data_18977 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18977 _Entry.Title ; Assignment of Tyrosine Phosphatase Related to Biofilm formation A (TpbA) from Pseudomonas Aeruginosa bound to phosphate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-26 _Entry.Accession_date 2013-01-26 _Entry.Last_release_date 2014-02-14 _Entry.Original_release_date 2014-02-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dorothy Koveal . . . 18977 2 Wolfgang Peti . . . 18977 3 Rebecca Page . . . 18977 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18977 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 18977 '15N chemical shifts' 166 18977 '1H chemical shifts' 537 18977 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-14 2013-01-26 original author . 18977 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18228 'TpbA, Ligand-free' 18977 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18977 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22392344 _Citation.Full_citation . _Citation.Title 'Backbone and sidechain (1)H, (15)N and (13)C assignments of Tyrosine Phosphatase related to Biofilm formation A (TpbA) of Pseudomonas aeruginosa.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 57 _Citation.Page_last 59 _Citation.Year 2013 _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 Dorothy Koveal . . . 18977 1 2 Thusitha Jayasundera . B. . 18977 1 3 Thomas Wood . K. . 18977 1 4 Wolfgang Peti . . . 18977 1 5 Rebecca Page . . . 18977 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18977 _Assembly.ID 1 _Assembly.Name 'Phosphate-bound TpbA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TpbA 1 $TpbA A . yes native no no . . . 18977 1 2 entity_PO4 2 $entity_PO4 B . no native no no . . . 18977 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TpbA _Entity.Sf_category entity _Entity.Sf_framecode TpbA _Entity.Entry_ID 18977 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TpbA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMAETAAPRSPAWAQAVDP SINLYRMSPTLYRSALPNAQ SVALLQRLQVKTVVSFIKDD DRAWLGQAPVRVVSLPTHAD RVDDAEVLSVLRQLQAAERE GPVLMHCKHGNNRTGLFAAM YRIVVQGWDKQAALEEMQRG GFGDEDDMRDASAYVRGADV DGLRLAMANGECSPSRFALC HVREWMAQALDRP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent non-native residues that remain after cleavage of the N-terminal affinity tag.' _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 193 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 18228 . TpbA . . . . . 100.00 193 100.00 100.00 6.53e-138 . . . . 18977 1 2 no PDB 2M3V . "Solution Structure Of Tyrosine Phosphatase Related To Biofilm Formation A (tpba) From Pseudomonas Aeruginosa" . . . . . 100.00 193 100.00 100.00 6.53e-138 . . . . 18977 1 3 no PDB 4R0S . "Crystal Structure Of P. Aeruginosa Tpba" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18977 1 4 no DBJ BAK91895 . "hypothetical protein NCGM2_5074 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18977 1 5 no DBJ BAP20213 . "hypothetical protein NCGM1900_1089 [Pseudomonas aeruginosa]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18977 1 6 no DBJ BAP49072 . "hypothetical protein NCGM1984_1078 [Pseudomonas aeruginosa]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18977 1 7 no DBJ BAQ37900 . "hypothetical protein PA257_1280 [Pseudomonas aeruginosa]" . . . . . 99.48 218 99.48 99.48 3.42e-135 . . . . 18977 1 8 no DBJ BAR66014 . "protein tyrosine/serine phosphatase [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 97.92 3.77e-132 . . . . 18977 1 9 no EMBL CDH75498 . "putative protein phosphatase [Pseudomonas aeruginosa MH27]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18977 1 10 no EMBL CDM50177 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa WS394]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18977 1 11 no EMBL CDO83381 . "hypothetical protein PA3885 [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18977 1 12 no EMBL CEI03735 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 97.92 3.77e-132 . . . . 18977 1 13 no EMBL CEI78250 . "Protein tyrosine/serine phosphatase [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18977 1 14 no GB AAG07272 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa PAO1]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18977 1 15 no GB AAT49761 . "PA3885, partial [synthetic construct]" . . . . . 99.48 219 97.40 98.44 2.47e-132 . . . . 18977 1 16 no GB ABJ13157 . "putative protein phosphatase [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 99.48 218 99.48 99.48 3.42e-135 . . . . 18977 1 17 no GB AFM63275 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa DK2]" . . . . . 99.48 218 97.40 98.44 2.69e-132 . . . . 18977 1 18 no GB AGI79981 . "hypothetical protein G655_05280 [Pseudomonas aeruginosa B136-33]" . . . . . 99.48 218 99.48 99.48 3.42e-135 . . . . 18977 1 19 no REF NP_252574 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa PAO1]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18977 1 20 no REF WP_003092976 . "MULTISPECIES: protein-tyrosine-phosphatase [Pseudomonas]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18977 1 21 no REF WP_003105672 . "MULTISPECIES: protein-tyrosine-phosphatase [Pseudomonas]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18977 1 22 no REF WP_003111594 . "MULTISPECIES: protein-tyrosine-phosphatase [Pseudomonas]" . . . . . 99.48 218 99.48 99.48 3.42e-135 . . . . 18977 1 23 no REF WP_003118289 . "protein-tyrosine-phosphatase [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 98.44 2.69e-132 . . . . 18977 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 1 GLY . 18977 1 2 2 HIS . 18977 1 3 3 MET . 18977 1 4 4 ALA . 18977 1 5 5 GLU . 18977 1 6 6 THR . 18977 1 7 7 ALA . 18977 1 8 8 ALA . 18977 1 9 9 PRO . 18977 1 10 10 ARG . 18977 1 11 11 SER . 18977 1 12 12 PRO . 18977 1 13 13 ALA . 18977 1 14 14 TRP . 18977 1 15 15 ALA . 18977 1 16 16 GLN . 18977 1 17 17 ALA . 18977 1 18 18 VAL . 18977 1 19 19 ASP . 18977 1 20 20 PRO . 18977 1 21 21 SER . 18977 1 22 22 ILE . 18977 1 23 23 ASN . 18977 1 24 24 LEU . 18977 1 25 25 TYR . 18977 1 26 26 ARG . 18977 1 27 27 MET . 18977 1 28 28 SER . 18977 1 29 29 PRO . 18977 1 30 30 THR . 18977 1 31 31 LEU . 18977 1 32 32 TYR . 18977 1 33 33 ARG . 18977 1 34 34 SER . 18977 1 35 35 ALA . 18977 1 36 36 LEU . 18977 1 37 37 PRO . 18977 1 38 38 ASN . 18977 1 39 39 ALA . 18977 1 40 40 GLN . 18977 1 41 41 SER . 18977 1 42 42 VAL . 18977 1 43 43 ALA . 18977 1 44 44 LEU . 18977 1 45 45 LEU . 18977 1 46 46 GLN . 18977 1 47 47 ARG . 18977 1 48 48 LEU . 18977 1 49 49 GLN . 18977 1 50 50 VAL . 18977 1 51 51 LYS . 18977 1 52 52 THR . 18977 1 53 53 VAL . 18977 1 54 54 VAL . 18977 1 55 55 SER . 18977 1 56 56 PHE . 18977 1 57 57 ILE . 18977 1 58 58 LYS . 18977 1 59 59 ASP . 18977 1 60 60 ASP . 18977 1 61 61 ASP . 18977 1 62 62 ARG . 18977 1 63 63 ALA . 18977 1 64 64 TRP . 18977 1 65 65 LEU . 18977 1 66 66 GLY . 18977 1 67 67 GLN . 18977 1 68 68 ALA . 18977 1 69 69 PRO . 18977 1 70 70 VAL . 18977 1 71 71 ARG . 18977 1 72 72 VAL . 18977 1 73 73 VAL . 18977 1 74 74 SER . 18977 1 75 75 LEU . 18977 1 76 76 PRO . 18977 1 77 77 THR . 18977 1 78 78 HIS . 18977 1 79 79 ALA . 18977 1 80 80 ASP . 18977 1 81 81 ARG . 18977 1 82 82 VAL . 18977 1 83 83 ASP . 18977 1 84 84 ASP . 18977 1 85 85 ALA . 18977 1 86 86 GLU . 18977 1 87 87 VAL . 18977 1 88 88 LEU . 18977 1 89 89 SER . 18977 1 90 90 VAL . 18977 1 91 91 LEU . 18977 1 92 92 ARG . 18977 1 93 93 GLN . 18977 1 94 94 LEU . 18977 1 95 95 GLN . 18977 1 96 96 ALA . 18977 1 97 97 ALA . 18977 1 98 98 GLU . 18977 1 99 99 ARG . 18977 1 100 100 GLU . 18977 1 101 101 GLY . 18977 1 102 102 PRO . 18977 1 103 103 VAL . 18977 1 104 104 LEU . 18977 1 105 105 MET . 18977 1 106 106 HIS . 18977 1 107 107 CYS . 18977 1 108 108 LYS . 18977 1 109 109 HIS . 18977 1 110 110 GLY . 18977 1 111 111 ASN . 18977 1 112 112 ASN . 18977 1 113 113 ARG . 18977 1 114 114 THR . 18977 1 115 115 GLY . 18977 1 116 116 LEU . 18977 1 117 117 PHE . 18977 1 118 118 ALA . 18977 1 119 119 ALA . 18977 1 120 120 MET . 18977 1 121 121 TYR . 18977 1 122 122 ARG . 18977 1 123 123 ILE . 18977 1 124 124 VAL . 18977 1 125 125 VAL . 18977 1 126 126 GLN . 18977 1 127 127 GLY . 18977 1 128 128 TRP . 18977 1 129 129 ASP . 18977 1 130 130 LYS . 18977 1 131 131 GLN . 18977 1 132 132 ALA . 18977 1 133 133 ALA . 18977 1 134 134 LEU . 18977 1 135 135 GLU . 18977 1 136 136 GLU . 18977 1 137 137 MET . 18977 1 138 138 GLN . 18977 1 139 139 ARG . 18977 1 140 140 GLY . 18977 1 141 141 GLY . 18977 1 142 142 PHE . 18977 1 143 143 GLY . 18977 1 144 144 ASP . 18977 1 145 145 GLU . 18977 1 146 146 ASP . 18977 1 147 147 ASP . 18977 1 148 148 MET . 18977 1 149 149 ARG . 18977 1 150 150 ASP . 18977 1 151 151 ALA . 18977 1 152 152 SER . 18977 1 153 153 ALA . 18977 1 154 154 TYR . 18977 1 155 155 VAL . 18977 1 156 156 ARG . 18977 1 157 157 GLY . 18977 1 158 158 ALA . 18977 1 159 159 ASP . 18977 1 160 160 VAL . 18977 1 161 161 ASP . 18977 1 162 162 GLY . 18977 1 163 163 LEU . 18977 1 164 164 ARG . 18977 1 165 165 LEU . 18977 1 166 166 ALA . 18977 1 167 167 MET . 18977 1 168 168 ALA . 18977 1 169 169 ASN . 18977 1 170 170 GLY . 18977 1 171 171 GLU . 18977 1 172 172 CYS . 18977 1 173 173 SER . 18977 1 174 174 PRO . 18977 1 175 175 SER . 18977 1 176 176 ARG . 18977 1 177 177 PHE . 