935 1 303 . 1 1 38 38 ILE HD11 H 1 0.800 . . . . . . . 38 I HD11 . 17935 1 304 . 1 1 38 38 ILE HD12 H 1 0.800 . . . . . . . 38 I HD12 . 17935 1 305 . 1 1 38 38 ILE HD13 H 1 0.800 . . . . . . . 38 I HD13 . 17935 1 306 . 1 1 38 38 ILE CA C 13 65.619 . . . . . . . 38 I CA . 17935 1 307 . 1 1 38 38 ILE CB C 13 38.876 . . . . . . . 38 I CB . 17935 1 308 . 1 1 38 38 ILE CD1 C 13 15.682 . . . . . . . 38 I CD1 . 17935 1 309 . 1 1 38 38 ILE N N 15 120.781 . . . . . . . 38 I N . 17935 1 310 . 1 1 39 39 GLU H H 1 8.114 . . . . . . . 39 E H . 17935 1 311 . 1 1 39 39 GLU HA H 1 3.987 . . . . . . . 39 E HA . 17935 1 312 . 1 1 39 39 GLU CA C 13 58.903 . . . . . . . 39 E CA . 17935 1 313 . 1 1 39 39 GLU CB C 13 29.863 . . . . . . . 39 E CB . 17935 1 314 . 1 1 39 39 GLU N N 15 112.919 . . . . . . . 39 E N . 17935 1 315 . 1 1 40 40 SER H H 1 7.450 . . . . . . . 40 S H . 17935 1 316 . 1 1 40 40 SER HA H 1 4.146 . . . . . . . 40 S HA . 17935 1 317 . 1 1 40 40 SER CA C 13 60.00 . . . . . . . 40 S CA . 17935 1 318 . 1 1 40 40 SER CB C 13 63.336 . . . . . . . 40 S CB . 17935 1 319 . 1 1 40 40 SER N N 15 111.840 . . . . . . . 40 S N . 17935 1 320 . 1 1 41 41 ASN H H 1 7.168 . . . . . . . 41 N H . 17935 1 321 . 1 1 41 41 ASN HA H 1 4.792 . . . . . . . 41 N HA . 17935 1 322 . 1 1 41 41 ASN CA C 13 51.960 . . . . . . . 41 N CA . 17935 1 323 . 1 1 41 41 ASN CB C 13 38.161 . . . . . . . 41 N CB . 17935 1 324 . 1 1 41 41 ASN N N 15 120.122 . . . . . . . 41 N N . 17935 1 325 . 1 1 42 42 LYS H H 1 8.826 . . . . . . . 42 K H . 17935 1 326 . 1 1 42 42 LYS HA H 1 4.129 . . . . . . . 42 K HA . 17935 1 327 . 1 1 42 42 LYS HB2 H 1 1.842 . . . . . . . 42 K HB2 . 17935 1 328 . 1 1 42 42 LYS HB3 H 1 1.903 . . . . . . . 42 K HB3 . 17935 1 329 . 1 1 42 42 LYS HD2 H 1 1.565 . . . . . . . 42 K HD2 . 17935 1 330 . 1 1 42 42 LYS HD3 H 1 1.565 . . . . . . . 42 K HD3 . 17935 1 331 . 1 1 42 42 LYS CA C 13 57.173 . . . . . . . 42 K CA . 17935 1 332 . 1 1 42 42 LYS CB C 13 31.173 . . . . . . . 42 K CB . 17935 1 333 . 1 1 42 42 LYS N N 15 125.123 . . . . . . . 42 K N . 17935 1 334 . 1 1 43 43 GLU H H 1 8.232 . . . . . . . 43 E H . 17935 1 335 . 1 1 43 43 GLU HA H 1 4.134 . . . . . . . 43 E HA . 17935 1 336 . 1 1 43 43 GLU HB3 H 1 1.978 . . . . . . . 43 E HB3 . 17935 1 337 . 1 1 43 43 GLU HG3 H 1 2.554 . . . . . . . 43 E HG3 . 17935 1 338 . 1 1 43 43 GLU CA C 13 56.785 . . . . . . . 43 E CA . 17935 1 339 . 1 1 43 43 GLU CB C 13 30.338 . . . . . . . 43 E CB . 17935 1 340 . 1 1 43 43 GLU N N 15 116.780 . . . . . . . 43 E N . 17935 1 341 . 1 1 44 44 VAL H H 1 7.467 . . . . . . . 44 V H . 17935 1 342 . 1 1 44 44 VAL HA H 1 4.238 . . . . . . . 44 V HA . 17935 1 343 . 1 1 44 44 VAL HB H 1 2.251 . . . . . . . 44 V HB . 17935 1 344 . 1 1 44 44 VAL HG21 H 1 0.988 . . . . . . . 44 V HG21 . 17935 1 345 . 1 1 44 44 VAL HG22 H 1 0.988 . . . . . . . 44 V HG22 . 17935 1 346 . 1 1 44 44 VAL HG23 H 1 0.988 . . . . . . . 44 V HG23 . 17935 1 347 . 1 1 44 44 VAL CA C 13 63.623 . . . . . . . 44 V CA . 17935 1 348 . 1 1 44 44 VAL CB C 13 31.145 . . . . . . . 44 V CB . 17935 1 349 . 1 1 44 44 VAL N N 15 119.413 . . . . . . . 44 V N . 17935 1 350 . 1 1 45 45 LYS H H 1 9.197 . . . . . . . 45 K H . 17935 1 351 . 1 1 45 45 LYS HA H 1 5.263 . . . . . . . 45 K HA . 17935 1 352 . 1 1 45 45 LYS HE3 H 1 2.965 . . . . . . . 45 K HE3 . 17935 1 353 . 1 1 45 45 LYS CA C 13 55.140 . . . . . . . 45 K CA . 17935 1 354 . 1 1 45 45 LYS CB C 13 34.321 . . . . . . . 45 K CB . 17935 1 355 . 1 1 45 45 LYS N N 15 124.406 . . . . . . . 45 K N . 17935 1 356 . 1 1 46 46 GLY H H 1 7.531 . . . . . . . 46 G H . 17935 1 357 . 1 1 46 46 GLY CA C 13 45.788 . . . . . . . 46 G CA . 17935 1 358 . 1 1 46 46 GLY N N 15 103.662 . . . . . . . 46 G N . 17935 1 359 . 1 1 47 47 ILE H H 1 8.788 . . . . . . . 47 I H . 17935 1 360 . 1 1 47 47 ILE HA H 1 5.187 . . . . . . . 47 I HA . 17935 1 361 . 1 1 47 47 ILE HB H 1 1.696 . . . . . . . 47 I HB . 17935 1 362 . 1 1 47 47 ILE HG12 H 1 1.477 . . . . . . . 47 I HG12 . 17935 1 363 . 1 1 47 47 ILE HG13 H 1 1.692 . . . . . . . 47 I HG13 . 17935 1 364 . 1 1 47 47 ILE HG21 H 1 0.778 . . . . . . . 47 I HG21 . 17935 1 365 . 1 1 47 47 ILE HG22 H 1 0.778 . . . . . . . 47 I HG22 . 17935 1 366 . 1 1 47 47 ILE HG23 H 1 0.778 . . . . . . . 47 I HG23 . 17935 1 367 . 1 1 47 47 ILE HD11 H 1 0.692 . . . . . . . 47 I HD11 . 17935 1 368 . 1 1 47 47 ILE HD12 H 1 0.692 . . . . . . . 47 I HD12 . 17935 1 369 . 1 1 47 47 ILE HD13 H 1 0.692 . . . . . . . 47 I HD13 . 17935 1 370 . 1 1 47 47 ILE CA C 13 60.182 . . . . . . . 47 I CA . 17935 1 371 . 1 1 47 47 ILE CB C 13 42.581 . . . . . . . 47 I CB . 17935 1 372 . 1 1 47 47 ILE CG2 C 13 18.392 . . . . . . . 47 I CG2 . 17935 1 373 . 1 1 47 47 ILE CD1 C 13 14.136 . . . . . . . 47 I CD1 . 17935 1 374 . 1 1 47 47 ILE N N 15 119.903 . . . . . . . 47 I N . 17935 1 375 . 1 1 48 48 ILE H H 1 9.246 . . . . . . . 48 I H . 17935 1 376 . 1 1 48 48 ILE HA H 1 5.296 . . . . . . . 48 I HA . 17935 1 377 . 1 1 48 48 ILE HB H 1 1.562 . . . . . . . 48 I HB . 17935 1 378 . 1 1 48 48 ILE HG13 H 1 1.542 . . . . . . . 48 I HG13 . 17935 1 379 . 1 1 48 48 ILE HG21 H 1 0.735 . . . . . . . 48 I HG21 . 17935 1 380 . 1 1 48 48 ILE HG22 H 1 0.735 . . . . . . . 48 I HG22 . 17935 1 381 . 1 1 48 48 ILE HG23 H 1 0.735 . . . . . . . 48 I HG23 . 17935 1 382 . 1 1 48 48 ILE CA C 13 59.095 . . . . . . . 48 I CA . 17935 1 383 . 1 1 48 48 ILE CB C 13 41.390 . . . . . . . 48 I CB . 17935 1 384 . 1 1 48 48 ILE CG2 C 13 16.621 . . . . . . . 48 I CG2 . 17935 1 385 . 1 1 48 48 ILE N N 15 124.384 . . . . . . . 48 I N . 17935 1 386 . 1 1 49 49 LEU H H 1 9.235 . . . . . . . 49 L H . 17935 1 387 . 1 1 49 49 LEU HA H 1 4.795 . . . . . . . 49 L HA . 17935 1 388 . 1 1 49 49 LEU HB3 H 1 1.684 . . . . . . . 49 L HB3 . 17935 1 389 . 1 1 49 49 LEU CA C 13 52.793 . . . . . . . 49 L CA . 17935 1 390 . 1 1 49 49 LEU CB C 13 42.737 . . . . . . . 49 L CB . 17935 1 391 . 1 1 49 49 LEU N N 15 126.190 . . . . . . . 49 L N . 17935 1 392 . 1 1 50 50 SER H H 1 7.979 . . . . . . . 50 S H . 17935 1 393 . 1 1 50 50 SER CA C 13 60.061 . . . . . . . 50 S CA . 17935 1 394 . 1 1 50 50 SER CB C 13 66.609 . . . . . . . 50 S CB . 17935 1 395 . 1 1 50 50 SER N N 15 120.932 . . . . . . . 50 S N . 17935 1 396 . 1 1 51 51 GLY H H 1 9.180 . . . . . . . 51 G H . 17935 1 397 . 1 1 51 51 GLY CA C 13 46.001 . . . . . . . 51 G CA . 17935 1 398 . 1 1 51 51 GLY N N 15 105.259 . . . . . . . 51 G N . 17935 1 399 . 1 1 52 52 GLY H H 1 9.073 . . . . . . . 52 G H . 17935 1 400 . 1 1 52 52 GLY CA C 13 45.919 . . . . . . . 52 G CA . 17935 1 401 . 1 1 52 52 GLY N N 15 110.693 . . . . . . . 52 G N . 17935 1 402 . 1 1 53 53 PRO HA H 1 4.542 . . . . . . . 53 P HA . 17935 1 403 . 1 1 53 53 PRO HB3 H 1 2.381 . . . . . . . 53 P HB3 . 17935 1 404 . 1 1 53 53 PRO HG3 H 1 1.618 . . . . . . . 53 P HG3 . 17935 1 405 . 1 1 53 53 PRO HD3 H 1 3.799 . . . . . . . 53 P HD3 . 17935 1 406 . 1 1 53 53 PRO CA C 13 64.592 . . . . . . . 53 P CA . 17935 1 407 . 1 1 53 53 PRO CB C 13 32.995 . . . . . . . 53 P CB . 17935 1 408 . 1 1 54 54 ASP H H 1 8.012 . . . . . . . 54 D H . 17935 1 409 . 1 1 54 54 ASP HA H 1 4.994 . . . . . . . 54 D HA . 17935 1 410 . 1 1 54 54 ASP HB2 H 1 2.582 . . . . . . . 54 D HB2 . 17935 1 411 . 1 1 54 54 ASP HB3 H 1 2.646 . . . . . . . 54 D HB3 . 17935 1 412 . 1 1 54 54 ASP CA C 13 53.027 . . . . . . . 54 D CA . 17935 1 413 . 1 1 54 54 ASP CB C 13 43.775 . . . . . . . 54 D CB . 17935 1 414 . 1 1 54 54 ASP N N 15 119.166 . . . . . . . 54 D N . 17935 1 415 . 1 1 55 55 ILE H H 1 9.112 . . . . . . . 55 I H . 17935 1 416 . 1 1 55 55 ILE HA H 1 3.583 . . . . . . . 55 I HA . 17935 1 417 . 1 1 55 55 ILE HB H 1 1.810 . . . . . . . 55 I HB . 17935 1 418 . 1 1 55 55 ILE HG21 H 1 0.778 . . . . . . . 55 I HG21 . 17935 1 419 . 1 1 55 55 ILE HG22 H 1 0.778 . . . . . . . 55 I HG22 . 17935 1 420 . 1 1 55 55 ILE HG23 H 1 0.778 . . . . . . . 55 I HG23 . 17935 1 421 . 1 1 55 55 ILE CA C 13 64.657 . . . . . . . 55 I CA . 17935 1 422 . 1 1 55 55 ILE CB C 13 38.541 . . . . . . . 55 I CB . 17935 1 423 . 1 1 55 55 ILE N N 15 129.976 . . . . . . . 55 I N . 17935 1 424 . 1 1 56 56 GLU H H 1 8.201 . . . . . . . 56 E H . 17935 1 425 . 1 1 56 56 GLU HA H 1 4.018 . . . . . . . 56 E HA . 17935 1 426 . 1 1 56 56 GLU HB2 H 1 2.092 . . . . . . . 56 E HB2 . 17935 1 427 . 1 1 56 56 GLU HB3 H 1 2.081 . . . . . . . 56 E HB3 . 17935 1 428 . 1 1 56 56 GLU HG3 H 1 2.676 . . . . . . . 56 E HG3 . 17935 1 429 . 1 1 56 56 GLU CA C 13 58.515 . . . . . . . 56 E CA . 17935 1 430 . 1 1 56 56 GLU CB C 13 28.871 . . . . . . . 56 E CB . 17935 1 431 . 1 1 56 56 GLU N N 15 119.685 . . . . . . . 56 E N . 17935 1 432 . 1 1 57 57 LYS H H 1 7.352 . . . . . . . 57 K H . 17935 1 433 . 1 1 57 57 LYS HA H 1 4.321 . . . . . . . 57 K HA . 17935 1 434 . 1 1 57 57 LYS HB3 H 1 2.105 . . . . . . . 57 K HB3 . 17935 1 435 . 1 1 57 57 LYS HD3 H 1 1.611 . . . . . . . 57 K HD3 . 17935 1 436 . 1 1 57 57 LYS HE3 H 1 2.974 . . . . . . . 57 K HE3 . 17935 1 437 . 1 1 57 57 LYS CA C 13 56.318 . . . . . . . 57 K CA . 17935 1 438 . 1 1 57 57 LYS CB C 13 32.462 . . . . . . . 57 K CB . 17935 1 439 . 1 1 57 57 LYS N N 15 117.166 . . . . . . . 57 K N . 17935 1 440 . 1 1 58 58 ALA H H 1 7.319 . . . . . . . 58 A H . 17935 1 441 . 1 1 58 58 ALA HA H 1 4.102 . . . . . . . 58 A HA . 17935 1 442 . 1 1 58 58 ALA HB1 H 1 1.250 . . . . . . . 58 A HB1 . 17935 1 443 . 1 1 58 58 ALA HB2 H 1 1.250 . . . . . . . 58 A HB2 . 17935 1 444 . 1 1 58 58 ALA HB3 H 1 1.250 . . . . . . . 58 A HB3 . 17935 1 445 . 1 1 58 58 ALA CA C 13 51.350 . . . . . . . 58 A CA . 17935 1 446 . 1 1 58 58 ALA CB C 13 21.481 . . . . . . . 58 A CB . 17935 1 447 . 1 1 58 58 ALA N N 15 121.765 . . . . . . . 58 A N . 17935 1 448 . 1 1 59 59 LYS H H 1 7.641 . . . . . . . 59 K H . 17935 1 449 . 1 1 59 59 LYS HA H 1 3.873 . . . . . . . 