data_17432 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17432 _Entry.Title ; Solution structure of murine myristoylated msrA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-27 _Entry.Accession_date 2011-01-27 _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 NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Gruschus . M. . 17432 2 Jungchae Lim . . . 17432 3 Grzegorz Piszczek . . . 17432 4 Rodney Levine . L. . 17432 5 Nico Tjandra . . . 17432 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17432 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'methionine (S)-S-oxide reductase' . 17432 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17432 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 17432 '15N chemical shifts' 196 17432 '1H chemical shifts' 421 17432 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 . . 2013-08-08 2011-01-27 update BMRB 'update entry citation' 17432 1 . . 2012-01-09 2011-01-27 original author 'original release' 17432 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L90 'BMRB Entry Tracking System' 17432 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17432 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22661718 _Citation.Full_citation . _Citation.Title 'Characterization and solution structure of mouse myristoylated methionine sulfoxide reductase A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 30 _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 25589 _Citation.Page_last 25595 _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 'Jung Chae' Lim . . . 17432 1 2 James Gruschus . M. . 17432 1 3 Bart Ghesquiere . . . 17432 1 4 Geumsoo Kim . . . 17432 1 5 Grzegorz Piszczek . . . 17432 1 6 Nico Tjandra . . . 17432 1 7 Rodney Levine . L. . 17432 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17432 _Assembly.ID 1 _Assembly.Name 'Myristoylated msrA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 msrA 1 $msrA A . yes native no no . . . 17432 1 2 'MYRISTIC ACID' 2 $MYR B . no native no no . . . 17432 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_msrA _Entity.Sf_category entity _Entity.Sf_framecode msrA _Entity.Entry_ID 17432 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name msrA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GDSASKVISAEEALPGRTEP IPVTAKHHVSGNRTVEPFPE GTQMAVFGMGCFWGAERKFW VLKGVYSTQVGFAGGHTRNP TYKEVCSEKTGHAEVVRVVY RPEHISFEELLKVFWENHDP TQGMRQGNDFGTQYRSAVYP TSAVQMEAALRSKEEYQKVL SKHNFGPITTDIREGQVFYY AEDYHQQYLSKNPDGYCGLG GTGVSCPMAIKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 212 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23679.752 _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 2L90 . "Solution Structure Of Murine Myristoylated Msra" . . . . . 100.00 212 100.00 100.00 2.43e-156 . . . . 17432 1 2 no DBJ BAB22035 . "unnamed protein product [Mus musculus]" . . . . . 100.00 233 99.53 99.53 6.63e-156 . . . . 17432 1 3 no DBJ BAB26522 . "unnamed protein product [Mus musculus]" . . . . . 100.00 233 100.00 100.00 2.81e-157 . . . . 17432 1 4 no DBJ BAC33889 . "unnamed protein product [Mus musculus]" . . . . . 100.00 233 100.00 100.00 2.81e-157 . . . . 17432 1 5 no GB AAH89311 . "Methionine sulfoxide reductase A [Mus musculus]" . . . . . 100.00 233 100.00 100.00 2.81e-157 . . . . 17432 1 6 no GB EDL36048 . "methionine sulfoxide reductase A, isoform CRA_c [Mus musculus]" . . . . . 100.00 233 100.00 100.00 2.81e-157 . . . . 17432 1 7 no REF NP_001240641 . "mitochondrial peptide methionine sulfoxide reductase isoform 1 [Mus musculus]" . . . . . 100.00 233 100.00 100.00 2.81e-157 . . . . 17432 1 8 no REF NP_001240645 . "mitochondrial peptide methionine sulfoxide reductase isoform 4 [Mus musculus]" . . . . . 88.68 191 100.00 100.00 2.45e-138 . . . . 17432 1 9 no REF NP_080598 . "mitochondrial peptide methionine sulfoxide reductase isoform 1 [Mus musculus]" . . . . . 100.00 233 100.00 100.00 2.81e-157 . . . . 17432 1 10 no REF XP_006518492 . "PREDICTED: mitochondrial peptide methionine sulfoxide reductase isoform X3 [Mus musculus]" . . . . . 79.72 169 100.00 100.00 5.00e-123 . . . . 17432 1 11 no REF XP_011243223 . "PREDICTED: mitochondrial peptide methionine sulfoxide reductase isoform X4 [Mus musculus]" . . . . . 88.68 196 100.00 100.00 1.87e-138 . . . . 17432 1 12 no SP Q9D6Y7 . "RecName: Full=Mitochondrial peptide methionine sulfoxide reductase; AltName: Full=Peptide-methionine (S)-S-oxide reductase; Sho" . . . . . 100.00 233 100.00 100.00 2.81e-157 . . . . 17432 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 . GLY . 17432 1 2 . ASP . 17432 1 3 . SER . 17432 1 4 . ALA . 17432 1 5 . SER . 17432 1 6 . LYS . 17432 1 7 . VAL . 17432 1 8 . ILE . 17432 1 9 . SER . 17432 1 10 . ALA . 17432 1 11 . GLU . 17432 1 12 . GLU . 17432 1 13 . ALA . 17432 1 14 . LEU . 17432 1 15 . PRO . 17432 1 16 . GLY . 17432 1 17 . ARG . 17432 1 18 . THR . 17432 1 19 . GLU . 17432 1 20 . PRO . 17432 1 21 . ILE . 17432 1 22 . PRO . 17432 1 23 . VAL . 17432 1 24 . THR . 17432 1 25 . ALA . 17432 1 26 . LYS . 17432 1 27 . HIS . 17432 1 28 . HIS . 17432 1 29 . VAL . 17432 1 30 . SER . 17432 1 31 . GLY . 17432 1 32 . ASN . 17432 1 33 . ARG . 17432 1 34 . THR . 17432 1 35 . VAL . 17432 1 36 . GLU . 17432 1 37 . PRO . 17432 1 38 . PHE . 17432 1 39 . PRO . 17432 1 40 . GLU . 17432 1 41 . GLY . 17432 1 42 . THR . 17432 1 43 . GLN . 17432 1 44 . MET . 17432 1 45 . ALA . 17432 1 46 . VAL . 17432 1 47 . PHE . 17432 1 48 . GLY . 17432 1 49 . MET . 17432 1 50 . GLY . 17432 1 51 . CYS . 17432 1 52 . PHE . 17432 1 53 . TRP . 17432 1 54 . GLY . 17432 1 55 . ALA . 17432 1 56 . GLU . 17432 1 57 . ARG . 17432 1 58 . LYS . 17432 1 59 . PHE . 17432 1 60 . TRP . 17432 1 61 . VAL . 17432 1 62 . LEU . 17432 1 63 . LYS . 17432 1 64 . GLY . 17432 1 65 . VAL . 17432 1 66 . TYR . 17432 1 67 . SER . 17432 1 68 . THR . 17432 1 69 . GLN . 17432 1 70 . VAL . 17432 1 71 . GLY . 17432 1 72 . PHE . 17432 1 73 . ALA . 17432 1 74 . GLY . 17432 1 75 . GLY . 17432 1 76 . HIS . 17432 1 77 . THR . 17432 1 78 . ARG . 17432 1 79 . ASN . 17432 1 80 . PRO . 17432 1 81 . THR . 17432 1 82 . TYR . 17432 1 83 . LYS . 17432 1 84 . GLU . 17432 1 85 . VAL . 17432 1 86 . CYS . 17432 1 87 . SER . 17432 1 88 . GLU . 17432 1 89 . LYS . 17432 1 90 . THR . 17432 1 91 . GLY . 17432 1 92 . HIS . 17432 1 93 . ALA . 17432 1 94 . GLU . 17432 1 95 . VAL . 17432 1 96 . VAL . 17432 1 97 . ARG . 17432 1 98 . VAL . 17432 1 99 . VAL . 17432 1 100 . TYR . 17432 1 101 . ARG . 17432 1 102 . PRO . 17432 1 103 . GLU . 17432 1 104 . HIS . 17432 1 105 . ILE . 17432 1 106 . SER . 17432 1 107 . PHE . 17432 1 108 . GLU . 17432 1 109 . GLU . 17432 1 110 . LEU . 17432 1 111 . LEU . 17432 1 112 . LYS . 17432 1 113 . VAL . 17432 1 114 . PHE . 17432 1 115 . TRP . 17432 1 116 . GLU . 17432 1 117 . ASN . 17432 1 118 . HIS . 17432 1 119 . ASP . 17432 1 120 . PRO . 17432 1 121 . THR . 17432 1 122 . GLN . 17432 1 123 . GLY . 17432 1 124 . MET . 17432 1 125 . ARG . 17432 1 126 . GLN . 17432 1 127 . GLY . 17432 1 128 . ASN . 17432 1 129 . ASP . 17432 1 130 . PHE . 17432 1 131 . GLY . 17432 1 132 . THR . 17432 1 133 . GLN . 17432 1 134 . TYR . 17432 1 135 . ARG . 17432 1 136 . SER . 17432 1 137 . ALA . 17432 1 138 . VAL . 17432 1 139 . TYR . 17432 1 140 . PRO . 17432 1 141 . THR . 17432 1 142 . SER . 17432 1 143 . ALA . 17432 1 144 . VAL . 17432 1 145 . GLN . 17432 1 146 . MET . 17432 1 147 . GLU . 17432 1 148 . ALA . 17432 1 149 . ALA . 17432 1 150 . LEU . 17432 1 151 . ARG . 17432 1 152 . SER . 17432 1 153 . LYS . 17432 1 154 . GLU . 17432 1 155 . GLU . 17432 1 156 . TYR . 17432 1 157 . GLN . 17432 1 158 . LYS . 17432 1 159 . VAL . 17432 1 160 . LEU . 17432 1 161 . SER . 17432 1 162 . LYS . 17432 1 163 . HIS . 17432 1 164 . ASN . 17432 1 165 . PHE . 17432 1 166 . GLY . 17432 1 167 . PRO . 17432 1 168 . ILE . 17432 1 169 . THR . 17432 1 170 . THR . 17432 1 171 . ASP . 17432 1 172 . ILE . 17432 1 173 . ARG . 17432 1 174 . GLU . 17432 1 175 . GLY . 17432 1 176 . GLN . 17432 1 177 . VAL . 17432 1 178 . PHE . 17432 1 179 . TYR . 17432 1 180 . TYR . 17432 1 181 . ALA . 17432 1 182 . GLU . 17432 1 183 . ASP . 17432 1 184 . TYR . 17432 1 185 . HIS . 17432 1 186 . GLN . 17432 1 187 . GLN . 17432 1 188 . TYR . 17432 1 189 . LEU . 17432 1 190 . SER . 17432 1 191 . LYS . 17432 1 192 . ASN . 17432 1 193 . PRO . 17432 1 194 . ASP . 17432 1 195 . GLY . 17432 1 196 . TYR . 17432 1 197 . CYS . 17432 1 198 . GLY . 17432 1 199 . LEU . 17432 1 200 . GLY . 17432 1 201 . GLY . 17432 1 202 . THR . 17432 1 203 . GLY . 17432 1 204 . VAL . 17432 1 205 . SER . 17432 1 206 . CYS . 17432 1 207 . PRO . 17432 1 208 . MET . 17432 1 209 . ALA . 17432 1 210 . ILE . 17432 1 211 . LYS . 17432 1 212 . LYS . 17432 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 . GLY 1 1 17432 1 . ASP 2 2 17432 1 . SER 3 3 17432 1 . ALA 4 4 17432 1 . SER 5 5 17432 1 . LYS 6 6 17432 1 . VAL 7 7 17432 1 . ILE 8 8 17432 1 . SER 9 9 17432 1 . ALA 10 10 17432 1 . GLU 11 11 17432 1 . GLU 12 12 17432 1 . ALA 13 13 17432 1 . LEU 14 14 17432 1 . PRO 15 15 17432 1 . GLY 16 16 17432 1 . ARG 17 17 17432 1 . THR 18 18 17432 1 . GLU 19 19 17432 1 . PRO 20 20 17432 1 . ILE 21 21 17432 1 . PRO 22 22 17432 1 . VAL 23 23 17432 1 . THR 24 24 17432 1 . ALA 25 25 17432 1 . LYS 26 26 17432 1 . HIS 27 27 17432 1 . HIS 28 28 17432 1 . VAL 29 29 17432 1 . SER 30 30 17432 1 . GLY 31 31 17432 1 . ASN 32 32 17432 1 . ARG 33 33 17432 1 . THR 34 34 17432 1 . VAL 35 35 17432 1 . GLU 36 36 17432 1 . PRO 37 37 17432 1 . PHE 38 38 17432 1 . PRO 39 39 17432 1 . GLU 40 40 17432 1 . GLY 41 41 17432 1 . THR 42 42 17432 1 . GLN 43 43 17432 1 . MET 44 44 17432 1 . ALA 45 45 17432 1 . VAL 46 46 17432 1 . PHE 47 47 17432 1 . GLY 48 48 17432 1 . MET 49 49 17432 1 . GLY 50 50 17432 1 . CYS 51 51 17432 1 . PHE 52 52 17432 1 . TRP 53 53 17432 1 . GLY 54 54 17432 1 . ALA 55 55 17432 1 . GLU 56 56 17432 1 . ARG 57 57 17432 1 . LYS 58 58 17432 1 . PHE 59 59 17432 1 . TRP 60 60 17432 1 . VAL 61 61 17432 1 . LEU 62 62 17432 1 . LYS 63 63 17432 1 . GLY 64 64 17432 1 . VAL 65 65 17432 1 . TYR 66 66 17432 1 . SER 67 67 17432 1 . THR 68 68 17432 1 . GLN 69 69 17432 1 . VAL 70 70 17432 1 . GLY 71 71 17432 1 . PHE 72 72 17432 1 . ALA 73 73 17432 1 . GLY 74 74 17432 1 . GLY 75 75 17432 1 . HIS 76 76 17432 1 . THR 77 77 17432 1 . ARG 78 78 17432 1 . ASN 79 79 17432 1 . PRO 80 80 17432 1 . THR 81 81 17432 1 . TYR 82 82 17432 1 . LYS 83 83 17432 1 . GLU 84 84 17432 1 . VAL 85 85 17432 1 . CYS 86 86 17432 1 . SER 87 87 17432 1 . GLU 88 88 17432 1 . LYS 89 89 17432 1 . THR 90 90 17432 1 . GLY 91 91 17432 1 . HIS 92 92 17432 1 . ALA 93 93 17432 1 . GLU 94 94 17432 1 . VAL 95 95 17432 1 . VAL 96 96 17432 1 . ARG 97 97 17432 1 . VAL 98 98 17432 1 . VAL 99 99 17432 1 . TYR 100 100 17432 1 . ARG 101 101 17432 1 . PRO 102 102 17432 1 . GLU 103 103 17432 1 . HIS 104 104 17432 1 . ILE 105 105 17432 1 . SER 106 106 17432 1 . PHE 107 107 17432 1 . GLU 108 108 17432 1 . GLU 109 109 17432 1 . LEU 110 110 17432 1 . LEU 111 111 17432 1 . LYS 112 112 17432 1 . VAL 113 113 17432 1 . PHE 114 114 17432 1 . TRP 115 115 17432 1 . GLU 116 116 17432 1 . ASN 117 117 17432 1 . HIS 118 118 17432 1 . ASP 119 119 17432 1 . PRO 120 120 17432 1 . THR 121 121 17432 1 . GLN 122 122 17432 1 . GLY 123 123 17432 1 . MET 124 124 17432 1 . ARG 125 125 17432 1 . GLN 126 126 17432 1 . GLY 127 127 17432 1 . ASN 128 128 17432 1 . ASP 129 129 17432 1 . PHE 130 130 17432 1 . GLY 131 131 17432 1 . THR 132 132 17432 1 . GLN 133 133 17432 1 . TYR 134 134 17432 1 . ARG 135 135 17432 1 . SER 136 136 17432 1 . ALA 137 137 17432 1 . VAL 138 138 17432 1 . TYR 139 139 17432 1 . PRO 140 140 17432 1 . THR 141 141 17432 1 . SER 142 142 17432 1 . ALA 143 143 17432 1 . VAL 144 144 17432 1 . GLN 145 145 17432 1 . MET 146 146 17432 1 . GLU 147 147 17432 1 . ALA 148 148 17432 1 . ALA 149 149 17432 1 . LEU 150 150 17432 1 . ARG 151 151 17432 1 . SER 152 152 17432 1 . LYS 153 153 17432 1 . GLU 154 154 17432 1 . GLU 155 155 17432 1 . TYR 156 156 17432 1 . GLN 157 157 17432 1 . LYS 158 158 17432 1 . VAL 159 159 17432 1 . LEU 160 160 17432 1 . SER 161 161 17432 1 . LYS 162 162 17432 1 . HIS 163 163 17432 1 . ASN 164 164 17432 1 . PHE 165 165 17432 1 . GLY 166 166 17432 1 . PRO 167 167 17432 1 . ILE 168 168 17432 1 . THR 169 169 17432 1 . THR 170 170 17432 1 . ASP 171 171 17432 1 . ILE 172 172 17432 1 . ARG 173 173 17432 1 . GLU 174 174 17432 1 . GLY 175 175 17432 1 . GLN 176 176 17432 1 . VAL 177 177 17432 1 . PHE 178 178 17432 1 . TYR 179 179 17432 1 . TYR 180 180 17432 1 . ALA 181 181 17432 1 . GLU 182 182 17432 1 . ASP 183 183 17432 1 . TYR 184 184 17432 1 . HIS 185 185 17432 1 . GLN 186 186 17432 1 . GLN 187 187 17432 1 . TYR 188 188 17432 1 . LEU 189 189 17432 1 . SER 190 190 17432 1 . LYS 191 191 17432 1 . ASN 192 192 17432 1 . PRO 193 193 17432 1 . ASP 194 194 17432 1 . GLY 195 195 17432 1 . TYR 196 196 17432 1 . CYS 197 197 17432 1 . GLY 198 198 17432 1 . LEU 199 199 17432 1 . GLY 200 200 17432 1 . GLY 201 201 17432 1 . THR 202 202 17432 1 . GLY 203 203 17432 1 . VAL 204 204 17432 1 . SER 205 205 17432 1 . CYS 206 206 17432 1 . PRO 207 207 17432 1 . MET 208 208 17432 1 . ALA 209 209 17432 1 . ILE 210 210 17432 1 . LYS 211 211 17432 1 . LYS 212 212 17432 1 stop_ save_ save_MYR _Entity.Sf_category entity _Entity.Sf_framecode MYR _Entity.Entry_ID 17432 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MYR _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MYR _Entity.Nonpolymer_comp_label $chem_comp_MYR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . MYR . 