18977 1 178 178 ALA . 18977 1 179 179 LEU . 18977 1 180 180 CYS . 18977 1 181 181 HIS . 18977 1 182 182 VAL . 18977 1 183 183 ARG . 18977 1 184 184 GLU . 18977 1 185 185 TRP . 18977 1 186 186 MET . 18977 1 187 187 ALA . 18977 1 188 188 GLN . 18977 1 189 189 ALA . 18977 1 190 190 LEU . 18977 1 191 191 ASP . 18977 1 192 192 ARG . 18977 1 193 193 PRO . 18977 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 18977 1 . HIS 2 2 18977 1 . MET 3 3 18977 1 . ALA 4 4 18977 1 . GLU 5 5 18977 1 . THR 6 6 18977 1 . ALA 7 7 18977 1 . ALA 8 8 18977 1 . PRO 9 9 18977 1 . ARG 10 10 18977 1 . SER 11 11 18977 1 . PRO 12 12 18977 1 . ALA 13 13 18977 1 . TRP 14 14 18977 1 . ALA 15 15 18977 1 . GLN 16 16 18977 1 . ALA 17 17 18977 1 . VAL 18 18 18977 1 . ASP 19 19 18977 1 . PRO 20 20 18977 1 . SER 21 21 18977 1 . ILE 22 22 18977 1 . ASN 23 23 18977 1 . LEU 24 24 18977 1 . TYR 25 25 18977 1 . ARG 26 26 18977 1 . MET 27 27 18977 1 . SER 28 28 18977 1 . PRO 29 29 18977 1 . THR 30 30 18977 1 . LEU 31 31 18977 1 . TYR 32 32 18977 1 . ARG 33 33 18977 1 . SER 34 34 18977 1 . ALA 35 35 18977 1 . LEU 36 36 18977 1 . PRO 37 37 18977 1 . ASN 38 38 18977 1 . ALA 39 39 18977 1 . GLN 40 40 18977 1 . SER 41 41 18977 1 . VAL 42 42 18977 1 . ALA 43 43 18977 1 . LEU 44 44 18977 1 . LEU 45 45 18977 1 . GLN 46 46 18977 1 . ARG 47 47 18977 1 . LEU 48 48 18977 1 . GLN 49 49 18977 1 . VAL 50 50 18977 1 . LYS 51 51 18977 1 . THR 52 52 18977 1 . VAL 53 53 18977 1 . VAL 54 54 18977 1 . SER 55 55 18977 1 . PHE 56 56 18977 1 . ILE 57 57 18977 1 . LYS 58 58 18977 1 . ASP 59 59 18977 1 . ASP 60 60 18977 1 . ASP 61 61 18977 1 . ARG 62 62 18977 1 . ALA 63 63 18977 1 . TRP 64 64 18977 1 . LEU 65 65 18977 1 . GLY 66 66 18977 1 . GLN 67 67 18977 1 . ALA 68 68 18977 1 . PRO 69 69 18977 1 . VAL 70 70 18977 1 . ARG 71 71 18977 1 . VAL 72 72 18977 1 . VAL 73 73 18977 1 . SER 74 74 18977 1 . LEU 75 75 18977 1 . PRO 76 76 18977 1 . THR 77 77 18977 1 . HIS 78 78 18977 1 . ALA 79 79 18977 1 . ASP 80 80 18977 1 . ARG 81 81 18977 1 . VAL 82 82 18977 1 . ASP 83 83 18977 1 . ASP 84 84 18977 1 . ALA 85 85 18977 1 . GLU 86 86 18977 1 . VAL 87 87 18977 1 . LEU 88 88 18977 1 . SER 89 89 18977 1 . VAL 90 90 18977 1 . LEU 91 91 18977 1 . ARG 92 92 18977 1 . GLN 93 93 18977 1 . LEU 94 94 18977 1 . GLN 95 95 18977 1 . ALA 96 96 18977 1 . ALA 97 97 18977 1 . GLU 98 98 18977 1 . ARG 99 99 18977 1 . GLU 100 100 18977 1 . GLY 101 101 18977 1 . PRO 102 102 18977 1 . VAL 103 103 18977 1 . LEU 104 104 18977 1 . MET 105 105 18977 1 . HIS 106 106 18977 1 . CYS 107 107 18977 1 . LYS 108 108 18977 1 . HIS 109 109 18977 1 . GLY 110 110 18977 1 . ASN 111 111 18977 1 . ASN 112 112 18977 1 . ARG 113 113 18977 1 . THR 114 114 18977 1 . GLY 115 115 18977 1 . LEU 116 116 18977 1 . PHE 117 117 18977 1 . ALA 118 118 18977 1 . ALA 119 119 18977 1 . MET 120 120 18977 1 . TYR 121 121 18977 1 . ARG 122 122 18977 1 . ILE 123 123 18977 1 . VAL 124 124 18977 1 . VAL 125 125 18977 1 . GLN 126 126 18977 1 . GLY 127 127 18977 1 . TRP 128 128 18977 1 . ASP 129 129 18977 1 . LYS 130 130 18977 1 . GLN 131 131 18977 1 . ALA 132 132 18977 1 . ALA 133 133 18977 1 . LEU 134 134 18977 1 . GLU 135 135 18977 1 . GLU 136 136 18977 1 . MET 137 137 18977 1 . GLN 138 138 18977 1 . ARG 139 139 18977 1 . GLY 140 140 18977 1 . GLY 141 141 18977 1 . PHE 142 142 18977 1 . GLY 143 143 18977 1 . ASP 144 144 18977 1 . GLU 145 145 18977 1 . ASP 146 146 18977 1 . ASP 147 147 18977 1 . MET 148 148 18977 1 . ARG 149 149 18977 1 . ASP 150 150 18977 1 . ALA 151 151 18977 1 . SER 152 152 18977 1 . ALA 153 153 18977 1 . TYR 154 154 18977 1 . VAL 155 155 18977 1 . ARG 156 156 18977 1 . GLY 157 157 18977 1 . ALA 158 158 18977 1 . ASP 159 159 18977 1 . VAL 160 160 18977 1 . ASP 161 161 18977 1 . GLY 162 162 18977 1 . LEU 163 163 18977 1 . ARG 164 164 18977 1 . LEU 165 165 18977 1 . ALA 166 166 18977 1 . MET 167 167 18977 1 . ALA 168 168 18977 1 . ASN 169 169 18977 1 . GLY 170 170 18977 1 . GLU 171 171 18977 1 . CYS 172 172 18977 1 . SER 173 173 18977 1 . PRO 174 174 18977 1 . SER 175 175 18977 1 . ARG 176 176 18977 1 . PHE 177 177 18977 1 . ALA 178 178 18977 1 . LEU 179 179 18977 1 . CYS 180 180 18977 1 . HIS 181 181 18977 1 . VAL 182 182 18977 1 . ARG 183 183 18977 1 . GLU 184 184 18977 1 . TRP 185 185 18977 1 . MET 186 186 18977 1 . ALA 187 187 18977 1 . GLN 188 188 18977 1 . ALA 189 189 18977 1 . LEU 190 190 18977 1 . ASP 191 191 18977 1 . ARG 192 192 18977 1 . PRO 193 193 18977 1 stop_ save_ save_entity_PO4 _Entity.Sf_category entity _Entity.Sf_framecode entity_PO4 _Entity.Entry_ID 18977 _Entity.ID 2 _Entity.BMRB_code PO4 _Entity.Name 'PHOSPHATE ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PO4 _Entity.Nonpolymer_comp_label $chem_comp_PO4 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 94.971 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHOSPHATE ION' BMRB 18977 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PHOSPHATE ION' BMRB 18977 2 PO4 'Three letter code' 18977 2 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 1 PO4 $chem_comp_PO4 18977 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 PO4 O1 18977 2 2 1 PO4 O2 18977 2 3 1 PO4 O3 18977 2 4 1 PO4 O4 18977 2 5 1 PO4 P 18977 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 18977 _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 $TpbA . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 18977 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 18977 _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 $TpbA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRP1B . . . . . . 18977 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PO4 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PO4 _Chem_comp.Entry_ID 18977 _Chem_comp.ID PO4 _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHATE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PO4 _Chem_comp.PDB_code PO4 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces IPS _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PO4 _Chem_comp.Number_atoms_all 5 _Chem_comp.Number_atoms_nh 5 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 _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 -3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'O4 P' _Chem_comp.Formula_weight 94.971 _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 1IXG _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 InChI InChI 1.03 18977 PO4 NBIIXXVUZAFLBC-UHFFFAOYSA-K InChIKey InChI 1.03 18977 PO4 [O-][P]([O-])([O-])=O SMILES CACTVS 3.341 18977 PO4 [O-][P]([O-])([O-])=O SMILES_CANONICAL CACTVS 3.341 18977 PO4 [O-]P(=O)([O-])[O-] SMILES 'OpenEye OEToolkits' 1.5.0 18977 PO4 [O-]P(=O)([O-])[O-] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18977 PO4 [O-]P([O-])([O-])=O SMILES ACDLabs 10.04 18977 PO4 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 phosphate 'SYSTEMATIC NAME' ACDLabs 10.04 18977 PO4 phosphate 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18977 PO4 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 P P P P . P . . N 0 . . . 1 no no . . . . 29.995 . 23.516 . 13.249 . 0.000 0.000 0.000 1 . 18977 PO4 O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 31.092 . 22.988 . 14.164 . 0.000 -1.288 -0.911 2 . 18977 PO4 O2 O2 O2 O2 . O . . N -1 . . . 1 no no . . . . 30.404 . 24.896 . 12.647 . 0.000 1.288 -0.911 3 . 18977 PO4 O3 O3 O3 O3 . O . . N -1 . . . 1 no no . . . . 29.646 . 22.518 . 12.126 . -1.288 0.000 0.911 4 . 18977 PO4 O4 O4 O4 O4 . O . . N -1 . . . 1 no no . . . . 28.727 . 23.744 . 14.161 . 1.288 0.000 0.911 5 . 18977 PO4 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 P O1 no N 1 . 18977 PO4 2 . SING P O2 no N 2 . 18977 PO4 3 . SING P O3 no N 3 . 18977 PO4 4 . SING P O4 no N 4 . 18977 PO4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18977 _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 TpbA '[U-99% 15N]' . . 1 $TpbA . . 1 . . mM . . . . 18977 1 2 Phosphate 'natural abundance' . . 2 $entity_PO4 . . 320 . . mM . . . . 18977 1 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 18977 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18977 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18977 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18977 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18977 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18977 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TpbA '[U-99% 13C; U-99% 15N]' . . 1 $TpbA . . 1 . . mM . . . . 18977 2 2 Phosphate 'natural abundance' . . 2 $entity_PO4 . . 320 . . mM . . . . 18977 2 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 18977 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18977 2 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18977 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18977 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18977 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18977 _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 'ionic strength' 0.43 . M 18977 1 pH 7.8 . pH 18977 1 pressure 1 . atm 18977 1 temperature 298 . K 18977 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18977 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18977 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18977 1 processing 18977 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18977 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18977 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18977 2 'peak picking' 18977 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18977 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18977 _NMR_spectrometer.ID 2 _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 18977 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 18977 1 2 spectrometer_2 Bruker Avance . 