59 K HA . 17935 1 450 . 1 1 59 59 LYS HG3 H 1 0.815 . . . . . . . 59 K HG3 . 17935 1 451 . 1 1 59 59 LYS CA C 13 60.102 . . . . . . . 59 K CA . 17935 1 452 . 1 1 59 59 LYS CB C 13 31.937 . . . . . . . 59 K CB . 17935 1 453 . 1 1 59 59 LYS N N 15 118.476 . . . . . . . 59 K N . 17935 1 454 . 1 1 60 60 ASN H H 1 8.818 . . . . . . . 60 N H . 17935 1 455 . 1 1 60 60 ASN HA H 1 4.577 . . . . . . . 60 N HA . 17935 1 456 . 1 1 60 60 ASN HB3 H 1 1.941 . . . . . . . 60 N HB3 . 17935 1 457 . 1 1 60 60 ASN HD21 H 1 7.621 . . . . . . . 60 N HD21 . 17935 1 458 . 1 1 60 60 ASN HD22 H 1 7.007 . . . . . . . 60 N HD22 . 17935 1 459 . 1 1 60 60 ASN CA C 13 56.527 . . . . . . . 60 N CA . 17935 1 460 . 1 1 60 60 ASN CB C 13 38.649 . . . . . . . 60 N CB . 17935 1 461 . 1 1 60 60 ASN N N 15 117.036 . . . . . . . 60 N N . 17935 1 462 . 1 1 60 60 ASN ND2 N 15 117.314 . . . . . . . 60 N ND2 . 17935 1 463 . 1 1 61 61 CYS H H 1 8.204 . . . . . . . 61 C H . 17935 1 464 . 1 1 61 61 CYS HA H 1 3.897 . . . . . . . 61 C HA . 17935 1 465 . 1 1 61 61 CYS CA C 13 62.659 . . . . . . . 61 C CA . 17935 1 466 . 1 1 61 61 CYS CB C 13 28.252 . . . . . . . 61 C CB . 17935 1 467 . 1 1 61 61 CYS N N 15 112.082 . . . . . . . 61 C N . 17935 1 468 . 1 1 62 62 ILE H H 1 7.704 . . . . . . . 62 I H . 17935 1 469 . 1 1 62 62 ILE HA H 1 3.446 . . . . . . . 62 I HA . 17935 1 470 . 1 1 62 62 ILE HB H 1 2.077 . . . . . . . 62 I HB . 17935 1 471 . 1 1 62 62 ILE HG13 H 1 1.537 . . . . . . . 62 I HG13 . 17935 1 472 . 1 1 62 62 ILE HG21 H 1 0.799 . . . . . . . 62 I HG21 . 17935 1 473 . 1 1 62 62 ILE HG22 H 1 0.799 . . . . . . . 62 I HG22 . 17935 1 474 . 1 1 62 62 ILE HG23 H 1 0.799 . . . . . . . 62 I HG23 . 17935 1 475 . 1 1 62 62 ILE CA C 13 64.984 . . . . . . . 62 I CA . 17935 1 476 . 1 1 62 62 ILE CB C 13 36.727 . . . . . . . 62 I CB . 17935 1 477 . 1 1 62 62 ILE CG1 C 13 28.244 . . . . . . . 62 I CG1 . 17935 1 478 . 1 1 62 62 ILE CG2 C 13 17.510 . . . . . . . 62 I CG2 . 17935 1 479 . 1 1 62 62 ILE N N 15 120.436 . . . . . . . 62 I N . 17935 1 480 . 1 1 63 63 ASP H H 1 6.969 . . . . . . . 63 D H . 17935 1 481 . 1 1 63 63 ASP HA H 1 4.246 . . . . . . . 63 D HA . 17935 1 482 . 1 1 63 63 ASP HB3 H 1 2.695 . . . . . . . 63 D HB3 . 17935 1 483 . 1 1 63 63 ASP CA C 13 57.778 . . . . . . . 63 D CA . 17935 1 484 . 1 1 63 63 ASP CB C 13 41.859 . . . . . . . 63 D CB . 17935 1 485 . 1 1 63 63 ASP N N 15 118.563 . . . . . . . 63 D N . 17935 1 486 . 1 1 64 64 ILE H H 1 7.302 . . . . . . . 64 I H . 17935 1 487 . 1 1 64 64 ILE HA H 1 3.588 . . . . . . . 64 I HA . 17935 1 488 . 1 1 64 64 ILE HB H 1 1.837 . . . . . . . 64 I HB . 17935 1 489 . 1 1 64 64 ILE HG21 H 1 0.836 . . . . . . . 64 I HG21 . 17935 1 490 . 1 1 64 64 ILE HG22 H 1 0.836 . . . . . . . 64 I HG22 . 17935 1 491 . 1 1 64 64 ILE HG23 H 1 0.836 . . . . . . . 64 I HG23 . 17935 1 492 . 1 1 64 64 ILE CA C 13 64.870 . . . . . . . 64 I CA . 17935 1 493 . 1 1 64 64 ILE CB C 13 37.713 . . . . . . . 64 I CB . 17935 1 494 . 1 1 64 64 ILE CG2 C 13 17.591 . . . . . . . 64 I CG2 . 17935 1 495 . 1 1 64 64 ILE N N 15 116.945 . . . . . . . 64 I N . 17935 1 496 . 1 1 65 65 ALA H H 1 8.206 . . . . . . . 65 A H . 17935 1 497 . 1 1 65 65 ALA HA H 1 4.088 . . . . . . . 65 A HA . 17935 1 498 . 1 1 65 65 ALA HB1 H 1 1.385 . . . . . . . 65 A HB1 . 17935 1 499 . 1 1 65 65 ALA HB2 H 1 1.385 . . . . . . . 65 A HB2 . 17935 1 500 . 1 1 65 65 ALA HB3 H 1 1.385 . . . . . . . 65 A HB3 . 17935 1 501 . 1 1 65 65 ALA CA C 13 54.734 . . . . . . . 65 A CA . 17935 1 502 . 1 1 65 65 ALA CB C 13 17.811 . . . . . . . 65 A CB . 17935 1 503 . 1 1 65 65 ALA N N 15 118.906 . . . . . . . 65 A N . 17935 1 504 . 1 1 66 66 LEU H H 1 8.012 . . . . . . . 66 L H . 17935 1 505 . 1 1 66 66 LEU HA H 1 3.954 . . . . . . . 66 L HA . 17935 1 506 . 1 1 66 66 LEU HD21 H 1 0.802 . . . . . . . 66 L HD21 . 17935 1 507 . 1 1 66 66 LEU HD22 H 1 0.802 . . . . . . . 66 L HD22 . 17935 1 508 . 1 1 66 66 LEU HD23 H 1 0.802 . . . . . . . 66 L HD23 . 17935 1 509 . 1 1 66 66 LEU CA C 13 57.414 . . . . . . . 66 L CA . 17935 1 510 . 1 1 66 66 LEU CB C 13 43.663 . . . . . . . 66 L CB . 17935 1 511 . 1 1 66 66 LEU N N 15 117.510 . . . . . . . 66 L N . 17935 1 512 . 1 1 67 67 ASN H H 1 7.683 . . . . . . . 67 N H . 17935 1 513 . 1 1 67 67 ASN HA H 1 4.916 . . . . . . . 67 N HA . 17935 1 514 . 1 1 67 67 ASN HB2 H 1 2.556 . . . . . . . 67 N HB2 . 17935 1 515 . 1 1 67 67 ASN HB3 H 1 1.939 . . . . . . . 67 N HB3 . 17935 1 516 . 1 1 67 67 ASN CA C 13 54.231 . . . . . . . 67 N CA . 17935 1 517 . 1 1 67 67 ASN CB C 13 40.679 . . . . . . . 67 N CB . 17935 1 518 . 1 1 67 67 ASN N N 15 112.132 . . . . . . . 67 N N . 17935 1 519 . 1 1 67 67 ASN ND2 N 15 112.569 . . . . . . . 67 N ND2 . 17935 1 520 . 1 1 68 68 ALA H H 1 8.570 . . . . . . . 68 A H . 17935 1 521 . 1 1 68 68 ALA HA H 1 4.351 . . . . . . . 68 A HA . 17935 1 522 . 1 1 68 68 ALA HB1 H 1 1.455 . . . . . . . 68 A HB1 . 17935 1 523 . 1 1 68 68 ALA HB2 H 1 1.455 . . . . . . . 68 A HB2 . 17935 1 524 . 1 1 68 68 ALA HB3 H 1 1.455 . . . . . . . 68 A HB3 . 17935 1 525 . 1 1 68 68 ALA CA C 13 53.773 . . . . . . . 68 A CA . 17935 1 526 . 1 1 68 68 ALA CB C 13 19.535 . . . . . . . 68 A CB . 17935 1 527 . 1 1 68 68 ALA N N 15 124.035 . . . . . . . 68 A N . 17935 1 528 . 1 1 69 69 LYS H H 1 10.608 . . . . . . . 69 K H . 17935 1 529 . 1 1 69 69 LYS HA H 1 4.516 . . . . . . . 69 K HA . 17935 1 530 . 1 1 69 69 LYS HG3 H 1 0.813 . . . . . . . 69 K HG3 . 17935 1 531 . 1 1 69 69 LYS HZ1 H 1 6.975 . . . . . . . 69 K HZ1 . 17935 1 532 . 1 1 69 69 LYS HZ2 H 1 6.975 . . . . . . . 69 K HZ2 . 17935 1 533 . 1 1 69 69 LYS HZ3 H 1 6.975 . . . . . . . 69 K HZ3 . 17935 1 534 . 1 1 69 69 LYS CA C 13 55.504 . . . . . . . 69 K CA . 17935 1 535 . 1 1 69 69 LYS CB C 13 32.350 . . . . . . . 69 K CB . 17935 1 536 . 1 1 69 69 LYS N N 15 123.656 . . . . . . . 69 K N . 17935 1 537 . 1 1 70 70 LEU H H 1 6.643 . . . . . . . 70 L H . 17935 1 538 . 1 1 70 70 LEU HA H 1 4.485 . . . . . . . 70 L HA . 17935 1 539 . 1 1 70 70 LEU HB2 H 1 1.450 . . . . . . . 70 L HB2 . 17935 1 540 . 1 1 70 70 LEU HB3 H 1 1.456 . . . . . . . 70 L HB3 . 17935 1 541 . 1 1 70 70 LEU HG H 1 1.276 . . . . . . . 70 L HG . 17935 1 542 . 1 1 70 70 LEU HD21 H 1 1.452 . . . . . . . 70 L HD21 . 17935 1 543 . 1 1 70 70 LEU HD22 H 1 1.452 . . . . . . . 70 L HD22 . 17935 1 544 . 1 1 70 70 LEU HD23 H 1 1.452 . . . . . . . 70 L HD23 . 17935 1 545 . 1 1 70 70 LEU CA C 13 52.034 . . . . . . . 70 L CA . 17935 1 546 . 1 1 70 70 LEU CB C 13 44.896 . . . . . . . 70 L CB . 17935 1 547 . 1 1 70 70 LEU N N 15 120.568 . . . . . . . 70 L N . 17935 1 548 . 1 1 71 71 PRO HA H 1 5.121 . . . . . . . 71 P HA . 17935 1 549 . 1 1 71 71 PRO HB3 H 1 2.396 . . . . . . . 71 P HB3 . 17935 1 550 . 1 1 71 71 PRO HG3 H 1 1.760 . . . . . . . 71 P HG3 . 17935 1 551 . 1 1 71 71 PRO HD3 H 1 3.551 . . . . . . . 71 P HD3 . 17935 1 552 . 1 1 71 71 PRO CA C 13 62.944 . . . . . . . 71 P CA . 17935 1 553 . 1 1 71 71 PRO CB C 13 33.535 . . . . . . . 71 P CB . 17935 1 554 . 1 1 72 72 ILE H H 1 8.740 . . . . . . . 72 I H . 17935 1 555 . 1 1 72 72 ILE HA H 1 5.548 . . . . . . . 72 I HA . 17935 1 556 . 1 1 72 72 ILE HB H 1 1.903 . . . . . . . 72 I HB . 17935 1 557 . 1 1 72 72 ILE HG21 H 1 0.854 . . . . . . . 72 I HG21 . 17935 1 558 . 1 1 72 72 ILE HG22 H 1 0.854 . . . . . . . 72 I HG22 . 17935 1 559 . 1 1 72 72 ILE HG23 H 1 0.854 . . . . . . . 72 I HG23 . 17935 1 560 . 1 1 72 72 ILE CA C 13 59.183 . . . . . . . 72 I CA . 17935 1 561 . 1 1 72 72 ILE CB C 13 43.938 . . . . . . . 72 I CB . 17935 1 562 . 1 1 72 72 ILE CG2 C 13 16.914 . . . . . . . 72 I CG2 . 17935 1 563 . 1 1 72 72 ILE N N 15 120.135 . . . . . . . 72 I N . 17935 1 564 . 1 1 73 73 LEU H H 1 8.329 . . . . . . . 73 L H . 17935 1 565 . 1 1 73 73 LEU HA H 1 5.217 . . . . . . . 73 L HA . 17935 1 566 . 1 1 73 73 LEU HB3 H 1 1.727 . . . . . . . 73 L HB3 . 17935 1 567 . 1 1 73 73 LEU HD21 H 1 0.855 . . . . . . . 73 L HD22 . 17935 1 568 . 1 1 73 73 LEU HD22 H 1 0.855 . . . . . . . 73 L HD22 . 17935 1 569 . 1 1 73 73 LEU HD23 H 1 0.855 . . . . . . . 73 L HD23 . 17935 1 570 . 1 1 73 73 LEU CA C 13 53.674 . . . . . . . 73 L CA . 17935 1 571 . 1 1 73 73 LEU CB C 13 42.632 . . . . . . . 73 L CB . 17935 1 572 . 1 1 73 73 LEU CD1 C 13 20.041 . . . . . . . 73 L CD1 . 17935 1 573 . 1 1 73 73 LEU CD2 C 13 23.584 . . . . . . . 73 L CD2 . 17935 1 574 . 1 1 73 73 LEU N N 15 127.624 . . . . . . . 73 L N . 17935 1 575 . 1 1 74 74 GLY H H 1 9.604 . . . . . . . 74 G H . 17935 1 576 . 1 1 74 74 GLY CA C 13 43.919 . . . . . . . 74 G CA . 17935 1 577 . 1 1 74 74 GLY N N 15 114.523 . . . . . . . 74 G N . 17935 1 578 . 1 1 75 75 ILE H H 1 8.297 . . . . . . . 75 I H . 17935 1 579 . 1 1 75 75 ILE HA H 1 4.470 . . . . . . . 75 I HA . 17935 1 580 . 1 1 75 75 ILE HB H 1 1.582 . . . . . . . 75 I HB . 17935 1 581 . 1 1 75 75 ILE HG13 H 1 1.604 . . . . . . . 75 I HG13 . 17935 1 582 . 1 1 75 75 ILE HG21 H 1 0.838 . . . . . . . 75 I HG21 . 17935 1 583 . 1 1 75 75 ILE HG22 H 1 0.838 . . . . . . . 75 I HG22 . 17935 1 584 . 1 1 75 75 ILE HG23 H 1 0.838 . . . . . . . 75 I HG23 . 17935 1 585 . 1 1 75 75 ILE HD11 H 1 1.002 . . . . . . . 75 I HD11 . 17935 1 586 . 1 1 75 75 ILE HD12 H 1 1.002 . . . . . . . 75 I HD12 . 17935 1 587 . 1 1 75 75 ILE HD13 H 1 1.002 . . . . . . . 75 I HD13 . 17935 1 588 . 1 1 75 75 ILE CA C 13 61.383 . . . . . . . 75 I CA . 17935 1 589 . 1 1 75 75 ILE CB C 13 41.548 . . . . . . . 75 I CB . 17935 1 590 . 1 1 75 75 ILE N N 15 125.900 . . . . . . . 75 I N . 17935 1 591 . 1 1 76 76 CYS H H 1 9.792 . . . . . . . 76 C H . 17935 1 592 . 1 1 76 76 CYS CA C 13 65.256 . . . . . . . 76 C CA . 17935 1 593 . 1 1 76 76 CYS CB C 13 26.377 . . . . . . . 76 C CB . 17935 1 594 . 1 1 76 76 CYS N N 15 129.101 . . . . . . . 76 C N . 17935 1 595 . 1 1 77 77 LEU H H 1 8.569 . . . . . . . 