17432 2 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 17432 _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 $msrA . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17432 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 17432 _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 $msrA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET17b . . . . . . 17432 1 2 2 $MYR . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17432 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 17432 _Chem_comp.ID MYR _Chem_comp.Provenance . _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-07 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ICM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 10 14:19:04 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 17432 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17432 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.341 17432 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 17432 MYR InChI=1/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/f/h15H InChI InChI 1.02b 17432 MYR O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 10.04 17432 MYR TUNFSRHWOTWDNC-YAQRNVERCX InChIKey InChI 1.02b 17432 MYR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 17432 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17432 MYR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 6.748 . -0.653 . 3.744 . 0.121 0.000 -6.963 1 . 17432 MYR O1 . O1 . . O . . N 0 . . . . no no . . . . 6.160 . -1.704 . 3.756 . 1.327 0.000 -6.888 2 . 17432 MYR O2 . O2 . . O . . N 0 . . . . no yes . . . . 6.245 . 0.389 . 4.316 . -0.476 0.000 -8.164 3 . 17432 MYR C2 . C2 . . C . . N 0 . . . . no no . . . . 8.095 . -0.440 . 3.061 . -0.711 0.000 -5.706 4 . 17432 MYR C3 . C3 . . C . . N 0 . . . . no no . . . . 9.236 . -1.264 . 3.627 . 0.209 0.000 -4.484 5 . 17432 MYR C4 . C4 . . C . . N 0 . . . . no no . . . . 9.578 . -0.958 . 5.081 . -0.636 0.000 -3.209 6 . 17432 MYR C5 . C5 . . C . . N 0 . . . . no no . . . . 10.773 . -1.735 . 5.635 . 0.284 0.000 -1.987 7 . 17432 MYR C6 . C6 . . C . . N 0 . . . . no no . . . . 11.280 . -1.093 . 6.928 . -0.560 0.000 -0.712 8 . 17432 MYR C7 . C7 . . C . . N 0 . . . . no no . . . . 12.782 . -1.170 . 7.157 . 0.359 0.000 0.509 9 . 17432 MYR C8 . C8 . . C . . N 0 . . . . no no . . . . 13.305 . 0.171 . 7.667 . -0.485 0.000 1.785 10 . 17432 MYR C9 . C9 . . C . . N 0 . . . . no no . . . . 14.245 . 0.011 . 8.840 . 0.434 0.000 3.007 11 . 17432 MYR C10 . C10 . . C . . N 0 . . . . no no . . . . 14.363 . 1.259 . 9.699 . -0.410 0.000 4.282 12 . 17432 MYR C11 . C11 . . C . . N 0 . . . . no no . . . . 15.566 . 2.088 . 9.297 . 0.510 0.000 5.504 13 . 17432 MYR C12 . C12 . . C . . N 0 . . . . no no . . . . 15.613 . 3.507 . 9.835 . -0.335 0.000 6.779 14 . 17432 MYR C13 . C13 . . C . . N 0 . . . . no no . . . . 16.815 . 4.232 . 9.253 . 0.585 0.000 8.001 15 . 17432 MYR C14 . C14 . . C . . N 0 . . . . no no . . . . 17.118 . 5.584 . 9.876 . -0.259 0.000 9.277 16 . 17432 MYR HO2 . HO2 . . H . . N 0 . . . . no no . . . . 6.708 . 1.218 . 4.306 . 0.057 0.000 -8.970 17 . 17432 MYR H21 . H21 . . H . . N 0 . . . . no no . . . . 8.002 . -0.612 . 1.963 . -1.340 -0.890 -5.688 18 . 17432 MYR H22 . H22 . . H . . N 0 . . . . no no . . . . 8.362 . 0.642 . 3.065 . -1.340 0.890 -5.688 19 . 17432 MYR H31 . H31 . . H . . N 0 . . . . no no . . . . 9.029 . -2.352 . 3.497 . 0.838 0.890 -4.503 20 . 17432 MYR H32 . H32 . . H . . N 0 . . . . no no . . . . 10.142 . -1.163 . 2.985 . 0.838 -0.890 -4.503 21 . 17432 MYR H41 . H41 . . H . . N 0 . . . . no no . . . . 9.731 . 0.137 . 5.219 . -1.265 -0.890 -3.190 22 . 17432 MYR H42 . H42 . . H . . N 0 . . . . no no . . . . 8.683 . -1.111 . 5.728 . -1.265 0.890 -3.190 23 . 17432 MYR H51 . H51 . . H . . N 0 . . . . no no . . . . 10.535 . -2.815 . 5.774 . 0.913 0.890 -2.006 24 . 17432 MYR H52 . H52 . . H . . N 0 . . . . no no . . . . 11.585 . -1.839 . 4.878 . 0.913 -0.890 -2.006 25 . 17432 MYR H61 . H61 . . H . . N 0 . . . . no no . . . . 10.940 . -0.032 . 6.985 . -1.189 -0.890 -0.693 26 . 17432 MYR H62 . H62 . . H . . N 0 . . . . no no . . . . 10.739 . -1.522 . 7.803 . -1.189 0.890 -0.693 27 . 17432 MYR H71 . H71 . . H . . N 0 . . . . no no . . . . 13.057 . -2.010 . 7.835 . 0.988 0.890 0.490 28 . 17432 MYR H72 . H72 . . H . . N 0 . . . . no no . . . . 13.326 . -1.510 . 6.245 . 0.988 -0.890 0.490 29 . 17432 MYR H81 . H81 . . H . . N 0 . . . . no no . . . . 13.781 . 0.756 . 6.846 . -1.114 -0.890 1.804 30 . 17432 MYR H82 . H82 . . H . . N 0 . . . . no no . . . . 12.466 . 0.862 . 7.914 . -1.114 0.890 1.804 31 . 17432 MYR H91 . H91 . . H . . N 0 . . . . no no . . . . 13.954 . -0.868 . 9.460 . 1.063 0.890 2.988 32 . 17432 MYR H92 . H92 . . H . . N 0 . . . . no no . . . . 15.250 . -0.327 . 8.496 . 1.063 -0.890 2.988 33 . 17432 MYR H101 . H101 . . H . . N 0 . . . . no no . . . . 13.424 . 1.861 . 9.678 . -1.039 -0.890 4.301 34 . 17432 MYR H102 . H102 . . H . . N 0 . . . . no no . . . . 14.381 . 1.008 . 10.785 . -1.039 0.890 4.301 35 . 17432 MYR H111 . H111 . . H . . N 0 . . . . no no . . . . 16.503 . 1.549 . 9.571 . 1.139 0.890 5.485 36 . 17432 MYR H112 . H112 . . H . . N 0 . . . . no no . . . . 15.659 . 2.102 . 8.186 . 1.139 -0.890 5.485 37 . 17432 MYR H121 . H121 . . H . . N 0 . . . . no no . . . . 14.660 . 4.057 . 9.653 . -0.964 -0.890 6.798 38 . 17432 MYR H122 . H122 . . H . . N 0 . . . . no no . . . . 15.603 . 3.535 . 10.949 . -0.964 0.890 6.798 39 . 17432 MYR H131 . H131 . . H . . N 0 . . . . no no . . . . 17.716 . 3.577 . 9.298 . 1.214 0.890 7.982 40 . 17432 MYR H132 . H132 . . H . . N 0 . . . . no no . . . . 16.703 . 4.334 . 8.148 . 1.214 -0.890 7.982 41 . 17432 MYR H141 . H141 . . H . . N 0 . . . . no no . . . . 18.000 . 6.116 . 9.449 . 0.395 0.000 10.147 42 . 17432 MYR H142 . H142 . . H . . N 0 . . . . no no . . . . 16.216 . 6.238 . 9.830 . -0.889 0.890 9.296 43 . 17432 MYR H143 . H143 . . H . . N 0 . . . . no no . . . . 17.229 . 5.481 . 10.980 . -0.889 -0.890 9.296 44 . 17432 MYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 17432 MYR 2 . SING C1 O2 no N 2 . 17432 MYR 3 . SING C1 C2 no N 3 . 17432 MYR 4 . SING O2 HO2 no N 4 . 17432 MYR 5 . SING C2 C3 no N 5 . 17432 MYR 6 . SING C2 H21 no N 6 . 17432 MYR 7 . SING C2 H22 no N 7 . 17432 MYR 8 . SING C3 C4 no N 8 . 17432 MYR 9 . SING C3 H31 no N 9 . 17432 MYR 10 . SING C3 H32 no N 10 . 17432 MYR 11 . SING C4 C5 no N 11 . 17432 MYR 12 . SING C4 H41 no N 12 . 17432 MYR 13 . SING C4 H42 no N 13 . 17432 MYR 14 . SING C5 C6 no N 14 . 17432 MYR 15 . SING C5 H51 no N 15 . 17432 MYR 16 . SING C5 H52 no N 16 . 17432 MYR 17 . SING C6 C7 no N 17 . 17432 MYR 18 . SING C6 H61 no N 18 . 17432 MYR 19 . SING C6 H62 no N 19 . 17432 MYR 20 . SING C7 C8 no N 20 . 17432 MYR 21 . SING C7 H71 no N 21 . 17432 MYR 22 . SING C7 H72 no N 22 . 17432 MYR 23 . SING C8 C9 no N 23 . 17432 MYR 24 . SING C8 H81 no N 24 . 17432 MYR 25 . SING C8 H82 no N 25 . 17432 MYR 26 . SING C9 C10 no N 26 . 17432 MYR 27 . SING C9 H91 no N 27 . 17432 MYR 28 . SING C9 H92 no N 28 . 17432 MYR 29 . SING C10 C11 no N 29 . 17432 MYR 30 . SING C10 H101 no N 30 . 17432 MYR 31 . SING C10 H102 no N 31 . 17432 MYR 32 . SING C11 C12 no N 32 . 17432 MYR 33 . SING C11 H111 no N 33 . 17432 MYR 34 . SING C11 H112 no N 34 . 17432 MYR 35 . SING C12 C13 no N 35 . 17432 MYR 36 . SING C12 H121 no N 36 . 17432 MYR 37 . SING C12 H122 no N 37 . 17432 MYR 38 . SING C13 C14 no N 38 . 17432 MYR 39 . SING C13 H131 no N 39 . 17432 MYR 40 . SING C13 H132 no N 40 . 17432 MYR 41 . SING C14 H141 no N 41 . 17432 MYR 42 . SING C14 H142 no N 42 . 17432 MYR 43 . SING C14 H143 no N 43 . 17432 MYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17432 _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 msrA '[U-98% 13C; U-98% 15N]' . . 1 $msrA . . 0.3 . . mM 0.05 . . . 17432 1 2 DTT 'natural abundance' . . . . . . 5 . . mM .2 . . . 17432 1 3 TRIS 'natural abundance' . . . . . . 50 . . mM 1 . . . 17432 1 4 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 17432 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17432 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17432 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17432 _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 17432 1 pressure 1 . atm 17432 1 temperature 300 . K 17432 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17432 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17432 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17432 1 'structure solution' 17432 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17432 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17432 _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 . 800 . . . 17432 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 17432 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17432 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17432 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17432 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17432 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17432 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 17432 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 17432 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17432 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 17432 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 17432 _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 2 '2D 1H-15N HSQC' . . . 17432 1 3 '2D 1H-13C HSQC aliphatic' . . . 17432 1 4 '3D CBCA(CO)NH' . . . 17432 1 5 '3D HNCACB' . . . 17432 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 2 2 ASP CA C 13 54.8 0.2 . 1 . . . A 2 ASP CA . 17432 1 2 . 1 1 2 2 ASP CB C 13 40.6 0.2 . 1 . . . A 2 ASP CB . 17432 1 3 . 1 1 3 3 SER H H 1 8.25 0.02 . 1 . . . A 3 SER H . 17432 1 4 . 1 1 3 3 SER CA C 13 60.567 0.2 . 1 . . . A 3 SER CA . 17432 1 5 . 1 1 3 3 SER CB C 13 63.7 0.2 . 1 . . . A 3 SER CB . 17432 1 6 . 1 1 3 3 SER N N 15 115.52 0.1 . 1 . . . A 3 SER N . 17432 1 7 . 1 1 4 4 ALA H H 1 8.2 0.02 . 1 . . . A 4 ALA H . 17432 1 8 . 1 1 4 4 ALA HA H 1 4.1 0.02 . 1 . . . A 4 ALA HA . 17432 1 9 . 1 1 4 4 ALA CA C 13 54.322 0.2 . 1 . . . A 4 ALA CA . 