800 . . . 18977 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 18977 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18977 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18977 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18977 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18977 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18977 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18977 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 18977 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18977 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18977 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18977 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 18977 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18977 1 2 '3D CBCA(CO)NH' . . . 18977 1 3 '3D HNCA' . . . 18977 1 4 '3D HNCACB' . . . 18977 1 5 '3D HBHA(CO)NH' . . . 18977 1 6 '3D 1H-15N NOESY' . . . 18977 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 4 4 ALA H H 1 8.359 0.006 . 1 . . . . 4 Ala H . 18977 1 2 . 1 1 4 4 ALA HA H 1 4.217 0.006 . 1 . . . . 4 Ala HA . 18977 1 3 . 1 1 4 4 ALA HB1 H 1 1.323 0.006 . 2 . . . . 4 Ala HB . 18977 1 4 . 1 1 4 4 ALA HB2 H 1 1.323 0.006 . 2 . . . . 4 Ala HB . 18977 1 5 . 1 1 4 4 ALA HB3 H 1 1.323 0.006 . 2 . . . . 4 Ala HB . 18977 1 6 . 1 1 4 4 ALA CA C 13 52.581 0.210 . 1 . . . . 4 Ala CA . 18977 1 7 . 1 1 4 4 ALA CB C 13 19.217 0.210 . 1 . . . . 4 Ala CB . 18977 1 8 . 1 1 4 4 ALA N N 15 125.647 0.120 . 1 . . . . 4 Ala N . 18977 1 9 . 1 1 5 5 GLU H H 1 8.405 0.006 . 1 . . . . 5 Glu H . 18977 1 10 . 1 1 5 5 GLU HA H 1 4.233 0.006 . 2 . . . . 5 Glu HA . 18977 1 11 . 1 1 5 5 GLU HB2 H 1 1.978 0.006 . 2 . . . . 5 Glu HB2 . 18977 1 12 . 1 1 5 5 GLU HB3 H 1 1.911 0.006 . 2 . . . . 5 Glu HB3 . 18977 1 13 . 1 1 5 5 GLU CA C 13 56.674 0.210 . 1 . . . . 5 Glu CA . 18977 1 14 . 1 1 5 5 GLU CB C 13 30.240 0.210 . 1 . . . . 5 Glu CB . 18977 1 15 . 1 1 5 5 GLU N N 15 120.425 0.120 . 1 . . . . 5 Glu N . 18977 1 16 . 1 1 6 6 THR H H 1 8.086 0.006 . 1 . . . . 6 Thr H . 18977 1 17 . 1 1 6 6 THR HA H 1 4.136 0.006 . 1 . . . . 6 Thr HA . 18977 1 18 . 1 1 6 6 THR HB H 1 4.188 0.006 . 1 . . . . 6 Thr HB . 18977 1 19 . 1 1 6 6 THR CA C 13 61.744 0.210 . 1 . . . . 6 Thr CA . 18977 1 20 . 1 1 6 6 THR CB C 13 69.794 0.210 . 1 . . . . 6 Thr CB . 18977 1 21 . 1 1 6 6 THR N N 15 115.205 0.120 . 1 . . . . 6 Thr N . 18977 1 22 . 1 1 7 7 ALA H H 1 8.220 0.006 . 1 . . . . 7 Ala H . 18977 1 23 . 1 1 7 7 ALA HA H 1 4.248 0.006 . 1 . . . . 7 Ala HA . 18977 1 24 . 1 1 7 7 ALA HB1 H 1 1.293 0.006 . 2 . . . . 7 Ala HB . 18977 1 25 . 1 1 7 7 ALA HB2 H 1 1.293 0.006 . 2 . . . . 7 Ala HB . 18977 1 26 . 1 1 7 7 ALA HB3 H 1 1.293 0.006 . 2 . . . . 7 Ala HB . 18977 1 27 . 1 1 7 7 ALA CA C 13 52.120 0.210 . 1 . . . . 7 Ala CA . 18977 1 28 . 1 1 7 7 ALA CB C 13 19.332 0.210 . 1 . . . . 7 Ala CB . 18977 1 29 . 1 1 7 7 ALA N N 15 126.898 0.120 . 1 . . . . 7 Ala N . 18977 1 30 . 1 1 8 8 ALA H H 1 8.187 0.006 . 1 . . . . 8 Ala H . 18977 1 31 . 1 1 8 8 ALA CA C 13 50.331 0.210 . 1 . . . . 8 Ala CA . 18977 1 32 . 1 1 8 8 ALA CB C 13 17.954 0.210 . 1 . . . . 8 Ala CB . 18977 1 33 . 1 1 8 8 ALA N N 15 125.095 0.120 . 1 . . . . 8 Ala N . 18977 1 34 . 1 1 10 10 ARG H H 1 8.278 0.006 . 1 . . . . 10 Arg H . 18977 1 35 . 1 1 10 10 ARG HA H 1 3.764 0.006 . 1 . . . . 10 Arg HA . 18977 1 36 . 1 1 10 10 ARG HB2 H 1 1.554 0.006 . 2 . . . . 10 Arg HB . 18977 1 37 . 1 1 10 10 ARG HB3 H 1 1.554 0.006 . 2 . . . . 10 Arg HB . 18977 1 38 . 1 1 10 10 ARG CA C 13 55.915 0.210 . 1 . . . . 10 Arg CA . 18977 1 39 . 1 1 10 10 ARG CB C 13 31.101 0.210 . 1 . . . . 10 Arg CB . 18977 1 40 . 1 1 10 10 ARG N N 15 123.195 0.120 . 1 . . . . 10 Arg N . 18977 1 41 . 1 1 11 11 SER H H 1 6.926 0.006 . 1 . . . . 11 Ser H . 18977 1 42 . 1 1 11 11 SER CA C 13 55.400 0.210 . 1 . . . . 11 Ser CA . 18977 1 43 . 1 1 11 11 SER CB C 13 62.503 0.210 . 1 . . . . 11 Ser CB . 18977 1 44 . 1 1 11 11 SER N N 15 120.011 0.120 . 1 . . . . 11 Ser N . 18977 1 45 . 1 1 13 13 ALA H H 1 7.787 0.006 . 1 . . . . 13 Ala H . 18977 1 46 . 1 1 13 13 ALA HA H 1 4.337 0.006 . 1 . . . . 13 Ala HA . 18977 1 47 . 1 1 13 13 ALA HB1 H 1 1.286 0.006 . 2 . . . . 13 Ala HB . 18977 1 48 . 1 1 13 13 ALA HB2 H 1 1.286 0.006 . 2 . . . . 13 Ala HB . 18977 1 49 . 1 1 13 13 ALA HB3 H 1 1.286 0.006 . 2 . . . . 13 Ala HB . 18977 1 50 . 1 1 13 13 ALA CA C 13 52.445 0.210 . 1 . . . . 13 Ala CA . 18977 1 51 . 1 1 13 13 ALA CB C 13 19.045 0.210 . 1 . . . . 13 Ala CB . 18977 1 52 . 1 1 13 13 ALA N N 15 119.452 0.120 . 1 . . . . 13 Ala N . 18977 1 53 . 1 1 14 14 TRP H H 1 7.421 0.006 . 1 . . . . 14 Trp H . 18977 1 54 . 1 1 14 14 TRP HA H 1 5.193 0.006 . 1 . . . . 14 Trp HA . 18977 1 55 . 1 1 14 14 TRP HB2 H 1 3.489 0.006 . 2 . . . . 14 Trp HB . 18977 1 56 . 1 1 14 14 TRP HB3 H 1 3.489 0.006 . 2 . . . . 14 Trp HB . 18977 1 57 . 1 1 14 14 TRP CA C 13 55.075 0.210 . 1 . . . . 14 Trp CA . 18977 1 58 . 1 1 14 14 TRP CB C 13 30.412 0.210 . 1 . . . . 14 Trp CB . 18977 1 59 . 1 1 14 14 TRP N N 15 116.847 0.120 . 1 . . . . 14 Trp N . 18977 1 60 . 1 1 15 15 ALA H H 1 9.112 0.006 . 1 . . . . 15 Ala H . 18977 1 61 . 1 1 15 15 ALA HA H 1 4.679 0.006 . 1 . . . . 15 Ala HA . 18977 1 62 . 1 1 15 15 ALA HB1 H 1 1.301 0.006 . 2 . . . . 15 Ala HB . 18977 1 63 . 1 1 15 15 ALA HB2 H 1 1.301 0.006 . 2 . . . . 15 Ala HB . 18977 1 64 . 1 1 15 15 ALA HB3 H 1 1.301 0.006 . 2 . . . . 15 Ala HB . 18977 1 65 . 1 1 15 15 ALA CA C 13 52.445 0.210 . 1 . . . . 15 Ala CA . 18977 1 66 . 1 1 15 15 ALA CB C 13 19.045 0.210 . 1 . . . . 15 Ala CB . 18977 1 67 . 1 1 15 15 ALA N N 15 122.780 0.120 . 1 . . . . 15 Ala N . 18977 1 68 . 1 1 16 16 GLN H H 1 8.329 0.006 . 1 . . . . 16 Gln H . 18977 1 69 . 1 1 16 16 GLN HA H 1 4.731 0.006 . 1 . . . . 16 Gln HA . 18977 1 70 . 1 1 16 16 GLN HB2 H 1 2.142 0.006 . 2 . . . . 16 Gln HB2 . 18977 1 71 . 1 1 16 16 GLN HB3 H 1 2.038 0.006 . 2 . . . . 16 Gln HB3 . 18977 1 72 . 1 1 16 16 GLN CA C 13 54.581 0.210 . 1 . . . . 16 Gln CA . 18977 1 73 . 1 1 16 16 GLN CB C 13 31.158 0.210 . 1 . . . . 16 Gln CB . 18977 1 74 . 1 1 16 16 GLN N N 15 121.384 0.120 . 1 . . . . 16 Gln N . 18977 1 75 . 1 1 17 17 ALA H H 1 9.310 0.006 . 1 . . . . 17 Ala H . 18977 1 76 . 1 1 17 17 ALA HA H 1 2.897 0.006 . 1 . . . . 17 Ala HA . 18977 1 77 . 1 1 17 17 ALA HB1 H 1 0.966 0.006 . 2 . . . . 17 Ala HB . 18977 1 78 . 1 1 17 17 ALA HB2 H 1 0.966 0.006 . 2 . . . . 17 Ala HB . 18977 1 79 . 1 1 17 17 ALA HB3 H 1 0.966 0.006 . 2 . . . . 17 Ala HB . 18977 1 80 . 1 1 17 17 ALA CA C 13 54.289 0.210 . 1 . . . . 17 Ala CA . 18977 1 81 . 1 1 17 17 ALA CB C 13 18.299 0.210 . 1 . . . . 17 Ala CB . 18977 1 82 . 1 1 17 17 ALA N N 15 129.246 0.120 . 1 . . . . 17 Ala N . 18977 1 83 . 1 1 18 18 VAL H H 1 8.292 0.006 . 1 . . . . 18 Val H . 18977 1 84 . 1 1 18 18 VAL HA H 1 4.106 0.006 . 1 . . . . 18 Val HA . 18977 1 85 . 1 1 18 18 VAL HB H 1 1.561 0.006 . 1 . . . . 18 Val HB . 18977 1 86 . 1 1 18 18 VAL CA C 13 63.614 0.210 . 1 . . . . 18 Val CA . 18977 1 87 . 1 1 18 18 VAL CB C 13 34.316 0.210 . 1 . . . . 18 Val CB . 18977 1 88 . 1 1 18 18 VAL N N 15 121.602 0.120 . 1 . . . . 18 Val N . 18977 1 89 . 1 1 19 19 ASP H H 1 7.402 0.006 . 1 . . . . 19 Asp H . 18977 1 90 . 1 1 19 19 ASP CA C 13 51.551 0.210 . 1 . . . . 19 Asp CA . 18977 1 91 . 1 1 19 19 ASP CB C 13 42.295 0.210 . 1 . . . . 19 Asp CB . 18977 1 92 . 1 1 19 19 ASP N N 15 112.378 0.120 . 1 . . . . 19 Asp N . 18977 1 93 . 1 1 21 21 SER H H 1 8.396 0.006 . 1 . . . . 21 Ser H . 18977 1 94 . 1 1 21 21 SER CA C 13 62.232 0.210 . 1 . . . . 21 Ser CA . 18977 1 95 . 1 1 21 21 SER N N 15 116.857 0.120 . 1 . . . . 21 Ser N . 18977 1 96 . 1 1 22 22 ILE H H 1 6.582 0.006 . 1 . . . . 22 Ile H . 18977 1 97 . 1 1 22 22 ILE HA H 1 4.449 0.006 . 1 . . . . 22 Ile HA . 18977 1 98 . 1 1 22 22 ILE CA C 13 60.813 0.210 . 1 . . . . 22 Ile CA . 18977 1 99 . 1 1 22 22 ILE CB C 13 37.301 0.210 . 1 . . . . 22 Ile CB . 18977 1 100 . 1 1 22 22 ILE N N 15 112.321 0.120 . 1 . . . . 22 Ile N . 18977 1 101 . 1 1 23 23 ASN H H 1 7.820 0.006 . 1 . . . . 23 Asn H . 18977 1 102 . 1 1 23 23 ASN HA H 1 4.032 0.006 . 1 . . . . 23 Asn HA . 18977 1 103 . 1 1 23 23 ASN HB2 H 1 1.971 0.006 . 2 . . . . 23 Asn HB . 18977 1 104 . 1 1 23 23 ASN HB3 H 1 1.971 0.006 . 2 . . . . 23 Asn HB . 18977 1 105 . 1 1 23 23 ASN CA C 13 52.662 0.210 . 1 . . . . 23 Asn CA . 18977 1 106 . 1 1 23 23 ASN CB C 13 39.999 0.210 . 1 . . . . 23 Asn CB . 18977 1 107 . 1 1 23 23 ASN N N 15 123.302 0.120 . 1 . . . . 23 Asn N . 18977 1 108 . 1 1 24 24 LEU H H 1 7.917 0.006 . 1 . . . . 24 Leu H . 18977 1 109 . 1 1 24 24 LEU HA H 1 5.587 0.006 . 1 . . . . 24 Leu HA . 18977 1 110 . 1 1 24 24 LEU HB2 H 1 1.346 0.006 . 2 . . . . 24 Leu HB . 18977 1 111 . 1 1 24 24 LEU HB3 H 1 1.346 0.006 . 2 . . . . 24 Leu HB . 18977 1 112 . 