77 L H . 17935 1 596 . 1 1 77 77 LEU HD21 H 1 0.842 . . . . . . . 77 L HD21 . 17935 1 597 . 1 1 77 77 LEU HD22 H 1 0.842 . . . . . . . 77 L HD22 . 17935 1 598 . 1 1 77 77 LEU HD23 H 1 0.842 . . . . . . . 77 L HD23 . 17935 1 599 . 1 1 77 77 LEU CA C 13 58.912 . . . . . . . 77 L CA . 17935 1 600 . 1 1 77 77 LEU CB C 13 42.302 . . . . . . . 77 L CB . 17935 1 601 . 1 1 77 77 LEU N N 15 130.852 . . . . . . . 77 L N . 17935 1 602 . 1 1 78 78 GLY H H 1 8.096 . . . . . . . 78 G H . 17935 1 603 . 1 1 78 78 GLY HA2 H 1 3.509 . . . . . . . 78 G HA2 . 17935 1 604 . 1 1 78 78 GLY HA3 H 1 3.566 . . . . . . . 78 G HA3 . 17935 1 605 . 1 1 78 78 GLY CA C 13 48.559 . . . . . . . 78 G CA . 17935 1 606 . 1 1 78 78 GLY N N 15 102.906 . . . . . . . 78 G N . 17935 1 607 . 1 1 79 79 HIS H H 1 6.425 . . . . . . . 79 H H . 17935 1 608 . 1 1 79 79 HIS HA H 1 4.245 . . . . . . . 79 H HA . 17935 1 609 . 1 1 79 79 HIS HB3 H 1 2.871 . . . . . . . 79 H HB3 . 17935 1 610 . 1 1 79 79 HIS CA C 13 58.924 . . . . . . . 79 H CA . 17935 1 611 . 1 1 79 79 HIS CB C 13 32.735 . . . . . . . 79 H CB . 17935 1 612 . 1 1 79 79 HIS N N 15 123.670 . . . . . . . 79 H N . 17935 1 613 . 1 1 80 80 GLN H H 1 7.631 . . . . . . . 80 Q H . 17935 1 614 . 1 1 80 80 GLN HA H 1 3.249 . . . . . . . 80 Q HA . 17935 1 615 . 1 1 80 80 GLN HB3 H 1 1.913 . . . . . . . 80 Q HB3 . 17935 1 616 . 1 1 80 80 GLN CA C 13 58.648 . . . . . . . 80 Q CA . 17935 1 617 . 1 1 80 80 GLN CB C 13 25.965 . . . . . . . 80 Q CB . 17935 1 618 . 1 1 80 80 GLN N N 15 118.378 . . . . . . . 80 Q N . 17935 1 619 . 1 1 81 81 LEU H H 1 8.820 . . . . . . . 81 L H . 17935 1 620 . 1 1 81 81 LEU HA H 1 3.954 . . . . . . . 81 L HA . 17935 1 621 . 1 1 81 81 LEU HB3 H 1 1.726 . . . . . . . 81 L HB3 . 17935 1 622 . 1 1 81 81 LEU HD21 H 1 0.822 . . . . . . . 81 L HD21 . 17935 1 623 . 1 1 81 81 LEU HD22 H 1 0.822 . . . . . . . 81 L HD22 . 17935 1 624 . 1 1 81 81 LEU HD23 H 1 0.822 . . . . . . . 81 L HD23 . 17935 1 625 . 1 1 81 81 LEU CA C 13 58.360 . . . . . . . 81 L CA . 17935 1 626 . 1 1 81 81 LEU CB C 13 42.434 . . . . . . . 81 L CB . 17935 1 627 . 1 1 81 81 LEU N N 15 119.590 . . . . . . . 81 L N . 17935 1 628 . 1 1 82 82 ILE H H 1 7.412 . . . . . . . 82 I H . 17935 1 629 . 1 1 82 82 ILE HA H 1 4.259 . . . . . . . 82 I HA . 17935 1 630 . 1 1 82 82 ILE HB H 1 1.987 . . . . . . . 82 I HB . 17935 1 631 . 1 1 82 82 ILE HG21 H 1 0.853 . . . . . . . 82 I HG21 . 17935 1 632 . 1 1 82 82 ILE HG22 H 1 0.853 . . . . . . . 82 I HG22 . 17935 1 633 . 1 1 82 82 ILE HG23 H 1 0.853 . . . . . . . 82 I HG23 . 17935 1 634 . 1 1 82 82 ILE CA C 13 66.782 . . . . . . . 82 I CA . 17935 1 635 . 1 1 82 82 ILE CB C 13 38.176 . . . . . . . 82 I CB . 17935 1 636 . 1 1 82 82 ILE N N 15 119.139 . . . . . . . 82 I N . 17935 1 637 . 1 1 83 83 ALA H H 1 7.324 . . . . . . . 83 A H . 17935 1 638 . 1 1 83 83 ALA HA H 1 3.359 . . . . . . . 83 A HA . 17935 1 639 . 1 1 83 83 ALA HB1 H 1 1.584 . . . . . . . 83 A HB1 . 17935 1 640 . 1 1 83 83 ALA HB2 H 1 1.584 . . . . . . . 83 A HB2 . 17935 1 641 . 1 1 83 83 ALA HB3 H 1 1.584 . . . . . . . 83 A HB3 . 17935 1 642 . 1 1 83 83 ALA CA C 13 54.765 . . . . . . . 83 A CA . 17935 1 643 . 1 1 83 83 ALA CB C 13 19.034 . . . . . . . 83 A CB . 17935 1 644 . 1 1 83 83 ALA N N 15 118.652 . . . . . . . 83 A N . 17935 1 645 . 1 1 84 84 LEU H H 1 7.999 . . . . . . . 84 L H . 17935 1 646 . 1 1 84 84 LEU HA H 1 3.951 . . . . . . . 84 L HA . 17935 1 647 . 1 1 84 84 LEU HB2 H 1 2.116 . . . . . . . 84 L HB2 . 17935 1 648 . 1 1 84 84 LEU HB3 H 1 1.658 . . . . . . . 84 L HB3 . 17935 1 649 . 1 1 84 84 LEU HD11 H 1 0.786 . . . . . . . 84 L HD11 . 17935 1 650 . 1 1 84 84 LEU HD12 H 1 0.786 . . . . . . . 84 L HD12 . 17935 1 651 . 1 1 84 84 LEU HD13 H 1 0.786 . . . . . . . 84 L HD13 . 17935 1 652 . 1 1 84 84 LEU HD21 H 1 0.809 . . . . . . . 84 L HD21 . 17935 1 653 . 1 1 84 84 LEU HD22 H 1 0.809 . . . . . . . 84 L HD22 . 17935 1 654 . 1 1 84 84 LEU HD23 H 1 0.809 . . . . . . . 84 L HD23 . 17935 1 655 . 1 1 84 84 LEU CA C 13 57.580 . . . . . . . 84 L CA . 17935 1 656 . 1 1 84 84 LEU CB C 13 42.286 . . . . . . . 84 L CB . 17935 1 657 . 1 1 84 84 LEU CD1 C 13 25.383 . . . . . . . 84 L CD1 . 17935 1 658 . 1 1 84 84 LEU CD2 C 13 26.174 . . . . . . . 84 L CD2 . 17935 1 659 . 1 1 84 84 LEU N N 15 117.604 . . . . . . . 84 L N . 17935 1 660 . 1 1 85 85 ALA H H 1 8.576 . . . . . . . 85 A H . 17935 1 661 . 1 1 85 85 ALA HA H 1 3.811 . . . . . . . 85 A HA . 17935 1 662 . 1 1 85 85 ALA HB1 H 1 1.435 . . . . . . . 85 A HB1 . 17935 1 663 . 1 1 85 85 ALA HB2 H 1 1.435 . . . . . . . 85 A HB2 . 17935 1 664 . 1 1 85 85 ALA HB3 H 1 1.435 . . . . . . . 85 A HB3 . 17935 1 665 . 1 1 85 85 ALA CA C 13 54.891 . . . . . . . 85 A CA . 17935 1 666 . 1 1 85 85 ALA CB C 13 19.695 . . . . . . . 85 A CB . 17935 1 667 . 1 1 85 85 ALA N N 15 122.651 . . . . . . . 85 A N . 17935 1 668 . 1 1 86 86 TYR H H 1 7.184 . . . . . . . 86 Y H . 17935 1 669 . 1 1 86 86 TYR HA H 1 4.303 . . . . . . . 86 Y HA . 17935 1 670 . 1 1 86 86 TYR HD1 H 1 6.756 . . . . . . . 86 Y HD* . 17935 1 671 . 1 1 86 86 TYR HD2 H 1 6.756 . . . . . . . 86 Y HD* . 17935 1 672 . 1 1 86 86 TYR CA C 13 58.400 . . . . . . . 86 Y CA . 17935 1 673 . 1 1 86 86 TYR CB C 13 38.858 . . . . . . . 86 Y CB . 17935 1 674 . 1 1 86 86 TYR N N 15 110.860 . . . . . . . 86 Y N . 17935 1 675 . 1 1 87 87 GLY H H 1 7.704 . . . . . . . 87 G H . 17935 1 676 . 1 1 87 87 GLY CA C 13 47.173 . . . . . . . 87 G CA . 17935 1 677 . 1 1 87 87 GLY N N 15 107.657 . . . . . . . 87 G N . 17935 1 678 . 1 1 88 88 GLY H H 1 8.602 . . . . . . . 88 G H . 17935 1 679 . 1 1 88 88 GLY HA2 H 1 3.997 . . . . . . . 88 G HA2 . 17935 1 680 . 1 1 88 88 GLY HA3 H 1 3.039 . . . . . . . 88 G HA3 . 17935 1 681 . 1 1 88 88 GLY CA C 13 43.324 . . . . . . . 88 G CA . 17935 1 682 . 1 1 88 88 GLY N N 15 108.070 . . . . . . . 88 G N . 17935 1 683 . 1 1 89 89 GLU H H 1 7.931 . . . . . . . 89 E H . 17935 1 684 . 1 1 89 89 GLU HA H 1 4.796 . . . . . . . 89 E HA . 17935 1 685 . 1 1 89 89 GLU HB2 H 1 2.085 . . . . . . . 89 E HB2 . 17935 1 686 . 1 1 89 89 GLU HB3 H 1 2.090 . . . . . . . 89 E HB3 . 17935 1 687 . 1 1 89 89 GLU CA C 13 54.804 . . . . . . . 89 E CA . 17935 1 688 . 1 1 89 89 GLU CB C 13 33.417 . . . . . . . 89 E CB . 17935 1 689 . 1 1 89 89 GLU N N 15 114.795 . . . . . . . 89 E N . 17935 1 690 . 1 1 90 90 VAL H H 1 8.770 . . . . . . . 90 V H . 17935 1 691 . 1 1 90 90 VAL HA H 1 4.891 . . . . . . . 90 V HA . 17935 1 692 . 1 1 90 90 VAL HB H 1 1.798 . . . . . . . 90 V HB . 17935 1 693 . 1 1 90 90 VAL HG11 H 1 0.775 . . . . . . . 90 V HG11 . 17935 1 694 . 1 1 90 90 VAL HG12 H 1 0.775 . . . . . . . 90 V HG12 . 17935 1 695 . 1 1 90 90 VAL HG13 H 1 0.775 . . . . . . . 90 V HG13 . 17935 1 696 . 1 1 90 90 VAL HG21 H 1 0.760 . . . . . . . 90 V HG21 . 17935 1 697 . 1 1 90 90 VAL HG22 H 1 0.760 . . . . . . . 90 V HG22 . 17935 1 698 . 1 1 90 90 VAL HG23 H 1 0.760 . . . . . . . 90 V HG23 . 17935 1 699 . 1 1 90 90 VAL CA C 13 60.048 . . . . . . . 90 V CA . 17935 1 700 . 1 1 90 90 VAL CB C 13 35.504 . . . . . . . 90 V CB . 17935 1 701 . 1 1 90 90 VAL CG2 C 13 22.749 . . . . . . . 90 V CG2 . 17935 1 702 . 1 1 90 90 VAL N N 15 124.308 . . . . . . . 90 V N . 17935 1 703 . 1 1 91 91 GLY H H 1 8.413 . . . . . . . 91 G H . 17935 1 704 . 1 1 91 91 GLY CA C 13 45.018 . . . . . . . 91 G CA . 17935 1 705 . 1 1 91 91 GLY N N 15 111.015 . . . . . . . 91 G N . 17935 1 706 . 1 1 92 92 ARG H H 1 8.317 . . . . . . . 92 R H . 17935 1 707 . 1 1 92 92 ARG HA H 1 4.889 . . . . . . . 92 R HA . 17935 1 708 . 1 1 92 92 ARG HB2 H 1 2.126 . . . . . . . 92 R HB2 . 17935 1 709 . 1 1 92 92 ARG HB3 H 1 1.805 . . . . . . . 92 R HB3 . 17935 1 710 . 1 1 92 92 ARG HD2 H 1 3.284 . . . . . . . 92 R HD2 . 17935 1 711 . 1 1 92 92 ARG HD3 H 1 3.297 . . . . . . . 92 R HD3 . 17935 1 712 . 1 1 92 92 ARG CA C 13 56.041 . . . . . . . 92 R CA . 17935 1 713 . 1 1 92 92 ARG CB C 13 31.352 . . . . . . . 92 R CB . 17935 1 714 . 1 1 92 92 ARG CG C 13 26.121 . . . . . . . 92 R CG . 17935 1 715 . 1 1 92 92 ARG CD C 13 42.518 . . . . . . . 92 R CD . 17935 1 716 . 1 1 92 92 ARG N N 15 120.053 . . . . . . . 92 R N . 17935 1 717 . 1 1 93 93 ALA H H 1 8.413 . . . . . . . 93 A H . 17935 1 718 . 1 1 93 93 ALA HA H 1 4.856 . . . . . . . 93 A HA . 17935 1 719 . 1 1 93 93 ALA HB1 H 1 1.231 . . . . . . . 93 A HB1 . 17935 1 720 . 1 1 93 93 ALA HB2 H 1 1.231 . . . . . . . 93 A HB2 . 17935 1 721 . 1 1 93 93 ALA HB3 H 1 1.231 . . . . . . . 93 A HB3 . 17935 1 722 . 1 1 93 93 ALA CA C 13 50.689 . . . . . . . 93 A CA . 17935 1 723 . 1 1 93 93 ALA CB C 13 19.760 . . . . . . . 93 A CB . 17935 1 724 . 1 1 93 93 ALA N N 15 129.455 . . . . . . . 93 A N . 17935 1 725 . 1 1 94 94 GLU H H 1 8.012 . . . . . . . 94 E H . 17935 1 726 . 1 1 94 94 GLU HA H 1 4.314 . . . . . . . 94 E HA . 17935 1 727 . 1 1 94 94 GLU CA C 13 57.401 . . . . . . . 94 E CA . 17935 1 728 . 1 1 94 94 GLU CB C 13 31.064 . . . . . . . 94 E CB . 17935 1 729 . 1 1 94 94 GLU N N 15 115.856 . . . . . . . 94 E N . 17935 1 730 . 1 1 95 95 ALA H H 1 7.731 . . . . . . . 95 A H . 17935 1 731 . 1 1 95 95 ALA HA H 1 4.635 . . . . . . . 95 A HA . 17935 1 732 . 1 1 95 95 ALA HB1 H 1 1.178 . . . . . . . 95 A HB1 . 17935 1 733 . 1 1 95 95 ALA HB2 H 1 1.178 . . . . . . . 95 A HB2 . 17935 1 734 . 1 1 95 95 ALA HB3 H 1 1.178 . . . . . . . 95 A HB3 . 17935 1 735 . 1 1 95 95 ALA CA C 13 51.088 . . . . . . . 95 A CA . 17935 1 736 . 1 1 95 95 ALA CB C 13 18.727 . . . . . . . 95 A CB . 17935 1 737 . 1 1 95 95 ALA N N 15 123.589 . . . . . . . 95 A N . 17935 1 738 . 1 1 96 96 GLU H H 1 8.288 . . . . . . . 96 E H . 17935 1 739 . 1 1 96 96 GLU HA H 1 3.486 . . . . . . . 96 E HA . 17935 1 740 . 1 1 96 96 GLU HB2 H 1 1.919 . . . . . . . 96 E HB2 . 17935 1 741 . 1 1 96 96 GLU HB3 H 1 2.027 . . . . . . . 96 E HB3 . 17935 1 742 . 