17432 1 10 . 1 1 4 4 ALA CB C 13 18.692 0.2 . 1 . . . A 4 ALA CB . 17432 1 11 . 1 1 4 4 ALA N N 15 123.5 0.1 . 1 . . . A 4 ALA N . 17432 1 12 . 1 1 5 5 SER H H 1 7.92 0.02 . 1 . . . A 5 SER H . 17432 1 13 . 1 1 5 5 SER HA H 1 4.35 0.02 . 1 . . . A 5 SER HA . 17432 1 14 . 1 1 5 5 SER CA C 13 59.255 0.2 . 1 . . . A 5 SER CA . 17432 1 15 . 1 1 5 5 SER CB C 13 63.333 0.2 . 1 . . . A 5 SER CB . 17432 1 16 . 1 1 5 5 SER N N 15 112.06 0.1 . 1 . . . A 5 SER N . 17432 1 17 . 1 1 6 6 LYS H H 1 7.85 0.02 . 1 . . . A 6 LYS H . 17432 1 18 . 1 1 6 6 LYS HA H 1 4.29 0.02 . 1 . . . A 6 LYS HA . 17432 1 19 . 1 1 6 6 LYS CA C 13 56.065 0.2 . 1 . . . A 6 LYS CA . 17432 1 20 . 1 1 6 6 LYS CB C 13 33.179 0.2 . 1 . . . A 6 LYS CB . 17432 1 21 . 1 1 6 6 LYS N N 15 120.17 0.1 . 1 . . . A 6 LYS N . 17432 1 22 . 1 1 7 7 VAL H H 1 7.7 0.02 . 1 . . . A 7 VAL H . 17432 1 23 . 1 1 7 7 VAL HA H 1 4.06 0.02 . 1 . . . A 7 VAL HA . 17432 1 24 . 1 1 7 7 VAL CA C 13 62.63 0.2 . 1 . . . A 7 VAL CA . 17432 1 25 . 1 1 7 7 VAL CB C 13 32.081 0.2 . 1 . . . A 7 VAL CB . 17432 1 26 . 1 1 7 7 VAL N N 15 119.88 0.1 . 1 . . . A 7 VAL N . 17432 1 27 . 1 1 8 8 ILE H H 1 7.73 0.02 . 1 . . . A 8 ILE H . 17432 1 28 . 1 1 8 8 ILE HA H 1 3.94 0.02 . 1 . . . A 8 ILE HA . 17432 1 29 . 1 1 8 8 ILE CA C 13 61.435 0.2 . 1 . . . A 8 ILE CA . 17432 1 30 . 1 1 8 8 ILE CB C 13 39.159 0.2 . 1 . . . A 8 ILE CB . 17432 1 31 . 1 1 8 8 ILE N N 15 127.46 0.1 . 1 . . . A 8 ILE N . 17432 1 32 . 1 1 9 9 SER H H 1 8.04 0.02 . 1 . . . A 9 SER H . 17432 1 33 . 1 1 9 9 SER HA H 1 4.29 0.02 . 1 . . . A 9 SER HA . 17432 1 34 . 1 1 9 9 SER CA C 13 57.503 0.2 . 1 . . . A 9 SER CA . 17432 1 35 . 1 1 9 9 SER CB C 13 65 0.2 . 1 . . . A 9 SER CB . 17432 1 36 . 1 1 9 9 SER N N 15 120.31 0.1 . 1 . . . A 9 SER N . 17432 1 37 . 1 1 10 10 ALA H H 1 8.36 0.02 . 1 . . . A 10 ALA H . 17432 1 38 . 1 1 10 10 ALA HA H 1 2.67 0.02 . 1 . . . A 10 ALA HA . 17432 1 39 . 1 1 10 10 ALA CA C 13 54.322 0.2 . 1 . . . A 10 ALA CA . 17432 1 40 . 1 1 10 10 ALA CB C 13 18.261 0.2 . 1 . . . A 10 ALA CB . 17432 1 41 . 1 1 10 10 ALA N N 15 123.19 0.1 . 1 . . . A 10 ALA N . 17432 1 42 . 1 1 11 11 GLU H H 1 8.38 0.02 . 1 . . . A 11 GLU H . 17432 1 43 . 1 1 11 11 GLU HA H 1 3.9 0.02 . 1 . . . A 11 GLU HA . 17432 1 44 . 1 1 11 11 GLU CA C 13 59.004 0.2 . 1 . . . A 11 GLU CA . 17432 1 45 . 1 1 11 11 GLU CB C 13 29 0.2 . 1 . . . A 11 GLU CB . 17432 1 46 . 1 1 11 11 GLU N N 15 114.46 0.1 . 1 . . . A 11 GLU N . 17432 1 47 . 1 1 12 12 GLU H H 1 7.1 0.02 . 1 . . . A 12 GLU H . 17432 1 48 . 1 1 12 12 GLU HA H 1 4.22 0.02 . 1 . . . A 12 GLU HA . 17432 1 49 . 1 1 12 12 GLU CA C 13 55.608 0.2 . 1 . . . A 12 GLU CA . 17432 1 50 . 1 1 12 12 GLU CB C 13 31.208 0.2 . 1 . . . A 12 GLU CB . 17432 1 51 . 1 1 12 12 GLU N N 15 116.68 0.1 . 1 . . . A 12 GLU N . 17432 1 52 . 1 1 13 13 ALA H H 1 7 0.02 . 1 . . . A 13 ALA H . 17432 1 53 . 1 1 13 13 ALA HA H 1 4.33 0.02 . 1 . . . A 13 ALA HA . 17432 1 54 . 1 1 13 13 ALA CA C 13 51.272 0.2 . 1 . . . A 13 ALA CA . 17432 1 55 . 1 1 13 13 ALA CB C 13 20.246 0.2 . 1 . . . A 13 ALA CB . 17432 1 56 . 1 1 13 13 ALA N N 15 121.31 0.1 . 1 . . . A 13 ALA N . 17432 1 57 . 1 1 14 14 LEU H H 1 7.65 0.02 . 1 . . . A 14 LEU H . 17432 1 58 . 1 1 14 14 LEU HA H 1 4.33 0.02 . 1 . . . A 14 LEU HA . 17432 1 59 . 1 1 14 14 LEU CA C 13 53.179 0.2 . 1 . . . A 14 LEU CA . 17432 1 60 . 1 1 14 14 LEU CB C 13 40.496 0.2 . 1 . . . A 14 LEU CB . 17432 1 61 . 1 1 14 14 LEU N N 15 119.75 0.1 . 1 . . . A 14 LEU N . 17432 1 62 . 1 1 15 15 PRO HA H 1 4.39 0.02 . 1 . . . A 15 PRO HA . 17432 1 63 . 1 1 16 16 GLY H H 1 8.44 0.02 . 1 . . . A 16 GLY H . 17432 1 64 . 1 1 16 16 GLY HA2 H 1 4.39 0.02 . 2 . . . A 16 GLY HA2 . 17432 1 65 . 1 1 16 16 GLY HA3 H 1 3.44 0.02 . 2 . . . A 16 GLY HA3 . 17432 1 66 . 1 1 16 16 GLY CA C 13 45.078 0.2 . 1 . . . A 16 GLY CA . 17432 1 67 . 1 1 16 16 GLY N N 15 109.28 0.1 . 1 . . . A 16 GLY N . 17432 1 68 . 1 1 17 17 ARG H H 1 7.89 0.02 . 1 . . . A 17 ARG H . 17432 1 69 . 1 1 17 17 ARG HA H 1 4.89 0.02 . 1 . . . A 17 ARG HA . 17432 1 70 . 1 1 17 17 ARG CA C 13 54.689 0.2 . 1 . . . A 17 ARG CA . 17432 1 71 . 1 1 17 17 ARG CB C 13 29.414 0.2 . 1 . . . A 17 ARG CB . 17432 1 72 . 1 1 17 17 ARG N N 15 117.65 0.1 . 1 . . . A 17 ARG N . 17432 1 73 . 1 1 18 18 THR H H 1 8.52 0.02 . 1 . . . A 18 THR H . 17432 1 74 . 1 1 18 18 THR HA H 1 3.97 0.02 . 1 . . . A 18 THR HA . 17432 1 75 . 1 1 18 18 THR CA C 13 63.508 0.2 . 1 . . . A 18 THR CA . 17432 1 76 . 1 1 18 18 THR CB C 13 69.008 0.2 . 1 . . . A 18 THR CB . 17432 1 77 . 1 1 18 18 THR N N 15 112.5 0.1 . 1 . . . A 18 THR N . 17432 1 78 . 1 1 19 19 GLU H H 1 7.72 0.02 . 1 . . . A 19 GLU H . 17432 1 79 . 1 1 19 19 GLU HA H 1 4.6 0.02 . 1 . . . A 19 GLU HA . 17432 1 80 . 1 1 19 19 GLU CA C 13 53.351 0.2 . 1 . . . A 19 GLU CA . 17432 1 81 . 1 1 19 19 GLU CB C 13 29.749 0.2 . 1 . . . A 19 GLU CB . 17432 1 82 . 1 1 19 19 GLU N N 15 123.76 0.1 . 1 . . . A 19 GLU N . 17432 1 83 . 1 1 20 20 PRO HA H 1 4.46 0.02 . 1 . . . A 20 PRO HA . 17432 1 84 . 1 1 20 20 PRO CA C 13 61.112 0.2 . 1 . . . A 20 PRO CA . 17432 1 85 . 1 1 20 20 PRO CB C 13 32.632 0.2 . 1 . . . A 20 PRO CB . 17432 1 86 . 1 1 21 21 ILE H H 1 8.59 0.02 . 1 . . . A 21 ILE H . 17432 1 87 . 1 1 21 21 ILE HA H 1 4.2 0.02 . 1 . . . A 21 ILE HA . 17432 1 88 . 1 1 21 21 ILE CA C 13 58.71 0.2 . 1 . . . A 21 ILE CA . 17432 1 89 . 1 1 21 21 ILE CB C 13 38.419 0.2 . 1 . . . A 21 ILE CB . 17432 1 90 . 1 1 21 21 ILE N N 15 125.25 0.1 . 1 . . . A 21 ILE N . 17432 1 91 . 1 1 22 22 PRO HA H 1 4.54 0.02 . 1 . . . A 22 PRO HA . 17432 1 92 . 1 1 22 22 PRO CA C 13 62.078 0.2 . 1 . . . A 22 PRO CA . 17432 1 93 . 1 1 22 22 PRO CB C 13 32.107 0.2 . 1 . . . A 22 PRO CB . 17432 1 94 . 1 1 23 23 VAL H H 1 7.75 0.02 . 1 . . . A 23 VAL H . 17432 1 95 . 1 1 23 23 VAL HA H 1 4.5 0.02 . 1 . . . A 23 VAL HA . 17432 1 96 . 1 1 23 23 VAL CA C 13 59.32 0.2 . 1 . . . A 23 VAL CA . 17432 1 97 . 1 1 23 23 VAL CB C 13 32.174 0.2 . 1 . . . A 23 VAL CB . 17432 1 98 . 1 1 23 23 VAL N N 15 113.811 0.1 . 1 . . . A 23 VAL N . 17432 1 99 . 1 1 24 24 THR H H 1 8.82 0.02 . 1 . . . A 24 THR H . 17432 1 100 . 1 1 24 24 THR HA H 1 4.09 0.02 . 1 . . . A 24 THR HA . 17432 1 101 . 1 1 24 24 THR CA C 13 63.754 0.2 . 1 . . . A 24 THR CA . 17432 1 102 . 1 1 24 24 THR CB C 13 68.397 0.2 . 1 . . . A 24 THR CB . 17432 1 103 . 1 1 24 24 THR N N 15 119.85 0.1 . 1 . . . A 24 THR N . 17432 1 104 . 1 1 25 25 ALA H H 1 8.34 0.02 . 1 . . . A 25 ALA H . 17432 1 105 . 1 1 25 25 ALA HA H 1 4.22 0.02 . 1 . . . A 25 ALA HA . 17432 1 106 . 1 1 25 25 ALA CA C 13 54.102 0.2 . 1 . . . A 25 ALA CA . 17432 1 107 . 1 1 25 25 ALA CB C 13 19.705 0.2 . 1 . . . A 25 ALA CB . 17432 1 108 . 1 1 25 25 ALA N N 15 124.73 0.1 . 1 . . . A 25 ALA N . 17432 1 109 . 1 1 26 26 LYS H H 1 6.87 0.02 . 1 . . . A 26 LYS H . 17432 1 110 . 1 1 26 26 LYS HA H 1 4.81 0.02 . 1 . . . A 26 LYS HA . 17432 1 111 . 1 1 26 26 LYS CA C 13 54.21 0.2 . 1 . . . A 26 LYS CA . 17432 1 112 . 1 1 26 26 LYS CB C 13 35.807 0.2 . 1 . . . A 26 LYS CB . 17432 1 113 . 1 1 26 26 LYS N N 15 116.3 0.1 . 1 . . . A 26 LYS N . 17432 1 114 . 1 1 27 27 HIS H H 1 9.47 0.02 . 1 . . . A 27 HIS H . 17432 1 115 . 1 1 27 27 HIS HA H 1 3.93 0.02 . 1 . . . A 27 HIS HA . 17432 1 116 . 1 1 27 27 HIS CA C 13 58.414 0.2 . 1 . . . A 27 HIS CA . 17432 1 117 . 1 1 27 27 HIS CB C 13 35.941 0.2 . 1 . . . A 27 HIS CB . 17432 1 118 . 1 1 27 27 HIS N N 15 127.22 0.1 . 1 . . . A 27 HIS N . 17432 1 119 . 1 1 28 28 HIS H H 1 9.03 0.02 . 1 . . . A 28 HIS H . 17432 1 120 . 1 1 28 28 HIS HA H 1 3.91 0.02 . 1 . . . A 28 HIS HA . 17432 1 121 . 1 1 28 28 HIS CA C 13 61.657 0.2 . 1 . . . A 28 HIS CA . 17432 1 122 . 1 1 28 28 HIS CB C 13 33.648 0.2 . 1 . . . A 28 HIS CB . 17432 1 123 . 1 1 28 28 HIS N N 15 128.9 0.1 . 1 . . . A 28 HIS N . 17432 1 124 . 1 1 29 29 VAL H H 1 8.09 0.02 . 1 . . . A 29 VAL H . 17432 1 125 . 1 1 29 29 VAL HA H 1 3.61 0.02 . 1 . . . A 29 VAL HA . 17432 1 126 . 1 1 29 29 VAL CA C 13 63.919 0.2 . 1 . . . A 29 VAL CA . 17432 1 127 . 1 1 29 29 VAL CB C 13 32.358 0.2 . 1 . . . A 29 VAL CB . 17432 1 128 . 1 1 29 29 VAL N N 15 114.64 0.1 . 1 . . . A 29 VAL N . 17432 1 129 . 1 1 30 30 SER H H 1 8.32 0.02 . 1 . . . A 30 SER H . 17432 1 130 . 1 1 30 30 SER HA H 1 4.23 0.02 . 1 . . . A 30 SER HA . 17432 1 131 . 1 1 30 30 SER CA C 13 58.461 0.2 . 1 . . . A 30 SER CA . 17432 1 132 . 1 1 30 30 SER CB C 13 65.451 0.2 . 1 . . . A 30 SER CB . 17432 1 133 . 1 1 30 30 SER N N 15 112.04 0.1 . 1 . . . A 30 SER N . 17432 1 134 . 1 1 31 31 GLY H H 1 7.86 0.02 . 1 . . . A 31 GLY H . 17432 1 135 . 1 1 31 31 GLY HA2 H 1 4.24 0.02 . 2 . . . A 31 GLY HA2 . 17432 1 136 . 1 1 31 31 GLY HA3 H 1 3.75 0.02 . 2 . . . A 31 GLY HA3 . 17432 1 137 . 1 1 31 31 GLY CA C 13 45.77 0.2 . 1 . . . A 31 GLY CA . 17432 1 138 . 1 1 31 31 GLY N N 15 109.7 0.1 . 1 . . . A 31 GLY N . 17432 1 139 . 1 1 32 32 ASN H H 1 7.58 0.02 . 1 . . . A 32 ASN H . 17432 1 140 . 1 1 32 32 ASN HA H 1 4.71 0.02 . 1 . . . A 32 ASN HA . 17432 1 141 . 1 1 32 32 ASN CA C 13 52.027 0.2 . 1 . . . A 32 ASN CA . 17432 1 142 . 1 1 32 32 ASN CB C 13 37.241 0.2 . 1 . . . A 32 ASN CB . 17432 1 143 . 1 1 32 32 ASN N N 15 118.75 0.1 . 1 . . . A 32 ASN N . 17432 1 144 . 1 1 33 33 ARG H H 1 8.04 0.02 . 1 . . . A 33 ARG H . 17432 1 145 . 1 1 33 33 ARG HA H 1 4.7 0.02 . 1 . . . A 33 ARG HA . 17432 1 146 . 1 1 33 33 ARG CA C 13 50.423 0.2 . 1 . . . A 33 ARG CA . 17432 1 147 . 1 1 33 33 ARG CB C 13 31.614 0.2 . 1 . . . A 33 ARG CB . 17432 1 148 . 1 1 33 33 ARG N N 15 117.16 0.1 . 1 . . . A 33 ARG N . 17432 1 149 . 1 1 34 34 THR H H 1 8.24 0.02 . 1 . . . A 34 THR H . 17432 1 150 . 1 1 34 34 THR HA H 1 4.47 0.02 . 1 . . . A 34 THR HA . 17432 1 151 . 1 1 34 34 THR CA C 13 60.839 0.2 . 1 . . . A 34 THR CA . 17432 1 152 . 1 1 34 34 THR N N 15 109.318 0.1 . 1 . . . A 34 THR N . 17432 1 153 . 1 1 35 35 VAL H H 1 6.99 0.02 . 1 . . . A 35 VAL H . 17432 1 154 . 1 1 35 35 VAL HA H 1 4.25 0.02 . 1 . . . A 35 VAL HA . 17432 1 155 . 1 1 35 35 VAL CA C 13 58.6 0.2 . 1 . . . A 35 VAL CA . 17432 1 156 . 1 1 35 35 VAL CB C 13 35.72 0.2 . 1 . . . A 35 VAL CB . 17432 1 157 . 1 1 35 35 VAL N N 15 116.46 0.1 . 1 . . . A 35 VAL N . 17432 1 158 . 1 1 36 36 GLU H H 1 8.22 0.02 . 1 . . . A 36 GLU H . 17432 1 159 . 1 1 36 36 GLU HA H 1 3.02 0.02 . 1 . . . A 36 GLU HA . 17432 1 160 . 1 1 36 36 GLU CA C 13 55.381 0.2 . 1 . . . A 36 GLU CA . 17432 1 161 . 1 1 36 36 GLU CB C 13 28.652 0.2 . 1 . . . A 36 GLU CB . 17432 1 162 . 1 1 36 36 GLU N N 15 120.91 0.1 . 1 . . . A 36 GLU N . 17432 1 163 . 1 1 37 37 PRO HA H 1 4.47 0.02 . 1 . . . A 37 PRO HA . 17432 1 164 . 1 1 37 37 PRO CA C 13 61.343 0.2 . 1 . . . A 37 PRO CA . 17432 1 165 . 1 1 37 37 PRO CB C 13 33.891 0.2 . 1 . . . A 37 PRO CB . 17432 1 166 . 1 1 38 38 PHE H H 1 8.71 0.02 . 1 . . . A 38 PHE H . 17432 1 167 . 1 1 38 38 PHE HA H 1 4.61 0.02 . 1 . . . A 38 PHE HA . 17432 1 168 . 1 1 38 38 PHE CA C 13 56.51 0.2 . 1 . . . A 38 PHE CA . 17432 1 169 . 1 1 38 38 PHE CB C 13 37.373 0.2 . 1 . . . A 38 PHE CB . 17432 1 170 . 1 1 38 38 PHE N N 15 123.87 0.1 . 1 . . . A 38 PHE N . 17432 1 171 . 1 1 39 39 PRO HA H 1 4.17 0.02 . 1 . . . A 39 PRO HA . 17432 1 172 . 1 1 39 39 PRO CA C 13 63.408 0.2 . 1 . . . A 39 PRO CA . 17432 1 173 . 1 1 39 39 PRO CB C 13 31.698 0.2 . 1 . . . A 39 PRO CB . 17432 1 174 . 1 1 40 40 GLU H H 1 8.78 0.02 . 1 . . . A 40 GLU H . 17432 1 175 . 1 1 40 40 GLU HA H 1 4.02 0.02 . 1 . . . A 40 GLU HA . 17432 1 176 . 1 1 40 40 GLU CA C 13 57.916 0.2 . 1 . . . A 40 GLU CA . 17432 1 177 . 1 1 40 40 GLU CB C 13 29.321 0.2 . 1 . . . A 40 GLU CB . 17432 1 178 . 1 1 40 40 GLU N N 15 124.58 0.1 . 1 . . . A 40 GLU N . 17432 1 179 . 1 1 41 41 GLY H H 1 8.8 0.02 . 1 . . . A 41 GLY H . 17432 1 180 . 1 1 41 41 GLY HA2 H 1 4.26 0.02 . 2 . . . A 41 GLY HA2 . 17432 1 181 . 1 1 41 41 GLY CA C 13 45.141 0.2 . 1 . . . A 41 GLY CA . 17432 1 182 . 1 1 41 41 GLY N N 15 112.3 0.1 . 