1 1 24 24 LEU CA C 13 54.939 0.210 . 1 . . . . 24 Leu CA . 18977 1 113 . 1 1 24 24 LEU CB C 13 43.042 0.210 . 1 . . . . 24 Leu CB . 18977 1 114 . 1 1 24 24 LEU N N 15 117.670 0.120 . 1 . . . . 24 Leu N . 18977 1 115 . 1 1 25 25 TYR H H 1 9.821 0.006 . 1 . . . . 25 Tyr H . 18977 1 116 . 1 1 25 25 TYR HA H 1 5.223 0.006 . 1 . . . . 25 Tyr HA . 18977 1 117 . 1 1 25 25 TYR HB2 H 1 2.596 0.006 . 2 . . . . 25 Tyr HB . 18977 1 118 . 1 1 25 25 TYR HB3 H 1 2.596 0.006 . 2 . . . . 25 Tyr HB . 18977 1 119 . 1 1 25 25 TYR CA C 13 56.214 0.210 . 1 . . . . 25 Tyr CA . 18977 1 120 . 1 1 25 25 TYR CB C 13 43.673 0.210 . 1 . . . . 25 Tyr CB . 18977 1 121 . 1 1 25 25 TYR N N 15 128.398 0.120 . 1 . . . . 25 Tyr N . 18977 1 122 . 1 1 26 26 ARG H H 1 9.761 0.006 . 1 . . . . 26 Arg H . 18977 1 123 . 1 1 26 26 ARG HA H 1 4.099 0.006 . 1 . . . . 26 Arg HA . 18977 1 124 . 1 1 26 26 ARG HB2 H 1 1.740 0.006 . 2 . . . . 26 Arg HB2 . 18977 1 125 . 1 1 26 26 ARG HB3 H 1 1.517 0.006 . 2 . . . . 26 Arg HB3 . 18977 1 126 . 1 1 26 26 ARG CA C 13 55.807 0.210 . 1 . . . . 26 Arg CA . 18977 1 127 . 1 1 26 26 ARG CB C 13 32.995 0.210 . 1 . . . . 26 Arg CB . 18977 1 128 . 1 1 26 26 ARG N N 15 122.915 0.120 . 1 . . . . 26 Arg N . 18977 1 129 . 1 1 27 27 MET H H 1 9.284 0.006 . 1 . . . . 27 Met H . 18977 1 130 . 1 1 27 27 MET HA H 1 4.330 0.006 . 1 . . . . 27 Met HA . 18977 1 131 . 1 1 27 27 MET HB2 H 1 1.993 0.006 . 1 . . . . 27 Met HB2 . 18977 1 132 . 1 1 27 27 MET HB3 H 1 1.502 0.006 . 2 . . . . 27 Met HB3 . 18977 1 133 . 1 1 27 27 MET CA C 13 57.596 0.210 . 2 . . . . 27 Met CA . 18977 1 134 . 1 1 27 27 MET CB C 13 34.086 0.210 . 1 . . . . 27 Met CB . 18977 1 135 . 1 1 27 27 MET N N 15 127.479 0.120 . 1 . . . . 27 Met N . 18977 1 136 . 1 1 28 28 SER H H 1 8.669 0.006 . 1 . . . . 28 Ser H . 18977 1 137 . 1 1 28 28 SER CA C 13 56.647 0.210 . 1 . . . . 28 Ser CA . 18977 1 138 . 1 1 28 28 SER CB C 13 62.962 0.210 . 1 . . . . 28 Ser CB . 18977 1 139 . 1 1 28 28 SER N N 15 119.995 0.120 . 1 . . . . 28 Ser N . 18977 1 140 . 1 1 30 30 THR H H 1 7.867 0.006 . 1 . . . . 30 Thr H . 18977 1 141 . 1 1 30 30 THR HA H 1 4.746 0.006 . 1 . . . . 30 Thr HA . 18977 1 142 . 1 1 30 30 THR HB H 1 4.456 0.006 . 1 . . . . 30 Thr HB . 18977 1 143 . 1 1 30 30 THR CA C 13 60.036 0.210 . 1 . . . . 30 Thr CA . 18977 1 144 . 1 1 30 30 THR CB C 13 69.041 0.210 . 1 . . . . 30 Thr CB . 18977 1 145 . 1 1 30 30 THR N N 15 102.282 0.120 . 1 . . . . 30 Thr N . 18977 1 146 . 1 1 31 31 LEU H H 1 7.438 0.006 . 1 . . . . 31 Leu H . 18977 1 147 . 1 1 31 31 LEU HA H 1 5.334 0.006 . 1 . . . . 31 Leu HA . 18977 1 148 . 1 1 31 31 LEU CA C 13 55.617 0.210 . 1 . . . . 31 Leu CA . 18977 1 149 . 1 1 31 31 LEU CB C 13 44.936 0.210 . 1 . . . . 31 Leu CB . 18977 1 150 . 1 1 31 31 LEU N N 15 125.975 0.120 . 1 . . . . 31 Leu N . 18977 1 151 . 1 1 32 32 TYR H H 1 9.304 0.006 . 1 . . . . 32 Tyr H . 18977 1 152 . 1 1 32 32 TYR HA H 1 5.096 0.006 . 1 . . . . 32 Tyr HA . 18977 1 153 . 1 1 32 32 TYR HB2 H 1 2.886 0.006 . 2 . . . . 32 Tyr HB2 . 18977 1 154 . 1 1 32 32 TYR HB3 H 1 2.707 0.006 . 2 . . . . 32 Tyr HB3 . 18977 1 155 . 1 1 32 32 TYR CA C 13 56.403 0.210 . 1 . . . . 32 Tyr CA . 18977 1 156 . 1 1 32 32 TYR CB C 13 42.582 0.210 . 1 . . . . 32 Tyr CB . 18977 1 157 . 1 1 32 32 TYR N N 15 126.549 0.120 . 1 . . . . 32 Tyr N . 18977 1 158 . 1 1 33 33 ARG H H 1 9.046 0.006 . 1 . . . . 33 Arg H . 18977 1 159 . 1 1 33 33 ARG HA H 1 5.989 0.006 . 1 . . . . 33 Arg HA . 18977 1 160 . 1 1 33 33 ARG HB2 H 1 1.986 0.006 . 2 . . . . 33 Arg HB2 . 18977 1 161 . 1 1 33 33 ARG HB3 H 1 1.279 0.006 . 2 . . . . 33 Arg HB3 . 18977 1 162 . 1 1 33 33 ARG CA C 13 52.310 0.210 . 1 . . . . 33 Arg CA . 18977 1 163 . 1 1 33 33 ARG CB C 13 34.258 0.210 . 1 . . . . 33 Arg CB . 18977 1 164 . 1 1 33 33 ARG N N 15 116.772 0.120 . 1 . . . . 33 Arg N . 18977 1 165 . 1 1 34 34 SER H H 1 8.804 0.006 . 1 . . . . 34 Ser H . 18977 1 166 . 1 1 34 34 SER HA H 1 3.749 0.006 . 1 . . . . 34 Ser HA . 18977 1 167 . 1 1 34 34 SER HB2 H 1 5.453 0.006 . 2 . . . . 34 Ser HB . 18977 1 168 . 1 1 34 34 SER HB3 H 1 5.453 0.006 . 2 . . . . 34 Ser HB . 18977 1 169 . 1 1 34 34 SER CA C 13 59.819 0.210 . 1 . . . . 34 Ser CA . 18977 1 170 . 1 1 34 34 SER CB C 13 67.670 0.210 . 1 . . . . 34 Ser CB . 18977 1 171 . 1 1 34 34 SER N N 15 116.116 0.120 . 1 . . . . 34 Ser N . 18977 1 172 . 1 1 35 35 ALA H H 1 7.947 0.006 . 1 . . . . 35 Ala H . 18977 1 173 . 1 1 35 35 ALA HA H 1 3.928 0.006 . 1 . . . . 35 Ala HA . 18977 1 174 . 1 1 35 35 ALA HB1 H 1 1.241 0.006 . 2 . . . . 35 Ala HB . 18977 1 175 . 1 1 35 35 ALA HB2 H 1 1.241 0.006 . 2 . . . . 35 Ala HB . 18977 1 176 . 1 1 35 35 ALA HB3 H 1 1.241 0.006 . 2 . . . . 35 Ala HB . 18977 1 177 . 1 1 35 35 ALA CA C 13 51.225 0.210 . 1 . . . . 35 Ala CA . 18977 1 178 . 1 1 35 35 ALA CB C 13 19.734 0.210 . 1 . . . . 35 Ala CB . 18977 1 179 . 1 1 35 35 ALA N N 15 115.456 0.120 . 1 . . . . 35 Ala N . 18977 1 180 . 1 1 36 36 LEU H H 1 7.222 0.006 . 1 . . . . 36 Leu H . 18977 1 181 . 1 1 36 36 LEU CA C 13 54.235 0.210 . 1 . . . . 36 Leu CA . 18977 1 182 . 1 1 36 36 LEU CB C 13 43.616 0.210 . 1 . . . . 36 Leu CB . 18977 1 183 . 1 1 36 36 LEU N N 15 122.792 0.120 . 1 . . . . 36 Leu N . 18977 1 184 . 1 1 38 38 ASN H H 1 6.683 0.006 . 1 . . . . 38 Asn H . 18977 1 185 . 1 1 38 38 ASN HA H 1 4.211 0.006 . 1 . . . . 38 Asn HA . 18977 1 186 . 1 1 38 38 ASN HB2 H 1 2.849 0.006 . 2 . . . . 38 Asn HB2 . 18977 1 187 . 1 1 38 38 ASN HB3 H 1 2.544 0.006 . 2 . . . . 38 Asn HB3 . 18977 1 188 . 1 1 38 38 ASN CA C 13 50.620 0.210 . 1 . . . . 38 Asn CA . 18977 1 189 . 1 1 38 38 ASN CB C 13 40.688 0.210 . 1 . . . . 38 Asn CB . 18977 1 190 . 1 1 38 38 ASN N N 15 108.893 0.120 . 1 . . . . 38 Asn N . 18977 1 191 . 1 1 39 39 ALA H H 1 8.940 0.006 . 1 . . . . 39 Ala H . 18977 1 192 . 1 1 39 39 ALA HA H 1 4.553 0.006 . 1 . . . . 39 Ala HA . 18977 1 193 . 1 1 39 39 ALA HB1 H 1 1.561 0.006 . 2 . . . . 39 Ala HB . 18977 1 194 . 1 1 39 39 ALA HB2 H 1 1.561 0.006 . 2 . . . . 39 Ala HB . 18977 1 195 . 1 1 39 39 ALA HB3 H 1 1.561 0.006 . 2 . . . . 39 Ala HB . 18977 1 196 . 1 1 39 39 ALA CA C 13 55.270 0.210 . 1 . . . . 39 Ala CA . 18977 1 197 . 1 1 39 39 ALA CB C 13 18.471 0.210 . 1 . . . . 39 Ala CB . 18977 1 198 . 1 1 39 39 ALA N N 15 121.505 0.120 . 1 . . . . 39 Ala N . 18977 1 199 . 1 1 40 40 GLN H H 1 8.488 0.006 . 1 . . . . 40 Gln H . 18977 1 200 . 1 1 40 40 GLN HA H 1 4.211 0.006 . 1 . . . . 40 Gln HA . 18977 1 201 . 1 1 40 40 GLN HB2 H 1 2.134 0.006 . 2 . . . . 40 Gln HB . 18977 1 202 . 1 1 40 40 GLN HB3 H 1 2.134 0.006 . 2 . . . . 40 Gln HB . 18977 1 203 . 1 1 40 40 GLN CA C 13 57.921 0.210 . 1 . . . . 40 Gln CA . 18977 1 204 . 1 1 40 40 GLN CB C 13 27.771 0.210 . 1 . . . . 40 Gln CB . 18977 1 205 . 1 1 40 40 GLN N N 15 116.258 0.120 . 1 . . . . 40 Gln N . 18977 1 206 . 1 1 41 41 SER H H 1 8.074 0.006 . 1 . . . . 41 Ser H . 18977 1 207 . 1 1 41 41 SER HA H 1 4.397 0.006 . 1 . . . . 41 Ser HA . 18977 1 208 . 1 1 41 41 SER HB2 H 1 3.623 0.006 . 2 . . . . 41 Ser HB . 18977 1 209 . 1 1 41 41 SER HB3 H 1 3.623 0.006 . 2 . . . . 41 Ser HB . 18977 1 210 . 1 1 41 41 SER CA C 13 59.006 0.210 . 1 . . . . 41 Ser CA . 18977 1 211 . 1 1 41 41 SER CB C 13 62.905 0.210 . 1 . . . . 41 Ser CB . 18977 1 212 . 1 1 41 41 SER N N 15 114.773 0.120 . 1 . . . . 41 Ser N . 18977 1 213 . 1 1 42 42 VAL H H 1 7.312 0.006 . 1 . . . . 42 Val H . 18977 1 214 . 1 1 42 42 VAL HA H 1 3.273 0.006 . 1 . . . . 42 Val HA . 18977 1 215 . 1 1 42 42 VAL HB H 1 2.142 0.006 . 1 . . . . 42 Val HB . 18977 1 216 . 1 1 42 42 VAL CA C 13 68.223 0.210 . 1 . . . . 42 Val CA . 18977 1 217 . 1 1 42 42 VAL CB C 13 31.330 0.210 . 1 . . . . 42 Val CB . 18977 1 218 . 1 1 42 42 VAL N N 15 119.824 0.120 . 1 . . . . 42 Val N . 18977 1 219 . 1 1 43 43 ALA H H 1 8.236 0.006 . 1 . . . . 43 Ala H . 18977 1 220 . 1 1 43 43 ALA HA H 1 4.084 0.006 . 1 . . . . 43 Ala HA . 18977 1 221 . 1 1 43 43 ALA HB1 H 1 1.360 0.006 . 2 . . . . 43 Ala HB . 18977 1 222 . 1 1 43 43 ALA HB2 H 1 1.360 0.006 . 2 . . . . 43 Ala HB . 18977 1 223 . 1 1 43 43 ALA HB3 H 1 1.360 0.006 . 2 . . . . 43 Ala HB . 18977 1 224 . 1 1 43 43 ALA CA C 13 55.292 0.210 . 1 . . . . 43 Ala CA . 18977 1 225 . 1 1 43 43 ALA CB C 13 17.610 0.210 . 1 . . . . 43 Ala CB . 18977 1 226 . 1 1 43 43 ALA N N 15 121.240 0.120 . 1 . . . . 43 Ala N . 18977 1 227 . 1 1 44 44 LEU H H 1 7.452 0.006 . 1 . . . . 44 Leu H . 18977 1 228 . 1 1 44 44 LEU HA H 1 4.017 0.006 . 1 . . . . 44 Leu HA . 18977 1 229 . 1 1 44 44 LEU HB2 H 1 1.547 0.006 . 2 . . . . 44 Leu HB . 18977 1 230 . 1 1 44 44 LEU HB3 H 1 1.547 0.006 . 2 . . . . 44 Leu HB . 18977 1 231 . 1 1 44 44 LEU CA C 13 57.786 0.210 . 1 . . . . 44 Leu CA . 18977 1 232 . 1 1 44 44 LEU CB C 13 41.090 0.210 . 1 . . . . 44 Leu CB . 18977 1 233 . 1 1 44 44 LEU N N 15 120.712 0.120 . 1 . . . . 44 Leu N . 18977 1 234 . 1 1 45 45 LEU H H 1 7.936 0.006 . 1 . . . . 45 Leu H . 18977 1 235 . 1 1 45 45 LEU HA H 1 3.548 0.006 . 1 . . . . 45 Leu HA . 18977 1 236 . 1 1 45 45 LEU HB2 H 1 1.822 0.006 . 2 . . . . 45 Leu HB2 . 18977 1 237 . 1 1 45 45 LEU HB3 H 1 1.122 0.006 . 2 . . . . 45 Leu HB3 . 18977 1 238 . 1 1 45 45 LEU CA C 13 58.545 0.210 . 1 . . . . 45 Leu CA . 18977 1 239 . 1 1 45 45 LEU CB C 13 40.171 0.210 . 1 . . . . 45 Leu CB . 18977 1 240 . 1 1 45 45 LEU N N 15 117.601 0.120 . 1 . . . . 45 Leu N . 18977 1 241 . 