1 1 96 96 GLU HG3 H 1 2.131 . . . . . . . 96 E HG3 . 17935 1 743 . 1 1 96 96 GLU CA C 13 58.264 . . . . . . . 96 E CA . 17935 1 744 . 1 1 96 96 GLU CB C 13 30.121 . . . . . . . 96 E CB . 17935 1 745 . 1 1 96 96 GLU CG C 13 35.533 . . . . . . . 96 E CG . 17935 1 746 . 1 1 96 96 GLU N N 15 122.498 . . . . . . . 96 E N . 17935 1 747 . 1 1 97 97 GLU H H 1 8.522 . . . . . . . 97 E H . 17935 1 748 . 1 1 97 97 GLU HA H 1 4.094 . . . . . . . 97 E HA . 17935 1 749 . 1 1 97 97 GLU HB3 H 1 1.900 . . . . . . . 97 E HB3 . 17935 1 750 . 1 1 97 97 GLU HG3 H 1 2.208 . . . . . . . 97 E HG3 . 17935 1 751 . 1 1 97 97 GLU CA C 13 56.483 . . . . . . . 97 E CA . 17935 1 752 . 1 1 97 97 GLU CB C 13 29.470 . . . . . . . 97 E CB . 17935 1 753 . 1 1 97 97 GLU N N 15 121.250 . . . . . . . 97 E N . 17935 1 754 . 1 1 98 98 TYR H H 1 8.197 . . . . . . . 98 Y H . 17935 1 755 . 1 1 98 98 TYR HA H 1 4.386 . . . . . . . 98 Y HA . 17935 1 756 . 1 1 98 98 TYR HD1 H 1 6.773 . . . . . . . 98 Y HD* . 17935 1 757 . 1 1 98 98 TYR HD2 H 1 6.773 . . . . . . . 98 Y HD* . 17935 1 758 . 1 1 98 98 TYR CA C 13 59.159 . . . . . . . 98 Y CA . 17935 1 759 . 1 1 98 98 TYR CB C 13 39.221 . . . . . . . 98 Y CB . 17935 1 760 . 1 1 98 98 TYR N N 15 121.091 . . . . . . . 98 Y N . 17935 1 761 . 1 1 99 99 ALA H H 1 8.002 . . . . . . . 99 A H . 17935 1 762 . 1 1 99 99 ALA HA H 1 3.998 . . . . . . . 99 A HA . 17935 1 763 . 1 1 99 99 ALA HB1 H 1 1.152 . . . . . . . 99 A HB1 . 17935 1 764 . 1 1 99 99 ALA HB2 H 1 1.152 . . . . . . . 99 A HB2 . 17935 1 765 . 1 1 99 99 ALA HB3 H 1 1.152 . . . . . . . 99 A HB3 . 17935 1 766 . 1 1 99 99 ALA CA C 13 50.935 . . . . . . . 99 A CA . 17935 1 767 . 1 1 99 99 ALA CB C 13 22.674 . . . . . . . 99 A CB . 17935 1 768 . 1 1 99 99 ALA N N 15 123.809 . . . . . . . 99 A N . 17935 1 769 . 1 1 100 100 LEU H H 1 8.650 . . . . . . . 100 L H . 17935 1 770 . 1 1 100 100 LEU HA H 1 4.667 . . . . . . . 100 L HA . 17935 1 771 . 1 1 100 100 LEU HB2 H 1 1.602 . . . . . . . 100 L HB2 . 17935 1 772 . 1 1 100 100 LEU HB3 H 1 1.613 . . . . . . . 100 L HB3 . 17935 1 773 . 1 1 100 100 LEU HG H 1 0.614 . . . . . . . 100 L HG . 17935 1 774 . 1 1 100 100 LEU CA C 13 55.444 . . . . . . . 100 L CA . 17935 1 775 . 1 1 100 100 LEU CB C 13 42.422 . . . . . . . 100 L CB . 17935 1 776 . 1 1 100 100 LEU N N 15 123.159 . . . . . . . 100 L N . 17935 1 777 . 1 1 101 101 THR H H 1 9.635 . . . . . . . 101 T H . 17935 1 778 . 1 1 101 101 THR HA H 1 4.288 . . . . . . . 101 T HA . 17935 1 779 . 1 1 101 101 THR HB H 1 3.919 . . . . . . . 101 T HB . 17935 1 780 . 1 1 101 101 THR HG1 H 1 0.989 . . . . . . . 101 T HG1 . 17935 1 781 . 1 1 101 101 THR HG21 H 1 1.074 . . . . . . . 101 T HG21 . 17935 1 782 . 1 1 101 101 THR HG22 H 1 1.074 . . . . . . . 101 T HG22 . 17935 1 783 . 1 1 101 101 THR HG23 H 1 1.074 . . . . . . . 101 T HG23 . 17935 1 784 . 1 1 101 101 THR CA C 13 61.796 . . . . . . . 101 T CA . 17935 1 785 . 1 1 101 101 THR CB C 13 71.828 . . . . . . . 101 T CB . 17935 1 786 . 1 1 101 101 THR CG2 C 13 20.040 . . . . . . . 101 T CG2 . 17935 1 787 . 1 1 101 101 THR N N 15 125.222 . . . . . . . 101 T N . 17935 1 788 . 1 1 102 102 LYS H H 1 8.564 . . . . . . . 102 K H . 17935 1 789 . 1 1 102 102 LYS HA H 1 4.309 . . . . . . . 102 K HA . 17935 1 790 . 1 1 102 102 LYS HB2 H 1 2.263 . . . . . . . 102 K HB2 . 17935 1 791 . 1 1 102 102 LYS HB3 H 1 2.005 . . . . . . . 102 K HB3 . 17935 1 792 . 1 1 102 102 LYS HG2 H 1 1.468 . . . . . . . 102 K HG2 . 17935 1 793 . 1 1 102 102 LYS HG3 H 1 1.105 . . . . . . . 102 K HG3 . 17935 1 794 . 1 1 102 102 LYS HD3 H 1 1.105 . . . . . . . 102 K HD3 . 17935 1 795 . 1 1 102 102 LYS HE2 H 1 2.702 . . . . . . . 102 K HE2 . 17935 1 796 . 1 1 102 102 LYS HE3 H 1 2.949 . . . . . . . 102 K HE3 . 17935 1 797 . 1 1 102 102 LYS HZ1 H 1 6.215 . . . . . . . 102 K HZ1 . 17935 1 798 . 1 1 102 102 LYS HZ2 H 1 6.215 . . . . . . . 102 K HZ2 . 17935 1 799 . 1 1 102 102 LYS HZ3 H 1 6.215 . . . . . . . 102 K HZ3 . 17935 1 800 . 1 1 102 102 LYS CA C 13 56.888 . . . . . . . 102 K CA . 17935 1 801 . 1 1 102 102 LYS CB C 13 30.876 . . . . . . . 102 K CB . 17935 1 802 . 1 1 102 102 LYS N N 15 129.769 . . . . . . . 102 K N . 17935 1 803 . 1 1 103 103 VAL H H 1 8.830 . . . . . . . 103 V H . 17935 1 804 . 1 1 103 103 VAL HA H 1 3.530 . . . . . . . 103 V HA . 17935 1 805 . 1 1 103 103 VAL HG11 H 1 0.218 . . . . . . . 103 V HG11 . 17935 1 806 . 1 1 103 103 VAL HG12 H 1 0.218 . . . . . . . 103 V HG12 . 17935 1 807 . 1 1 103 103 VAL HG13 H 1 0.218 . . . . . . . 103 V HG13 . 17935 1 808 . 1 1 103 103 VAL HG21 H 1 0.101 . . . . . . . 103 V HG21 . 17935 1 809 . 1 1 103 103 VAL HG22 H 1 0.101 . . . . . . . 103 V HG22 . 17935 1 810 . 1 1 103 103 VAL HG23 H 1 0.101 . . . . . . . 103 V HG23 . 17935 1 811 . 1 1 103 103 VAL CA C 13 61.227 . . . . . . . 103 V CA . 17935 1 812 . 1 1 103 103 VAL CB C 13 31.315 . . . . . . . 103 V CB . 17935 1 813 . 1 1 103 103 VAL CG2 C 13 23.274 . . . . . . . 103 V CG2 . 17935 1 814 . 1 1 103 103 VAL N N 15 130.944 . . . . . . . 103 V N . 17935 1 815 . 1 1 104 104 TYR H H 1 8.451 . . . . . . . 104 Y H . 17935 1 816 . 1 1 104 104 TYR HA H 1 4.665 . . . . . . . 104 Y HA . 17935 1 817 . 1 1 104 104 TYR HB2 H 1 2.613 . . . . . . . 104 Y HB2 . 17935 1 818 . 1 1 104 104 TYR HB3 H 1 1.964 . . . . . . . 104 Y HB3 . 17935 1 819 . 1 1 104 104 TYR HE1 H 1 6.646 . . . . . . . 104 Y HE* . 17935 1 820 . 1 1 104 104 TYR HE2 H 1 6.646 . . . . . . . 104 Y HE* . 17935 1 821 . 1 1 104 104 TYR CA C 13 55.146 . . . . . . . 104 Y CA . 17935 1 822 . 1 1 104 104 TYR CB C 13 38.971 . . . . . . . 104 Y CB . 17935 1 823 . 1 1 104 104 TYR N N 15 122.656 . . . . . . . 104 Y N . 17935 1 824 . 1 1 105 105 VAL H H 1 8.752 . . . . . . . 105 V H . 17935 1 825 . 1 1 105 105 VAL HA H 1 4.735 . . . . . . . 105 V HA . 17935 1 826 . 1 1 105 105 VAL HB H 1 1.997 . . . . . . . 105 V HB . 17935 1 827 . 1 1 105 105 VAL CA C 13 63.727 . . . . . . . 105 V CA . 17935 1 828 . 1 1 105 105 VAL CB C 13 32.287 . . . . . . . 105 V CB . 17935 1 829 . 1 1 105 105 VAL N N 15 122.840 . . . . . . . 105 V N . 17935 1 830 . 1 1 106 106 ASP H H 1 9.040 . . . . . . . 106 D H . 17935 1 831 . 1 1 106 106 ASP HA H 1 4.625 . . . . . . . 106 D HA . 17935 1 832 . 1 1 106 106 ASP CA C 13 56.388 . . . . . . . 106 D CA . 17935 1 833 . 1 1 106 106 ASP CB C 13 42.988 . . . . . . . 106 D CB . 17935 1 834 . 1 1 106 106 ASP N N 15 130.431 . . . . . . . 106 D N . 17935 1 835 . 1 1 107 107 LYS H H 1 8.017 . . . . . . . 107 K H . 17935 1 836 . 1 1 107 107 LYS HA H 1 4.408 . . . . . . . 107 K HA . 17935 1 837 . 1 1 107 107 LYS HB3 H 1 1.836 . . . . . . . 107 K HB3 . 17935 1 838 . 1 1 107 107 LYS HG2 H 1 0.677 . . . . . . . 107 K HG2 . 17935 1 839 . 1 1 107 107 LYS HG3 H 1 1.213 . . . . . . . 107 K HG3 . 17935 1 840 . 1 1 107 107 LYS CA C 13 55.769 . . . . . . . 107 K CA . 17935 1 841 . 1 1 107 107 LYS CB C 13 35.581 . . . . . . . 107 K CB . 17935 1 842 . 1 1 107 107 LYS N N 15 120.892 . . . . . . . 107 K N . 17935 1 843 . 1 1 108 108 GLU H H 1 8.652 . . . . . . . 108 E H . 17935 1 844 . 1 1 108 108 GLU HA H 1 3.841 . . . . . . . 108 E HA . 17935 1 845 . 1 1 108 108 GLU CA C 13 58.278 . . . . . . . 108 E CA . 17935 1 846 . 1 1 108 108 GLU CB C 13 30.535 . . . . . . . 108 E CB . 17935 1 847 . 1 1 108 108 GLU N N 15 124.434 . . . . . . . 108 E N . 17935 1 848 . 1 1 109 109 ASN H H 1 8.909 . . . . . . . 109 N H . 17935 1 849 . 1 1 109 109 ASN HA H 1 4.363 . . . . . . . 109 N HA . 17935 1 850 . 1 1 109 109 ASN HD21 H 1 7.748 . . . . . . . 109 N HD21 . 17935 1 851 . 1 1 109 109 ASN HD22 H 1 6.707 . . . . . . . 109 N HD22 . 17935 1 852 . 1 1 109 109 ASN CA C 13 51.160 . . . . . . . 109 N CA . 17935 1 853 . 1 1 109 109 ASN CB C 13 38.173 . . . . . . . 109 N CB . 17935 1 854 . 1 1 109 109 ASN N N 15 112.046 . . . . . . . 109 N N . 17935 1 855 . 1 1 109 109 ASN ND2 N 15 113.580 . . . . . . . 109 N ND2 . 17935 1 856 . 1 1 110 110 ASP CA C 13 58.606 . . . . . . . 110 D CA . 17935 1 857 . 1 1 110 110 ASP CB C 13 39.582 . . . . . . . 110 D CB . 17935 1 858 . 1 1 111 111 LEU H H 1 7.794 . . . . . . . 111 L H . 17935 1 859 . 1 1 111 111 LEU HA H 1 4.594 . . . . . . . 111 L HA . 17935 1 860 . 1 1 111 111 LEU HB3 H 1 1.908 . . . . . . . 111 L HB3 . 17935 1 861 . 1 1 111 111 LEU HG H 1 1.519 . . . . . . . 111 L HG . 17935 1 862 . 1 1 111 111 LEU HD11 H 1 0.609 . . . . . . . 111 L HD11 . 17935 1 863 . 1 1 111 111 LEU HD12 H 1 0.609 . . . . . . . 111 L HD12 . 17935 1 864 . 1 1 111 111 LEU HD13 H 1 0.609 . . . . . . . 111 L HD13 . 17935 1 865 . 1 1 111 111 LEU HD21 H 1 0.326 . . . . . . . 111 L HD21 . 17935 1 866 . 1 1 111 111 LEU HD22 H 1 0.326 . . . . . . . 111 L HD22 . 17935 1 867 . 1 1 111 111 LEU HD23 H 1 0.326 . . . . . . . 111 L HD23 . 17935 1 868 . 1 1 111 111 LEU CA C 13 56.700 . . . . . . . 111 L CA . 17935 1 869 . 1 1 111 111 LEU CB C 13 41.730 . . . . . . . 111 L CB . 17935 1 870 . 1 1 111 111 LEU N N 15 116.698 . . . . . . . 111 L N . 17935 1 871 . 1 1 112 112 PHE H H 1 7.116 . . . . . . . 112 F H . 17935 1 872 . 1 1 112 112 PHE HA H 1 4.850 . . . . . . . 112 F HA . 17935 1 873 . 1 1 112 112 PHE CA C 13 55.910 . . . . . . . 112 F CA . 17935 1 874 . 1 1 112 112 PHE CB C 13 38.652 . . . . . . . 112 F CB . 17935 1 875 . 1 1 112 112 PHE N N 15 109.728 . . . . . . . 112 F N . 17935 1 876 . 1 1 113 113 LYS H H 1 6.407 . . . . . . . 113 K H . 17935 1 877 . 1 1 113 113 LYS HA H 1 3.969 . . . . . . . 113 K HA . 17935 1 878 . 1 1 113 113 LYS HE2 H 1 2.608 . . . . . . . 113 K HE2 . 17935 1 879 . 1 1 113 113 LYS HE3 H 1 2.490 . . . . . . . 113 K HE3 . 17935 1 880 . 1 1 113 113 LYS HZ1 H 1 8.425 . . . . . . . 113 K HZ1 . 17935 1 881 . 1 1 113 113 LYS HZ2 H 1 8.425 . . . . . . . 113 K HZ2 . 17935 1 882 . 1 1 113 113 LYS HZ3 H 1 8.425 . . . . . . . 113 K HZ3 . 17935 1 883 . 