1 . . . A 41 GLY N . 17432 1 183 . 1 1 42 42 THR H H 1 7.4 0.02 . 1 . . . A 42 THR H . 17432 1 184 . 1 1 42 42 THR HA H 1 4.6 0.02 . 1 . . . A 42 THR HA . 17432 1 185 . 1 1 42 42 THR CA C 13 60.257 0.2 . 1 . . . A 42 THR CA . 17432 1 186 . 1 1 42 42 THR CB C 13 71.761 0.2 . 1 . . . A 42 THR CB . 17432 1 187 . 1 1 42 42 THR N N 15 107.87 0.1 . 1 . . . A 42 THR N . 17432 1 188 . 1 1 43 43 GLN H H 1 8.35 0.02 . 1 . . . A 43 GLN H . 17432 1 189 . 1 1 43 43 GLN HA H 1 4.34 0.02 . 1 . . . A 43 GLN HA . 17432 1 190 . 1 1 43 43 GLN CA C 13 53.427 0.2 . 1 . . . A 43 GLN CA . 17432 1 191 . 1 1 43 43 GLN CB C 13 32.787 0.2 . 1 . . . A 43 GLN CB . 17432 1 192 . 1 1 43 43 GLN N N 15 118.88 0.1 . 1 . . . A 43 GLN N . 17432 1 193 . 1 1 44 44 MET H H 1 8.29 0.02 . 1 . . . A 44 MET H . 17432 1 194 . 1 1 44 44 MET HA H 1 5.59 0.02 . 1 . . . A 44 MET HA . 17432 1 195 . 1 1 44 44 MET CA C 13 53.959 0.2 . 1 . . . A 44 MET CA . 17432 1 196 . 1 1 44 44 MET CB C 13 36.822 0.2 . 1 . . . A 44 MET CB . 17432 1 197 . 1 1 44 44 MET N N 15 115.81 0.1 . 1 . . . A 44 MET N . 17432 1 198 . 1 1 45 45 ALA H H 1 9.08 0.02 . 1 . . . A 45 ALA H . 17432 1 199 . 1 1 45 45 ALA HA H 1 4.84 0.02 . 1 . . . A 45 ALA HA . 17432 1 200 . 1 1 45 45 ALA CA C 13 49.81 0.2 . 1 . . . A 45 ALA CA . 17432 1 201 . 1 1 45 45 ALA CB C 13 23.76 0.2 . 1 . . . A 45 ALA CB . 17432 1 202 . 1 1 45 45 ALA N N 15 125.78 0.1 . 1 . . . A 45 ALA N . 17432 1 203 . 1 1 46 46 VAL H H 1 7.81 0.02 . 1 . . . A 46 VAL H . 17432 1 204 . 1 1 46 46 VAL HA H 1 4.67 0.02 . 1 . . . A 46 VAL HA . 17432 1 205 . 1 1 46 46 VAL CA C 13 61.414 0.2 . 1 . . . A 46 VAL CA . 17432 1 206 . 1 1 46 46 VAL CB C 13 33.375 0.2 . 1 . . . A 46 VAL CB . 17432 1 207 . 1 1 46 46 VAL N N 15 121.21 0.1 . 1 . . . A 46 VAL N . 17432 1 208 . 1 1 47 47 PHE H H 1 8.48 0.02 . 1 . . . A 47 PHE H . 17432 1 209 . 1 1 47 47 PHE HA H 1 4.91 0.02 . 1 . . . A 47 PHE HA . 17432 1 210 . 1 1 47 47 PHE CA C 13 54.948 0.2 . 1 . . . A 47 PHE CA . 17432 1 211 . 1 1 47 47 PHE CB C 13 44.086 0.2 . 1 . . . A 47 PHE CB . 17432 1 212 . 1 1 47 47 PHE N N 15 123.15 0.1 . 1 . . . A 47 PHE N . 17432 1 213 . 1 1 48 48 GLY H H 1 9.92 0.02 . 1 . . . A 48 GLY H . 17432 1 214 . 1 1 48 48 GLY HA2 H 1 5.12 0.02 . 2 . . . A 48 GLY HA2 . 17432 1 215 . 1 1 48 48 GLY HA3 H 1 3.41 0.02 . 2 . . . A 48 GLY HA3 . 17432 1 216 . 1 1 48 48 GLY CA C 13 45.888 0.2 . 1 . . . A 48 GLY CA . 17432 1 217 . 1 1 48 48 GLY N N 15 110.503 0.1 . 1 . . . A 48 GLY N . 17432 1 218 . 1 1 49 49 MET H H 1 9.46 0.02 . 1 . . . A 49 MET H . 17432 1 219 . 1 1 49 49 MET HA H 1 3.91 0.02 . 1 . . . A 49 MET HA . 17432 1 220 . 1 1 49 49 MET CA C 13 53.6 0.2 . 1 . . . A 49 MET CA . 17432 1 221 . 1 1 49 49 MET CB C 13 36.4 0.2 . 1 . . . A 49 MET CB . 17432 1 222 . 1 1 49 49 MET N N 15 125.4 0.1 . 1 . . . A 49 MET N . 17432 1 223 . 1 1 50 50 GLY H H 1 9.77 0.02 . 1 . . . A 50 GLY H . 17432 1 224 . 1 1 50 50 GLY HA2 H 1 4.41 0.02 . 2 . . . A 50 GLY HA2 . 17432 1 225 . 1 1 50 50 GLY HA3 H 1 3.78 0.02 . 2 . . . A 50 GLY HA3 . 17432 1 226 . 1 1 50 50 GLY CA C 13 43.548 0.2 . 1 . . . A 50 GLY CA . 17432 1 227 . 1 1 50 50 GLY N N 15 111.3 0.1 . 1 . . . A 50 GLY N . 17432 1 228 . 1 1 51 51 CYS H H 1 8.91 0.02 . 1 . . . A 51 CYS H . 17432 1 229 . 1 1 51 51 CYS HA H 1 4.38 0.02 . 1 . . . A 51 CYS HA . 17432 1 230 . 1 1 51 51 CYS CA C 13 59.243 0.2 . 1 . . . A 51 CYS CA . 17432 1 231 . 1 1 51 51 CYS CB C 13 26.60 0.2 . 1 . . . A 51 CYS CB . 17432 1 232 . 1 1 51 51 CYS N N 15 124.54 0.1 . 1 . . . A 51 CYS N . 17432 1 233 . 1 1 52 52 PHE H H 1 8.54 0.02 . 1 . . . A 52 PHE H . 17432 1 234 . 1 1 52 52 PHE HA H 1 4.6 0.02 . 1 . . . A 52 PHE HA . 17432 1 235 . 1 1 52 52 PHE CA C 13 57.1 0.2 . 1 . . . A 52 PHE CA . 17432 1 236 . 1 1 52 52 PHE CB C 13 39.3 0.2 . 1 . . . A 52 PHE CB . 17432 1 237 . 1 1 52 52 PHE N N 15 126.6 0.1 . 1 . . . A 52 PHE N . 17432 1 238 . 1 1 53 53 TRP H H 1 8.11 0.02 . 1 . . . A 53 TRP H . 17432 1 239 . 1 1 53 53 TRP HA H 1 5.66 0.02 . 1 . . . A 53 TRP HA . 17432 1 240 . 1 1 53 53 TRP CA C 13 57.218 0.2 . 1 . . . A 53 TRP CA . 17432 1 241 . 1 1 53 53 TRP CB C 13 29.37 0.2 . 1 . . . A 53 TRP CB . 17432 1 242 . 1 1 53 53 TRP N N 15 123.42 0.1 . 1 . . . A 53 TRP N . 17432 1 243 . 1 1 54 54 GLY H H 1 8.19 0.02 . 1 . . . A 54 GLY H . 17432 1 244 . 1 1 54 54 GLY HA2 H 1 4.05 0.02 . 2 . . . A 54 GLY HA2 . 17432 1 245 . 1 1 54 54 GLY HA3 H 1 3.78 0.02 . 2 . . . A 54 GLY HA3 . 17432 1 246 . 1 1 54 54 GLY CA C 13 46.58 0.2 . 1 . . . A 54 GLY CA . 17432 1 247 . 1 1 54 54 GLY N N 15 105.146 0.1 . 1 . . . A 54 GLY N . 17432 1 248 . 1 1 55 55 ALA H H 1 6.89 0.02 . 1 . . . A 55 ALA H . 17432 1 249 . 1 1 55 55 ALA HA H 1 3.91 0.02 . 1 . . . A 55 ALA HA . 17432 1 250 . 1 1 55 55 ALA CA C 13 54.896 0.2 . 1 . . . A 55 ALA CA . 17432 1 251 . 1 1 55 55 ALA CB C 13 20.71 0.2 . 1 . . . A 55 ALA CB . 17432 1 252 . 1 1 55 55 ALA N N 15 121.94 0.1 . 1 . . . A 55 ALA N . 17432 1 253 . 1 1 56 56 GLU H H 1 8.41 0.02 . 1 . . . A 56 GLU H . 17432 1 254 . 1 1 56 56 GLU HA H 1 3.88 0.02 . 1 . . . A 56 GLU HA . 17432 1 255 . 1 1 56 56 GLU CA C 13 60.674 0.2 . 1 . . . A 56 GLU CA . 17432 1 256 . 1 1 56 56 GLU CB C 13 32.917 0.2 . 1 . . . A 56 GLU CB . 17432 1 257 . 1 1 56 56 GLU N N 15 118.14 0.1 . 1 . . . A 56 GLU N . 17432 1 258 . 1 1 57 57 ARG H H 1 6.35 0.02 . 1 . . . A 57 ARG H . 17432 1 259 . 1 1 57 57 ARG HA H 1 4.75 0.02 . 1 . . . A 57 ARG HA . 17432 1 260 . 1 1 57 57 ARG CA C 13 56.539 0.2 . 1 . . . A 57 ARG CA . 17432 1 261 . 1 1 57 57 ARG CB C 13 31.188 0.2 . 1 . . . A 57 ARG CB . 17432 1 262 . 1 1 57 57 ARG N N 15 115.46 0.1 . 1 . . . A 57 ARG N . 17432 1 263 . 1 1 58 58 LYS H H 1 6.88 0.02 . 1 . . . A 58 LYS H . 17432 1 264 . 1 1 58 58 LYS HA H 1 3.57 0.02 . 1 . . . A 58 LYS HA . 17432 1 265 . 1 1 58 58 LYS CA C 13 56.14 0.2 . 1 . . . A 58 LYS CA . 17432 1 266 . 1 1 58 58 LYS CB C 13 30.842 0.2 . 1 . . . A 58 LYS CB . 17432 1 267 . 1 1 58 58 LYS N N 15 114.07 0.1 . 1 . . . A 58 LYS N . 17432 1 268 . 1 1 59 59 PHE H H 1 7.04 0.02 . 1 . . . A 59 PHE H . 17432 1 269 . 1 1 59 59 PHE HA H 1 4.6 0.02 . 1 . . . A 59 PHE HA . 17432 1 270 . 1 1 59 59 PHE CA C 13 59.509 0.2 . 1 . . . A 59 PHE CA . 17432 1 271 . 1 1 59 59 PHE CB C 13 42.287 0.2 . 1 . . . A 59 PHE CB . 17432 1 272 . 1 1 59 59 PHE N N 15 109.18 0.1 . 1 . . . A 59 PHE N . 17432 1 273 . 1 1 60 60 TRP H H 1 7.94 0.02 . 1 . . . A 60 TRP H . 17432 1 274 . 1 1 60 60 TRP HA H 1 4.57 0.02 . 1 . . . A 60 TRP HA . 17432 1 275 . 1 1 60 60 TRP CA C 13 60.4 0.2 . 1 . . . A 60 TRP CA . 17432 1 276 . 1 1 60 60 TRP CB C 13 25.15 0.2 . 1 . . . A 60 TRP CB . 17432 1 277 . 1 1 60 60 TRP N N 15 115.3 0.1 . 1 . . . A 60 TRP N . 17432 1 278 . 1 1 61 61 VAL H H 1 6.5 0.02 . 1 . . . A 61 VAL H . 17432 1 279 . 1 1 61 61 VAL HA H 1 4.42 0.02 . 1 . . . A 61 VAL HA . 17432 1 280 . 1 1 61 61 VAL CA C 13 61.228 0.2 . 1 . . . A 61 VAL CA . 17432 1 281 . 1 1 61 61 VAL CB C 13 31.871 0.2 . 1 . . . A 61 VAL CB . 17432 1 282 . 1 1 61 61 VAL N N 15 110.81 0.1 . 1 . . . A 61 VAL N . 17432 1 283 . 1 1 62 62 LEU H H 1 7.18 0.02 . 1 . . . A 62 LEU H . 17432 1 284 . 1 1 62 62 LEU HA H 1 4.21 0.02 . 1 . . . A 62 LEU HA . 17432 1 285 . 1 1 62 62 LEU CA C 13 54.541 0.2 . 1 . . . A 62 LEU CA . 17432 1 286 . 1 1 62 62 LEU CB C 13 41.866 0.2 . 1 . . . A 62 LEU CB . 17432 1 287 . 1 1 62 62 LEU N N 15 122.07 0.1 . 1 . . . A 62 LEU N . 17432 1 288 . 1 1 63 63 LYS H H 1 8.62 0.02 . 1 . . . A 63 LYS H . 17432 1 289 . 1 1 63 63 LYS HA H 1 4.07 0.02 . 1 . . . A 63 LYS HA . 17432 1 290 . 1 1 63 63 LYS CA C 13 57.563 0.2 . 1 . . . A 63 LYS CA . 17432 1 291 . 1 1 63 63 LYS CB C 13 31.376 0.2 . 1 . . . A 63 LYS CB . 17432 1 292 . 1 1 63 63 LYS N N 15 125.89 0.1 . 1 . . . A 63 LYS N . 17432 1 293 . 1 1 64 64 GLY H H 1 8.62 0.02 . 1 . . . A 64 GLY H . 17432 1 294 . 1 1 64 64 GLY HA2 H 1 4.38 0.02 . 2 . . . A 64 GLY HA2 . 17432 1 295 . 1 1 64 64 GLY HA3 H 1 3.7 0.02 . 2 . . . A 64 GLY HA3 . 17432 1 296 . 1 1 64 64 GLY CA C 13 46.083 0.2 . 1 . . . A 64 GLY CA . 17432 1 297 . 1 1 64 64 GLY N N 15 111.17 0.1 . 1 . . . A 64 GLY N . 17432 1 298 . 1 1 65 65 VAL H H 1 7.55 0.02 . 1 . . . A 65 VAL H . 17432 1 299 . 1 1 65 65 VAL HA H 1 3.93 0.02 . 1 . . . A 65 VAL HA . 17432 1 300 . 1 1 65 65 VAL CA C 13 64.146 0.2 . 1 . . . A 65 VAL CA . 17432 1 301 . 1 1 65 65 VAL CB C 13 31.521 0.2 . 1 . . . A 65 VAL CB . 17432 1 302 . 1 1 65 65 VAL N N 15 120.89 0.1 . 1 . . . A 65 VAL N . 17432 1 303 . 1 1 66 66 TYR H H 1 9.53 0.02 . 1 . . . A 66 TYR H . 17432 1 304 . 1 1 66 66 TYR HA H 1 4.34 0.02 . 1 . . . A 66 TYR HA . 17432 1 305 . 1 1 66 66 TYR CA C 13 59.9 0.2 . 1 . . . A 66 TYR CA . 17432 1 306 . 1 1 66 66 TYR CB C 13 39.5 0.2 . 1 . . . A 66 TYR CB . 17432 1 307 . 1 1 66 66 TYR N N 15 131.3 0.1 . 1 . . . A 66 TYR N . 17432 1 308 . 1 1 67 67 SER H H 1 8.21 0.02 . 1 . . . A 67 SER H . 17432 1 309 . 1 1 67 67 SER HA H 1 4.39 0.02 . 1 . . . A 67 SER HA . 17432 1 310 . 1 1 67 67 SER CA C 13 56.685 0.2 . 1 . . . A 67 SER CA . 17432 1 311 . 1 1 67 67 SER CB C 13 64.808 0.2 . 1 . . . A 67 SER CB . 17432 1 312 . 1 1 67 67 SER N N 15 110.48 0.1 . 1 . . . A 67 SER N . 17432 1 313 . 1 1 68 68 THR H H 1 7 0.02 . 1 . . . A 68 THR H . 17432 1 314 . 1 1 68 68 THR HA H 1 5.6 0.02 . 1 . . . A 68 THR HA . 17432 1 315 . 1 1 68 68 THR CA C 13 59.839 0.2 . 1 . . . A 68 THR CA . 17432 1 316 . 1 1 68 68 THR CB C 13 71.551 0.2 . 1 . . . A 68 THR CB . 17432 1 317 . 1 1 68 68 THR N N 15 111.27 0.1 . 1 . . . A 68 THR N . 17432 1 318 . 1 1 69 69 GLN H H 1 8.83 0.02 . 1 . . . A 69 GLN H . 17432 1 319 . 1 1 69 69 GLN HA H 1 4.97 0.02 . 1 . . . A 69 GLN HA . 17432 1 320 . 1 1 69 69 GLN CA C 13 55.328 0.2 . 1 . . . A 69 GLN CA . 17432 1 321 . 1 1 69 69 GLN CB C 13 33.823 0.2 . 1 . . . A 69 GLN CB . 17432 1 322 . 1 1 69 69 GLN N N 15 115.27 0.1 . 1 . . . A 69 GLN N . 17432 1 323 . 1 1 70 70 VAL H H 1 9.36 0.02 . 1 . . . A 70 VAL H . 17432 1 324 . 1 1 70 70 VAL HA H 1 5.58 0.02 . 1 . . . A 70 VAL HA . 17432 1 325 . 1 1 70 70 VAL CA C 13 58.585 0.2 . 1 . . . A 70 VAL CA . 17432 1 326 . 1 1 70 70 VAL CB C 13 34.65 0.2 . 1 . . . A 70 VAL CB . 17432 1 327 . 1 1 70 70 VAL N N 15 111.08 0.1 . 1 . . . A 70 VAL N . 17432 1 328 . 1 1 71 71 GLY H H 1 8.77 0.02 . 1 . . . A 71 GLY H . 17432 1 329 . 1 1 71 71 GLY HA2 H 1 3.79 0.02 . 2 . . . A 71 GLY HA2 . 17432 1 330 . 1 1 71 71 GLY HA3 H 1 2.91 0.02 . 2 . . . A 71 GLY HA3 . 17432 1 331 . 1 1 71 71 GLY CA C 13 46.618 0.2 . 1 . . . A 71 GLY CA . 17432 1 332 . 1 1 71 71 GLY N N 15 111.44 0.1 . 1 . . . A 71 GLY N . 17432 1 333 . 1 1 72 72 PHE H H 1 9.09 0.02 . 1 . . . A 72 PHE H . 17432 1 334 . 1 1 72 72 PHE HA H 1 5.99 0.02 . 1 . . . A 72 PHE HA . 17432 1 335 . 1 1 72 72 PHE CA C 13 53.168 0.2 . 1 . . . A 72 PHE CA . 17432 1 336 . 1 1 72 72 PHE CB C 13 42.3 0.2 . 1 . . . A 72 PHE CB . 17432 1 337 . 1 1 72 72 PHE N N 15 123.337 0.1 . 1 . . . A 72 PHE N . 17432 1 338 . 1 1 73 73 ALA H H 1 8.85 0.02 . 1 . . . A 73 ALA H . 17432 1 339 . 1 1 73 73 ALA HA H 1 4.97 0.02 . 1 . . . A 73 ALA HA . 17432 1 340 . 1 1 73 73 ALA CA C 13 52.28 0.2 . 1 . . . A 73 ALA CA . 17432 1 341 . 1 1 73 73 ALA CB C 13 23.796 0.2 . 1 . . . A 73 ALA CB . 17432 1 342 . 1 1 73 73 ALA N N 15 121.62 0.1 . 1 . . . A 73 ALA N . 17432 1 343 . 1 1 74 74 GLY H H 1 9.35 0.02 . 1 . . . A 74 GLY H . 17432 1 344 . 1 1 74 74 GLY HA2 H 1 4.4 0.02 . 2 . . . A 74 GLY HA2 . 17432 1 345 . 1 1 74 74 GLY HA3 H 1 3.56 0.02 . 2 . . . A 74 GLY HA3 . 17432 1 346 . 1 1 74 74 GLY CA C 13 44.084 0.2 . 1 . . . A 74 GLY CA . 17432 1 347 . 1 1 74 74 GLY N N 15 106.22 0.1 . 1 . . . A 74 GLY N . 17432 1 348 . 1 1 75 75 GLY H H 1 9 0.02 . 1 . . . A 75 GLY H . 17432 1 349 . 1 1 75 75 GLY HA2 H 1 3.59 0.02 . 2 . . . A 75 GLY HA2 . 17432 1 350 . 1 1 75 75 GLY HA3 H 1 1.92 0.02 . 2 . . . A 75 GLY HA3 . 17432 1 351 . 1 1 75 75 GLY CA C 13 41.08 0.2 . 1 . . . A 75 GLY CA . 17432 1 352 . 1 1 75 75 GLY N N 15 112.82 0.1 . 1 . . . A 75 GLY N . 17432 1 353 . 