1 1 46 46 GLN H H 1 8.276 0.006 . 1 . . . . 46 Gln H . 18977 1 242 . 1 1 46 46 GLN HA H 1 4.062 0.006 . 1 . . . . 46 Gln HA . 18977 1 243 . 1 1 46 46 GLN HB2 H 1 2.127 0.006 . 2 . . . . 46 Gln HB2 . 18977 1 244 . 1 1 46 46 GLN HB3 H 1 2.008 0.006 . 2 . . . . 46 Gln HB3 . 18977 1 245 . 1 1 46 46 GLN CA C 13 59.114 0.210 . 1 . . . . 46 Gln CA . 18977 1 246 . 1 1 46 46 GLN CB C 13 28.403 0.210 . 1 . . . . 46 Gln CB . 18977 1 247 . 1 1 46 46 GLN N N 15 117.110 0.120 . 1 . . . . 46 Gln N . 18977 1 248 . 1 1 47 47 ARG H H 1 7.930 0.006 . 1 . . . . 47 Arg H . 18977 1 249 . 1 1 47 47 ARG HA H 1 3.511 0.006 . 1 . . . . 47 Arg HA . 18977 1 250 . 1 1 47 47 ARG HB2 H 1 2.559 0.006 . 2 . . . . 47 Arg HB . 18977 1 251 . 1 1 47 47 ARG HB3 H 1 2.559 0.006 . 2 . . . . 47 Arg HB . 18977 1 252 . 1 1 47 47 ARG CA C 13 59.684 0.210 . 1 . . . . 47 Arg CA . 18977 1 253 . 1 1 47 47 ARG CB C 13 29.895 0.210 . 1 . . . . 47 Arg CB . 18977 1 254 . 1 1 47 47 ARG N N 15 123.823 0.120 . 1 . . . . 47 Arg N . 18977 1 255 . 1 1 48 48 LEU H H 1 7.900 0.006 . 1 . . . . 48 Leu H . 18977 1 256 . 1 1 48 48 LEU HA H 1 4.069 0.006 . 1 . . . . 48 Leu HA . 18977 1 257 . 1 1 48 48 LEU HB2 H 1 1.435 0.006 . 2 . . . . 48 Leu HB2 . 18977 1 258 . 1 1 48 48 LEU HB3 H 1 1.130 0.006 . 2 . . . . 48 Leu HB3 . 18977 1 259 . 1 1 48 48 LEU CA C 13 55.075 0.210 . 1 . . . . 48 Leu CA . 18977 1 260 . 1 1 48 48 LEU CB C 13 41.747 0.210 . 1 . . . . 48 Leu CB . 18977 1 261 . 1 1 48 48 LEU N N 15 117.774 0.120 . 1 . . . . 48 Leu N . 18977 1 262 . 1 1 49 49 GLN H H 1 7.599 0.006 . 1 . . . . 49 Gln H . 18977 1 263 . 1 1 49 49 GLN HA H 1 3.712 0.006 . 1 . . . . 49 Gln HA . 18977 1 264 . 1 1 49 49 GLN HB2 H 1 2.343 0.006 . 2 . . . . 49 Gln HB2 . 18977 1 265 . 1 1 49 49 GLN HB3 H 1 2.216 0.006 . 2 . . . . 49 Gln HB3 . 18977 1 266 . 1 1 49 49 GLN CA C 13 56.214 0.210 . 1 . . . . 49 Gln CA . 18977 1 267 . 1 1 49 49 GLN CB C 13 25.590 0.210 . 1 . . . . 49 Gln CB . 18977 1 268 . 1 1 49 49 GLN N N 15 112.082 0.120 . 1 . . . . 49 Gln N . 18977 1 269 . 1 1 50 50 VAL H H 1 7.380 0.006 . 1 . . . . 50 Val H . 18977 1 270 . 1 1 50 50 VAL HA H 1 3.325 0.006 . 1 . . . . 50 Val HA . 18977 1 271 . 1 1 50 50 VAL HB H 1 1.509 0.006 . 1 . . . . 50 Val HB . 18977 1 272 . 1 1 50 50 VAL CA C 13 64.672 0.210 . 1 . . . . 50 Val CA . 18977 1 273 . 1 1 50 50 VAL CB C 13 31.790 0.210 . 1 . . . . 50 Val CB . 18977 1 274 . 1 1 50 50 VAL N N 15 115.597 0.120 . 1 . . . . 50 Val N . 18977 1 275 . 1 1 51 51 LYS H H 1 8.339 0.006 . 1 . . . . 51 Lys H . 18977 1 276 . 1 1 51 51 LYS HA H 1 4.538 0.006 . 1 . . . . 51 Lys HA . 18977 1 277 . 1 1 51 51 LYS HB2 H 1 1.837 0.006 . 2 . . . . 51 Lys HB . 18977 1 278 . 1 1 51 51 LYS HB3 H 1 1.837 0.006 . 2 . . . . 51 Lys HB . 18977 1 279 . 1 1 51 51 LYS CA C 13 55.427 0.210 . 1 . . . . 51 Lys CA . 18977 1 280 . 1 1 51 51 LYS CB C 13 34.143 0.210 . 1 . . . . 51 Lys CB . 18977 1 281 . 1 1 51 51 LYS N N 15 125.587 0.120 . 1 . . . . 51 Lys N . 18977 1 282 . 1 1 52 52 THR H H 1 7.257 0.006 . 1 . . . . 52 Thr H . 18977 1 283 . 1 1 52 52 THR HA H 1 3.660 0.006 . 1 . . . . 52 Thr HA . 18977 1 284 . 1 1 52 52 THR HB H 1 5.051 0.006 . 1 . . . . 52 Thr HB . 18977 1 285 . 1 1 52 52 THR CA C 13 61.608 0.210 . 1 . . . . 52 Thr CA . 18977 1 286 . 1 1 52 52 THR CB C 13 71.141 0.210 . 1 . . . . 52 Thr CB . 18977 1 287 . 1 1 52 52 THR N N 15 115.673 0.120 . 1 . . . . 52 Thr N . 18977 1 288 . 1 1 53 53 VAL H H 1 9.096 0.006 . 1 . . . . 53 Val H . 18977 1 289 . 1 1 53 53 VAL HA H 1 4.932 0.006 . 1 . . . . 53 Val HA . 18977 1 290 . 1 1 53 53 VAL HB H 1 1.762 0.006 . 1 . . . . 53 Val HB . 18977 1 291 . 1 1 53 53 VAL CA C 13 60.415 0.210 . 1 . . . . 53 Val CA . 18977 1 292 . 1 1 53 53 VAL CB C 13 33.856 0.210 . 1 . . . . 53 Val CB . 18977 1 293 . 1 1 53 53 VAL N N 15 126.467 0.120 . 1 . . . . 53 Val N . 18977 1 294 . 1 1 54 54 VAL H H 1 9.564 0.006 . 1 . . . . 54 Val H . 18977 1 295 . 1 1 54 54 VAL HA H 1 4.598 0.006 . 1 . . . . 54 Val HA . 18977 1 296 . 1 1 54 54 VAL HB H 1 1.398 0.006 . 1 . . . . 54 Val HB . 18977 1 297 . 1 1 54 54 VAL CA C 13 60.280 0.210 . 1 . . . . 54 Val CA . 18977 1 298 . 1 1 54 54 VAL CB C 13 33.397 0.210 . 1 . . . . 54 Val CB . 18977 1 299 . 1 1 54 54 VAL N N 15 130.372 0.120 . 1 . . . . 54 Val N . 18977 1 300 . 1 1 55 55 SER H H 1 8.102 0.006 . 1 . . . . 55 Ser H . 18977 1 301 . 1 1 55 55 SER CA C 13 54.018 0.210 . 1 . . . . 55 Ser CA . 18977 1 302 . 1 1 55 55 SER CB C 13 64.914 0.210 . 1 . . . . 55 Ser CB . 18977 1 303 . 1 1 55 55 SER N N 15 118.421 0.120 . 1 . . . . 55 Ser N . 18977 1 304 . 1 1 59 59 ASP H H 1 8.183 0.006 . 1 . . . . 59 Asp H . 18977 1 305 . 1 1 59 59 ASP CA C 13 54.925 0.210 . 1 . . . . 59 Asp CA . 18977 1 306 . 1 1 59 59 ASP CB C 13 39.482 0.210 . 1 . . . . 59 Asp CB . 18977 1 307 . 1 1 59 59 ASP N N 15 118.341 0.120 . 1 . . . . 59 Asp N . 18977 1 308 . 1 1 61 61 ASP H H 1 9.084 0.006 . 1 . . . . 61 Asp H . 18977 1 309 . 1 1 61 61 ASP N N 15 129.448 0.120 . 1 . . . . 61 Asp N . 18977 1 310 . 1 1 62 62 ARG H H 1 8.518 0.006 . 1 . . . . 62 Arg H . 18977 1 311 . 1 1 62 62 ARG CA C 13 58.409 0.210 . 1 . . . . 62 Arg CA . 18977 1 312 . 1 1 62 62 ARG CB C 13 28.173 0.210 . 1 . . . . 62 Arg CB . 18977 1 313 . 1 1 62 62 ARG N N 15 118.802 0.120 . 1 . . . . 62 Arg N . 18977 1 314 . 1 1 63 63 ALA H H 1 7.400 0.006 . 1 . . . . 63 Ala H . 18977 1 315 . 1 1 63 63 ALA HA H 1 4.657 0.006 . 1 . . . . 63 Ala HA . 18977 1 316 . 1 1 63 63 ALA HB1 H 1 1.494 0.006 . 2 . . . . 63 Ala HB . 18977 1 317 . 1 1 63 63 ALA HB2 H 1 1.494 0.006 . 2 . . . . 63 Ala HB . 18977 1 318 . 1 1 63 63 ALA HB3 H 1 1.494 0.006 . 2 . . . . 63 Ala HB . 18977 1 319 . 1 1 63 63 ALA CA C 13 55.400 0.210 . 1 . . . . 63 Ala CA . 18977 1 320 . 1 1 63 63 ALA CB C 13 18.701 0.210 . 1 . . . . 63 Ala CB . 18977 1 321 . 1 1 63 63 ALA N N 15 120.587 0.120 . 1 . . . . 63 Ala N . 18977 1 322 . 1 1 64 64 TRP H H 1 6.679 0.006 . 1 . . . . 64 Trp H . 18977 1 323 . 1 1 64 64 TRP CA C 13 53.774 0.210 . 1 . . . . 64 Trp CA . 18977 1 324 . 1 1 64 64 TRP N N 15 111.126 0.120 . 1 . . . . 64 Trp N . 18977 1 325 . 1 1 65 65 LEU H H 1 6.997 0.006 . 1 . . . . 65 Leu H . 18977 1 326 . 1 1 65 65 LEU HA H 1 3.481 0.006 . 1 . . . . 65 Leu HA . 18977 1 327 . 1 1 65 65 LEU HB2 H 1 0.832 0.006 . 2 . . . . 65 Leu HB2 . 18977 1 328 . 1 1 65 65 LEU HB3 H 1 0.668 0.006 . 2 . . . . 65 Leu HB3 . 18977 1 329 . 1 1 65 65 LEU CA C 13 56.423 0.210 . 1 . . . . 65 Leu CA . 18977 1 330 . 1 1 65 65 LEU N N 15 123.460 0.120 . 1 . . . . 65 Leu N . 18977 1 331 . 1 1 66 66 GLY H H 1 7.605 0.006 . 1 . . . . 66 Gly H . 18977 1 332 . 1 1 66 66 GLY CA C 13 46.698 0.210 . 1 . . . . 66 Gly CA . 18977 1 333 . 1 1 66 66 GLY N N 15 106.526 0.120 . 1 . . . . 66 Gly N . 18977 1 334 . 1 1 68 68 ALA H H 1 7.378 0.006 . 1 . . . . 68 Ala H . 18977 1 335 . 1 1 68 68 ALA CA C 13 51.090 0.210 . 1 . . . . 68 Ala CA . 18977 1 336 . 1 1 68 68 ALA CB C 13 17.897 0.210 . 1 . . . . 68 Ala CB . 18977 1 337 . 1 1 68 68 ALA N N 15 124.199 0.120 . 1 . . . . 68 Ala N . 18977 1 338 . 1 1 70 70 VAL H H 1 7.938 0.006 . 1 . . . . 70 Val H . 18977 1 339 . 1 1 70 70 VAL HA H 1 4.077 0.006 . 1 . . . . 70 Val HA . 18977 1 340 . 1 1 70 70 VAL HB H 1 1.442 0.006 . 1 . . . . 70 Val HB . 18977 1 341 . 1 1 70 70 VAL CA C 13 60.009 0.210 . 1 . . . . 70 Val CA . 18977 1 342 . 1 1 70 70 VAL CB C 13 35.177 0.210 . 1 . . . . 70 Val CB . 18977 1 343 . 1 1 70 70 VAL N N 15 122.866 0.120 . 1 . . . . 70 Val N . 18977 1 344 . 1 1 71 71 ARG H H 1 8.323 0.006 . 1 . . . . 71 Arg H . 18977 1 345 . 1 1 71 71 ARG HA H 1 4.263 0.006 . 1 . . . . 71 Arg HA . 18977 1 346 . 1 1 71 71 ARG HB2 H 1 1.792 0.006 . 2 . . . . 71 Arg HB . 18977 1 347 . 1 1 71 71 ARG HB3 H 1 1.792 0.006 . 2 . . . . 71 Arg HB . 18977 1 348 . 1 1 71 71 ARG CA C 13 56.105 0.210 . 1 . . . . 71 Arg CA . 18977 1 349 . 1 1 71 71 ARG CB C 13 31.273 0.210 . 1 . . . . 71 Arg CB . 18977 1 350 . 1 1 71 71 ARG N N 15 126.147 0.120 . 1 . . . . 71 Arg N . 18977 1 351 . 1 1 72 72 VAL H H 1 8.338 0.006 . 1 . . . . 72 Val H . 18977 1 352 . 1 1 72 72 VAL HA H 1 4.508 0.006 . 1 . . . . 72 Val HA . 18977 1 353 . 1 1 72 72 VAL HB H 1 1.844 0.006 . 1 . . . . 72 Val HB . 18977 1 354 . 1 1 72 72 VAL CA C 13 61.229 0.210 . 1 . . . . 72 Val CA . 18977 1 355 . 1 1 72 72 VAL CB C 13 33.397 0.210 . 1 . . . . 72 Val CB . 18977 1 356 . 1 1 72 72 VAL N N 15 124.516 0.120 . 1 . . . . 72 Val N . 18977 1 357 . 1 1 73 73 VAL H H 1 8.798 0.006 . 1 . . . . 73 Val H . 18977 1 358 . 1 1 73 73 VAL HA H 1 4.032 0.006 . 1 . . . . 73 Val HA . 18977 1 359 . 1 1 73 73 VAL HB H 1 1.762 0.006 . 1 . . . . 73 Val HB . 18977 1 360 . 1 1 73 73 VAL CA C 13 61.527 0.210 . 1 . . . . 73 Val CA . 18977 1 361 . 1 1 73 73 VAL CB C 13 33.684 0.210 . 1 . . . . 73 Val CB . 18977 1 362 . 1 1 73 73 VAL N N 15 129.204 0.120 . 1 . . . . 73 Val N . 18977 1 363 . 1 1 74 74 SER H H 1 8.641 0.006 . 1 . . . . 74 Ser H . 18977 1 364 . 1 1 74 74 SER HA H 1 4.434 0.006 . 1 . . . . 74 Ser HA . 18977 1 365 . 1 1 74 74 SER HB2 H 1 3.697 0.006 . 2 . . . . 74 Ser HB2 . 18977 1 366 . 1 1 74 74 SER HB3 H 1 3.504 0.006 . 2 . . . . 74 Ser HB3 . 18977 1 367 . 1 1 74 74 SER CA C 13 57.379 0.210 . 1 . . . . 74 Ser CA . 18977 1 368 . 1 1 74 74 SER CB C 13 63.421 0.210 . 1 . . . . 74 Ser CB . 18977 1 369 . 1 1 74 74 SER N N 15 122.782 0.120 . 1 . . . . 74 Ser N . 