1 1 113 113 LYS CA C 13 57.544 . . . . . . . 113 K CA . 17935 1 884 . 1 1 113 113 LYS CB C 13 32.440 . . . . . . . 113 K CB . 17935 1 885 . 1 1 113 113 LYS N N 15 121.466 . . . . . . . 113 K N . 17935 1 886 . 1 1 114 114 ASN H H 1 8.969 . . . . . . . 114 N H . 17935 1 887 . 1 1 114 114 ASN HA H 1 4.023 . . . . . . . 114 N HA . 17935 1 888 . 1 1 114 114 ASN HD21 H 1 7.890 . . . . . . . 114 N HD21 . 17935 1 889 . 1 1 114 114 ASN HD22 H 1 6.867 . . . . . . . 114 N HD22 . 17935 1 890 . 1 1 114 114 ASN CA C 13 55.190 . . . . . . . 114 N CA . 17935 1 891 . 1 1 114 114 ASN CB C 13 37.256 . . . . . . . 114 N CB . 17935 1 892 . 1 1 114 114 ASN N N 15 116.216 . . . . . . . 114 N N . 17935 1 893 . 1 1 114 114 ASN ND2 N 15 115.615 . . . . . . . 114 N ND2 . 17935 1 894 . 1 1 115 115 VAL H H 1 7.252 . . . . . . . 115 V H . 17935 1 895 . 1 1 115 115 VAL HA H 1 4.029 . . . . . . . 115 V HA . 17935 1 896 . 1 1 115 115 VAL HB H 1 1.741 . . . . . . . 115 V HB . 17935 1 897 . 1 1 115 115 VAL HG11 H 1 0.469 . . . . . . . 115 V HG11 . 17935 1 898 . 1 1 115 115 VAL HG12 H 1 0.469 . . . . . . . 115 V HG12 . 17935 1 899 . 1 1 115 115 VAL HG13 H 1 0.469 . . . . . . . 115 V HG13 . 17935 1 900 . 1 1 115 115 VAL HG21 H 1 0.676 . . . . . . . 115 V HG21 . 17935 1 901 . 1 1 115 115 VAL HG22 H 1 0.676 . . . . . . . 115 V HG22 . 17935 1 902 . 1 1 115 115 VAL HG23 H 1 0.676 . . . . . . . 115 V HG23 . 17935 1 903 . 1 1 115 115 VAL CA C 13 58.728 . . . . . . . 115 V CA . 17935 1 904 . 1 1 115 115 VAL CB C 13 34.373 . . . . . . . 115 V CB . 17935 1 905 . 1 1 115 115 VAL N N 15 119.871 . . . . . . . 115 V N . 17935 1 906 . 1 1 116 116 PRO HA H 1 4.295 . . . . . . . 116 P HA . 17935 1 907 . 1 1 116 116 PRO HB2 H 1 2.564 . . . . . . . 116 P HB2 . 17935 1 908 . 1 1 116 116 PRO HB3 H 1 2.307 . . . . . . . 116 P HB3 . 17935 1 909 . 1 1 116 116 PRO HG3 H 1 1.809 . . . . . . . 116 P HG3 . 17935 1 910 . 1 1 116 116 PRO HD3 H 1 3.239 . . . . . . . 116 P HD3 . 17935 1 911 . 1 1 116 116 PRO CA C 13 62.791 . . . . . . . 116 P CA . 17935 1 912 . 1 1 116 116 PRO CB C 13 32.206 . . . . . . . 116 P CB . 17935 1 913 . 1 1 117 117 ARG H H 1 7.939 . . . . . . . 117 R H . 17935 1 914 . 1 1 117 117 ARG HA H 1 3.894 . . . . . . . 117 R HA . 17935 1 915 . 1 1 117 117 ARG HG3 H 1 2.029 . . . . . . . 117 R HG3 . 17935 1 916 . 1 1 117 117 ARG HD3 H 1 2.876 . . . . . . . 117 R HD3 . 17935 1 917 . 1 1 117 117 ARG HE H 1 7.430 . . . . . . . 117 R HE . 17935 1 918 . 1 1 117 117 ARG CA C 13 57.444 . . . . . . . 117 R CA . 17935 1 919 . 1 1 117 117 ARG CB C 13 29.821 . . . . . . . 117 R CB . 17935 1 920 . 1 1 117 117 ARG N N 15 113.334 . . . . . . . 117 R N . 17935 1 921 . 1 1 118 118 GLU H H 1 7.113 . . . . . . . 118 E H . 17935 1 922 . 1 1 118 118 GLU HA H 1 5.357 . . . . . . . 118 E HA . 17935 1 923 . 1 1 118 118 GLU HB2 H 1 1.994 . . . . . . . 118 E HB2 . 17935 1 924 . 1 1 118 118 GLU HB3 H 1 1.567 . . . . . . . 118 E HB3 . 17935 1 925 . 1 1 118 118 GLU CA C 13 54.034 . . . . . . . 118 E CA . 17935 1 926 . 1 1 118 118 GLU CB C 13 32.149 . . . . . . . 118 E CB . 17935 1 927 . 1 1 118 118 GLU N N 15 114.872 . . . . . . . 118 E N . 17935 1 928 . 1 1 119 119 PHE H H 1 8.379 . . . . . . . 119 F H . 17935 1 929 . 1 1 119 119 PHE HA H 1 4.161 . . . . . . . 119 F HA . 17935 1 930 . 1 1 119 119 PHE HD1 H 1 6.854 . . . . . . . 119 F HD* . 17935 1 931 . 1 1 119 119 PHE HD2 H 1 6.854 . . . . . . . 119 F HD* . 17935 1 932 . 1 1 119 119 PHE CA C 13 56.660 . . . . . . . 119 F CA . 17935 1 933 . 1 1 119 119 PHE CB C 13 40.213 . . . . . . . 119 F CB . 17935 1 934 . 1 1 119 119 PHE N N 15 118.593 . . . . . . . 119 F N . 17935 1 935 . 1 1 120 120 ASN H H 1 9.231 . . . . . . . 120 N H . 17935 1 936 . 1 1 120 120 ASN HA H 1 5.101 . . . . . . . 120 N HA . 17935 1 937 . 1 1 120 120 ASN HB2 H 1 2.238 . . . . . . . 120 N HB2 . 17935 1 938 . 1 1 120 120 ASN HB3 H 1 2.709 . . . . . . . 120 N HB3 . 17935 1 939 . 1 1 120 120 ASN HD21 H 1 8.718 . . . . . . . 120 N HD21 . 17935 1 940 . 1 1 120 120 ASN HD22 H 1 6.093 . . . . . . . 120 N HD22 . 17935 1 941 . 1 1 120 120 ASN CA C 13 52.339 . . . . . . . 120 N CA . 17935 1 942 . 1 1 120 120 ASN N N 15 119.116 . . . . . . . 120 N N . 17935 1 943 . 1 1 121 121 ALA H H 1 9.228 . . . . . . . 121 A H . 17935 1 944 . 1 1 121 121 ALA HA H 1 5.102 . . . . . . . 121 A HA . 17935 1 945 . 1 1 121 121 ALA HB1 H 1 0.827 . . . . . . . 121 A HB1 . 17935 1 946 . 1 1 121 121 ALA HB2 H 1 0.827 . . . . . . . 121 A HB2 . 17935 1 947 . 1 1 121 121 ALA HB3 H 1 0.827 . . . . . . . 121 A HB3 . 17935 1 948 . 1 1 121 121 ALA CA C 13 49.887 . . . . . . . 121 A CA . 17935 1 949 . 1 1 121 121 ALA CB C 13 24.623 . . . . . . . 121 A CB . 17935 1 950 . 1 1 121 121 ALA N N 15 123.760 . . . . . . . 121 A N . 17935 1 951 . 1 1 122 122 TRP H H 1 9.012 . . . . . . . 122 W H . 17935 1 952 . 1 1 122 122 TRP HA H 1 5.028 . . . . . . . 122 W HA . 17935 1 953 . 1 1 122 122 TRP HB3 H 1 3.276 . . . . . . . 122 W HB3 . 17935 1 954 . 1 1 122 122 TRP HD1 H 1 8.017 . . . . . . . 122 W HD1 . 17935 1 955 . 1 1 122 122 TRP HE1 H 1 12.741 . . . . . . . 122 W HE1 . 17935 1 956 . 1 1 122 122 TRP CA C 13 56.379 . . . . . . . 122 W CA . 17935 1 957 . 1 1 122 122 TRP CB C 13 31.912 . . . . . . . 122 W CB . 17935 1 958 . 1 1 122 122 TRP N N 15 124.860 . . . . . . . 122 W N . 17935 1 959 . 1 1 122 122 TRP NE1 N 15 121.652 . . . . . . . 122 W NE1 . 17935 1 960 . 1 1 123 123 ALA H H 1 8.218 . . . . . . . 123 A H . 17935 1 961 . 1 1 123 123 ALA HA H 1 5.275 . . . . . . . 123 A HA . 17935 1 962 . 1 1 123 123 ALA HB1 H 1 1.134 . . . . . . . 123 A HB1 . 17935 1 963 . 1 1 123 123 ALA HB2 H 1 1.134 . . . . . . . 123 A HB2 . 17935 1 964 . 1 1 123 123 ALA HB3 H 1 1.134 . . . . . . . 123 A HB3 . 17935 1 965 . 1 1 123 123 ALA CA C 13 51.221 . . . . . . . 123 A CA . 17935 1 966 . 1 1 123 123 ALA CB C 13 23.771 . . . . . . . 123 A CB . 17935 1 967 . 1 1 123 123 ALA N N 15 128.418 . . . . . . . 123 A N . 17935 1 968 . 1 1 124 124 SER H H 1 9.359 . . . . . . . 124 S H . 17935 1 969 . 1 1 124 124 SER HA H 1 4.382 . . . . . . . 124 S HA . 17935 1 970 . 1 1 124 124 SER HB3 H 1 3.618 . . . . . . . 124 S HB3 . 17935 1 971 . 1 1 124 124 SER CA C 13 55.993 . . . . . . . 124 S CA . 17935 1 972 . 1 1 124 124 SER CB C 13 64.370 . . . . . . . 124 S CB . 17935 1 973 . 1 1 124 124 SER N N 15 117.966 . . . . . . . 124 S N . 17935 1 974 . 1 1 125 125 HIS H H 1 7.902 . . . . . . . 125 H H . 17935 1 975 . 1 1 125 125 HIS HA H 1 4.486 . . . . . . . 125 H HA . 17935 1 976 . 1 1 125 125 HIS HB3 H 1 1.944 . . . . . . . 125 H HB3 . 17935 1 977 . 1 1 125 125 HIS CA C 13 55.032 . . . . . . . 125 H CA . 17935 1 978 . 1 1 125 125 HIS CB C 13 27.369 . . . . . . . 125 H CB . 17935 1 979 . 1 1 125 125 HIS N N 15 123.737 . . . . . . . 125 H N . 17935 1 980 . 1 1 126 126 LYS H H 1 7.371 . . . . . . . 126 K H . 17935 1 981 . 1 1 126 126 LYS HA H 1 3.654 . . . . . . . 126 K HA . 17935 1 982 . 1 1 126 126 LYS HB2 H 1 1.556 . . . . . . . 126 K HB2 . 17935 1 983 . 1 1 126 126 LYS HB3 H 1 1.642 . . . . . . . 126 K HB3 . 17935 1 984 . 1 1 126 126 LYS HG3 H 1 1.355 . . . . . . . 126 K HG3 . 17935 1 985 . 1 1 126 126 LYS CA C 13 59.262 . . . . . . . 126 K CA . 17935 1 986 . 1 1 126 126 LYS CB C 13 33.049 . . . . . . . 126 K CB . 17935 1 987 . 1 1 126 126 LYS N N 15 120.125 . . . . . . . 126 K N . 17935 1 988 . 1 1 127 127 ASP H H 1 7.768 . . . . . . . 127 D H . 17935 1 989 . 1 1 127 127 ASP HA H 1 5.262 . . . . . . . 127 D HA . 17935 1 990 . 1 1 127 127 ASP HB3 H 1 2.085 . . . . . . . 127 D HB3 . 17935 1 991 . 1 1 127 127 ASP CA C 13 52.012 . . . . . . . 127 D CA . 17935 1 992 . 1 1 127 127 ASP CB C 13 45.406 . . . . . . . 127 D CB . 17935 1 993 . 1 1 127 127 ASP N N 15 114.347 . . . . . . . 127 D N . 17935 1 994 . 1 1 128 128 GLU H H 1 8.776 . . . . . . . 128 E H . 17935 1 995 . 1 1 128 128 GLU HA H 1 4.772 . . . . . . . 128 E HA . 17935 1 996 . 1 1 128 128 GLU HB2 H 1 2.659 . . . . . . . 128 E HB2 . 17935 1 997 . 1 1 128 128 GLU HB3 H 1 1.833 . . . . . . . 128 E HB3 . 17935 1 998 . 1 1 128 128 GLU CA C 13 53.946 . . . . . . . 128 E CA . 17935 1 999 . 1 1 128 128 GLU CB C 13 32.550 . . . . . . . 128 E CB . 17935 1 1000 . 1 1 128 128 GLU N N 15 111.288 . . . . . . . 128 E N . 17935 1 1001 . 1 1 129 129 VAL H H 1 9.131 . . . . . . . 129 V H . 17935 1 1002 . 1 1 129 129 VAL HA H 1 3.857 . . . . . . . 129 V HA . 17935 1 1003 . 1 1 129 129 VAL HG11 H 1 0.691 . . . . . . . 129 V HG11 . 17935 1 1004 . 1 1 129 129 VAL HG12 H 1 0.691 . . . . . . . 129 V HG12 . 17935 1 1005 . 1 1 129 129 VAL HG13 H 1 0.691 . . . . . . . 129 V HG13 . 17935 1 1006 . 1 1 129 129 VAL HG21 H 1 0.290 . . . . . . . 129 V HG21 . 17935 1 1007 . 1 1 129 129 VAL HG22 H 1 0.290 . . . . . . . 129 V HG22 . 17935 1 1008 . 1 1 129 129 VAL HG23 H 1 0.290 . . . . . . . 129 V HG23 . 17935 1 1009 . 1 1 129 129 VAL CA C 13 63.458 . . . . . . . 129 V CA . 17935 1 1010 . 1 1 129 129 VAL CB C 13 31.471 . . . . . . . 129 V CB . 17935 1 1011 . 1 1 129 129 VAL CG2 C 13 22.132 . . . . . . . 129 V CG2 . 17935 1 1012 . 1 1 129 129 VAL N N 15 121.107 . . . . . . . 129 V N . 17935 1 1013 . 1 1 130 130 LYS H H 1 8.635 . . . . . . . 130 K H . 17935 1 1014 . 1 1 130 130 LYS HA H 1 4.200 . . . . . . . 130 K HA . 17935 1 1015 . 1 1 130 130 LYS HB3 H 1 1.574 . . . . . . . 130 K HB3 . 17935 1 1016 . 1 1 130 130 LYS HG3 H 1 1.350 . . . . . . . 130 K HG3 . 17935 1 1017 . 1 1 130 130 LYS HZ1 H 1 10.506 . . . . . . . 130 K HZ1 . 17935 1 1018 . 1 1 130 130 LYS HZ2 H 1 10.506 . . . . . . . 130 K HZ2 . 17935 1 1019 . 1 1 130 130 LYS HZ3 H 1 10.506 . . . . . . . 130 K HZ3 . 17935 1 1020 . 1 1 130 130 LYS CA C 13 55.483 . . . . . . . 130 K CA . 17935 1 1021 . 1 1 130 130 LYS CB C 13 33.994 . . . . . . . 130 K CB . 17935 1 1022 . 1 1 130 130 LYS N N 15 129.134 . . . . . . . 130 K N . 17935 1 1023 . 