1 1 76 76 HIS H H 1 7.68 0.02 . 1 . . . A 76 HIS H . 17432 1 354 . 1 1 76 76 HIS HA H 1 4.62 0.02 . 1 . . . A 76 HIS HA . 17432 1 355 . 1 1 76 76 HIS CA C 13 56.545 0.2 . 1 . . . A 76 HIS CA . 17432 1 356 . 1 1 76 76 HIS CB C 13 33.799 0.2 . 1 . . . A 76 HIS CB . 17432 1 357 . 1 1 76 76 HIS N N 15 118.09 0.1 . 1 . . . A 76 HIS N . 17432 1 358 . 1 1 77 77 THR H H 1 6.54 0.02 . 1 . . . A 77 THR H . 17432 1 359 . 1 1 77 77 THR HA H 1 3.75 0.02 . 1 . . . A 77 THR HA . 17432 1 360 . 1 1 77 77 THR CA C 13 64.128 0.2 . 1 . . . A 77 THR CA . 17432 1 361 . 1 1 77 77 THR CB C 13 71.778 0.2 . 1 . . . A 77 THR CB . 17432 1 362 . 1 1 77 77 THR N N 15 114.25 0.1 . 1 . . . A 77 THR N . 17432 1 363 . 1 1 78 78 ARG H H 1 8.44 0.02 . 1 . . . A 78 ARG H . 17432 1 364 . 1 1 78 78 ARG HA H 1 3.75 0.02 . 1 . . . A 78 ARG HA . 17432 1 365 . 1 1 78 78 ARG CA C 13 56.835 0.2 . 1 . . . A 78 ARG CA . 17432 1 366 . 1 1 78 78 ARG CB C 13 30.776 0.2 . 1 . . . A 78 ARG CB . 17432 1 367 . 1 1 78 78 ARG N N 15 129.36 0.1 . 1 . . . A 78 ARG N . 17432 1 368 . 1 1 80 80 PRO HA H 1 4.38 0.02 . 1 . . . A 80 PRO HA . 17432 1 369 . 1 1 80 80 PRO CA C 13 61.96 0.2 . 1 . . . A 80 PRO CA . 17432 1 370 . 1 1 80 80 PRO CB C 13 33 0.2 . 1 . . . A 80 PRO CB . 17432 1 371 . 1 1 81 81 THR H H 1 8.31 0.02 . 1 . . . A 81 THR H . 17432 1 372 . 1 1 81 81 THR HA H 1 4.69 0.02 . 1 . . . A 81 THR HA . 17432 1 373 . 1 1 81 81 THR CA C 13 58.746 0.2 . 1 . . . A 81 THR CA . 17432 1 374 . 1 1 81 81 THR CB C 13 71.193 0.2 . 1 . . . A 81 THR CB . 17432 1 375 . 1 1 81 81 THR N N 15 107.377 0.1 . 1 . . . A 81 THR N . 17432 1 376 . 1 1 82 82 TYR H H 1 11.05 0.02 . 1 . . . A 82 TYR H . 17432 1 377 . 1 1 82 82 TYR HA H 1 4.09 0.02 . 1 . . . A 82 TYR HA . 17432 1 378 . 1 1 82 82 TYR CA C 13 62.9 0.2 . 1 . . . A 82 TYR CA . 17432 1 379 . 1 1 82 82 TYR CB C 13 38 0.2 . 1 . . . A 82 TYR CB . 17432 1 380 . 1 1 82 82 TYR N N 15 124.4 0.1 . 1 . . . A 82 TYR N . 17432 1 381 . 1 1 83 83 LYS H H 1 8.65 0.02 . 1 . . . A 83 LYS H . 17432 1 382 . 1 1 83 83 LYS HA H 1 3.76 0.02 . 1 . . . A 83 LYS HA . 17432 1 383 . 1 1 83 83 LYS CA C 13 59.711 0.2 . 1 . . . A 83 LYS CA . 17432 1 384 . 1 1 83 83 LYS CB C 13 32.431 0.2 . 1 . . . A 83 LYS CB . 17432 1 385 . 1 1 83 83 LYS N N 15 118.6 0.1 . 1 . . . A 83 LYS N . 17432 1 386 . 1 1 84 84 GLU H H 1 7.51 0.02 . 1 . . . A 84 GLU H . 17432 1 387 . 1 1 84 84 GLU HA H 1 3.72 0.02 . 1 . . . A 84 GLU HA . 17432 1 388 . 1 1 84 84 GLU CA C 13 58.923 0.2 . 1 . . . A 84 GLU CA . 17432 1 389 . 1 1 84 84 GLU CB C 13 29.229 0.2 . 1 . . . A 84 GLU CB . 17432 1 390 . 1 1 84 84 GLU N N 15 117.62 0.1 . 1 . . . A 84 GLU N . 17432 1 391 . 1 1 85 85 VAL H H 1 8.46 0.02 . 1 . . . A 85 VAL H . 17432 1 392 . 1 1 85 85 VAL HA H 1 3.3 0.02 . 1 . . . A 85 VAL HA . 17432 1 393 . 1 1 85 85 VAL CA C 13 66.4 0.2 . 1 . . . A 85 VAL CA . 17432 1 394 . 1 1 85 85 VAL CB C 13 29.2 0.2 . 1 . . . A 85 VAL CB . 17432 1 395 . 1 1 85 85 VAL N N 15 124.2 0.1 . 1 . . . A 85 VAL N . 17432 1 396 . 1 1 86 86 CYS H H 1 8.29 0.02 . 1 . . . A 86 CYS H . 17432 1 397 . 1 1 86 86 CYS HA H 1 4.3 0.02 . 1 . . . A 86 CYS HA . 17432 1 398 . 1 1 86 86 CYS CA C 13 61.857 0.2 . 1 . . . A 86 CYS CA . 17432 1 399 . 1 1 86 86 CYS CB C 13 26.723 0.2 . 1 . . . A 86 CYS CB . 17432 1 400 . 1 1 86 86 CYS N N 15 117.68 0.1 . 1 . . . A 86 CYS N . 17432 1 401 . 1 1 87 87 SER H H 1 7.23 0.02 . 1 . . . A 87 SER H . 17432 1 402 . 1 1 87 87 SER HA H 1 4.3 0.02 . 1 . . . A 87 SER HA . 17432 1 403 . 1 1 87 87 SER CA C 13 60.188 0.2 . 1 . . . A 87 SER CA . 17432 1 404 . 1 1 87 87 SER CB C 13 65.342 0.2 . 1 . . . A 87 SER CB . 17432 1 405 . 1 1 87 87 SER N N 15 114.085 0.1 . 1 . . . A 87 SER N . 17432 1 406 . 1 1 88 88 GLU H H 1 7.68 0.02 . 1 . . . A 88 GLU H . 17432 1 407 . 1 1 88 88 GLU HA H 1 4.05 0.02 . 1 . . . A 88 GLU HA . 17432 1 408 . 1 1 88 88 GLU CA C 13 61.226 0.2 . 1 . . . A 88 GLU CA . 17432 1 409 . 1 1 88 88 GLU N N 15 111.038 0.1 . 1 . . . A 88 GLU N . 17432 1 410 . 1 1 89 89 LYS H H 1 7.8 0.02 . 1 . . . A 89 LYS H . 17432 1 411 . 1 1 89 89 LYS HA H 1 4.42 0.02 . 1 . . . A 89 LYS HA . 17432 1 412 . 1 1 89 89 LYS CA C 13 56.715 0.2 . 1 . . . A 89 LYS CA . 17432 1 413 . 1 1 89 89 LYS CB C 13 31.247 0.2 . 1 . . . A 89 LYS CB . 17432 1 414 . 1 1 89 89 LYS N N 15 116.13 0.1 . 1 . . . A 89 LYS N . 17432 1 415 . 1 1 90 90 THR H H 1 8.17 0.02 . 1 . . . A 90 THR H . 17432 1 416 . 1 1 90 90 THR HA H 1 5.29 0.02 . 1 . . . A 90 THR HA . 17432 1 417 . 1 1 90 90 THR CA C 13 61.612 0.2 . 1 . . . A 90 THR CA . 17432 1 418 . 1 1 90 90 THR CB C 13 71.705 0.2 . 1 . . . A 90 THR CB . 17432 1 419 . 1 1 90 90 THR N N 15 105.28 0.1 . 1 . . . A 90 THR N . 17432 1 420 . 1 1 91 91 GLY H H 1 6.63 0.02 . 1 . . . A 91 GLY H . 17432 1 421 . 1 1 91 91 GLY HA2 H 1 3.69 0.02 . 2 . . . A 91 GLY HA2 . 17432 1 422 . 1 1 91 91 GLY HA3 H 1 3.69 0.02 . 2 . . . A 91 GLY HA3 . 17432 1 423 . 1 1 91 91 GLY CA C 13 46.307 0.2 . 1 . . . A 91 GLY CA . 17432 1 424 . 1 1 91 91 GLY N N 15 108.88 0.1 . 1 . . . A 91 GLY N . 17432 1 425 . 1 1 92 92 HIS H H 1 7.95 0.02 . 1 . . . A 92 HIS H . 17432 1 426 . 1 1 92 92 HIS HA H 1 4.03 0.02 . 1 . . . A 92 HIS HA . 17432 1 427 . 1 1 92 92 HIS CA C 13 57.233 0.2 . 1 . . . A 92 HIS CA . 17432 1 428 . 1 1 92 92 HIS CB C 13 33.551 0.2 . 1 . . . A 92 HIS CB . 17432 1 429 . 1 1 92 92 HIS N N 15 121.88 0.1 . 1 . . . A 92 HIS N . 17432 1 430 . 1 1 93 93 ALA H H 1 9.57 0.02 . 1 . . . A 93 ALA H . 17432 1 431 . 1 1 93 93 ALA HA H 1 4.7 0.02 . 1 . . . A 93 ALA HA . 17432 1 432 . 1 1 93 93 ALA CA C 13 50.292 0.2 . 1 . . . A 93 ALA CA . 17432 1 433 . 1 1 93 93 ALA CB C 13 20.019 0.2 . 1 . . . A 93 ALA CB . 17432 1 434 . 1 1 93 93 ALA N N 15 122.02 0.1 . 1 . . . A 93 ALA N . 17432 1 435 . 1 1 94 94 GLU H H 1 9.27 0.02 . 1 . . . A 94 GLU H . 17432 1 436 . 1 1 94 94 GLU HA H 1 4.64 0.02 . 1 . . . A 94 GLU HA . 17432 1 437 . 1 1 94 94 GLU CA C 13 57.5 0.2 . 1 . . . A 94 GLU CA . 17432 1 438 . 1 1 94 94 GLU CB C 13 27.8 0.2 . 1 . . . A 94 GLU CB . 17432 1 439 . 1 1 94 94 GLU N N 15 120.4 0.1 . 1 . . . A 94 GLU N . 17432 1 440 . 1 1 95 95 VAL H H 1 9.59 0.02 . 1 . . . A 95 VAL H . 17432 1 441 . 1 1 95 95 VAL HA H 1 5.58 0.02 . 1 . . . A 95 VAL HA . 17432 1 442 . 1 1 95 95 VAL CA C 13 58.76 0.2 . 1 . . . A 95 VAL CA . 17432 1 443 . 1 1 95 95 VAL CB C 13 36.746 0.2 . 1 . . . A 95 VAL CB . 17432 1 444 . 1 1 95 95 VAL N N 15 118.52 0.1 . 1 . . . A 95 VAL N . 17432 1 445 . 1 1 96 96 VAL H H 1 9.41 0.02 . 1 . . . A 96 VAL H . 17432 1 446 . 1 1 96 96 VAL HA H 1 4.95 0.02 . 1 . . . A 96 VAL HA . 17432 1 447 . 1 1 96 96 VAL CA C 13 58.899 0.2 . 1 . . . A 96 VAL CA . 17432 1 448 . 1 1 96 96 VAL CB C 13 35.22 0.2 . 1 . . . A 96 VAL CB . 17432 1 449 . 1 1 96 96 VAL N N 15 118.86 0.1 . 1 . . . A 96 VAL N . 17432 1 450 . 1 1 97 97 ARG H H 1 9.23 0.02 . 1 . . . A 97 ARG H . 17432 1 451 . 1 1 97 97 ARG HA H 1 4.98 0.02 . 1 . . . A 97 ARG HA . 17432 1 452 . 1 1 97 97 ARG CA C 13 54.1 0.2 . 1 . . . A 97 ARG CA . 17432 1 453 . 1 1 97 97 ARG CB C 13 33.2 0.2 . 1 . . . A 97 ARG CB . 17432 1 454 . 1 1 97 97 ARG N N 15 125.9 0.1 . 1 . . . A 97 ARG N . 17432 1 455 . 1 1 98 98 VAL H H 1 9.23 0.02 . 1 . . . A 98 VAL H . 17432 1 456 . 1 1 98 98 VAL HA H 1 4.13 0.02 . 1 . . . A 98 VAL HA . 17432 1 457 . 1 1 98 98 VAL CA C 13 60.993 0.2 . 1 . . . A 98 VAL CA . 17432 1 458 . 1 1 98 98 VAL CB C 13 33.219 0.2 . 1 . . . A 98 VAL CB . 17432 1 459 . 1 1 98 98 VAL N N 15 125.89 0.1 . 1 . . . A 98 VAL N . 17432 1 460 . 1 1 99 99 VAL H H 1 8.92 0.02 . 1 . . . A 99 VAL H . 17432 1 461 . 1 1 99 99 VAL HA H 1 4.82 0.02 . 1 . . . A 99 VAL HA . 17432 1 462 . 1 1 99 99 VAL CA C 13 60.974 0.2 . 1 . . . A 99 VAL CA . 17432 1 463 . 1 1 99 99 VAL CB C 13 31.261 0.2 . 1 . . . A 99 VAL CB . 17432 1 464 . 1 1 99 99 VAL N N 15 128.01 0.1 . 1 . . . A 99 VAL N . 17432 1 465 . 1 1 100 100 TYR H H 1 9.36 0.02 . 1 . . . A 100 TYR H . 17432 1 466 . 1 1 100 100 TYR HA H 1 5.5 0.02 . 1 . . . A 100 TYR HA . 17432 1 467 . 1 1 100 100 TYR CA C 13 54.942 0.2 . 1 . . . A 100 TYR CA . 17432 1 468 . 1 1 100 100 TYR CB C 13 42.021 0.2 . 1 . . . A 100 TYR CB . 17432 1 469 . 1 1 100 100 TYR N N 15 125.68 0.1 . 1 . . . A 100 TYR N . 17432 1 470 . 1 1 101 101 ARG H H 1 8.53 0.02 . 1 . . . A 101 ARG H . 17432 1 471 . 1 1 101 101 ARG HA H 1 4.88 0.02 . 1 . . . A 101 ARG HA . 17432 1 472 . 1 1 101 101 ARG CA C 13 53.169 0.2 . 1 . . . A 101 ARG CA . 17432 1 473 . 1 1 101 101 ARG CB C 13 30.274 0.2 . 1 . . . A 101 ARG CB . 17432 1 474 . 1 1 101 101 ARG N N 15 120.4 0.1 . 1 . . . A 101 ARG N . 17432 1 475 . 1 1 102 102 PRO HA H 1 5.31 0.02 . 1 . . . A 102 PRO HA . 17432 1 476 . 1 1 102 102 PRO CA C 13 63.5 0.1 . 1 . . . A 102 PRO CA . 17432 1 477 . 1 1 102 102 PRO CB C 13 31.9 0.1 . 1 . . . A 102 PRO CB . 17432 1 478 . 1 1 103 103 GLU H H 1 9.89 0.02 . 1 . . . A 103 GLU H . 17432 1 479 . 1 1 103 103 GLU HA H 1 4.19 0.02 . 1 . . . A 103 GLU HA . 17432 1 480 . 1 1 103 103 GLU CA C 13 57.667 0.2 . 1 . . . A 103 GLU CA . 17432 1 481 . 1 1 103 103 GLU CB C 13 27.693 0.2 . 1 . . . A 103 GLU CB . 17432 1 482 . 1 1 103 103 GLU N N 15 118.6 0.1 . 1 . . . A 103 GLU N . 17432 1 483 . 1 1 104 104 HIS H H 1 8.18 0.02 . 1 . . . A 104 HIS H . 17432 1 484 . 1 1 104 104 HIS HA H 1 4.9 0.02 . 1 . . . A 104 HIS HA . 17432 1 485 . 1 1 104 104 HIS CA C 13 55.912 0.2 . 1 . . . A 104 HIS CA . 17432 1 486 . 1 1 104 104 HIS CB C 13 35.44 0.2 . 1 . . . A 104 HIS CB . 17432 1 487 . 1 1 104 104 HIS N N 15 119.37 0.1 . 1 . . . A 104 HIS N . 17432 1 488 . 1 1 105 105 ILE H H 1 8.45 0.02 . 1 . . . A 105 ILE H . 17432 1 489 . 1 1 105 105 ILE HA H 1 4.42 0.02 . 1 . . . A 105 ILE HA . 17432 1 490 . 1 1 105 105 ILE CA C 13 60.979 0.2 . 1 . . . A 105 ILE CA . 17432 1 491 . 1 1 105 105 ILE CB C 13 39.928 0.2 . 1 . . . A 105 ILE CB . 17432 1 492 . 1 1 105 105 ILE N N 15 121.42 0.1 . 1 . . . A 105 ILE N . 17432 1 493 . 1 1 106 106 SER H H 1 8.31 0.02 . 1 . . . A 106 SER H . 17432 1 494 . 1 1 106 106 SER HA H 1 4.94 0.02 . 1 . . . A 106 SER HA . 17432 1 495 . 1 1 106 106 SER CA C 13 56.095 0.2 . 1 . . . A 106 SER CA . 17432 1 496 . 1 1 106 106 SER CB C 13 67.307 0.2 . 1 . . . A 106 SER CB . 17432 1 497 . 1 1 106 106 SER N N 15 118.64 0.1 . 1 . . . A 106 SER N . 17432 1 498 . 1 1 107 107 PHE H H 1 9.23 0.02 . 1 . . . A 107 PHE H . 17432 1 499 . 1 1 107 107 PHE HA H 1 3.99 0.02 . 1 . . . A 107 PHE HA . 17432 1 500 . 1 1 107 107 PHE CA C 13 61.4 0.2 . 1 . . . A 107 PHE CA . 17432 1 501 . 1 1 107 107 PHE CB C 13 38.755 0.2 . 1 . . . A 107 PHE CB . 17432 1 502 . 1 1 107 107 PHE N N 15 121.08 0.1 . 1 . . . A 107 PHE N . 17432 1 503 . 1 1 108 108 GLU H H 1 9.25 0.02 . 1 . . . A 108 GLU H . 17432 1 504 . 1 1 108 108 GLU HA H 1 3.73 0.02 . 1 . . . A 108 GLU HA . 17432 1 505 . 1 1 108 108 GLU CA C 13 61.763 0.2 . 1 . . . A 108 GLU CA . 17432 1 506 . 1 1 108 108 GLU CB C 13 28.506 0.2 . 1 . . . A 108 GLU CB . 17432 1 507 . 1 1 108 108 GLU N N 15 117.05 0.1 . 1 . . . A 108 GLU N . 17432 1 508 . 1 1 109 109 GLU H H 1 7.85 0.02 . 1 . . . A 109 GLU H . 17432 1 509 . 1 1 109 109 GLU HA H 1 3.85 0.02 . 1 . . . A 109 GLU HA . 17432 1 510 . 1 1 109 109 GLU CA C 13 59.261 0.2 . 1 . . . A 109 GLU CA . 17432 1 511 . 1 1 109 109 GLU CB C 13 29.805 0.2 . 1 . . . A 109 GLU CB . 17432 1 512 . 1 1 109 109 GLU N N 15 120.22 0.1 . 1 . . . A 109 GLU N . 17432 1 513 . 1 1 110 110 LEU H H 1 7.61 0.02 . 1 . . . A 110 LEU H . 17432 1 514 . 1 1 110 110 LEU HA H 1 3.85 0.02 . 1 . . . A 110 LEU HA . 17432 1 515 . 1 1 110 110 LEU CA C 13 57.867 0.2 . 1 . . . A 110 LEU CA . 17432 1 516 . 1 1 110 110 LEU CB C 13 41.153 0.2 . 1 . . . A 110 LEU CB . 17432 1 517 . 1 1 110 110 LEU N N 15 120.44 0.1 . 1 . . . A 110 LEU N . 17432 1 518 . 1 1 111 111 LEU H H 1 8.42 0.02 . 1 . . . A 111 LEU H . 17432 1 519 . 1 1 111 111 LEU HA H 1 3.46 0.02 . 1 . . . A 111 LEU HA . 17432 1 520 . 1 1 111 111 LEU CA C 13 56.778 0.2 . 1 . . . A 111 LEU CA . 17432 1 521 . 