18977 1 370 . 1 1 75 75 LEU H H 1 9.062 0.006 . 1 . . . . 75 Leu H . 18977 1 371 . 1 1 75 75 LEU CA C 13 52.012 0.210 . 1 . . . . 75 Leu CA . 18977 1 372 . 1 1 75 75 LEU CB C 13 41.951 0.210 . 1 . . . . 75 Leu CB . 18977 1 373 . 1 1 75 75 LEU N N 15 131.368 0.120 . 1 . . . . 75 Leu N . 18977 1 374 . 1 1 77 77 THR H H 1 8.053 0.006 . 1 . . . . 77 Thr H . 18977 1 375 . 1 1 77 77 THR HA H 1 3.935 0.006 . 1 . . . . 77 Thr HA . 18977 1 376 . 1 1 77 77 THR HB H 1 4.568 0.006 . 1 . . . . 77 Thr HB . 18977 1 377 . 1 1 77 77 THR CA C 13 60.172 0.210 . 1 . . . . 77 Thr CA . 18977 1 378 . 1 1 77 77 THR CB C 13 68.531 0.210 . 1 . . . . 77 Thr CB . 18977 1 379 . 1 1 77 77 THR N N 15 117.487 0.120 . 1 . . . . 77 Thr N . 18977 1 380 . 1 1 78 78 HIS H H 1 8.405 0.006 . 1 . . . . 78 His H . 18977 1 381 . 1 1 78 78 HIS HA H 1 4.895 0.006 . 1 . . . . 78 His HA . 18977 1 382 . 1 1 78 78 HIS CA C 13 55.097 0.210 . 1 . . . . 78 His CA . 18977 1 383 . 1 1 78 78 HIS CB C 13 32.651 0.210 . 1 . . . . 78 His CB . 18977 1 384 . 1 1 78 78 HIS N N 15 121.320 0.120 . 1 . . . . 78 His N . 18977 1 385 . 1 1 79 79 ALA H H 1 9.641 0.006 . 1 . . . . 79 Ala H . 18977 1 386 . 1 1 79 79 ALA HA H 1 3.623 0.006 . 1 . . . . 79 Ala HA . 18977 1 387 . 1 1 79 79 ALA HB1 H 1 1.234 0.006 . 2 . . . . 79 Ala HB . 18977 1 388 . 1 1 79 79 ALA HB2 H 1 1.234 0.006 . 2 . . . . 79 Ala HB . 18977 1 389 . 1 1 79 79 ALA HB3 H 1 1.234 0.006 . 2 . . . . 79 Ala HB . 18977 1 390 . 1 1 79 79 ALA CA C 13 55.807 0.210 . 1 . . . . 79 Ala CA . 18977 1 391 . 1 1 79 79 ALA CB C 13 19.250 0.210 . 1 . . . . 79 Ala CB . 18977 1 392 . 1 1 79 79 ALA N N 15 126.952 0.120 . 1 . . . . 79 Ala N . 18977 1 393 . 1 1 80 80 ASP H H 1 8.693 0.006 . 1 . . . . 80 Asp H . 18977 1 394 . 1 1 80 80 ASP HA H 1 4.233 0.006 . 1 . . . . 80 Asp HA . 18977 1 395 . 1 1 80 80 ASP HB2 H 1 2.789 0.006 . 2 . . . . 80 Asp HB2 . 18977 1 396 . 1 1 80 80 ASP HB3 H 1 2.566 0.006 . 2 . . . . 80 Asp HB3 . 18977 1 397 . 1 1 80 80 ASP CA C 13 54.641 0.210 . 1 . . . . 80 Asp CA . 18977 1 398 . 1 1 80 80 ASP CB C 13 39.195 0.210 . 1 . . . . 80 Asp CB . 18977 1 399 . 1 1 80 80 ASP N N 15 111.656 0.120 . 1 . . . . 80 Asp N . 18977 1 400 . 1 1 81 81 ARG H H 1 7.560 0.006 . 1 . . . . 81 Arg H . 18977 1 401 . 1 1 81 81 ARG HA H 1 4.471 0.006 . 1 . . . . 81 Arg HA . 18977 1 402 . 1 1 81 81 ARG HB2 H 1 1.993 0.006 . 2 . . . . 81 Arg HB2 . 18977 1 403 . 1 1 81 81 ARG HB3 H 1 1.695 0.006 . 2 . . . . 81 Arg HB3 . 18977 1 404 . 1 1 81 81 ARG CA C 13 54.828 0.210 . 1 . . . . 81 Arg CA . 18977 1 405 . 1 1 81 81 ARG CB C 13 31.732 0.210 . 1 . . . . 81 Arg CB . 18977 1 406 . 1 1 81 81 ARG N N 15 117.454 0.120 . 1 . . . . 81 Arg N . 18977 1 407 . 1 1 82 82 VAL H H 1 6.728 0.006 . 1 . . . . 82 Val H . 18977 1 408 . 1 1 82 82 VAL HA H 1 3.697 0.006 . 1 . . . . 82 Val HA . 18977 1 409 . 1 1 82 82 VAL HB H 1 1.286 0.006 . 1 . . . . 82 Val HB . 18977 1 410 . 1 1 82 82 VAL CA C 13 64.319 0.210 . 1 . . . . 82 Val CA . 18977 1 411 . 1 1 82 82 VAL CB C 13 32.019 0.210 . 1 . . . . 82 Val CB . 18977 1 412 . 1 1 82 82 VAL N N 15 122.664 0.120 . 1 . . . . 82 Val N . 18977 1 413 . 1 1 83 83 ASP H H 1 7.194 0.006 . 1 . . . . 83 Asp H . 18977 1 414 . 1 1 83 83 ASP HA H 1 4.932 0.006 . 1 . . . . 83 Asp HA . 18977 1 415 . 1 1 83 83 ASP HB2 H 1 3.132 0.006 . 2 . . . . 83 Asp HB2 . 18977 1 416 . 1 1 83 83 ASP HB3 H 1 2.670 0.006 . 2 . . . . 83 Asp HB3 . 18977 1 417 . 1 1 83 83 ASP CA C 13 50.978 0.210 . 1 . . . . 83 Asp CA . 18977 1 418 . 1 1 83 83 ASP CB C 13 43.329 0.210 . 1 . . . . 83 Asp CB . 18977 1 419 . 1 1 83 83 ASP N N 15 125.188 0.120 . 1 . . . . 83 Asp N . 18977 1 420 . 1 1 84 84 ASP H H 1 8.302 0.006 . 1 . . . . 84 Asp H . 18977 1 421 . 1 1 84 84 ASP HA H 1 4.300 0.006 . 1 . . . . 84 Asp HA . 18977 1 422 . 1 1 84 84 ASP HB2 H 1 2.648 0.006 . 2 . . . . 84 Asp HB2 . 18977 1 423 . 1 1 84 84 ASP HB3 H 1 2.544 0.006 . 2 . . . . 84 Asp HB3 . 18977 1 424 . 1 1 84 84 ASP CA C 13 57.542 0.210 . 1 . . . . 84 Asp CA . 18977 1 425 . 1 1 84 84 ASP CB C 13 40.573 0.210 . 1 . . . . 84 Asp CB . 18977 1 426 . 1 1 84 84 ASP N N 15 118.674 0.120 . 1 . . . . 84 Asp N . 18977 1 427 . 1 1 85 85 ALA H H 1 7.979 0.006 . 1 . . . . 85 Ala H . 18977 1 428 . 1 1 85 85 ALA HA H 1 3.958 0.006 . 1 . . . . 85 Ala HA . 18977 1 429 . 1 1 85 85 ALA HB1 H 1 1.398 0.006 . 2 . . . . 85 Ala HB . 18977 1 430 . 1 1 85 85 ALA HB2 H 1 1.398 0.006 . 2 . . . . 85 Ala HB . 18977 1 431 . 1 1 85 85 ALA HB3 H 1 1.398 0.006 . 2 . . . . 85 Ala HB . 18977 1 432 . 1 1 85 85 ALA CA C 13 55.183 0.210 . 1 . . . . 85 Ala CA . 18977 1 433 . 1 1 85 85 ALA CB C 13 17.782 0.210 . 1 . . . . 85 Ala CB . 18977 1 434 . 1 1 85 85 ALA N N 15 120.248 0.120 . 1 . . . . 85 Ala N . 18977 1 435 . 1 1 86 86 GLU H H 1 8.160 0.006 . 1 . . . . 86 Glu H . 18977 1 436 . 1 1 86 86 GLU HA H 1 4.039 0.006 . 1 . . . . 86 Glu HA . 18977 1 437 . 1 1 86 86 GLU HB2 H 1 2.246 0.006 . 2 . . . . 86 Glu HB . 18977 1 438 . 1 1 86 86 GLU HB3 H 1 2.246 0.006 . 2 . . . . 86 Glu HB . 18977 1 439 . 1 1 86 86 GLU CA C 13 59.602 0.210 . 1 . . . . 86 Glu CA . 18977 1 440 . 1 1 86 86 GLU CB C 13 29.895 0.210 . 1 . . . . 86 Glu CB . 18977 1 441 . 1 1 86 86 GLU N N 15 122.284 0.120 . 1 . . . . 86 Glu N . 18977 1 442 . 1 1 87 87 VAL H H 1 8.146 0.006 . 1 . . . . 87 Val H . 18977 1 443 . 1 1 87 87 VAL HA H 1 3.452 0.006 . 1 . . . . 87 Val HA . 18977 1 444 . 1 1 87 87 VAL HB H 1 2.283 0.006 . 1 . . . . 87 Val HB . 18977 1 445 . 1 1 87 87 VAL CA C 13 68.169 0.210 . 1 . . . . 87 Val CA . 18977 1 446 . 1 1 87 87 VAL CB C 13 31.675 0.210 . 1 . . . . 87 Val CB . 18977 1 447 . 1 1 87 87 VAL N N 15 119.036 0.120 . 1 . . . . 87 Val N . 18977 1 448 . 1 1 88 88 LEU H H 1 8.320 0.006 . 1 . . . . 88 Leu H . 18977 1 449 . 1 1 88 88 LEU HA H 1 3.853 0.006 . 1 . . . . 88 Leu HA . 18977 1 450 . 1 1 88 88 LEU HB2 H 1 1.725 0.006 . 2 . . . . 88 Leu HB2 . 18977 1 451 . 1 1 88 88 LEU HB3 H 1 1.435 0.006 . 2 . . . . 88 Leu HB3 . 18977 1 452 . 1 1 88 88 LEU CA C 13 58.626 0.210 . 1 . . . . 88 Leu CA . 18977 1 453 . 1 1 88 88 LEU CB C 13 41.377 0.210 . 1 . . . . 88 Leu CB . 18977 1 454 . 1 1 88 88 LEU N N 15 118.279 0.120 . 1 . . . . 88 Leu N . 18977 1 455 . 1 1 89 89 SER H H 1 7.801 0.006 . 1 . . . . 89 Ser H . 18977 1 456 . 1 1 89 89 SER HA H 1 3.995 0.006 . 1 . . . . 89 Ser HA . 18977 1 457 . 1 1 89 89 SER HB2 H 1 4.099 0.006 . 2 . . . . 89 Ser HB . 18977 1 458 . 1 1 89 89 SER HB3 H 1 4.099 0.006 . 2 . . . . 89 Ser HB . 18977 1 459 . 1 1 89 89 SER CA C 13 61.337 0.210 . 1 . . . . 89 Ser CA . 18977 1 460 . 1 1 89 89 SER CB C 13 63.077 0.210 . 1 . . . . 89 Ser CB . 18977 1 461 . 1 1 89 89 SER N N 15 112.482 0.120 . 1 . . . . 89 Ser N . 18977 1 462 . 1 1 90 90 VAL H H 1 8.666 0.006 . 1 . . . . 90 Val H . 18977 1 463 . 1 1 90 90 VAL HA H 1 3.318 0.006 . 1 . . . . 90 Val HA . 18977 1 464 . 1 1 90 90 VAL HB H 1 1.807 0.006 . 1 . . . . 90 Val HB . 18977 1 465 . 1 1 90 90 VAL CA C 13 67.518 0.210 . 1 . . . . 90 Val CA . 18977 1 466 . 1 1 90 90 VAL CB C 13 31.445 0.210 . 1 . . . . 90 Val CB . 18977 1 467 . 1 1 90 90 VAL N N 15 122.276 0.120 . 1 . . . . 90 Val N . 18977 1 468 . 1 1 91 91 LEU H H 1 8.943 0.006 . 1 . . . . 91 Leu H . 18977 1 469 . 1 1 91 91 LEU HA H 1 3.980 0.006 . 1 . . . . 91 Leu HA . 18977 1 470 . 1 1 91 91 LEU HB2 H 1 1.093 0.006 . 2 . . . . 91 Leu HB . 18977 1 471 . 1 1 91 91 LEU HB3 H 1 1.093 0.006 . 2 . . . . 91 Leu HB . 18977 1 472 . 1 1 91 91 LEU CA C 13 58.952 0.210 . 1 . . . . 91 Leu CA . 18977 1 473 . 1 1 91 91 LEU CB C 13 40.975 0.210 . 1 . . . . 91 Leu CB . 18977 1 474 . 1 1 91 91 LEU N N 15 118.406 0.120 . 1 . . . . 91 Leu N . 18977 1 475 . 1 1 92 92 ARG H H 1 8.313 0.006 . 1 . . . . 92 Arg H . 18977 1 476 . 1 1 92 92 ARG CA C 13 60.415 0.210 . 1 . . . . 92 Arg CA . 18977 1 477 . 1 1 92 92 ARG CB C 13 29.953 0.210 . 1 . . . . 92 Arg CB . 18977 1 478 . 1 1 92 92 ARG N N 15 117.680 0.120 . 1 . . . . 92 Arg N . 18977 1 479 . 1 1 94 94 LEU H H 1 8.973 0.006 . 1 . . . . 94 Leu H . 18977 1 480 . 1 1 94 94 LEU HA H 1 3.935 0.006 . 1 . . . . 94 Leu HA . 18977 1 481 . 1 1 94 94 LEU HB2 H 1 2.194 0.006 . 2 . . . . 94 Leu HB2 . 18977 1 482 . 1 1 94 94 LEU HB3 H 1 1.353 0.006 . 2 . . . . 94 Leu HB3 . 18977 1 483 . 1 1 94 94 LEU CA C 13 58.491 0.210 . 1 . . . . 94 Leu CA . 18977 1 484 . 1 1 94 94 LEU CB C 13 42.123 0.210 . 1 . . . . 94 Leu CB . 18977 1 485 . 1 1 94 94 LEU N N 15 121.495 0.120 . 1 . . . . 94 Leu N . 18977 1 486 . 1 1 95 95 GLN H H 1 8.176 0.006 . 1 . . . . 95 Gln H . 18977 1 487 . 1 1 95 95 GLN HA H 1 4.322 0.006 . 1 . . . . 95 Gln HA . 18977 1 488 . 1 1 95 95 GLN HB2 H 1 2.082 0.006 . 2 . . . . 95 Gln HB2 . 18977 1 489 . 1 1 95 95 GLN HB3 H 1 2.015 0.006 . 2 . . . . 95 Gln HB3 . 18977 1 490 . 1 1 95 95 GLN CA C 13 59.684 0.210 . 1 . . . . 95 Gln CA . 18977 1 491 . 1 1 95 95 GLN CB C 13 30.297 0.210 . 1 . . . . 95 Gln CB . 18977 1 492 . 1 1 95 95 GLN N N 15 115.708 0.120 . 1 . . . . 95 Gln N . 18977 1 493 . 1 1 96 96 ALA H H 1 7.921 0.006 . 1 . . . . 96 Ala H . 18977 1 494 . 1 1 96 96 ALA HA H 1 4.047 0.006 . 1 . . . . 96 Ala HA . 18977 1 495 . 1 1 96 96 ALA HB1 H 1 1.427 0.006 . 2 . . . . 96 Ala HB . 18977 1 496 . 1 1 96 96 ALA HB2 H 1 1.427 0.006 . 2 . . . . 96 Ala HB . 18977 1 497 . 1 1 96 96 ALA HB3 H 1 1.427 0.006 . 2 . . . . 96 Ala HB . 18977 1 498 . 1 1 96 96 ALA CA C 13 55.129 0.210 . 1 . . . . 