1 1 130 130 LYS NZ N 15 128.701 . . . . . . . 130 K NZ . 17935 1 1024 . 1 1 131 131 LYS H H 1 7.286 . . . . . . . 131 K H . 17935 1 1025 . 1 1 131 131 LYS HA H 1 4.435 . . . . . . . 131 K HA . 17935 1 1026 . 1 1 131 131 LYS HB3 H 1 1.526 . . . . . . . 131 K HB3 . 17935 1 1027 . 1 1 131 131 LYS HG3 H 1 1.276 . . . . . . . 131 K HG3 . 17935 1 1028 . 1 1 131 131 LYS HE3 H 1 3.004 . . . . . . . 131 K HE3 . 17935 1 1029 . 1 1 131 131 LYS CA C 13 55.424 . . . . . . . 131 K CA . 17935 1 1030 . 1 1 131 131 LYS CB C 13 35.525 . . . . . . . 131 K CB . 17935 1 1031 . 1 1 131 131 LYS N N 15 118.414 . . . . . . . 131 K N . 17935 1 1032 . 1 1 132 132 VAL H H 1 8.796 . . . . . . . 132 V H . 17935 1 1033 . 1 1 132 132 VAL HA H 1 3.705 . . . . . . . 132 V HA . 17935 1 1034 . 1 1 132 132 VAL HB H 1 1.904 . . . . . . . 132 V HB . 17935 1 1035 . 1 1 132 132 VAL HG21 H 1 0.937 . . . . . . . 132 V HG21 . 17935 1 1036 . 1 1 132 132 VAL HG22 H 1 0.937 . . . . . . . 132 V HG22 . 17935 1 1037 . 1 1 132 132 VAL HG23 H 1 0.937 . . . . . . . 132 V HG23 . 17935 1 1038 . 1 1 132 132 VAL CA C 13 60.411 . . . . . . . 132 V CA . 17935 1 1039 . 1 1 132 132 VAL CB C 13 31.892 . . . . . . . 132 V CB . 17935 1 1040 . 1 1 132 132 VAL N N 15 125.705 . . . . . . . 132 V N . 17935 1 1041 . 1 1 133 133 PRO HD2 H 1 3.150 . . . . . . . 133 P HD2 . 17935 1 1042 . 1 1 133 133 PRO HD3 H 1 2.907 . . . . . . . 133 P HD3 . 17935 1 1043 . 1 1 133 133 PRO CA C 13 61.785 . . . . . . . 133 P CA . 17935 1 1044 . 1 1 133 133 PRO CB C 13 31.527 . . . . . . . 133 P CB . 17935 1 1045 . 1 1 133 133 PRO CD C 13 49.782 . . . . . . . 133 P CD . 17935 1 1046 . 1 1 134 134 GLU H H 1 8.759 . . . . . . . 134 E H . 17935 1 1047 . 1 1 134 134 GLU HA H 1 4.072 . . . . . . . 134 E HA . 17935 1 1048 . 1 1 134 134 GLU HB3 H 1 2.072 . . . . . . . 134 E HB3 . 17935 1 1049 . 1 1 134 134 GLU CA C 13 58.009 . . . . . . . 134 E CA . 17935 1 1050 . 1 1 134 134 GLU CB C 13 29.307 . . . . . . . 134 E CB . 17935 1 1051 . 1 1 134 134 GLU N N 15 122.601 . . . . . . . 134 E N . 17935 1 1052 . 1 1 135 135 GLY H H 1 8.809 . . . . . . . 135 G H . 17935 1 1053 . 1 1 135 135 GLY CA C 13 45.002 . . . . . . . 135 G CA . 17935 1 1054 . 1 1 135 135 GLY N N 15 111.308 . . . . . . . 135 G N . 17935 1 1055 . 1 1 136 136 PHE H H 1 7.731 . . . . . . . 136 F H . 17935 1 1056 . 1 1 136 136 PHE HA H 1 5.052 . . . . . . . 136 F HA . 17935 1 1057 . 1 1 136 136 PHE HB2 H 1 2.844 . . . . . . . 136 F HB2 . 17935 1 1058 . 1 1 136 136 PHE HB3 H 1 3.285 . . . . . . . 136 F HB3 . 17935 1 1059 . 1 1 136 136 PHE HD1 H 1 6.747 . . . . . . . 136 F HD* . 17935 1 1060 . 1 1 136 136 PHE HD2 H 1 6.747 . . . . . . . 136 F HD* . 17935 1 1061 . 1 1 136 136 PHE CA C 13 56.199 . . . . . . . 136 F CA . 17935 1 1062 . 1 1 136 136 PHE CB C 13 42.323 . . . . . . . 136 F CB . 17935 1 1063 . 1 1 136 136 PHE N N 15 118.697 . . . . . . . 136 F N . 17935 1 1064 . 1 1 137 137 GLU H H 1 9.208 . . . . . . . 137 E H . 17935 1 1065 . 1 1 137 137 GLU HA H 1 5.044 . . . . . . . 137 E HA . 17935 1 1066 . 1 1 137 137 GLU HB3 H 1 1.853 . . . . . . . 137 E HB3 . 17935 1 1067 . 1 1 137 137 GLU HG3 H 1 2.590 . . . . . . . 137 E HG3 . 17935 1 1068 . 1 1 137 137 GLU CA C 13 53.424 . . . . . . . 137 E CA . 17935 1 1069 . 1 1 137 137 GLU CB C 13 33.427 . . . . . . . 137 E CB . 17935 1 1070 . 1 1 137 137 GLU N N 15 116.232 . . . . . . . 137 E N . 17935 1 1071 . 1 1 138 138 ILE H H 1 8.965 . . . . . . . 138 I H . 17935 1 1072 . 1 1 138 138 ILE HA H 1 4.169 . . . . . . . 138 I HA . 17935 1 1073 . 1 1 138 138 ILE HB H 1 1.873 . . . . . . . 138 I HB . 17935 1 1074 . 1 1 138 138 ILE HG13 H 1 1.422 . . . . . . . 138 I HG13 . 17935 1 1075 . 1 1 138 138 ILE HG21 H 1 1.016 . . . . . . . 138 I HG21 . 17935 1 1076 . 1 1 138 138 ILE HG22 H 1 1.016 . . . . . . . 138 I HG22 . 17935 1 1077 . 1 1 138 138 ILE HG23 H 1 1.016 . . . . . . . 138 I HG23 . 17935 1 1078 . 1 1 138 138 ILE HD11 H 1 0.998 . . . . . . . 138 I HD11 . 17935 1 1079 . 1 1 138 138 ILE HD12 H 1 0.998 . . . . . . . 138 I HD12 . 17935 1 1080 . 1 1 138 138 ILE HD13 H 1 0.998 . . . . . . . 138 I HD13 . 17935 1 1081 . 1 1 138 138 ILE CA C 13 63.882 . . . . . . . 138 I CA . 17935 1 1082 . 1 1 138 138 ILE CB C 13 39.447 . . . . . . . 138 I CB . 17935 1 1083 . 1 1 138 138 ILE CD1 C 13 13.840 . . . . . . . 138 I CD1 . 17935 1 1084 . 1 1 138 138 ILE N N 15 123.765 . . . . . . . 138 I N . 17935 1 1085 . 1 1 139 139 LEU H H 1 8.800 . . . . . . . 139 L H . 17935 1 1086 . 1 1 139 139 LEU HA H 1 3.490 . . . . . . . 139 L HA . 17935 1 1087 . 1 1 139 139 LEU HB3 H 1 1.867 . . . . . . . 139 L HB3 . 17935 1 1088 . 1 1 139 139 LEU HD21 H 1 0.614 . . . . . . . 139 L HD21 . 17935 1 1089 . 1 1 139 139 LEU HD22 H 1 0.614 . . . . . . . 139 L HD22 . 17935 1 1090 . 1 1 139 139 LEU HD23 H 1 0.614 . . . . . . . 139 L HD23 . 17935 1 1091 . 1 1 139 139 LEU CA C 13 54.592 . . . . . . . 139 L CA . 17935 1 1092 . 1 1 139 139 LEU CB C 13 45.174 . . . . . . . 139 L CB . 17935 1 1093 . 1 1 139 139 LEU N N 15 122.878 . . . . . . . 139 L N . 17935 1 1094 . 1 1 140 140 ALA H H 1 7.958 . . . . . . . 140 A H . 17935 1 1095 . 1 1 140 140 ALA HA H 1 5.457 . . . . . . . 140 A HA . 17935 1 1096 . 1 1 140 140 ALA HB1 H 1 1.112 . . . . . . . 140 A HB1 . 17935 1 1097 . 1 1 140 140 ALA HB2 H 1 1.112 . . . . . . . 140 A HB2 . 17935 1 1098 . 1 1 140 140 ALA HB3 H 1 1.112 . . . . . . . 140 A HB3 . 17935 1 1099 . 1 1 140 140 ALA CA C 13 52.205 . . . . . . . 140 A CA . 17935 1 1100 . 1 1 140 140 ALA CB C 13 22.519 . . . . . . . 140 A CB . 17935 1 1101 . 1 1 140 140 ALA N N 15 119.322 . . . . . . . 140 A N . 17935 1 1102 . 1 1 141 141 HIS H H 1 8.929 . . . . . . . 141 H H . 17935 1 1103 . 1 1 141 141 HIS HA H 1 4.965 . . . . . . . 141 H HA . 17935 1 1104 . 1 1 141 141 HIS HB3 H 1 3.209 . . . . . . . 141 H HB3 . 17935 1 1105 . 1 1 141 141 HIS HD1 H 1 6.687 . . . . . . . 141 H HD1 . 17935 1 1106 . 1 1 141 141 HIS HD2 H 1 7.499 . . . . . . . 141 H HD2 . 17935 1 1107 . 1 1 141 141 HIS HE1 H 1 8.346 . . . . . . . 141 H HE1 . 17935 1 1108 . 1 1 141 141 HIS CA C 13 55.654 . . . . . . . 141 H CA . 17935 1 1109 . 1 1 141 141 HIS CB C 13 33.228 . . . . . . . 141 H CB . 17935 1 1110 . 1 1 141 141 HIS N N 15 116.705 . . . . . . . 141 H N . 17935 1 1111 . 1 1 142 142 SER H H 1 9.548 . . . . . . . 142 S H . 17935 1 1112 . 1 1 142 142 SER HA H 1 5.018 . . . . . . . 142 S HA . 17935 1 1113 . 1 1 142 142 SER CA C 13 57.000 . . . . . . . 142 S CA . 17935 1 1114 . 1 1 142 142 SER CB C 13 67.551 . . . . . . . 142 S CB . 17935 1 1115 . 1 1 142 142 SER N N 15 116.363 . . . . . . . 142 S N . 17935 1 1116 . 1 1 143 143 ASP H H 1 9.942 . . . . . . . 143 D H . 17935 1 1117 . 1 1 143 143 ASP HA H 1 4.528 . . . . . . . 143 D HA . 17935 1 1118 . 1 1 143 143 ASP HB3 H 1 2.723 . . . . . . . 143 D HB3 . 17935 1 1119 . 1 1 143 143 ASP CA C 13 57.242 . . . . . . . 143 D CA . 17935 1 1120 . 1 1 143 143 ASP CB C 13 40.436 . . . . . . . 143 D CB . 17935 1 1121 . 1 1 143 143 ASP N N 15 119.532 . . . . . . . 143 D N . 17935 1 1122 . 1 1 144 144 ILE H H 1 7.061 . . . . . . . 144 I H . 17935 1 1123 . 1 1 144 144 ILE HA H 1 4.371 . . . . . . . 144 I HA . 17935 1 1124 . 1 1 144 144 ILE HB H 1 1.705 . . . . . . . 144 I HB . 17935 1 1125 . 1 1 144 144 ILE HG13 H 1 1.675 . . . . . . . 144 I HG13 . 17935 1 1126 . 1 1 144 144 ILE HG21 H 1 0.800 . . . . . . . 144 I HG21 . 17935 1 1127 . 1 1 144 144 ILE HG22 H 1 0.800 . . . . . . . 144 I HG22 . 17935 1 1128 . 1 1 144 144 ILE HG23 H 1 0.800 . . . . . . . 144 I HG23 . 17935 1 1129 . 1 1 144 144 ILE HD11 H 1 0.517 . . . . . . . 144 I HD11 . 17935 1 1130 . 1 1 144 144 ILE HD12 H 1 0.517 . . . . . . . 144 I HD12 . 17935 1 1131 . 1 1 144 144 ILE HD13 H 1 0.517 . . . . . . . 144 I HD13 . 17935 1 1132 . 1 1 144 144 ILE CA C 13 59.849 . . . . . . . 144 I CA . 17935 1 1133 . 1 1 144 144 ILE CB C 13 39.728 . . . . . . . 144 I CB . 17935 1 1134 . 1 1 144 144 ILE CG2 C 13 16.836 . . . . . . . 144 I CG2 . 17935 1 1135 . 1 1 144 144 ILE N N 15 108.250 . . . . . . . 144 I N . 17935 1 1136 . 1 1 145 145 CYS H H 1 7.481 . . . . . . . 145 C H . 17935 1 1137 . 1 1 145 145 CYS HA H 1 4.435 . . . . . . . 145 C HA . 17935 1 1138 . 1 1 145 145 CYS HB3 H 1 2.578 . . . . . . . 145 C HB3 . 17935 1 1139 . 1 1 145 145 CYS CA C 13 57.767 . . . . . . . 145 C CA . 17935 1 1140 . 1 1 145 145 CYS CB C 13 29.934 . . . . . . . 145 C CB . 17935 1 1141 . 1 1 145 145 CYS N N 15 125.550 . . . . . . . 145 C N . 17935 1 1142 . 1 1 146 146 GLN H H 1 9.230 . . . . . . . 146 Q H . 17935 1 1143 . 1 1 146 146 GLN HA H 1 4.346 . . . . . . . 146 Q HA . 17935 1 1144 . 1 1 146 146 GLN CA C 13 59.071 . . . . . . . 146 Q CA . 17935 1 1145 . 1 1 146 146 GLN CB C 13 29.610 . . . . . . . 146 Q CB . 17935 1 1146 . 1 1 146 146 GLN N N 15 129.309 . . . . . . . 146 Q N . 17935 1 1147 . 1 1 147 147 VAL H H 1 8.364 . . . . . . . 147 V H . 17935 1 1148 . 1 1 147 147 VAL HA H 1 4.450 . . . . . . . 147 V HA . 17935 1 1149 . 1 1 147 147 VAL HB H 1 2.324 . . . . . . . 147 V HB . 17935 1 1150 . 1 1 147 147 VAL HG11 H 1 0.881 . . . . . . . 147 V HG11 . 17935 1 1151 . 1 1 147 147 VAL HG12 H 1 0.881 . . . . . . . 147 V HG12 . 17935 1 1152 . 1 1 147 147 VAL HG13 H 1 0.881 . . . . . . . 147 V HG13 . 17935 1 1153 . 1 1 147 147 VAL HG21 H 1 0.969 . . . . . . . 147 V HG21 . 17935 1 1154 . 1 1 147 147 VAL HG22 H 1 0.969 . . . . . . . 147 V HG22 . 17935 1 1155 . 1 1 147 147 VAL HG23 H 1 0.969 . . . . . . . 147 V HG23 . 17935 1 1156 . 1 1 147 147 VAL CA C 13 60.398 . . . . . . . 147 V CA . 17935 1 1157 . 1 1 147 147 VAL CB C 13 32.161 . . . . . . . 147 V CB . 17935 1 1158 . 1 1 147 147 VAL N N 15 117.568 . . . . . . . 147 V N . 17935 1 1159 . 1 1 148 148 GLU H H 1 8.630 . . . . . . . 148 E H . 17935 1 1160 . 1 1 148 148 GLU HA H 1 4.063 . . . . . . . 148 E HA . 17935 1 1161 . 