1 1 111 111 LEU CB C 13 41.401 0.2 . 1 . . . A 111 LEU CB . 17432 1 522 . 1 1 111 111 LEU N N 15 118.69 0.1 . 1 . . . A 111 LEU N . 17432 1 523 . 1 1 112 112 LYS H H 1 7.41 0.02 . 1 . . . A 112 LYS H . 17432 1 524 . 1 1 112 112 LYS HA H 1 3.95 0.02 . 1 . . . A 112 LYS HA . 17432 1 525 . 1 1 112 112 LYS CA C 13 60.818 0.2 . 1 . . . A 112 LYS CA . 17432 1 526 . 1 1 112 112 LYS CB C 13 32.954 0.2 . 1 . . . A 112 LYS CB . 17432 1 527 . 1 1 112 112 LYS N N 15 119.09 0.1 . 1 . . . A 112 LYS N . 17432 1 528 . 1 1 113 113 VAL H H 1 6.85 0.02 . 1 . . . A 113 VAL H . 17432 1 529 . 1 1 113 113 VAL HA H 1 3.34 0.02 . 1 . . . A 113 VAL HA . 17432 1 530 . 1 1 113 113 VAL CA C 13 65.759 0.2 . 1 . . . A 113 VAL CA . 17432 1 531 . 1 1 113 113 VAL CB C 13 32.975 0.2 . 1 . . . A 113 VAL CB . 17432 1 532 . 1 1 113 113 VAL N N 15 116.77 0.1 . 1 . . . A 113 VAL N . 17432 1 533 . 1 1 114 114 PHE H H 1 7.96 0.02 . 1 . . . A 114 PHE H . 17432 1 534 . 1 1 114 114 PHE HA H 1 3.92 0.02 . 1 . . . A 114 PHE HA . 17432 1 535 . 1 1 114 114 PHE CA C 13 60.322 0.2 . 1 . . . A 114 PHE CA . 17432 1 536 . 1 1 114 114 PHE CB C 13 38 0.2 . 1 . . . A 114 PHE CB . 17432 1 537 . 1 1 114 114 PHE N N 15 120.97 0.1 . 1 . . . A 114 PHE N . 17432 1 538 . 1 1 115 115 TRP H H 1 8.99 0.02 . 1 . . . A 115 TRP H . 17432 1 539 . 1 1 115 115 TRP HA H 1 3.84 0.02 . 1 . . . A 115 TRP HA . 17432 1 540 . 1 1 115 115 TRP CA C 13 59.673 0.2 . 1 . . . A 115 TRP CA . 17432 1 541 . 1 1 115 115 TRP N N 15 120.696 0.1 . 1 . . . A 115 TRP N . 17432 1 542 . 1 1 116 116 GLU H H 1 7.43 0.02 . 1 . . . A 116 GLU H . 17432 1 543 . 1 1 116 116 GLU HA H 1 4.06 0.02 . 1 . . . A 116 GLU HA . 17432 1 544 . 1 1 116 116 GLU CA C 13 57.736 0.2 . 1 . . . A 116 GLU CA . 17432 1 545 . 1 1 116 116 GLU CB C 13 30.212 0.2 . 1 . . . A 116 GLU CB . 17432 1 546 . 1 1 116 116 GLU N N 15 106.2 0.1 . 1 . . . A 116 GLU N . 17432 1 547 . 1 1 117 117 ASN H H 1 7.29 0.02 . 1 . . . A 117 ASN H . 17432 1 548 . 1 1 117 117 ASN HA H 1 4.79 0.02 . 1 . . . A 117 ASN HA . 17432 1 549 . 1 1 117 117 ASN CA C 13 53.867 0.2 . 1 . . . A 117 ASN CA . 17432 1 550 . 1 1 117 117 ASN CB C 13 39.584 0.2 . 1 . . . A 117 ASN CB . 17432 1 551 . 1 1 117 117 ASN N N 15 113.05 0.1 . 1 . . . A 117 ASN N . 17432 1 552 . 1 1 118 118 HIS H H 1 7.77 0.02 . 1 . . . A 118 HIS H . 17432 1 553 . 1 1 118 118 HIS HA H 1 4.4 0.02 . 1 . . . A 118 HIS HA . 17432 1 554 . 1 1 118 118 HIS CA C 13 54.5 0.2 . 1 . . . A 118 HIS CA . 17432 1 555 . 1 1 118 118 HIS CB C 13 30.79 0.2 . 1 . . . A 118 HIS CB . 17432 1 556 . 1 1 118 118 HIS N N 15 113.8 0.1 . 1 . . . A 118 HIS N . 17432 1 557 . 1 1 119 119 ASP H H 1 9.23 0.02 . 1 . . . A 119 ASP H . 17432 1 558 . 1 1 119 119 ASP HA H 1 4.82 0.02 . 1 . . . A 119 ASP HA . 17432 1 559 . 1 1 119 119 ASP CA C 13 50.057 0.2 . 1 . . . A 119 ASP CA . 17432 1 560 . 1 1 119 119 ASP CB C 13 38.721 0.2 . 1 . . . A 119 ASP CB . 17432 1 561 . 1 1 119 119 ASP N N 15 120.8 0.1 . 1 . . . A 119 ASP N . 17432 1 562 . 1 1 120 120 PRO HA H 1 4.69 0.02 . 1 . . . A 120 PRO HA . 17432 1 563 . 1 1 120 120 PRO CA C 13 63.98 0.2 . 1 . . . A 120 PRO CA . 17432 1 564 . 1 1 120 120 PRO CB C 13 31.75 0.2 . 1 . . . A 120 PRO CB . 17432 1 565 . 1 1 121 121 THR H H 1 8.36 0.02 . 1 . . . A 121 THR H . 17432 1 566 . 1 1 121 121 THR HA H 1 5.02 0.02 . 1 . . . A 121 THR HA . 17432 1 567 . 1 1 121 121 THR CA C 13 62.01 0.2 . 1 . . . A 121 THR CA . 17432 1 568 . 1 1 121 121 THR CB C 13 70.1 0.2 . 1 . . . A 121 THR CB . 17432 1 569 . 1 1 121 121 THR N N 15 110.7 0.1 . 1 . . . A 121 THR N . 17432 1 570 . 1 1 122 122 GLN H H 1 8.23 0.02 . 1 . . . A 122 GLN H . 17432 1 571 . 1 1 122 122 GLN HA H 1 4.16 0.02 . 1 . . . A 122 GLN HA . 17432 1 572 . 1 1 122 122 GLN CA C 13 57.182 0.2 . 1 . . . A 122 GLN CA . 17432 1 573 . 1 1 122 122 GLN N N 15 121.85 0.1 . 1 . . . A 122 GLN N . 17432 1 574 . 1 1 123 123 GLY H H 1 6.95 0.02 . 1 . . . A 123 GLY H . 17432 1 575 . 1 1 123 123 GLY HA2 H 1 4.12 0.02 . 2 . . . A 123 GLY HA2 . 17432 1 576 . 1 1 123 123 GLY HA3 H 1 3.51 0.02 . 2 . . . A 123 GLY HA3 . 17432 1 577 . 1 1 123 123 GLY CA C 13 45.071 0.2 . 1 . . . A 123 GLY CA . 17432 1 578 . 1 1 123 123 GLY N N 15 110.78 0.1 . 1 . . . A 123 GLY N . 17432 1 579 . 1 1 124 124 MET H H 1 9.12 0.02 . 1 . . . A 124 MET H . 17432 1 580 . 1 1 124 124 MET HA H 1 4.56 0.02 . 1 . . . A 124 MET HA . 17432 1 581 . 1 1 124 124 MET CA C 13 51.8 0.2 . 1 . . . A 124 MET CA . 17432 1 582 . 1 1 124 124 MET CB C 13 29 0.2 . 1 . . . A 124 MET CB . 17432 1 583 . 1 1 124 124 MET N N 15 129.2 0.1 . 1 . . . A 124 MET N . 17432 1 584 . 1 1 125 125 ARG H H 1 7.96 0.02 . 1 . . . A 125 ARG H . 17432 1 585 . 1 1 125 125 ARG HA H 1 4.46 0.02 . 1 . . . A 125 ARG HA . 17432 1 586 . 1 1 125 125 ARG CA C 13 55.354 0.2 . 1 . . . A 125 ARG CA . 17432 1 587 . 1 1 125 125 ARG CB C 13 32.05 0.2 . 1 . . . A 125 ARG CB . 17432 1 588 . 1 1 125 125 ARG N N 15 120.35 0.1 . 1 . . . A 125 ARG N . 17432 1 589 . 1 1 126 126 GLN H H 1 8.72 0.02 . 1 . . . A 126 GLN H . 17432 1 590 . 1 1 126 126 GLN HA H 1 4.84 0.02 . 1 . . . A 126 GLN HA . 17432 1 591 . 1 1 126 126 GLN CA C 13 55.083 0.2 . 1 . . . A 126 GLN CA . 17432 1 592 . 1 1 126 126 GLN CB C 13 30.078 0.2 . 1 . . . A 126 GLN CB . 17432 1 593 . 1 1 126 126 GLN N N 15 120.94 0.1 . 1 . . . A 126 GLN N . 17432 1 594 . 1 1 127 127 GLY H H 1 10.33 0.02 . 1 . . . A 127 GLY H . 17432 1 595 . 1 1 127 127 GLY HA2 H 1 3.92 0.02 . 2 . . . A 127 GLY HA2 . 17432 1 596 . 1 1 127 127 GLY HA3 H 1 3.65 0.02 . 2 . . . A 127 GLY HA3 . 17432 1 597 . 1 1 127 127 GLY CA C 13 46.969 0.2 . 1 . . . A 127 GLY CA . 17432 1 598 . 1 1 127 127 GLY N N 15 120.71 0.1 . 1 . . . A 127 GLY N . 17432 1 599 . 1 1 128 128 ASN H H 1 9.04 0.02 . 1 . . . A 128 ASN H . 17432 1 600 . 1 1 128 128 ASN HA H 1 4.7 0.02 . 1 . . . A 128 ASN HA . 17432 1 601 . 1 1 128 128 ASN CA C 13 52.939 0.2 . 1 . . . A 128 ASN CA . 17432 1 602 . 1 1 128 128 ASN CB C 13 39.009 0.2 . 1 . . . A 128 ASN CB . 17432 1 603 . 1 1 128 128 ASN N N 15 125.49 0.1 . 1 . . . A 128 ASN N . 17432 1 604 . 1 1 129 129 ASP H H 1 7.75 0.02 . 1 . . . A 129 ASP H . 17432 1 605 . 1 1 129 129 ASP HA H 1 4.52 0.02 . 1 . . . A 129 ASP HA . 17432 1 606 . 1 1 129 129 ASP CA C 13 53.926 0.2 . 1 . . . A 129 ASP CA . 17432 1 607 . 1 1 129 129 ASP CB C 13 38.959 0.2 . 1 . . . A 129 ASP CB . 17432 1 608 . 1 1 129 129 ASP N N 15 120.83 0.1 . 1 . . . A 129 ASP N . 17432 1 609 . 1 1 130 130 PHE H H 1 8.82 0.02 . 1 . . . A 130 PHE H . 17432 1 610 . 1 1 130 130 PHE HA H 1 4.43 0.02 . 1 . . . A 130 PHE HA . 17432 1 611 . 1 1 130 130 PHE CA C 13 57.767 0.2 . 1 . . . A 130 PHE CA . 17432 1 612 . 1 1 130 130 PHE CB C 13 40.795 0.2 . 1 . . . A 130 PHE CB . 17432 1 613 . 1 1 130 130 PHE N N 15 123.84 0.1 . 1 . . . A 130 PHE N . 17432 1 614 . 1 1 131 131 GLY H H 1 8.24 0.02 . 1 . . . A 131 GLY H . 17432 1 615 . 1 1 131 131 GLY HA2 H 1 4.83 0.02 . 2 . . . A 131 GLY HA2 . 17432 1 616 . 1 1 131 131 GLY HA3 H 1 3.95 0.02 . 2 . . . A 131 GLY HA3 . 17432 1 617 . 1 1 131 131 GLY CA C 13 45.01 0.2 . 1 . . . A 131 GLY CA . 17432 1 618 . 1 1 131 131 GLY N N 15 111.88 0.1 . 1 . . . A 131 GLY N . 17432 1 619 . 1 1 132 132 THR H H 1 9.21 0.02 . 1 . . . A 132 THR H . 17432 1 620 . 1 1 132 132 THR HA H 1 4.22 0.02 . 1 . . . A 132 THR HA . 17432 1 621 . 1 1 132 132 THR CA C 13 64.355 0.2 . 1 . . . A 132 THR CA . 17432 1 622 . 1 1 132 132 THR CB C 13 70.044 0.2 . 1 . . . A 132 THR CB . 17432 1 623 . 1 1 132 132 THR N N 15 113.04 0.1 . 1 . . . A 132 THR N . 17432 1 624 . 1 1 133 133 GLN H H 1 10.45 0.02 . 1 . . . A 133 GLN H . 17432 1 625 . 1 1 133 133 GLN HA H 1 5.16 0.02 . 1 . . . A 133 GLN HA . 17432 1 626 . 1 1 133 133 GLN CA C 13 55.8 0.2 . 1 . . . A 133 GLN CA . 17432 1 627 . 1 1 133 133 GLN CB C 13 27.7 0.2 . 1 . . . A 133 GLN CB . 17432 1 628 . 1 1 133 133 GLN N N 15 124.5 0.1 . 1 . . . A 133 GLN N . 17432 1 629 . 1 1 134 134 TYR H H 1 7.38 0.02 . 1 . . . A 134 TYR H . 17432 1 630 . 1 1 134 134 TYR HA H 1 4.87 0.02 . 1 . . . A 134 TYR HA . 17432 1 631 . 1 1 134 134 TYR CA C 13 56.027 0.2 . 1 . . . A 134 TYR CA . 17432 1 632 . 1 1 134 134 TYR CB C 13 38.083 0.2 . 1 . . . A 134 TYR CB . 17432 1 633 . 1 1 134 134 TYR N N 15 119.5 0.1 . 1 . . . A 134 TYR N . 17432 1 634 . 1 1 135 135 ARG H H 1 6.7 0.02 . 1 . . . A 135 ARG H . 17432 1 635 . 1 1 135 135 ARG HA H 1 4.29 0.02 . 1 . . . A 135 ARG HA . 17432 1 636 . 1 1 135 135 ARG CA C 13 54.81 0.2 . 1 . . . A 135 ARG CA . 17432 1 637 . 1 1 135 135 ARG CB C 13 29.798 0.2 . 1 . . . A 135 ARG CB . 17432 1 638 . 1 1 135 135 ARG N N 15 116.25 0.1 . 1 . . . A 135 ARG N . 17432 1 639 . 1 1 136 136 SER H H 1 7.89 0.02 . 1 . . . A 136 SER H . 17432 1 640 . 1 1 136 136 SER HA H 1 4.57 0.02 . 1 . . . A 136 SER HA . 17432 1 641 . 1 1 136 136 SER CA C 13 58.689 0.2 . 1 . . . A 136 SER CA . 17432 1 642 . 1 1 136 136 SER CB C 13 61.495 0.2 . 1 . . . A 136 SER CB . 17432 1 643 . 1 1 136 136 SER N N 15 117.35 0.1 . 1 . . . A 136 SER N . 17432 1 644 . 1 1 137 137 ALA H H 1 10.13 0.02 . 1 . . . A 137 ALA H . 17432 1 645 . 1 1 137 137 ALA HA H 1 5.1 0.02 . 1 . . . A 137 ALA HA . 17432 1 646 . 1 1 137 137 ALA CA C 13 52.6 0.2 . 1 . . . A 137 ALA CA . 17432 1 647 . 1 1 137 137 ALA CB C 13 22.3 0.2 . 1 . . . A 137 ALA CB . 17432 1 648 . 1 1 137 137 ALA N N 15 133 0.1 . 1 . . . A 137 ALA N . 17432 1 649 . 1 1 138 138 VAL H H 1 8.06 0.02 . 1 . . . A 138 VAL H . 17432 1 650 . 1 1 138 138 VAL HA H 1 3.88 0.02 . 1 . . . A 138 VAL HA . 17432 1 651 . 1 1 138 138 VAL CA C 13 62.23 0.2 . 1 . . . A 138 VAL CA . 17432 1 652 . 1 1 138 138 VAL CB C 13 34.685 0.2 . 1 . . . A 138 VAL CB . 17432 1 653 . 1 1 138 138 VAL N N 15 118.52 0.1 . 1 . . . A 138 VAL N . 17432 1 654 . 1 1 139 139 TYR H H 1 7.84 0.02 . 1 . . . A 139 TYR H . 17432 1 655 . 1 1 139 139 TYR HA H 1 5.97 0.02 . 1 . . . A 139 TYR HA . 17432 1 656 . 1 1 139 139 TYR CA C 13 62.315 0.2 . 1 . . . A 139 TYR CA . 17432 1 657 . 1 1 139 139 TYR CB C 13 37.32 0.2 . 1 . . . A 139 TYR CB . 17432 1 658 . 1 1 139 139 TYR N N 15 124.41 0.1 . 1 . . . A 139 TYR N . 17432 1 659 . 1 1 140 140 PRO HA H 1 3.99 0.02 . 1 . . . A 140 PRO HA . 17432 1 660 . 1 1 140 140 PRO CA C 13 62.6 0.2 . 1 . . . A 140 PRO CA . 17432 1 661 . 1 1 140 140 PRO CB C 13 34.4 0.2 . 1 . . . A 140 PRO CB . 17432 1 662 . 1 1 141 141 THR H H 1 8.89 0.02 . 1 . . . A 141 THR H . 17432 1 663 . 1 1 141 141 THR HA H 1 4.51 0.02 . 1 . . . A 141 THR HA . 17432 1 664 . 1 1 141 141 THR CA C 13 61.032 0.2 . 1 . . . A 141 THR CA . 17432 1 665 . 1 1 141 141 THR CB C 13 69.66 0.2 . 1 . . . A 141 THR CB . 17432 1 666 . 1 1 141 141 THR N N 15 113.44 0.1 . 1 . . . A 141 THR N . 17432 1 667 . 1 1 142 142 SER H H 1 7.26 0.02 . 1 . . . A 142 SER H . 17432 1 668 . 1 1 142 142 SER HA H 1 4.69 0.02 . 1 . . . A 142 SER HA . 17432 1 669 . 1 1 142 142 SER CA C 13 56.367 0.2 . 1 . . . A 142 SER CA . 17432 1 670 . 1 1 142 142 SER CB C 13 66.455 0.2 . 1 . . . A 142 SER CB . 17432 1 671 . 1 1 142 142 SER N N 15 113.4 0.1 . 1 . . . A 142 SER N . 17432 1 672 . 1 1 143 143 ALA HA H 1 4.15 0.02 . 1 . . . A 143 ALA HA . 17432 1 673 . 1 1 143 143 ALA CA C 13 54.82 0.2 . 1 . . . A 143 ALA CA . 17432 1 674 . 1 1 143 143 ALA CB C 13 18.34 0.2 . 1 . . . A 143 ALA CB . 17432 1 675 . 1 1 144 144 VAL H H 1 7.79 0.02 . 1 . . . A 144 VAL H . 17432 1 676 . 1 1 144 144 VAL HA H 1 3.93 0.02 . 1 . . . A 144 VAL HA . 17432 1 677 . 1 1 144 144 VAL CA C 13 65.412 0.2 . 1 . . . A 144 VAL CA . 17432 1 678 . 1 1 144 144 VAL CB C 13 31.743 0.2 . 1 . . . A 144 VAL CB . 17432 1 679 . 1 1 144 144 VAL N N 15 118.11 0.1 . 1 . . . A 144 VAL N . 17432 1 680 . 1 1 145 145 GLN H H 1 7.48 0.02 . 1 . . . A 145 GLN H . 17432 1 681 . 1 1 145 145 GLN HA H 1 3.68 0.02 . 1 . . . A 145 GLN HA . 17432 1 682 . 1 1 145 145 GLN CA C 13 58.488 0.2 . 1 . . . A 145 GLN CA . 17432 1 683 . 1 1 145 145 GLN CB C 13 29.527 0.2 . 1 . . . A 145 GLN CB . 17432 1 684 . 1 1 145 145 GLN N N 15 120 0.1 . 1 . . . A 145 GLN N . 