96 Ala CA . 18977 1 499 . 1 1 96 96 ALA CB C 13 17.954 0.210 . 1 . . . . 96 Ala CB . 18977 1 500 . 1 1 96 96 ALA N N 15 120.139 0.120 . 1 . . . . 96 Ala N . 18977 1 501 . 1 1 97 97 ALA H H 1 7.988 0.006 . 1 . . . . 97 Ala H . 18977 1 502 . 1 1 97 97 ALA HA H 1 4.181 0.006 . 1 . . . . 97 Ala HA . 18977 1 503 . 1 1 97 97 ALA HB1 H 1 1.398 0.006 . 2 . . . . 97 Ala HB . 18977 1 504 . 1 1 97 97 ALA HB2 H 1 1.398 0.006 . 2 . . . . 97 Ala HB . 18977 1 505 . 1 1 97 97 ALA HB3 H 1 1.398 0.006 . 2 . . . . 97 Ala HB . 18977 1 506 . 1 1 97 97 ALA CA C 13 55.081 0.210 . 1 . . . . 97 Ala CA . 18977 1 507 . 1 1 97 97 ALA CB C 13 17.725 0.210 . 1 . . . . 97 Ala CB . 18977 1 508 . 1 1 97 97 ALA N N 15 122.046 0.120 . 1 . . . . 97 Ala N . 18977 1 509 . 1 1 98 98 GLU H H 1 8.628 0.006 . 1 . . . . 98 Glu H . 18977 1 510 . 1 1 98 98 GLU HA H 1 4.692 0.006 . 1 . . . . 98 Glu HA . 18977 1 511 . 1 1 98 98 GLU CA C 13 59.467 0.210 . 1 . . . . 98 Glu CA . 18977 1 512 . 1 1 98 98 GLU CB C 13 31.790 0.210 . 1 . . . . 98 Glu CB . 18977 1 513 . 1 1 98 98 GLU N N 15 121.360 0.120 . 1 . . . . 98 Glu N . 18977 1 514 . 1 1 99 99 ARG H H 1 7.229 0.006 . 1 . . . . 99 Arg H . 18977 1 515 . 1 1 99 99 ARG HA H 1 4.017 0.006 . 1 . . . . 99 Arg HA . 18977 1 516 . 1 1 99 99 ARG HB2 H 1 1.919 0.006 . 2 . . . . 99 Arg HB . 18977 1 517 . 1 1 99 99 ARG HB3 H 1 1.919 0.006 . 2 . . . . 99 Arg HB . 18977 1 518 . 1 1 99 99 ARG CA C 13 58.599 0.210 . 1 . . . . 99 Arg CA . 18977 1 519 . 1 1 99 99 ARG CB C 13 30.010 0.210 . 1 . . . . 99 Arg CB . 18977 1 520 . 1 1 99 99 ARG N N 15 115.589 0.120 . 1 . . . . 99 Arg N . 18977 1 521 . 1 1 100 100 GLU H H 1 7.661 0.006 . 1 . . . . 100 Glu H . 18977 1 522 . 1 1 100 100 GLU HA H 1 4.307 0.006 . 1 . . . . 100 Glu HA . 18977 1 523 . 1 1 100 100 GLU HB2 H 1 2.090 0.006 . 2 . . . . 100 Glu HB2 . 18977 1 524 . 1 1 100 100 GLU HB3 H 1 2.015 0.006 . 2 . . . . 100 Glu HB3 . 18977 1 525 . 1 1 100 100 GLU CA C 13 56.349 0.210 . 1 . . . . 100 Glu CA . 18977 1 526 . 1 1 100 100 GLU CB C 13 30.139 0.210 . 1 . . . . 100 Glu CB . 18977 1 527 . 1 1 100 100 GLU N N 15 115.658 0.120 . 1 . . . . 100 Glu N . 18977 1 528 . 1 1 101 101 GLY H H 1 7.555 0.006 . 1 . . . . 101 Gly H . 18977 1 529 . 1 1 101 101 GLY CA C 13 44.204 0.210 . 1 . . . . 101 Gly CA . 18977 1 530 . 1 1 101 101 GLY N N 15 108.305 0.120 . 1 . . . . 101 Gly N . 18977 1 531 . 1 1 103 103 VAL H H 1 8.784 0.006 . 1 . . . . 103 Val H . 18977 1 532 . 1 1 103 103 VAL HA H 1 4.821 0.006 . 1 . . . . 103 Val HA . 18977 1 533 . 1 1 103 103 VAL HB H 1 2.179 0.006 . 1 . . . . 103 Val HB . 18977 1 534 . 1 1 103 103 VAL CA C 13 59.900 0.210 . 1 . . . . 103 Val CA . 18977 1 535 . 1 1 103 103 VAL CB C 13 35.579 0.210 . 1 . . . . 103 Val CB . 18977 1 536 . 1 1 103 103 VAL N N 15 126.849 0.120 . 1 . . . . 103 Val N . 18977 1 537 . 1 1 104 104 LEU H H 1 8.453 0.006 . 1 . . . . 104 Leu H . 18977 1 538 . 1 1 104 104 LEU HA H 1 5.096 0.006 . 1 . . . . 104 Leu HA . 18977 1 539 . 1 1 104 104 LEU HB2 H 1 1.785 0.006 . 2 . . . . 104 Leu HB2 . 18977 1 540 . 1 1 104 104 LEU HB3 H 1 1.085 0.006 . 2 . . . . 104 Leu HB3 . 18977 1 541 . 1 1 104 104 LEU CA C 13 52.721 0.210 . 1 . . . . 104 Leu CA . 18977 1 542 . 1 1 104 104 LEU CB C 13 46.371 0.210 . 1 . . . . 104 Leu CB . 18977 1 543 . 1 1 104 104 LEU N N 15 126.293 0.120 . 1 . . . . 104 Leu N . 18977 1 544 . 1 1 105 105 MET H H 1 9.014 0.006 . 1 . . . . 105 Met H . 18977 1 545 . 1 1 105 105 MET CA C 13 52.581 0.210 . 1 . . . . 105 Met CA . 18977 1 546 . 1 1 105 105 MET CB C 13 35.005 0.210 . 1 . . . . 105 Met CB . 18977 1 547 . 1 1 105 105 MET N N 15 125.384 0.120 . 1 . . . . 105 Met N . 18977 1 548 . 1 1 109 109 HIS H H 1 10.215 0.006 . 1 . . . . 109 His H . 18977 1 549 . 1 1 109 109 HIS HA H 1 4.858 0.006 . 1 . . . . 109 His HA . 18977 1 550 . 1 1 109 109 HIS HB2 H 1 3.801 0.006 . 2 . . . . 109 His HB2 . 18977 1 551 . 1 1 109 109 HIS HB3 H 1 3.563 0.006 . 2 . . . . 109 His HB3 . 18977 1 552 . 1 1 109 109 HIS CA C 13 58.057 0.210 . 1 . . . . 109 His CA . 18977 1 553 . 1 1 109 109 HIS CB C 13 28.690 0.210 . 1 . . . . 109 His CB . 18977 1 554 . 1 1 109 109 HIS N N 15 119.373 0.120 . 1 . . . . 109 His N . 18977 1 555 . 1 1 110 110 GLY H H 1 9.458 0.006 . 1 . . . . 110 Gly H . 18977 1 556 . 1 1 110 110 GLY HA2 H 1 4.307 0.006 . 2 . . . . 110 Gly HA2 . 18977 1 557 . 1 1 110 110 GLY HA3 H 1 3.883 0.006 . 2 . . . . 110 Gly HA3 . 18977 1 558 . 1 1 110 110 GLY CA C 13 45.234 0.210 . 1 . . . . 110 Gly CA . 18977 1 559 . 1 1 110 110 GLY N N 15 113.820 0.120 . 1 . . . . 110 Gly N . 18977 1 560 . 1 1 111 111 ASN H H 1 7.408 0.006 . 1 . . . . 111 Asn H . 18977 1 561 . 1 1 111 111 ASN HA H 1 4.404 0.006 . 1 . . . . 111 Asn HA . 18977 1 562 . 1 1 111 111 ASN HB2 H 1 2.536 0.006 . 2 . . . . 111 Asn HB . 18977 1 563 . 1 1 111 111 ASN HB3 H 1 2.536 0.006 . 2 . . . . 111 Asn HB . 18977 1 564 . 1 1 111 111 ASN CA C 13 53.150 0.210 . 1 . . . . 111 Asn CA . 18977 1 565 . 1 1 111 111 ASN CB C 13 40.114 0.210 . 1 . . . . 111 Asn CB . 18977 1 566 . 1 1 111 111 ASN N N 15 113.109 0.120 . 1 . . . . 111 Asn N . 18977 1 567 . 1 1 112 112 ASN H H 1 8.750 0.006 . 1 . . . . 112 Asn H . 18977 1 568 . 1 1 112 112 ASN HA H 1 5.230 0.006 . 1 . . . . 112 Asn HA . 18977 1 569 . 1 1 112 112 ASN HB2 H 1 3.891 0.006 . 2 . . . . 112 Asn HB2 . 18977 1 570 . 1 1 112 112 ASN HB3 H 1 3.176 0.006 . 2 . . . . 112 Asn HB3 . 18977 1 571 . 1 1 112 112 ASN CA C 13 54.451 0.210 . 1 . . . . 112 Asn CA . 18977 1 572 . 1 1 112 112 ASN CB C 13 38.047 0.210 . 1 . . . . 112 Asn CB . 18977 1 573 . 1 1 112 112 ASN N N 15 122.671 0.120 . 1 . . . . 112 Asn N . 18977 1 574 . 1 1 113 113 ARG H H 1 10.256 0.006 . 1 . . . . 113 Arg H . 18977 1 575 . 1 1 113 113 ARG HA H 1 3.429 0.006 . 1 . . . . 113 Arg HA . 18977 1 576 . 1 1 113 113 ARG CA C 13 62.557 0.210 . 1 . . . . 113 Arg CA . 18977 1 577 . 1 1 113 113 ARG CB C 13 30.067 0.210 . 1 . . . . 113 Arg CB . 18977 1 578 . 1 1 113 113 ARG N N 15 122.412 0.120 . 1 . . . . 113 Arg N . 18977 1 579 . 1 1 114 114 THR H H 1 9.414 0.006 . 1 . . . . 114 Thr H . 18977 1 580 . 1 1 114 114 THR CA C 13 68.494 0.210 . 1 . . . . 114 Thr CA . 18977 1 581 . 1 1 114 114 THR CB C 13 66.234 0.210 . 1 . . . . 114 Thr CB . 18977 1 582 . 1 1 114 114 THR N N 15 114.654 0.120 . 1 . . . . 114 Thr N . 18977 1 583 . 1 1 116 116 LEU H H 1 7.939 0.006 . 1 . . . . 116 Leu H . 18977 1 584 . 1 1 116 116 LEU HA H 1 3.474 0.006 . 1 . . . . 116 Leu HA . 18977 1 585 . 1 1 116 116 LEU HB2 H 1 1.286 0.006 . 2 . . . . 116 Leu HB . 18977 1 586 . 1 1 116 116 LEU HB3 H 1 1.286 0.006 . 2 . . . . 116 Leu HB . 18977 1 587 . 1 1 116 116 LEU CA C 13 59.846 0.210 . 1 . . . . 116 Leu CA . 18977 1 588 . 1 1 116 116 LEU CB C 13 42.468 0.210 . 1 . . . . 116 Leu CB . 18977 1 589 . 1 1 116 116 LEU N N 15 123.725 0.120 . 1 . . . . 116 Leu N . 18977 1 590 . 1 1 117 117 PHE H H 1 7.327 0.006 . 1 . . . . 117 Phe H . 18977 1 591 . 1 1 117 117 PHE HA H 1 3.742 0.006 . 1 . . . . 117 Phe HA . 18977 1 592 . 1 1 117 117 PHE HB2 H 1 2.678 0.006 . 2 . . . . 117 Phe HB2 . 18977 1 593 . 1 1 117 117 PHE HB3 H 1 2.350 0.006 . 2 . . . . 117 Phe HB3 . 18977 1 594 . 1 1 117 117 PHE CA C 13 63.154 0.210 . 1 . . . . 117 Phe CA . 18977 1 595 . 1 1 117 117 PHE CB C 13 38.449 0.210 . 1 . . . . 117 Phe CB . 18977 1 596 . 1 1 117 117 PHE N N 15 116.960 0.120 . 1 . . . . 117 Phe N . 18977 1 597 . 1 1 118 118 ALA H H 1 8.995 0.006 . 1 . . . . 118 Ala H . 18977 1 598 . 1 1 118 118 ALA HA H 1 3.593 0.006 . 1 . . . . 118 Ala HA . 18977 1 599 . 1 1 118 118 ALA HB1 H 1 1.100 0.006 . 2 . . . . 118 Ala HB . 18977 1 600 . 1 1 118 118 ALA HB2 H 1 1.100 0.006 . 2 . . . . 118 Ala HB . 18977 1 601 . 1 1 118 118 ALA HB3 H 1 1.100 0.006 . 2 . . . . 118 Ala HB . 18977 1 602 . 1 1 118 118 ALA CA C 13 55.698 0.210 . 1 . . . . 118 Ala CA . 18977 1 603 . 1 1 118 118 ALA CB C 13 19.160 0.210 . 1 . . . . 118 Ala CB . 18977 1 604 . 1 1 118 118 ALA N N 15 120.447 0.120 . 1 . . . . 118 Ala N . 18977 1 605 . 1 1 119 119 ALA H H 1 7.845 0.006 . 1 . . . . 119 Ala H . 18977 1 606 . 1 1 119 119 ALA HA H 1 4.099 0.006 . 1 . . . . 119 Ala HA . 18977 1 607 . 1 1 119 119 ALA HB1 H 1 1.234 0.006 . 2 . . . . 119 Ala HB . 18977 1 608 . 1 1 119 119 ALA HB2 H 1 1.234 0.006 . 2 . . . . 119 Ala HB . 18977 1 609 . 1 1 119 119 ALA HB3 H 1 1.234 0.006 . 2 . . . . 119 Ala HB . 18977 1 610 . 1 1 119 119 ALA CA C 13 54.939 0.210 . 1 . . . . 119 Ala CA . 18977 1 611 . 1 1 119 119 ALA CB C 13 18.995 0.210 . 1 . . . . 119 Ala CB . 18977 1 612 . 1 1 119 119 ALA N N 15 119.853 0.120 . 1 . . . . 119 Ala N . 18977 1 613 . 1 1 120 120 MET H H 1 7.977 0.006 . 1 . . . . 120 Met H . 18977 1 614 . 1 1 120 120 MET HA H 1 4.553 0.006 . 1 . . . . 120 Met HA . 18977 1 615 . 1 1 120 120 MET HB2 H 1 1.755 0.006 . 2 . . . . 120 Met HB . 18977 1 616 . 1 1 120 120 MET HB3 H 1 1.755 0.006 . 2 . . . . 120 Met HB . 18977 1 617 . 1 1 120 120 MET CA C 13 55.536 0.210 . 1 . . . . 120 Met CA . 18977 1 618 . 1 1 120 120 MET CB C 13 27.829 0.210 . 1 . . . . 120 Met CB . 18977 1 619 . 1 1 120 120 MET N N 15 112.764 0.120 . 1 . . . . 120 Met N . 18977 1 620 . 1 1 121 121 TYR H H 1 8.745 0.006 . 1 . . . . 121 Tyr H . 18977 1 621 . 1 1 121 121 TYR HA H 1 3.660 0.006 . 1 . . . . 121 Tyr HA . 18977 1 622 . 1 1 121 121 TYR HB2 H 1 1.785 0.006 . 2 . . . . 121 Tyr HB . 18977 1 623 . 