1 1 148 148 GLU CA C 13 57.058 . . . . . . . 148 E CA . 17935 1 1162 . 1 1 148 148 GLU CB C 13 29.273 . . . . . . . 148 E CB . 17935 1 1163 . 1 1 148 148 GLU N N 15 123.758 . . . . . . . 148 E N . 17935 1 1164 . 1 1 149 149 ALA H H 1 7.857 . . . . . . . 149 A H . 17935 1 1165 . 1 1 149 149 ALA HA H 1 5.430 . . . . . . . 149 A HA . 17935 1 1166 . 1 1 149 149 ALA CA C 13 51.716 . . . . . . . 149 A CA . 17935 1 1167 . 1 1 149 149 ALA CB C 13 24.192 . . . . . . . 149 A CB . 17935 1 1168 . 1 1 149 149 ALA N N 15 116.047 . . . . . . . 149 A N . 17935 1 1169 . 1 1 150 150 MET H H 1 10.087 . . . . . . . 150 M H . 17935 1 1170 . 1 1 150 150 MET HA H 1 5.804 . . . . . . . 150 M HA . 17935 1 1171 . 1 1 150 150 MET CA C 13 55.513 . . . . . . . 150 M CA . 17935 1 1172 . 1 1 150 150 MET CB C 13 36.147 . . . . . . . 150 M CB . 17935 1 1173 . 1 1 150 150 MET N N 15 120.542 . . . . . . . 150 M N . 17935 1 1174 . 1 1 151 151 LYS H H 1 8.967 . . . . . . . 151 K H . 17935 1 1175 . 1 1 151 151 LYS HA H 1 5.469 . . . . . . . 151 K HA . 17935 1 1176 . 1 1 151 151 LYS HB2 H 1 2.079 . . . . . . . 151 K HB2 . 17935 1 1177 . 1 1 151 151 LYS HB3 H 1 1.867 . . . . . . . 151 K HB3 . 17935 1 1178 . 1 1 151 151 LYS HG3 H 1 1.639 . . . . . . . 151 K HG3 . 17935 1 1179 . 1 1 151 151 LYS HE3 H 1 3.023 . . . . . . . 151 K HE3 . 17935 1 1180 . 1 1 151 151 LYS CA C 13 55.007 . . . . . . . 151 K CA . 17935 1 1181 . 1 1 151 151 LYS CB C 13 36.167 . . . . . . . 151 K CB . 17935 1 1182 . 1 1 151 151 LYS N N 15 116.436 . . . . . . . 151 K N . 17935 1 1183 . 1 1 152 152 HIS H H 1 8.239 . . . . . . . 152 H H . 17935 1 1184 . 1 1 152 152 HIS HA H 1 4.125 . . . . . . . 152 H HA . 17935 1 1185 . 1 1 152 152 HIS HB3 H 1 2.817 . . . . . . . 152 H HB3 . 17935 1 1186 . 1 1 152 152 HIS HD1 H 1 6.748 . . . . . . . 152 H HD1 . 17935 1 1187 . 1 1 152 152 HIS HE1 H 1 9.059 . . . . . . . 152 H HE1 . 17935 1 1188 . 1 1 152 152 HIS HE2 H 1 9.482 . . . . . . . 152 H HE2 . 17935 1 1189 . 1 1 152 152 HIS CA C 13 57.545 . . . . . . . 152 H CA . 17935 1 1190 . 1 1 152 152 HIS CB C 13 31.349 . . . . . . . 152 H CB . 17935 1 1191 . 1 1 152 152 HIS N N 15 127.744 . . . . . . . 152 H N . 17935 1 1192 . 1 1 153 153 LYS H H 1 8.533 . . . . . . . 153 K H . 17935 1 1193 . 1 1 153 153 LYS HA H 1 3.774 . . . . . . . 153 K HA . 17935 1 1194 . 1 1 153 153 LYS HB2 H 1 1.551 . . . . . . . 153 K HB2 . 17935 1 1195 . 1 1 153 153 LYS HB3 H 1 1.759 . . . . . . . 153 K HB3 . 17935 1 1196 . 1 1 153 153 LYS HG3 H 1 1.144 . . . . . . . 153 K HG3 . 17935 1 1197 . 1 1 153 153 LYS HE3 H 1 3.170 . . . . . . . 153 K HE3 . 17935 1 1198 . 1 1 153 153 LYS HZ1 H 1 8.096 . . . . . . . 153 K HZ1 . 17935 1 1199 . 1 1 153 153 LYS HZ2 H 1 8.096 . . . . . . . 153 K HZ2 . 17935 1 1200 . 1 1 153 153 LYS HZ3 H 1 8.096 . . . . . . . 153 K HZ3 . 17935 1 1201 . 1 1 153 153 LYS CA C 13 60.618 . . . . . . . 153 K CA . 17935 1 1202 . 1 1 153 153 LYS CB C 13 33.424 . . . . . . . 153 K CB . 17935 1 1203 . 1 1 153 153 LYS N N 15 125.803 . . . . . . . 153 K N . 17935 1 1204 . 1 1 154 154 THR H H 1 10.153 . . . . . . . 154 T H . 17935 1 1205 . 1 1 154 154 THR HA H 1 4.558 . . . . . . . 154 T HA . 17935 1 1206 . 1 1 154 154 THR HG21 H 1 1.116 . . . . . . . 154 T HG21 . 17935 1 1207 . 1 1 154 154 THR HG22 H 1 1.116 . . . . . . . 154 T HG22 . 17935 1 1208 . 1 1 154 154 THR HG23 H 1 1.116 . . . . . . . 154 T HG23 . 17935 1 1209 . 1 1 154 154 THR CA C 13 61.866 . . . . . . . 154 T CA . 17935 1 1210 . 1 1 154 154 THR CB C 13 70.283 . . . . . . . 154 T CB . 17935 1 1211 . 1 1 154 154 THR N N 15 109.761 . . . . . . . 154 T N . 17935 1 1212 . 1 1 155 155 LYS H H 1 8.326 . . . . . . . 155 K H . 17935 1 1213 . 1 1 155 155 LYS HA H 1 4.559 . . . . . . . 155 K HA . 17935 1 1214 . 1 1 155 155 LYS HB2 H 1 1.786 . . . . . . . 155 K HB2 . 17935 1 1215 . 1 1 155 155 LYS HE3 H 1 2.816 . . . . . . . 155 K HE3 . 17935 1 1216 . 1 1 155 155 LYS HZ1 H 1 7.722 . . . . . . . 155 K HZ1 . 17935 1 1217 . 1 1 155 155 LYS HZ2 H 1 7.722 . . . . . . . 155 K HZ2 . 17935 1 1218 . 1 1 155 155 LYS HZ3 H 1 7.722 . . . . . . . 155 K HZ3 . 17935 1 1219 . 1 1 155 155 LYS CA C 13 54.428 . . . . . . . 155 K CA . 17935 1 1220 . 1 1 155 155 LYS CB C 13 34.797 . . . . . . . 155 K CB . 17935 1 1221 . 1 1 155 155 LYS N N 15 125.201 . . . . . . . 155 K N . 17935 1 1222 . 1 1 156 156 PRO HA H 1 3.504 . . . . . . . 156 P HA . 17935 1 1223 . 1 1 156 156 PRO HB2 H 1 1.597 . . . . . . . 156 P HB2 . 17935 1 1224 . 1 1 156 156 PRO HG3 H 1 1.887 . . . . . . . 156 P HG3 . 17935 1 1225 . 1 1 156 156 PRO HD2 H 1 2.809 . . . . . . . 156 P HD2 . 17935 1 1226 . 1 1 156 156 PRO HD3 H 1 3.121 . . . . . . . 156 P HD3 . 17935 1 1227 . 1 1 156 156 PRO CA C 13 62.177 . . . . . . . 156 P CA . 17935 1 1228 . 1 1 157 157 ILE H H 1 7.701 . . . . . . . 157 I H . 17935 1 1229 . 1 1 157 157 ILE HA H 1 4.526 . . . . . . . 157 I HA . 17935 1 1230 . 1 1 157 157 ILE HB H 1 2.323 . . . . . . . 157 I HB . 17935 1 1231 . 1 1 157 157 ILE HG13 H 1 1.614 . . . . . . . 157 I HG13 . 17935 1 1232 . 1 1 157 157 ILE HG21 H 1 1.224 . . . . . . . 157 I HG21 . 17935 1 1233 . 1 1 157 157 ILE HG22 H 1 1.224 . . . . . . . 157 I HG22 . 17935 1 1234 . 1 1 157 157 ILE HG23 H 1 1.224 . . . . . . . 157 I HG23 . 17935 1 1235 . 1 1 157 157 ILE HD11 H 1 0.904 . . . . . . . 157 I HD11 . 17935 1 1236 . 1 1 157 157 ILE HD12 H 1 0.904 . . . . . . . 157 I HD12 . 17935 1 1237 . 1 1 157 157 ILE HD13 H 1 0.904 . . . . . . . 157 I HD13 . 17935 1 1238 . 1 1 157 157 ILE CA C 13 60.672 . . . . . . . 157 I CA . 17935 1 1239 . 1 1 157 157 ILE CB C 13 40.712 . . . . . . . 157 I CB . 17935 1 1240 . 1 1 157 157 ILE N N 15 122.343 . . . . . . . 157 I N . 17935 1 1241 . 1 1 158 158 TYR H H 1 9.224 . . . . . . . 158 Y H . 17935 1 1242 . 1 1 158 158 TYR HA H 1 5.269 . . . . . . . 158 Y HA . 17935 1 1243 . 1 1 158 158 TYR HD1 H 1 7.866 . . . . . . . 158 Y HD* . 17935 1 1244 . 1 1 158 158 TYR HD2 H 1 7.866 . . . . . . . 158 Y HD* . 17935 1 1245 . 1 1 158 158 TYR HE1 H 1 6.837 . . . . . . . 158 Y HE* . 17935 1 1246 . 1 1 158 158 TYR HE2 H 1 6.837 . . . . . . . 158 Y HE* . 17935 1 1247 . 1 1 158 158 TYR CA C 13 56.213 . . . . . . . 158 Y CA . 17935 1 1248 . 1 1 158 158 TYR CB C 13 43.438 . . . . . . . 158 Y CB . 17935 1 1249 . 1 1 158 158 TYR N N 15 124.361 . . . . . . . 158 Y N . 17935 1 1250 . 1 1 159 159 GLY H H 1 9.159 . . . . . . . 159 G H . 17935 1 1251 . 1 1 159 159 GLY CA C 13 45.152 . . . . . . . 159 G CA . 17935 1 1252 . 1 1 159 159 GLY N N 15 108.482 . . . . . . . 159 G N . 17935 1 1253 . 1 1 160 160 VAL H H 1 8.478 . . . . . . . 160 V H . 17935 1 1254 . 1 1 160 160 VAL HA H 1 4.536 . . . . . . . 160 V HA . 17935 1 1255 . 1 1 160 160 VAL HB H 1 2.035 . . . . . . . 160 V HB . 17935 1 1256 . 1 1 160 160 VAL CA C 13 57.797 . . . . . . . 160 V CA . 17935 1 1257 . 1 1 160 160 VAL CB C 13 33.964 . . . . . . . 160 V CB . 17935 1 1258 . 1 1 160 160 VAL CG1 C 13 24.680 . . . . . . . 160 V CG1 . 17935 1 1259 . 1 1 160 160 VAL CG2 C 13 23.730 . . . . . . . 160 V CG2 . 17935 1 1260 . 1 1 160 160 VAL N N 15 112.588 . . . . . . . 160 V N . 17935 1 1261 . 1 1 161 161 GLN H H 1 8.649 . . . . . . . 161 Q H . 17935 1 1262 . 1 1 161 161 GLN CA C 13 56.764 . . . . . . . 161 Q CA . 17935 1 1263 . 1 1 161 161 GLN CB C 13 28.407 . . . . . . . 161 Q CB . 17935 1 1264 . 1 1 161 161 GLN N N 15 123.021 . . . . . . . 161 Q N . 17935 1 1265 . 1 1 162 162 PHE H H 1 6.246 . . . . . . . 162 F H . 17935 1 1266 . 1 1 162 162 PHE HA H 1 4.866 . . . . . . . 162 F HA . 17935 1 1267 . 1 1 162 162 PHE HB3 H 1 3.155 . . . . . . . 162 F HB3 . 17935 1 1268 . 1 1 162 162 PHE CA C 13 53.136 . . . . . . . 162 F CA . 17935 1 1269 . 1 1 162 162 PHE CB C 13 41.483 . . . . . . . 162 F CB . 17935 1 1270 . 1 1 162 162 PHE N N 15 111.675 . . . . . . . 162 F N . 17935 1 1271 . 1 1 163 163 HIS H H 1 8.572 . . . . . . . 163 H H . 17935 1 1272 . 1 1 163 163 HIS HA H 1 4.820 . . . . . . . 163 H HA . 17935 1 1273 . 1 1 163 163 HIS CA C 13 54.496 . . . . . . . 163 H CA . 17935 1 1274 . 1 1 163 163 HIS CB C 13 31.280 . . . . . . . 163 H CB . 17935 1 1275 . 1 1 163 163 HIS N N 15 112.954 . . . . . . . 163 H N . 17935 1 1276 . 1 1 164 164 PRO CA C 13 61.063 . . . . . . . 164 P CA . 17935 1 1277 . 1 1 164 164 PRO CB C 13 32.916 . . . . . . . 164 P CB . 17935 1 1278 . 1 1 165 165 GLU H H 1 9.253 . . . . . . . 165 E H . 17935 1 1279 . 1 1 165 165 GLU CA C 13 57.196 . . . . . . . 165 E CA . 17935 1 1280 . 1 1 165 165 GLU CB C 13 28.652 . . . . . . . 165 E CB . 17935 1 1281 . 1 1 165 165 GLU N N 15 122.618 . . . . . . . 165 E N . 17935 1 1282 . 1 1 166 166 VAL H H 1 6.915 . . . . . . . 166 V H . 17935 1 1283 . 1 1 166 166 VAL HA H 1 3.864 . . . . . . . 166 V HA . 17935 1 1284 . 1 1 166 166 VAL HB H 1 2.001 . . . . . . . 166 V HB . 17935 1 1285 . 1 1 166 166 VAL CA C 13 60.777 . . . . . . . 166 V CA . 17935 1 1286 . 1 1 166 166 VAL CB C 13 32.462 . . . . . . . 166 V CB . 17935 1 1287 . 1 1 166 166 VAL N N 15 119.017 . . . . . . . 166 V N . 17935 1 1288 . 1 1 167 167 ALA CA C 13 54.283 . . . . . . . 167 A CA . 17935 1 1289 . 1 1 167 167 ALA CB C 13 18.002 . . . . . . . 167 A CB . 17935 1 1290 . 1 1 168 168 HIS H H 1 6.187 . . . . . . . 168 H H . 17935 1 1291 . 1 1 168 168 HIS HA H 1 4.550 . . . . . . . 168 H HA . 17935 1 1292 . 1 1 168 168 HIS CA C 13 56.187 . . . . . . . 168 H CA . 17935 1 1293 . 1 1 168 168 HIS CB C 13 31.435 . . . . . . . 168 H CB . 17935 1 1294 . 1 1 168 168 HIS N N 15 110.752 . . . . . . . 168 H N . 17935 1 1295 . 1 1 169 169 THR H H 1 8.019 . . . . . . . 169 T H . 17935 1 1296 . 1 1 169 169 THR HA H 1 4.877 . . . . . . . 169 T HA . 17935 1 1297 . 1 1 169 169 THR HB H 1 3.488 . . . . . . . 169 T HB . 17935 1 1298 . 1 1 169 169 THR CA C 13 62.189 . . . . . . . 169 T CA . 17935 1 1299 . 1 1 169 169 THR CB C 13 69.052 . . . . . . . 