17432 1 685 . 1 1 146 146 MET H H 1 7.75 0.02 . 1 . . . A 146 MET H . 17432 1 686 . 1 1 146 146 MET HA H 1 4.17 0.02 . 1 . . . A 146 MET HA . 17432 1 687 . 1 1 146 146 MET CA C 13 58.54 0.2 . 1 . . . A 146 MET CA . 17432 1 688 . 1 1 146 146 MET CB C 13 32.138 0.2 . 1 . . . A 146 MET CB . 17432 1 689 . 1 1 146 146 MET N N 15 120.83 0.1 . 1 . . . A 146 MET N . 17432 1 690 . 1 1 147 147 GLU H H 1 7.89 0.02 . 1 . . . A 147 GLU H . 17432 1 691 . 1 1 147 147 GLU HA H 1 4.33 0.02 . 1 . . . A 147 GLU HA . 17432 1 692 . 1 1 147 147 GLU CA C 13 59.646 0.2 . 1 . . . A 147 GLU CA . 17432 1 693 . 1 1 147 147 GLU CB C 13 29.414 0.2 . 1 . . . A 147 GLU CB . 17432 1 694 . 1 1 147 147 GLU N N 15 117.69 0.1 . 1 . . . A 147 GLU N . 17432 1 695 . 1 1 148 148 ALA H H 1 7.71 0.02 . 1 . . . A 148 ALA H . 17432 1 696 . 1 1 148 148 ALA HA H 1 4.3 0.02 . 1 . . . A 148 ALA HA . 17432 1 697 . 1 1 148 148 ALA CA C 13 54.875 0.2 . 1 . . . A 148 ALA CA . 17432 1 698 . 1 1 148 148 ALA CB C 13 18.995 0.2 . 1 . . . A 148 ALA CB . 17432 1 699 . 1 1 148 148 ALA N N 15 119.82 0.1 . 1 . . . A 148 ALA N . 17432 1 700 . 1 1 149 149 ALA H H 1 9.25 0.02 . 1 . . . A 149 ALA H . 17432 1 701 . 1 1 149 149 ALA HA H 1 4.3 0.02 . 1 . . . A 149 ALA HA . 17432 1 702 . 1 1 149 149 ALA CA C 13 55.626 0.2 . 1 . . . A 149 ALA CA . 17432 1 703 . 1 1 149 149 ALA CB C 13 18.399 0.2 . 1 . . . A 149 ALA CB . 17432 1 704 . 1 1 149 149 ALA N N 15 122.95 0.1 . 1 . . . A 149 ALA N . 17432 1 705 . 1 1 150 150 LEU H H 1 8.57 0.02 . 1 . . . A 150 LEU H . 17432 1 706 . 1 1 150 150 LEU HA H 1 4.17 0.02 . 1 . . . A 150 LEU HA . 17432 1 707 . 1 1 150 150 LEU CA C 13 58.345 0.2 . 1 . . . A 150 LEU CA . 17432 1 708 . 1 1 150 150 LEU CB C 13 41.614 0.2 . 1 . . . A 150 LEU CB . 17432 1 709 . 1 1 150 150 LEU N N 15 118.52 0.1 . 1 . . . A 150 LEU N . 17432 1 710 . 1 1 151 151 ARG H H 1 8.19 0.02 . 1 . . . A 151 ARG H . 17432 1 711 . 1 1 151 151 ARG HA H 1 4.24 0.02 . 1 . . . A 151 ARG HA . 17432 1 712 . 1 1 151 151 ARG CA C 13 59.299 0.2 . 1 . . . A 151 ARG CA . 17432 1 713 . 1 1 151 151 ARG CB C 13 30.33 0.2 . 1 . . . A 151 ARG CB . 17432 1 714 . 1 1 151 151 ARG N N 15 119.86 0.1 . 1 . . . A 151 ARG N . 17432 1 715 . 1 1 152 152 SER H H 1 8.34 0.02 . 1 . . . A 152 SER H . 17432 1 716 . 1 1 152 152 SER HA H 1 4.27 0.02 . 1 . . . A 152 SER HA . 17432 1 717 . 1 1 152 152 SER CA C 13 61.173 0.2 . 1 . . . A 152 SER CA . 17432 1 718 . 1 1 152 152 SER CB C 13 62.709 0.2 . 1 . . . A 152 SER CB . 17432 1 719 . 1 1 152 152 SER N N 15 114.24 0.1 . 1 . . . A 152 SER N . 17432 1 720 . 1 1 153 153 LYS H H 1 8.23 0.02 . 1 . . . A 153 LYS H . 17432 1 721 . 1 1 153 153 LYS HA H 1 3.42 0.02 . 1 . . . A 153 LYS HA . 17432 1 722 . 1 1 153 153 LYS CA C 13 59.827 0.2 . 1 . . . A 153 LYS CA . 17432 1 723 . 1 1 153 153 LYS CB C 13 32.307 0.2 . 1 . . . A 153 LYS CB . 17432 1 724 . 1 1 153 153 LYS N N 15 124.08 0.1 . 1 . . . A 153 LYS N . 17432 1 725 . 1 1 154 154 GLU H H 1 7.68 0.02 . 1 . . . A 154 GLU H . 17432 1 726 . 1 1 154 154 GLU HA H 1 4.03 0.02 . 1 . . . A 154 GLU HA . 17432 1 727 . 1 1 154 154 GLU CA C 13 58.905 0.2 . 1 . . . A 154 GLU CA . 17432 1 728 . 1 1 154 154 GLU CB C 13 29.066 0.2 . 1 . . . A 154 GLU CB . 17432 1 729 . 1 1 154 154 GLU N N 15 118.51 0.1 . 1 . . . A 154 GLU N . 17432 1 730 . 1 1 155 155 GLU H H 1 7.89 0.02 . 1 . . . A 155 GLU H . 17432 1 731 . 1 1 155 155 GLU HA H 1 4.05 0.02 . 1 . . . A 155 GLU HA . 17432 1 732 . 1 1 155 155 GLU CA C 13 58.689 0.2 . 1 . . . A 155 GLU CA . 17432 1 733 . 1 1 155 155 GLU CB C 13 29.414 0.2 . 1 . . . A 155 GLU CB . 17432 1 734 . 1 1 155 155 GLU N N 15 117.52 0.1 . 1 . . . A 155 GLU N . 17432 1 735 . 1 1 156 156 TYR H H 1 8.77 0.02 . 1 . . . A 156 TYR H . 17432 1 736 . 1 1 156 156 TYR HA H 1 4.45 0.02 . 1 . . . A 156 TYR HA . 17432 1 737 . 1 1 156 156 TYR CA C 13 58.448 0.2 . 1 . . . A 156 TYR CA . 17432 1 738 . 1 1 156 156 TYR CB C 13 36.199 0.2 . 1 . . . A 156 TYR CB . 17432 1 739 . 1 1 156 156 TYR N N 15 121.33 0.1 . 1 . . . A 156 TYR N . 17432 1 740 . 1 1 157 157 GLN H H 1 8.65 0.02 . 1 . . . A 157 GLN H . 17432 1 741 . 1 1 157 157 GLN HA H 1 3.64 0.02 . 1 . . . A 157 GLN HA . 17432 1 742 . 1 1 157 157 GLN CA C 13 58.327 0.2 . 1 . . . A 157 GLN CA . 17432 1 743 . 1 1 157 157 GLN CB C 13 29.546 0.2 . 1 . . . A 157 GLN CB . 17432 1 744 . 1 1 157 157 GLN N N 15 117.87 0.1 . 1 . . . A 157 GLN N . 17432 1 745 . 1 1 158 158 LYS H H 1 7.16 0.02 . 1 . . . A 158 LYS H . 17432 1 746 . 1 1 158 158 LYS HA H 1 4.02 0.02 . 1 . . . A 158 LYS HA . 17432 1 747 . 1 1 158 158 LYS CA C 13 59.897 0.2 . 1 . . . A 158 LYS CA . 17432 1 748 . 1 1 158 158 LYS CB C 13 32.618 0.2 . 1 . . . A 158 LYS CB . 17432 1 749 . 1 1 158 158 LYS N N 15 115.74 0.1 . 1 . . . A 158 LYS N . 17432 1 750 . 1 1 159 159 VAL H H 1 6.97 0.02 . 1 . . . A 159 VAL H . 17432 1 751 . 1 1 159 159 VAL HA H 1 4.03 0.02 . 1 . . . A 159 VAL HA . 17432 1 752 . 1 1 159 159 VAL CA C 13 65 0.2 . 1 . . . A 159 VAL CA . 17432 1 753 . 1 1 159 159 VAL CB C 13 31.399 0.2 . 1 . . . A 159 VAL CB . 17432 1 754 . 1 1 159 159 VAL N N 15 114.34 0.1 . 1 . . . A 159 VAL N . 17432 1 755 . 1 1 160 160 LEU H H 1 8.45 0.02 . 1 . . . A 160 LEU H . 17432 1 756 . 1 1 160 160 LEU HA H 1 3.86 0.02 . 1 . . . A 160 LEU HA . 17432 1 757 . 1 1 160 160 LEU CA C 13 58.436 0.2 . 1 . . . A 160 LEU CA . 17432 1 758 . 1 1 160 160 LEU CB C 13 40.7 0.2 . 1 . . . A 160 LEU CB . 17432 1 759 . 1 1 160 160 LEU N N 15 122.69 0.1 . 1 . . . A 160 LEU N . 17432 1 760 . 1 1 161 161 SER H H 1 8.89 0.02 . 1 . . . A 161 SER H . 17432 1 761 . 1 1 161 161 SER HA H 1 4.45 0.02 . 1 . . . A 161 SER HA . 17432 1 762 . 1 1 161 161 SER CA C 13 58.321 0.2 . 1 . . . A 161 SER CA . 17432 1 763 . 1 1 161 161 SER CB C 13 62.929 0.2 . 1 . . . A 161 SER CB . 17432 1 764 . 1 1 161 161 SER N N 15 116.52 0.1 . 1 . . . A 161 SER N . 17432 1 765 . 1 1 162 162 LYS H H 1 7.37 0.02 . 1 . . . A 162 LYS H . 17432 1 766 . 1 1 162 162 LYS HA H 1 4.1 0.02 . 1 . . . A 162 LYS HA . 17432 1 767 . 1 1 162 162 LYS CA C 13 58.226 0.2 . 1 . . . A 162 LYS CA . 17432 1 768 . 1 1 162 162 LYS CB C 13 31.972 0.2 . 1 . . . A 162 LYS CB . 17432 1 769 . 1 1 162 162 LYS N N 15 122.31 0.1 . 1 . . . A 162 LYS N . 17432 1 770 . 1 1 163 163 HIS H H 1 7.55 0.02 . 1 . . . A 163 HIS H . 17432 1 771 . 1 1 163 163 HIS HA H 1 4.54 0.02 . 1 . . . A 163 HIS HA . 17432 1 772 . 1 1 163 163 HIS CA C 13 56.421 0.2 . 1 . . . A 163 HIS CA . 17432 1 773 . 1 1 163 163 HIS CB C 13 29.777 0.2 . 1 . . . A 163 HIS CB . 17432 1 774 . 1 1 163 163 HIS N N 15 116.98 0.1 . 1 . . . A 163 HIS N . 17432 1 775 . 1 1 164 164 ASN H H 1 7.82 0.02 . 1 . . . A 164 ASN H . 17432 1 776 . 1 1 164 164 ASN HA H 1 4.35 0.02 . 1 . . . A 164 ASN HA . 17432 1 777 . 1 1 164 164 ASN CA C 13 54.989 0.2 . 1 . . . A 164 ASN CA . 17432 1 778 . 1 1 164 164 ASN CB C 13 36.478 0.2 . 1 . . . A 164 ASN CB . 17432 1 779 . 1 1 164 164 ASN N N 15 111.33 0.1 . 1 . . . A 164 ASN N . 17432 1 780 . 1 1 165 165 PHE H H 1 7.88 0.02 . 1 . . . A 165 PHE H . 17432 1 781 . 1 1 165 165 PHE HA H 1 4.45 0.02 . 1 . . . A 165 PHE HA . 17432 1 782 . 1 1 165 165 PHE CA C 13 58.689 0.2 . 1 . . . A 165 PHE CA . 17432 1 783 . 1 1 165 165 PHE CB C 13 41.373 0.2 . 1 . . . A 165 PHE CB . 17432 1 784 . 1 1 165 165 PHE N N 15 117.17 0.1 . 1 . . . A 165 PHE N . 17432 1 785 . 1 1 166 166 GLY H H 1 9.05 0.02 . 1 . . . A 166 GLY H . 17432 1 786 . 1 1 166 166 GLY HA2 H 1 4.18 0.02 . 2 . . . A 166 GLY HA2 . 17432 1 787 . 1 1 166 166 GLY HA3 H 1 3.92 0.02 . 2 . . . A 166 GLY HA3 . 17432 1 788 . 1 1 166 166 GLY CA C 13 44.241 0.2 . 1 . . . A 166 GLY CA . 17432 1 789 . 1 1 166 166 GLY N N 15 108.208 0.1 . 1 . . . A 166 GLY N . 17432 1 790 . 1 1 167 167 PRO HA H 1 4.38 0.02 . 1 . . . A 167 PRO HA . 17432 1 791 . 1 1 167 167 PRO CA C 13 62.06 0.2 . 1 . . . A 167 PRO CA . 17432 1 792 . 1 1 167 167 PRO CB C 13 32.38 0.2 . 1 . . . A 167 PRO CB . 17432 1 793 . 1 1 168 168 ILE H H 1 9.11 0.02 . 1 . . . A 168 ILE H . 17432 1 794 . 1 1 168 168 ILE HA H 1 3.94 0.02 . 1 . . . A 168 ILE HA . 17432 1 795 . 1 1 168 168 ILE CA C 13 63.279 0.2 . 1 . . . A 168 ILE CA . 17432 1 796 . 1 1 168 168 ILE CB C 13 39.061 0.2 . 1 . . . A 168 ILE CB . 17432 1 797 . 1 1 168 168 ILE N N 15 122.67 0.1 . 1 . . . A 168 ILE N . 17432 1 798 . 1 1 169 169 THR H H 1 10 0.02 . 1 . . . A 169 THR H . 17432 1 799 . 1 1 169 169 THR HA H 1 4.42 0.02 . 1 . . . A 169 THR HA . 17432 1 800 . 1 1 169 169 THR CA C 13 61.793 0.2 . 1 . . . A 169 THR CA . 17432 1 801 . 1 1 169 169 THR CB C 13 69.228 0.2 . 1 . . . A 169 THR CB . 17432 1 802 . 1 1 169 169 THR N N 15 120.521 0.1 . 1 . . . A 169 THR N . 17432 1 803 . 1 1 170 170 THR H H 1 7.69 0.02 . 1 . . . A 170 THR H . 17432 1 804 . 1 1 170 170 THR HA H 1 3.66 0.02 . 1 . . . A 170 THR HA . 17432 1 805 . 1 1 170 170 THR CA C 13 65.443 0.2 . 1 . . . A 170 THR CA . 17432 1 806 . 1 1 170 170 THR CB C 13 70.055 0.2 . 1 . . . A 170 THR CB . 17432 1 807 . 1 1 170 170 THR N N 15 119.18 0.1 . 1 . . . A 170 THR N . 17432 1 808 . 1 1 171 171 ASP H H 1 8.94 0.02 . 1 . . . A 171 ASP H . 17432 1 809 . 1 1 171 171 ASP HA H 1 4.56 0.02 . 1 . . . A 171 ASP HA . 17432 1 810 . 1 1 171 171 ASP CA C 13 52.66 0.2 . 1 . . . A 171 ASP CA . 17432 1 811 . 1 1 171 171 ASP CB C 13 42.71 0.2 . 1 . . . A 171 ASP CB . 17432 1 812 . 1 1 171 171 ASP N N 15 129.5 0.1 . 1 . . . A 171 ASP N . 17432 1 813 . 1 1 172 172 ILE H H 1 8.1 0.02 . 1 . . . A 172 ILE H . 17432 1 814 . 1 1 172 172 ILE HA H 1 5.59 0.02 . 1 . . . A 172 ILE HA . 17432 1 815 . 1 1 172 172 ILE CA C 13 60.641 0.2 . 1 . . . A 172 ILE CA . 17432 1 816 . 1 1 172 172 ILE CB C 13 38.027 0.2 . 1 . . . A 172 ILE CB . 17432 1 817 . 1 1 172 172 ILE N N 15 125.52 0.1 . 1 . . . A 172 ILE N . 17432 1 818 . 1 1 173 173 ARG H H 1 7.42 0.02 . 1 . . . A 173 ARG H . 17432 1 819 . 1 1 173 173 ARG HA H 1 4.86 0.02 . 1 . . . A 173 ARG HA . 17432 1 820 . 1 1 173 173 ARG CA C 13 55.549 0.2 . 1 . . . A 173 ARG CA . 17432 1 821 . 1 1 173 173 ARG CB C 13 38.06 0.2 . 1 . . . A 173 ARG CB . 17432 1 822 . 1 1 173 173 ARG N N 15 122.72 0.1 . 1 . . . A 173 ARG N . 17432 1 823 . 1 1 174 174 GLU H H 1 9.03 0.02 . 1 . . . A 174 GLU H . 17432 1 824 . 1 1 174 174 GLU HA H 1 4.38 0.02 . 1 . . . A 174 GLU HA . 17432 1 825 . 1 1 174 174 GLU CA C 13 56.683 0.2 . 1 . . . A 174 GLU CA . 17432 1 826 . 1 1 174 174 GLU CB C 13 32.577 0.2 . 1 . . . A 174 GLU CB . 17432 1 827 . 1 1 174 174 GLU N N 15 121.94 0.1 . 1 . . . A 174 GLU N . 17432 1 828 . 1 1 175 175 GLY H H 1 9.08 0.02 . 1 . . . A 175 GLY H . 17432 1 829 . 1 1 175 175 GLY HA2 H 1 3.81 0.02 . 2 . . . A 175 GLY HA2 . 17432 1 830 . 1 1 175 175 GLY HA3 H 1 3.75 0.02 . 2 . . . A 175 GLY HA3 . 17432 1 831 . 1 1 175 175 GLY CA C 13 46.832 0.2 . 1 . . . A 175 GLY CA . 17432 1 832 . 1 1 175 175 GLY N N 15 109.42 0.1 . 1 . . . A 175 GLY N . 17432 1 833 . 1 1 176 176 GLN H H 1 8.74 0.02 . 1 . . . A 176 GLN H . 17432 1 834 . 1 1 176 176 GLN HA H 1 4.11 0.02 . 1 . . . A 176 GLN HA . 17432 1 835 . 1 1 176 176 GLN CA C 13 53.731 0.2 . 1 . . . A 176 GLN CA . 17432 1 836 . 1 1 176 176 GLN CB C 13 27.983 0.2 . 1 . . . A 176 GLN CB . 17432 1 837 . 1 1 176 176 GLN N N 15 118.79 0.1 . 1 . . . A 176 GLN N . 17432 1 838 . 1 1 177 177 VAL H H 1 7.83 0.02 . 1 . . . A 177 VAL H . 17432 1 839 . 1 1 177 177 VAL HA H 1 3.77 0.02 . 1 . . . A 177 VAL HA . 17432 1 840 . 1 1 177 177 VAL CA C 13 61.814 0.2 . 1 . . . A 177 VAL CA . 17432 1 841 . 1 1 177 177 VAL CB C 13 33.384 0.2 . 1 . . . A 177 VAL CB . 17432 1 842 . 1 1 177 177 VAL N N 15 123.46 0.1 . 1 . . . A 177 VAL N . 17432 1 843 . 1 1 178 178 PHE H H 1 8.01 0.02 . 1 . . . A 178 PHE H . 17432 1 844 . 1 1 178 178 PHE HA H 1 4.35 0.02 . 1 . . . A 178 PHE HA . 17432 1 845 . 1 1 178 178 PHE CA C 13 57.685 0.2 . 1 . . . A 178 PHE CA . 17432 1 846 . 1 1 178 178 PHE CB C 13 40.690 0.2 . 1 . . . A 178 PHE CB . 17432 1 847 . 1 1 178 178 PHE N N 15 124.44 0.1 . 1 . . . A 178 PHE N . 17432 1 848 . 1 1 179 179 TYR H H 1 8.21 0.02 . 1 . . . A 179 TYR H . 17432 1 849 . 1 1 179 179 TYR HA H 1 4.63 0.02 . 1 . . . A 179 TYR HA . 17432 1 850 . 1 1 179 179 TYR CA C 13 57.66 0.2 . 1 . . . A 179 TYR CA . 17432 1 851 . 1 1 179 179 TYR CB C 13 40.715 0.2 . 1 . . . A 179 TYR CB . 17432 1 852 . 1 1 179 179 TYR N N 15 127.51 0.1 . 1 . . . A 179 TYR N . 17432 1 853 . 1 1 180 180 TYR H H 1 8.99 0.02 . 1 . . . A 180 TYR H . 17432 1 854 . 1 1 180 180 TYR HA H 1 3.62 0.02 . 1 . . . A 180 TYR HA . 17432 1 855 . 1 1 180 180 TYR CA C 13 59.673 0.2 . 1 . . . A 180 TYR CA . 17432 1 856 . 1 1 180 180 TYR CB C 13 38.4 0.2 . 1 . . . A 180 TYR CB . 17432 1 857 . 1 1 180 180 TYR N N 15 120.69 0.1 . 1 . . . A 180 TYR N . 17432 1 858 . 1 1 181 181 ALA H H 1 7.15 0.02 . 1 . . . A 181 ALA H . 17432 1 859 . 1 1 181 181 ALA HA H 1 4.56 0.02 . 1 . . . A 181 ALA HA . 17432 1 860 . 1 1 181 181 ALA CA C 13 49.873 0.2 . 1 . . . A 181 ALA CA . 17432 1 861 . 1 1 181 181 ALA CB C 13 21.274 0.2 . 1 . . . A 181 ALA CB . 17432 1 862 . 1 1 181 181 ALA N N 15 119 0.1 . 1 . . . A 181 ALA N . 17432 1 863 . 1 1 182 182 GLU H H 1 10.87 0.02 . 1 . . . A 182 GLU H . 17432 1 864 . 1 1 182 182 GLU HA H 1 4.02 0.02 . 1 . . . A 182 GLU HA . 17432 1 865 . 1 1 182 182 GLU CA C 13 59.052 0.2 . 1 . . . A 182 GLU CA . 17432 1 866 . 1 1 182 182 GLU CB C 13 30.749 0.2 . 1 . . . A 182 GLU CB . 17432 1 867 . 1 1 182 182 GLU N N 15 117.59 0.1 . 1 . . . A 182 GLU N . 17432 1 868 . 1 1 183 183 ASP H H 1 8.71 0.02 . 1 . . . A 183 ASP H . 17432 1 869 . 1 1 183 183 ASP HA H 1 4.57 0.02 . 1 . . . A 183 ASP HA . 17432 1 870 . 1 1 183 183 ASP CA C 13 57.994 0.2 . 1 . . . A 183 ASP CA . 17432 1 871 . 1 1 183 183 ASP CB C 13 42.564 0.2 . 1 . . . A 183 ASP CB . 17432 1 872 . 1 1 183 183 ASP N N 15 120.51 0.1 . 1 . . . A 183 ASP N . 17432 1 873 . 1 1 184 184 TYR H H 1 7.84 0.02 . 1 . . . A 184 TYR H . 17432 1 874 . 1 1 184 184 TYR HA H 1 4.25 0.02 . 1 . . . A 184 TYR HA . 17432 1 875 . 1 1 184 184 TYR CA C 13 59.644 0.2 . 1 . . . A 184 TYR CA . 17432 1 876 . 1 1 184 184 TYR CB C 13 36.972 0.2 . 1 . . . A 184 TYR CB . 17432 1 877 . 1 1 184 184 TYR N N 15 113.04 0.1 . 1 . . . A 184 TYR N . 17432 1 878 . 1 1 185 185 HIS H H 1 7.28 0.02 . 1 . . . A 185 HIS H . 17432 1 879 . 1 1 185 185 HIS HA H 1 4.43 0.02 . 1 . . . A 185 HIS HA . 17432 1 880 . 1 1 185 185 HIS CA C 13 58.42 0.2 . 1 . . . A 185 HIS CA . 17432 1 881 . 1 1 185 185 HIS CB C 13 32.85 0.2 . 1 . . . A 185 HIS CB . 17432 1 882 . 1 1 185 185 HIS N N 15 115.9 0.1 . 1 . . . A 185 HIS N . 17432 1 883 . 1 1 186 186 GLN H H 1 7.57 0.02 . 1 . . . A 186 GLN H . 17432 1 884 . 1 1 186 186 GLN HA H 1 3.97 0.02 . 1 . . . A 186 GLN HA . 17432 1 885 . 1 1 186 186 GLN CA C 13 55.559 0.2 . 1 . . . A 186 GLN CA . 17432 1 886 . 1 1 186 186 GLN CB C 13 25.729 0.2 . 1 . . . A 186 GLN CB . 17432 1 887 . 1 1 186 186 GLN N N 15 118.12 0.1 . 1 . . . A 186 GLN N . 17432 1 888 . 1 1 187 187 GLN H H 1 10.2 0.02 . 1 . . . A 187 GLN H . 17432 1 889 . 1 1 187 187 GLN HA H 1 4.1 0.02 . 1 . . . A 187 GLN HA . 17432 1 890 . 1 1 187 187 GLN CA C 13 58.3 0.2 . 1 . . . A 187 GLN CA . 17432 1 891 . 1 1 187 187 GLN CB C 13 26.6 0.2 . 1 . . . A 187 GLN CB . 17432 1 892 . 1 1 187 187 GLN N N 15 123.5 0.1 . 1 . . . A 187 GLN N . 17432 1 893 . 1 1 188 188 TYR H H 1 7.72 0.02 . 1 . . . A 188 TYR H . 17432 1 894 . 1 1 188 188 TYR CA C 13 63.7 0.2 . 1 . . . A 188 TYR CA . 17432 1 895 . 1 1 188 188 TYR CB C 13 39.6 0.2 . 1 . . . A 188 TYR CB . 17432 1 896 . 1 1 188 188 TYR N N 15 120.4 0.1 . 1 . . . A 188 TYR N . 17432 1 897 . 1 1 189 189 LEU H H 1 10.207 0.02 . 1 . . . A 189 LEU H . 17432 1 898 . 1 1 189 189 LEU HA H 1 4.25 0.02 . 1 . . . A 189 LEU HA . 17432 1 899 . 1 1 189 189 LEU CA C 13 55.578 0.2 . 1 . . . A 189 LEU CA . 17432 1 900 . 1 1 189 189 LEU CB C 13 41.5 0.2 . 1 . . . A 189 LEU CB . 17432 1 901 . 1 1 189 189 LEU N N 15 115.21 0.1 . 1 . . . A 189 LEU N . 17432 1 902 . 1 1 190 190 SER H H 1 7.47 0.02 . 1 . . . A 190 SER H . 17432 1 903 . 1 1 190 190 SER HA H 1 4.34 0.02 . 1 . . . A 190 SER HA . 17432 1 904 . 1 1 190 190 SER CA C 13 61.375 0.2 . 1 . . . A 190 SER CA . 17432 1 905 . 1 1 190 190 SER CB C 13 59.272 0.2 . 1 . . . A 190 SER CB . 17432 1 906 . 1 1 190 190 SER N N 15 113.83 0.1 . 1 . . . A 190 SER N . 17432 1 907 . 1 1 191 191 LYS H H 1 6.77 0.02 . 1 . . . A 191 LYS H . 17432 1 908 . 1 1 191 191 LYS HA H 1 3.46 0.02 . 1 . . . A 191 LYS HA . 17432 1 909 . 1 1 191 191 LYS CA C 13 58.6 0.2 . 1 . . . A 191 LYS CA . 17432 1 910 . 1 1 191 191 LYS CB C 13 33.2 0.2 . 1 . . . A 191 LYS CB . 17432 1 911 . 1 1 191 191 LYS N N 15 118.4 0.1 . 1 . . . A 191 LYS N . 17432 1 912 . 1 1 192 192 ASN H H 1 7.94 0.02 . 1 . . . A 192 ASN H . 17432 1 913 . 1 1 192 192 ASN HA H 1 4.83 0.02 . 1 . . . A 192 ASN HA . 17432 1 914 . 1 1 192 192 ASN CA C 13 50.1 0.2 . 1 . . . A 192 ASN CA . 17432 1 915 . 1 1 192 192 ASN CB C 13 38.307 0.2 . 1 . . . A 192 ASN CB . 17432 1 916 . 1 1 192 192 ASN N N 15 114.21 0.1 . 1 . . . A 192 ASN N . 17432 1 917 . 1 1 193 193 PRO HA H 1 4.66 0.02 . 1 . . . A 193 PRO HA . 17432 1 918 . 1 1 193 193 PRO CA C 13 64.4 0.2 . 1 . . . A 193 PRO CA . 17432 1 919 . 1 1 193 193 PRO CB C 13 31.9 0.2 . 1 . . . A 193 PRO CB . 17432 1 920 . 1 1 194 194 ASP H H 1 8.19 0.02 . 1 . . . A 194 ASP H . 17432 1 921 . 1 1 194 194 ASP HA H 1 4.85 0.02 . 1 . . . A 194 ASP HA . 17432 1 922 . 1 1 194 194 ASP CA C 13 53.59 0.2 . 1 . . . A 194 ASP CA . 17432 1 923 . 1 1 194 194 ASP CB C 13 40.498 0.2 . 1 . . . A 194 ASP CB . 17432 1 924 . 1 1 194 194 ASP N N 15 116.98 0.1 . 1 . . . A 194 ASP N . 17432 1 925 . 1 1 195 195 GLY H H 1 8.057 0.02 . 1 . . . A 195 GLY H . 17432 1 926 . 1 1 195 195 GLY HA2 H 1 4.05 0.02 . 2 . . . A 195 GLY HA2 . 17432 1 927 . 1 1 195 195 GLY HA3 H 1 3.53 0.02 . 2 . . . A 195 GLY HA3 . 17432 1 928 . 1 1 195 195 GLY CA C 13 45.263 0.2 . 1 . . . A 195 GLY CA . 17432 1 929 . 1 1 195 195 GLY N N 15 107.3 0.1 . 1 . . . A 195 GLY N . 17432 1 930 . 1 1 196 196 TYR H H 1 8.27 0.02 . 1 . . . A 196 TYR H . 17432 1 931 . 1 1 196 196 TYR HA H 1 4.66 0.02 . 1 . . . A 196 TYR HA . 17432 1 932 . 1 1 196 196 TYR CA C 13 58.633 0.2 . 1 . . . A 196 TYR CA . 17432 1 933 . 1 1 196 196 TYR CB C 13 39.47 0.2 . 1 . . . A 196 TYR CB . 17432 1 934 . 1 1 196 196 TYR N N 15 120.74 0.1 . 1 . . . A 196 TYR N . 17432 1 935 . 1 1 197 197 CYS H H 1 8.17 0.02 . 1 . . . A 197 CYS H . 17432 1 936 . 1 1 197 197 CYS CA C 13 57.2 0.2 . 1 . . . A 197 CYS CA . 17432 1 937 . 1 1 197 197 CYS CB C 13 29.3 0.2 . 1 . . . A 197 CYS CB . 17432 1 938 . 1 1 197 197 CYS N N 15 123.6 0.1 . 1 . . . A 197 CYS N . 17432 1 939 . 1 1 198 198 GLY H H 1 8.44 0.02 . 1 . . . A 198 GLY H . 17432 1 940 . 1 1 198 198 GLY HA2 H 1 3.96 0.02 . 2 . . . A 198 GLY HA2 . 17432 1 941 . 1 1 198 198 GLY HA3 H 1 3.84 0.02 . 2 . . . A 198 GLY HA3 . 17432 1 942 . 1 1 198 198 GLY CA C 13 45.078 0.2 . 1 . . . A 198 GLY CA . 17432 1 943 . 1 1 198 198 GLY N N 15 109.28 0.1 . 1 . . . A 198 GLY N . 17432 1 944 . 1 1 199 199 LEU H H 1 8.41 0.02 . 1 . . . A 199 LEU H . 17432 1 945 . 1 1 199 199 LEU HA H 1 4.42 0.02 . 1 . . . A 199 LEU HA . 17432 1 946 . 1 1 199 199 LEU CA C 13 55.103 0.2 . 1 . . . A 199 LEU CA . 17432 1 947 . 1 1 199 199 LEU CB C 13 43.384 0.2 . 1 . . . A 199 LEU CB . 17432 1 948 . 1 1 199 199 LEU N N 15 120.84 0.1 . 1 . . . A 199 LEU N . 17432 1 949 . 1 1 200 200 GLY H H 1 8.33 0.02 . 1 . . . A 200 GLY H . 17432 1 950 . 1 1 200 200 GLY HA2 H 1 3.89 0.02 . 2 . . . A 200 GLY HA2 . 17432 1 951 . 1 1 200 200 GLY HA3 H 1 3.88 0.02 . 2 . . . A 200 GLY HA3 . 17432 1 952 . 1 1 200 200 GLY CA C 13 44.987 0.2 . 1 . . . A 200 GLY CA . 17432 1 953 . 1 1 200 200 GLY N N 15 109.89 0.1 . 1 . . . A 200 GLY N . 17432 1 954 . 1 1 201 201 GLY H H 1 8.28 0.02 . 1 . . . A 201 GLY H . 17432 1 955 . 1 1 201 201 GLY HA2 H 1 3.94 0.02 . 2 . . . A 201 GLY HA2 . 17432 1 956 . 1 1 201 201 GLY HA3 H 1 3.69 0.02 . 2 . . . A 201 GLY HA3 . 17432 1 957 . 1 1 201 201 GLY CA C 13 43.044 0.2 . 1 . . . A 201 GLY CA . 17432 1 958 . 1 1 201 201 GLY N N 15 105.82 0.1 . 1 . . . A 201 GLY N . 17432 1 959 . 1 1 202 202 THR H H 1 8.49 0.02 . 1 . . . A 202 THR H . 17432 1 960 . 1 1 202 202 THR HA H 1 3.7 0.02 . 1 . . . A 202 THR HA . 17432 1 961 . 1 1 202 202 THR CA C 13 63.221 0.2 . 1 . . . A 202 THR CA . 17432 1 962 . 1 1 202 202 THR CB C 13 71.5 0.2 . 1 . . . A 202 THR CB . 17432 1 963 . 1 1 202 202 THR N N 15 108.63 0.1 . 1 . . . A 202 THR N . 17432 1 964 . 1 1 203 203 GLY H H 1 8.56 0.02 . 1 . . . A 203 GLY H . 17432 1 965 . 1 1 203 203 GLY HA2 H 1 4.19 0.02 . 2 . . . A 203 GLY HA2 . 17432 1 966 . 1 1 203 203 GLY HA3 H 1 3.45 0.02 . 2 . . . A 203 GLY HA3 . 17432 1 967 . 1 1 203 203 GLY CA C 13 44.859 0.2 . 1 . . . A 203 GLY CA . 17432 1 968 . 1 1 203 203 GLY N N 15 110.3 0.1 . 1 . . . A 203 GLY N . 17432 1 969 . 1 1 204 204 VAL H H 1 7.55 0.02 . 1 . . . A 204 VAL H . 17432 1 970 . 1 1 204 204 VAL HA H 1 3.77 0.02 . 1 . . . A 204 VAL HA . 17432 1 971 . 1 1 204 204 VAL CA C 13 61.405 0.2 . 1 . . . A 204 VAL CA . 17432 1 972 . 1 1 204 204 VAL CB C 13 31.181 0.2 . 1 . . . A 204 VAL CB . 17432 1 973 . 1 1 204 204 VAL N N 15 121.92 0.1 . 1 . . . A 204 VAL N . 17432 1 974 . 1 1 205 205 SER H H 1 8.81 0.02 . 1 . . . A 205 SER H . 17432 1 975 . 1 1 205 205 SER HA H 1 4.19 0.02 . 1 . . . A 205 SER HA . 17432 1 976 . 1 1 205 205 SER CA C 13 59.279 0.2 . 1 . . . A 205 SER CA . 17432 1 977 . 1 1 205 205 SER CB C 13 63.265 0.2 . 1 . . . A 205 SER CB . 17432 1 978 . 1 1 205 205 SER N N 15 127.05 0.1 . 1 . . . A 205 SER N . 17432 1 979 . 1 1 206 206 CYS H H 1 10.58 0.02 . 1 . . . A 206 CYS H . 17432 1 980 . 1 1 206 206 CYS CA C 13 63.367 0.2 . 1 . . . A 206 CYS CA . 17432 1 981 . 1 1 206 206 CYS CB C 13 27.97 0.2 . 1 . . . A 206 CYS CB . 17432 1 982 . 1 1 206 206 CYS N N 15 127.89 0.1 . 1 . . . A 206 CYS N . 17432 1 983 . 1 1 207 207 PRO HA H 1 4.44 0.02 . 1 . . . A 207 PRO HA . 17432 1 984 . 1 1 207 207 PRO CA C 13 62.8 0.2 . 1 . . . A 207 PRO CA . 17432 1 985 . 1 1 207 207 PRO CB C 13 31.7 0.2 . 1 . . . A 207 PRO CB . 17432 1 986 . 1 1 208 208 MET H H 1 8.15 0.02 . 1 . . . A 208 MET H . 17432 1 987 . 1 1 208 208 MET HA H 1 4.47 0.02 . 1 . . . A 208 MET HA . 17432 1 988 . 1 1 208 208 MET CA C 13 54.531 0.2 . 1 . . . A 208 MET CA . 17432 1 989 . 1 1 208 208 MET CB C 13 33.58 0.2 . 1 . . . A 208 MET CB . 17432 1 990 . 1 1 208 208 MET N N 15 120.66 0.1 . 1 . . . A 208 MET N . 17432 1 991 . 1 1 209 209 ALA H H 1 8.55 0.02 . 1 . . . A 209 ALA H . 17432 1 992 . 1 1 209 209 ALA HA H 1 4.29 0.02 . 1 . . . A 209 ALA HA . 17432 1 993 . 1 1 209 209 ALA CA C 13 52.09 0.2 . 1 . . . A 209 ALA CA . 17432 1 994 . 1 1 209 209 ALA CB C 13 18.827 0.2 . 1 . . . A 209 ALA CB . 17432 1 995 . 1 1 209 209 ALA N N 15 127.46 0.1 . 1 . . . A 209 ALA N . 17432 1 996 . 1 1 210 210 ILE H H 1 8.1 0.02 . 1 . . . A 210 ILE H . 17432 1 997 . 1 1 210 210 ILE HA H 1 4.08 0.02 . 1 . . . A 210 ILE HA . 17432 1 998 . 1 1 210 210 ILE CA C 13 60.672 0.2 . 1 . . . A 210 ILE CA . 17432 1 999 . 1 1 210 210 ILE CB C 13 38.732 0.2 . 1 . . . A 210 ILE CB . 17432 1 1000 . 1 1 210 210 ILE N N 15 121.2 0.1 . 1 . . . A 210 ILE N . 17432 1 1001 . 1 1 211 211 LYS H H 1 8.39 0.02 . 1 . . . A 211 LYS H . 17432 1 1002 . 1 1 211 211 LYS HA H 1 4.31 0.02 . 1 . . . A 211 LYS HA . 17432 1 1003 . 1 1 211 211 LYS CA C 13 56.217 0.2 . 1 . . . A 211 LYS CA . 17432 1 1004 . 1 1 211 211 LYS CB C 13 32.974 0.2 . 1 . . . A 211 LYS CB . 17432 1 1005 . 1 1 211 211 LYS N N 15 127.31 0.1 . 1 . . . A 211 LYS N . 17432 1 1006 . 1 1 212 212 LYS H H 1 7.95 0.02 . 1 . . . A 212 LYS H . 17432 1 1007 . 1 1 212 212 LYS HA H 1 4.13 0.02 . 1 . . . A 212 LYS HA . 17432 1 1008 . 1 1 212 212 LYS CA C 13 57.566 0.2 . 1 . . . A 212 LYS CA . 17432 1 1009 . 1 1 212 212 LYS CB C 13 33.787 0.2 . 1 . . . A 212 LYS CB . 17432 1 1010 . 1 1 212 212 LYS N N 15 129.49 0.1 . 1 . . . A 212 LYS N . 17432 1 stop_ save_