169 T CB . 17935 1 1300 . 1 1 169 169 THR N N 15 115.611 . . . . . . . 169 T N . 17935 1 1301 . 1 1 171 171 TYR CA C 13 60.188 . . . . . . . 171 Y CA . 17935 1 1302 . 1 1 172 172 GLY H H 1 7.827 . . . . . . . 172 G H . 17935 1 1303 . 1 1 172 172 GLY CA C 13 48.919 . . . . . . . 172 G CA . 17935 1 1304 . 1 1 172 172 GLY N N 15 107.640 . . . . . . . 172 G N . 17935 1 1305 . 1 1 173 173 ASN H H 1 8.218 . . . . . . . 173 N H . 17935 1 1306 . 1 1 173 173 ASN HA H 1 4.235 . . . . . . . 173 N HA . 17935 1 1307 . 1 1 173 173 ASN HB2 H 1 2.790 . . . . . . . 173 N HB2 . 17935 1 1308 . 1 1 173 173 ASN HB3 H 1 2.704 . . . . . . . 173 N HB3 . 17935 1 1309 . 1 1 173 173 ASN HD21 H 1 7.415 . . . . . . . 173 N HD21 . 17935 1 1310 . 1 1 173 173 ASN HD22 H 1 6.547 . . . . . . . 173 N HD22 . 17935 1 1311 . 1 1 173 173 ASN CA C 13 55.800 . . . . . . . 173 N CA . 17935 1 1312 . 1 1 173 173 ASN CB C 13 37.286 . . . . . . . 173 N CB . 17935 1 1313 . 1 1 173 173 ASN N N 15 110.197 . . . . . . . 173 N N . 17935 1 1314 . 1 1 173 173 ASN ND2 N 15 110.403 . . . . . . . 173 N ND2 . 17935 1 1315 . 1 1 174 174 GLU H H 1 7.454 . . . . . . . 174 E H . 17935 1 1316 . 1 1 174 174 GLU HA H 1 3.895 . . . . . . . 174 E HA . 17935 1 1317 . 1 1 174 174 GLU HB3 H 1 2.258 . . . . . . . 174 E HB3 . 17935 1 1318 . 1 1 174 174 GLU CA C 13 58.818 . . . . . . . 174 E CA . 17935 1 1319 . 1 1 174 174 GLU CB C 13 29.661 . . . . . . . 174 E CB . 17935 1 1320 . 1 1 174 174 GLU N N 15 122.421 . . . . . . . 174 E N . 17935 1 1321 . 1 1 175 175 ILE H H 1 8.091 . . . . . . . 175 I H . 17935 1 1322 . 1 1 175 175 ILE HA H 1 3.876 . . . . . . . 175 I HA . 17935 1 1323 . 1 1 175 175 ILE HB H 1 2.052 . . . . . . . 175 I HB . 17935 1 1324 . 1 1 175 175 ILE HD11 H 1 0.705 . . . . . . . 175 I HD11 . 17935 1 1325 . 1 1 175 175 ILE HD12 H 1 0.705 . . . . . . . 175 I HD12 . 17935 1 1326 . 1 1 175 175 ILE HD13 H 1 0.705 . . . . . . . 175 I HD13 . 17935 1 1327 . 1 1 175 175 ILE CA C 13 65.212 . . . . . . . 175 I CA . 17935 1 1328 . 1 1 175 175 ILE CB C 13 38.586 . . . . . . . 175 I CB . 17935 1 1329 . 1 1 175 175 ILE CD1 C 13 16.007 . . . . . . . 175 I CD1 . 17935 1 1330 . 1 1 175 175 ILE N N 15 119.883 . . . . . . . 175 I N . 17935 1 1331 . 1 1 176 176 LEU H H 1 7.772 . . . . . . . 176 L H . 17935 1 1332 . 1 1 176 176 LEU HA H 1 3.896 . . . . . . . 176 L HA . 17935 1 1333 . 1 1 176 176 LEU HB3 H 1 1.598 . . . . . . . 176 L HB3 . 17935 1 1334 . 1 1 176 176 LEU HG H 1 0.683 . . . . . . . 176 L HG . 17935 1 1335 . 1 1 176 176 LEU CA C 13 58.303 . . . . . . . 176 L CA . 17935 1 1336 . 1 1 176 176 LEU CB C 13 41.658 . . . . . . . 176 L CB . 17935 1 1337 . 1 1 176 176 LEU N N 15 117.399 . . . . . . . 176 L N . 17935 1 1338 . 1 1 177 177 LYS H H 1 8.670 . . . . . . . 177 K H . 17935 1 1339 . 1 1 177 177 LYS HA H 1 3.984 . . . . . . . 177 K HA . 17935 1 1340 . 1 1 177 177 LYS HB2 H 1 2.219 . . . . . . . 177 K HB2 . 17935 1 1341 . 1 1 177 177 LYS HB3 H 1 1.748 . . . . . . . 177 K HB3 . 17935 1 1342 . 1 1 177 177 LYS HE3 H 1 2.936 . . . . . . . 177 K HE3 . 17935 1 1343 . 1 1 177 177 LYS CA C 13 60.481 . . . . . . . 177 K CA . 17935 1 1344 . 1 1 177 177 LYS CB C 13 32.206 . . . . . . . 177 K CB . 17935 1 1345 . 1 1 177 177 LYS N N 15 123.224 . . . . . . . 177 K N . 17935 1 1346 . 1 1 178 178 ASN H H 1 8.650 . . . . . . . 178 N H . 17935 1 1347 . 1 1 178 178 ASN HA H 1 4.373 . . . . . . . 178 N HA . 17935 1 1348 . 1 1 178 178 ASN CA C 13 55.766 . . . . . . . 178 N CA . 17935 1 1349 . 1 1 178 178 ASN CB C 13 38.687 . . . . . . . 178 N CB . 17935 1 1350 . 1 1 178 178 ASN N N 15 118.576 . . . . . . . 178 N N . 17935 1 1351 . 1 1 178 178 ASN ND2 N 15 116.262 . . . . . . . 178 N ND2 . 17935 1 1352 . 1 1 179 179 PHE H H 1 7.953 . . . . . . . 179 F H . 17935 1 1353 . 1 1 179 179 PHE HA H 1 3.905 . . . . . . . 179 F HA . 17935 1 1354 . 1 1 179 179 PHE HB3 H 1 3.118 . . . . . . . 179 F HB3 . 17935 1 1355 . 1 1 179 179 PHE HD1 H 1 6.764 . . . . . . . 179 F HD* . 17935 1 1356 . 1 1 179 179 PHE HD2 H 1 6.764 . . . . . . . 179 F HD* . 17935 1 1357 . 1 1 179 179 PHE HE1 H 1 7.099 . . . . . . . 179 F HE* . 17935 1 1358 . 1 1 179 179 PHE HE2 H 1 7.099 . . . . . . . 179 F HE* . 17935 1 1359 . 1 1 179 179 PHE CA C 13 61.405 . . . . . . . 179 F CA . 17935 1 1360 . 1 1 179 179 PHE CB C 13 38.471 . . . . . . . 179 F CB . 17935 1 1361 . 1 1 179 179 PHE N N 15 120.982 . . . . . . . 179 F N . 17935 1 1362 . 1 1 180 180 CYS H H 1 8.458 . . . . . . . 180 C H . 17935 1 1363 . 1 1 180 180 CYS HA H 1 3.842 . . . . . . . 180 C HA . 17935 1 1364 . 1 1 180 180 CYS HB2 H 1 3.793 . . . . . . . 180 C HB2 . 17935 1 1365 . 1 1 180 180 CYS HB3 H 1 2.721 . . . . . . . 180 C HB3 . 17935 1 1366 . 1 1 180 180 CYS HG H 1 2.034 . . . . . . . 180 C HG . 17935 1 1367 . 1 1 180 180 CYS CA C 13 65.974 . . . . . . . 180 C CA . 17935 1 1368 . 1 1 180 180 CYS CB C 13 25.996 . . . . . . . 180 C CB . 17935 1 1369 . 1 1 180 180 CYS N N 15 119.204 . . . . . . . 180 C N . 17935 1 1370 . 1 1 181 181 LYS H H 1 8.858 . . . . . . . 181 K H . 17935 1 1371 . 1 1 181 181 LYS HA H 1 4.612 . . . . . . . 181 K HA . 17935 1 1372 . 1 1 181 181 LYS HB3 H 1 1.850 . . . . . . . 181 K HB3 . 17935 1 1373 . 1 1 181 181 LYS HG3 H 1 1.061 . . . . . . . 181 K HG3 . 17935 1 1374 . 1 1 181 181 LYS HE3 H 1 3.185 . . . . . . . 181 K HE3 . 17935 1 1375 . 1 1 181 181 LYS HZ1 H 1 7.117 . . . . . . . 181 K HZ1 . 17935 1 1376 . 1 1 181 181 LYS HZ2 H 1 7.117 . . . . . . . 181 K HZ2 . 17935 1 1377 . 1 1 181 181 LYS HZ3 H 1 7.117 . . . . . . . 181 K HZ3 . 17935 1 1378 . 1 1 181 181 LYS CA C 13 60.305 . . . . . . . 181 K CA . 17935 1 1379 . 1 1 181 181 LYS CB C 13 32.311 . . . . . . . 181 K CB . 17935 1 1380 . 1 1 181 181 LYS N N 15 123.035 . . . . . . . 181 K N . 17935 1 1381 . 1 1 182 182 VAL H H 1 7.400 . . . . . . . 182 V H . 17935 1 1382 . 1 1 182 182 VAL HA H 1 3.673 . . . . . . . 182 V HA . 17935 1 1383 . 1 1 182 182 VAL HB H 1 2.343 . . . . . . . 182 V HB . 17935 1 1384 . 1 1 182 182 VAL HG21 H 1 1.033 . . . . . . . 182 V HG21 . 17935 1 1385 . 1 1 182 182 VAL HG22 H 1 1.033 . . . . . . . 182 V HG22 . 17935 1 1386 . 1 1 182 182 VAL HG23 H 1 1.033 . . . . . . . 182 V HG23 . 17935 1 1387 . 1 1 182 182 VAL CA C 13 66.155 . . . . . . . 182 V CA . 17935 1 1388 . 1 1 182 182 VAL CB C 13 30.992 . . . . . . . 182 V CB . 17935 1 1389 . 1 1 182 182 VAL N N 15 123.205 . . . . . . . 182 V N . 17935 1 1390 . 1 1 183 183 CYS H H 1 7.026 . . . . . . . 183 C H . 17935 1 1391 . 1 1 183 183 CYS HA H 1 4.073 . . . . . . . 183 C HA . 17935 1 1392 . 1 1 183 183 CYS HB2 H 1 2.721 . . . . . . . 183 C HB2 . 17935 1 1393 . 1 1 183 183 CYS HB3 H 1 3.149 . . . . . . . 183 C HB3 . 17935 1 1394 . 1 1 183 183 CYS HG H 1 1.459 . . . . . . . 183 C HG . 17935 1 1395 . 1 1 183 183 CYS CA C 13 60.785 . . . . . . . 183 C CA . 17935 1 1396 . 1 1 183 183 CYS CB C 13 26.968 . . . . . . . 183 C CB . 17935 1 1397 . 1 1 183 183 CYS N N 15 115.357 . . . . . . . 183 C N . 17935 1 1398 . 1 1 184 184 GLY H H 1 7.518 . . . . . . . 184 G H . 17935 1 1399 . 1 1 184 184 GLY HA2 H 1 3.531 . . . . . . . 184 G HA2 . 17935 1 1400 . 1 1 184 184 GLY HA3 H 1 4.181 . . . . . . . 184 G HA3 . 17935 1 1401 . 1 1 184 184 GLY CA C 13 44.716 . . . . . . . 184 G CA . 17935 1 1402 . 1 1 184 184 GLY N N 15 104.720 . . . . . . . 184 G N . 17935 1 1403 . 1 1 185 185 TYR H H 1 7.623 . . . . . . . 185 Y H . 17935 1 1404 . 1 1 185 185 TYR HA H 1 3.954 . . . . . . . 185 Y HA . 17935 1 1405 . 1 1 185 185 TYR HB2 H 1 2.186 . . . . . . . 185 Y HB2 . 17935 1 1406 . 1 1 185 185 TYR HB3 H 1 2.646 . . . . . . . 185 Y HB3 . 17935 1 1407 . 1 1 185 185 TYR HD1 H 1 7.125 . . . . . . . 185 Y HD* . 17935 1 1408 . 1 1 185 185 TYR HD2 H 1 7.125 . . . . . . . 185 Y HD* . 17935 1 1409 . 1 1 185 185 TYR HE1 H 1 6.621 . . . . . . . 185 Y HE* . 17935 1 1410 . 1 1 185 185 TYR HE2 H 1 6.621 . . . . . . . 185 Y HE* . 17935 1 1411 . 1 1 185 185 TYR CA C 13 60.059 . . . . . . . 185 Y CA . 17935 1 1412 . 1 1 185 185 TYR CB C 13 39.039 . . . . . . . 185 Y CB . 17935 1 1413 . 1 1 185 185 TYR N N 15 120.360 . . . . . . . 185 Y N . 17935 1 1414 . 1 1 186 186 LYS H H 1 8.155 . . . . . . . 186 K H . 17935 1 1415 . 1 1 186 186 LYS HA H 1 3.671 . . . . . . . 186 K HA . 17935 1 1416 . 1 1 186 186 LYS HB3 H 1 1.924 . . . . . . . 186 K HB3 . 17935 1 1417 . 1 1 186 186 LYS HG3 H 1 1.285 . . . . . . . 186 K HG3 . 17935 1 1418 . 1 1 186 186 LYS HZ1 H 1 7.138 . . . . . . . 186 K HZ1 . 17935 1 1419 . 1 1 186 186 LYS HZ2 H 1 7.138 . . . . . . . 186 K HZ2 . 17935 1 1420 . 1 1 186 186 LYS HZ3 H 1 7.138 . . . . . . . 186 K HZ3 . 17935 1 1421 . 1 1 186 186 LYS CA C 13 54.421 . . . . . . . 186 K CA . 17935 1 1422 . 1 1 186 186 LYS CB C 13 34.838 . . . . . . . 186 K CB . 17935 1 1423 . 1 1 186 186 LYS N N 15 120.912 . . . . . . . 186 K N . 17935 1 1424 . 1 1 187 187 PHE H H 1 8.688 . . . . . . . 187 F H . 17935 1 1425 . 1 1 187 187 PHE HA H 1 4.691 . . . . . . . 187 F HA . 17935 1 1426 . 1 1 187 187 PHE HD1 H 1 7.119 . . . . . . . 187 F HD* . 17935 1 1427 . 1 1 187 187 PHE HD2 H 1 7.119 . . . . . . . 187 F HD* . 17935 1 1428 . 1 1 187 187 PHE CA C 13 57.745 . . . . . . . 187 F CA . 17935 1 1429 . 1 1 187 187 PHE CB C 13 40.650 . . . . . . . 187 F CB . 17935 1 1430 . 1 1 187 187 PHE N N 15 121.846 . . . . . . . 187 F N . 17935 1 1431 . 1 1 188 188 GLU H H 1 8.108 . . . . . . . 188 E H . 17935 1 1432 . 1 1 188 188 GLU HA H 1 4.123 . . . . . . . 188 E HA . 17935 1 1433 . 1 1 188 188 GLU HG2 H 1 2.142 . . . . . . . 188 E HG2 . 17935 1 1434 . 1 1 188 188 GLU HG3 H 1 2.089 . . . . . . . 188 E HG3 . 17935 1 1435 . 1 1 188 188 GLU CA C 13 57.947 . . . . . . . 188 E CA . 17935 1 1436 . 1 1 188 188 GLU CB C 13 30.882 . . . . . . . 188 E CB . 17935 1 1437 . 1 1 188 188 GLU N N 15 126.584 . . . . . . . 188 E N . 17935 1 stop_ save_