1 1 121 121 TYR HB3 H 1 1.785 0.006 . 2 . . . . 121 Tyr HB . 18977 1 624 . 1 1 121 121 TYR CA C 13 63.004 0.210 . 1 . . . . 121 Tyr CA . 18977 1 625 . 1 1 121 121 TYR CB C 13 37.990 0.210 . 1 . . . . 121 Tyr CB . 18977 1 626 . 1 1 121 121 TYR N N 15 125.816 0.120 . 1 . . . . 121 Tyr N . 18977 1 627 . 1 1 122 122 ARG H H 1 8.283 0.006 . 1 . . . . 122 Arg H . 18977 1 628 . 1 1 122 122 ARG HA H 1 3.228 0.006 . 1 . . . . 122 Arg HA . 18977 1 629 . 1 1 122 122 ARG CA C 13 57.244 0.210 . 1 . . . . 122 Arg CA . 18977 1 630 . 1 1 122 122 ARG CB C 13 29.838 0.210 . 1 . . . . 122 Arg CB . 18977 1 631 . 1 1 122 122 ARG N N 15 117.606 0.120 . 1 . . . . 122 Arg N . 18977 1 632 . 1 1 123 123 ILE H H 1 7.834 0.006 . 1 . . . . 123 Ile H . 18977 1 633 . 1 1 123 123 ILE HA H 1 4.337 0.006 . 1 . . . . 123 Ile HA . 18977 1 634 . 1 1 123 123 ILE HB H 1 1.517 0.006 . 1 . . . . 123 Ile HB . 18977 1 635 . 1 1 123 123 ILE CA C 13 63.289 0.210 . 1 . . . . 123 Ile CA . 18977 1 636 . 1 1 123 123 ILE CB C 13 40.918 0.210 . 1 . . . . 123 Ile CB . 18977 1 637 . 1 1 123 123 ILE N N 15 115.624 0.120 . 1 . . . . 123 Ile N . 18977 1 638 . 1 1 124 124 VAL H H 1 9.189 0.006 . 1 . . . . 124 Val H . 18977 1 639 . 1 1 124 124 VAL HA H 1 3.474 0.006 . 1 . . . . 124 Val HA . 18977 1 640 . 1 1 124 124 VAL HB H 1 2.015 0.006 . 1 . . . . 124 Val HB . 18977 1 641 . 1 1 124 124 VAL CA C 13 65.593 0.210 . 1 . . . . 124 Val CA . 18977 1 642 . 1 1 124 124 VAL CB C 13 32.077 0.210 . 1 . . . . 124 Val CB . 18977 1 643 . 1 1 124 124 VAL N N 15 118.859 0.120 . 1 . . . . 124 Val N . 18977 1 644 . 1 1 125 125 VAL H H 1 7.695 0.006 . 1 . . . . 125 Val H . 18977 1 645 . 1 1 125 125 VAL HA H 1 3.638 0.006 . 1 . . . . 125 Val HA . 18977 1 646 . 1 1 125 125 VAL HB H 1 1.204 0.006 . 1 . . . . 125 Val HB . 18977 1 647 . 1 1 125 125 VAL CA C 13 65.191 0.210 . 1 . . . . 125 Val CA . 18977 1 648 . 1 1 125 125 VAL CB C 13 30.412 0.210 . 1 . . . . 125 Val CB . 18977 1 649 . 1 1 125 125 VAL N N 15 118.570 0.120 . 1 . . . . 125 Val N . 18977 1 650 . 1 1 126 126 GLN H H 1 7.120 0.006 . 1 . . . . 126 Gln H . 18977 1 651 . 1 1 126 126 GLN HA H 1 4.441 0.006 . 1 . . . . 126 Gln HA . 18977 1 652 . 1 1 126 126 GLN HB2 H 1 2.358 0.006 . 2 . . . . 126 Gln HB . 18977 1 653 . 1 1 126 126 GLN HB3 H 1 2.358 0.006 . 2 . . . . 126 Gln HB . 18977 1 654 . 1 1 126 126 GLN CA C 13 56.512 0.210 . 1 . . . . 126 Gln CA . 18977 1 655 . 1 1 126 126 GLN CB C 13 30.553 0.210 . 1 . . . . 126 Gln CB . 18977 1 656 . 1 1 126 126 GLN N N 15 113.314 0.120 . 1 . . . . 126 Gln N . 18977 1 657 . 1 1 127 127 GLY H H 1 6.713 0.006 . 1 . . . . 127 Gly H . 18977 1 658 . 1 1 127 127 GLY HA2 H 1 3.980 0.006 . 2 . . . . 127 Gly HA2 . 18977 1 659 . 1 1 127 127 GLY HA3 H 1 3.764 0.006 . 2 . . . . 127 Gly HA3 . 18977 1 660 . 1 1 127 127 GLY CA C 13 46.719 0.210 . 1 . . . . 127 Gly CA . 18977 1 661 . 1 1 127 127 GLY N N 15 106.725 0.120 . 1 . . . . 127 Gly N . 18977 1 662 . 1 1 128 128 TRP H H 1 9.028 0.006 . 1 . . . . 128 Trp H . 18977 1 663 . 1 1 128 128 TRP HA H 1 4.501 0.006 . 1 . . . . 128 Trp HA . 18977 1 664 . 1 1 128 128 TRP HB2 H 1 3.280 0.006 . 2 . . . . 128 Trp HB2 . 18977 1 665 . 1 1 128 128 TRP HB3 H 1 2.313 0.006 . 2 . . . . 128 Trp HB3 . 18977 1 666 . 1 1 128 128 TRP CA C 13 57.271 0.210 . 1 . . . . 128 Trp CA . 18977 1 667 . 1 1 128 128 TRP CB C 13 29.149 0.210 . 1 . . . . 128 Trp CB . 18977 1 668 . 1 1 128 128 TRP N N 15 123.348 0.120 . 1 . . . . 128 Trp N . 18977 1 669 . 1 1 129 129 ASP H H 1 8.208 0.006 . 1 . . . . 129 Asp H . 18977 1 670 . 1 1 129 129 ASP HA H 1 4.635 0.006 . 1 . . . . 129 Asp HA . 18977 1 671 . 1 1 129 129 ASP HB2 H 1 2.737 0.006 . 2 . . . . 129 Asp HB2 . 18977 1 672 . 1 1 129 129 ASP CA C 13 53.448 0.210 . 1 . . . . 129 Asp CA . 18977 1 673 . 1 1 129 129 ASP CB C 13 42.123 0.210 . 1 . . . . 129 Asp CB . 18977 1 674 . 1 1 129 129 ASP N N 15 116.838 0.120 . 1 . . . . 129 Asp N . 18977 1 675 . 1 1 130 130 LYS H H 1 8.875 0.006 . 1 . . . . 130 Lys H . 18977 1 676 . 1 1 130 130 LYS HA H 1 3.697 0.006 . 1 . . . . 130 Lys HA . 18977 1 677 . 1 1 130 130 LYS HB2 H 1 1.695 0.006 . 2 . . . . 130 Lys HB . 18977 1 678 . 1 1 130 130 LYS HB3 H 1 1.695 0.006 . 2 . . . . 130 Lys HB . 18977 1 679 . 1 1 130 130 LYS CA C 13 60.388 0.210 . 1 . . . . 130 Lys CA . 18977 1 680 . 1 1 130 130 LYS CB C 13 32.593 0.210 . 1 . . . . 130 Lys CB . 18977 1 681 . 1 1 130 130 LYS N N 15 122.086 0.120 . 1 . . . . 130 Lys N . 18977 1 682 . 1 1 131 131 GLN H H 1 8.556 0.006 . 1 . . . . 131 Gln H . 18977 1 683 . 1 1 131 131 GLN HA H 1 3.920 0.006 . 1 . . . . 131 Gln HA . 18977 1 684 . 1 1 131 131 GLN HB2 H 1 2.090 0.006 . 2 . . . . 131 Gln HB . 18977 1 685 . 1 1 131 131 GLN HB3 H 1 2.090 0.006 . 2 . . . . 131 Gln HB . 18977 1 686 . 1 1 131 131 GLN CA C 13 59.033 0.210 . 1 . . . . 131 Gln CA . 18977 1 687 . 1 1 131 131 GLN CB C 13 27.484 0.210 . 1 . . . . 131 Gln CB . 18977 1 688 . 1 1 131 131 GLN N N 15 116.486 0.120 . 1 . . . . 131 Gln N . 18977 1 689 . 1 1 132 132 ALA H H 1 7.558 0.006 . 1 . . . . 132 Ala H . 18977 1 690 . 1 1 132 132 ALA HA H 1 4.285 0.006 . 1 . . . . 132 Ala HA . 18977 1 691 . 1 1 132 132 ALA HB1 H 1 1.517 0.006 . 2 . . . . 132 Ala HB . 18977 1 692 . 1 1 132 132 ALA HB2 H 1 1.517 0.006 . 2 . . . . 132 Ala HB . 18977 1 693 . 1 1 132 132 ALA HB3 H 1 1.517 0.006 . 2 . . . . 132 Ala HB . 18977 1 694 . 1 1 132 132 ALA CA C 13 54.912 0.210 . 1 . . . . 132 Ala CA . 18977 1 695 . 1 1 132 132 ALA CB C 13 18.873 0.210 . 1 . . . . 132 Ala CB . 18977 1 696 . 1 1 132 132 ALA N N 15 121.878 0.120 . 1 . . . . 132 Ala N . 18977 1 697 . 1 1 133 133 ALA H H 1 8.122 0.006 . 1 . . . . 133 Ala H . 18977 1 698 . 1 1 133 133 ALA HA H 1 4.315 0.006 . 1 . . . . 133 Ala HA . 18977 1 699 . 1 1 133 133 ALA HB1 H 1 1.517 0.006 . 2 . . . . 133 Ala HB . 18977 1 700 . 1 1 133 133 ALA HB2 H 1 1.517 0.006 . 2 . . . . 133 Ala HB . 18977 1 701 . 1 1 133 133 ALA HB3 H 1 1.517 0.006 . 2 . . . . 133 Ala HB . 18977 1 702 . 1 1 133 133 ALA CA C 13 55.183 0.210 . 1 . . . . 133 Ala CA . 18977 1 703 . 1 1 133 133 ALA CB C 13 19.217 0.210 . 1 . . . . 133 Ala CB . 18977 1 704 . 1 1 133 133 ALA N N 15 120.577 0.120 . 1 . . . . 133 Ala N . 18977 1 705 . 1 1 134 134 LEU H H 1 8.705 0.006 . 1 . . . . 134 Leu H . 18977 1 706 . 1 1 134 134 LEU HA H 1 3.905 0.006 . 1 . . . . 134 Leu HA . 18977 1 707 . 1 1 134 134 LEU HB2 H 1 1.822 0.006 . 2 . . . . 134 Leu HB2 . 18977 1 708 . 1 1 134 134 LEU HB3 H 1 1.427 0.006 . 2 . . . . 134 Leu HB3 . 18977 1 709 . 1 1 134 134 LEU CA C 13 58.030 0.210 . 1 . . . . 134 Leu CA . 18977 1 710 . 1 1 134 134 LEU CB C 13 42.295 0.210 . 1 . . . . 134 Leu CB . 18977 1 711 . 1 1 134 134 LEU N N 15 121.443 0.120 . 1 . . . . 134 Leu N . 18977 1 712 . 1 1 135 135 GLU H H 1 8.260 0.006 . 1 . . . . 135 Glu H . 18977 1 713 . 1 1 135 135 GLU HA H 1 3.965 0.006 . 1 . . . . 135 Glu HA . 18977 1 714 . 1 1 135 135 GLU HB2 H 1 2.231 0.006 . 2 . . . . 135 Glu HB . 18977 1 715 . 1 1 135 135 GLU HB3 H 1 2.231 0.006 . 2 . . . . 135 Glu HB . 18977 1 716 . 1 1 135 135 GLU CA C 13 59.928 0.210 . 1 . . . . 135 Glu CA . 18977 1 717 . 1 1 135 135 GLU CB C 13 29.264 0.210 . 1 . . . . 135 Glu CB . 18977 1 718 . 1 1 135 135 GLU N N 15 119.957 0.120 . 1 . . . . 135 Glu N . 18977 1 719 . 1 1 136 136 GLU H H 1 7.294 0.006 . 1 . . . . 136 Glu H . 18977 1 720 . 1 1 136 136 GLU HA H 1 1.710 0.006 . 1 . . . . 136 Glu HA . 18977 1 721 . 1 1 136 136 GLU CA C 13 59.006 0.210 . 1 . . . . 136 Glu CA . 18977 1 722 . 1 1 136 136 GLU CB C 13 29.149 0.210 . 1 . . . . 136 Glu CB . 18977 1 723 . 1 1 136 136 GLU N N 15 118.167 0.120 . 1 . . . . 136 Glu N . 18977 1 724 . 1 1 137 137 MET H H 1 7.636 0.006 . 1 . . . . 137 Met H . 18977 1 725 . 1 1 137 137 MET HA H 1 3.667 0.006 . 1 . . . . 137 Met HA . 18977 1 726 . 1 1 137 137 MET CA C 13 59.586 0.210 . 1 . . . . 137 Met CA . 18977 1 727 . 1 1 137 137 MET CB C 13 36.440 0.210 . 1 . . . . 137 Met CB . 18977 1 728 . 1 1 137 137 MET N N 15 117.584 0.120 . 1 . . . . 137 Met N . 18977 1 729 . 1 1 138 138 GLN H H 1 8.063 0.006 . 1 . . . . 138 Gln H . 18977 1 730 . 1 1 138 138 GLN HA H 1 4.374 0.006 . 1 . . . . 138 Gln HA . 18977 1 731 . 1 1 138 138 GLN HB2 H 1 2.038 0.006 . 2 . . . . 138 Gln HB . 18977 1 732 . 1 1 138 138 GLN HB3 H 1 2.038 0.006 . 2 . . . . 138 Gln HB . 18977 1 733 . 1 1 138 138 GLN CA C 13 57.650 0.210 . 1 . . . . 138 Gln CA . 18977 1 734 . 1 1 138 138 GLN CB C 13 30.412 0.210 . 1 . . . . 138 Gln CB . 18977 1 735 . 1 1 138 138 GLN N N 15 112.448 0.120 . 1 . . . . 138 Gln N . 18977 1 736 . 1 1 139 139 ARG H H 1 8.508 0.006 . 1 . . . . 139 Arg H . 18977 1 737 . 1 1 139 139 ARG HA H 1 4.724 0.006 . 1 . . . . 139 Arg HA . 18977 1 738 . 1 1 139 139 ARG HB2 H 1 2.224 0.006 . 2 . . . . 139 Arg HB2 . 18977 1 739 . 1 1 139 139 ARG HB3 H 1 1.986 0.006 . 2 . . . . 139 Arg HB3 . 18977 1 740 . 1 1 139 139 ARG CA C 13 55.373 0.210 . 1 . . . . 139 Arg CA . 18977 1 741 . 1 1 139 139 ARG CB C 13 30.642 0.210 . 1 . . . . 139 Arg CB . 18977 1 742 . 1 1 139 139 ARG N N 15 116.131 0.120 . 1 . . . . 139 Arg N . 18977 1 743 . 1 1 140 140 GLY H H 1 7.960 0.006 . 1 . . . . 140 Gly H . 18977 1 744 . 1 1 140 140 GLY HA2 H 1 3.965 0.006 . 2 . . . . 140 Gly HA2 . 18977 1 745 . 1 1 140 140 GLY HA3 H 1 3.429 0.006 . 2 . . . . 140 Gly HA3 . 18977 1 746 . 1 1 140 140 GLY CA C 13 46.454 0.210 . 1 . . . . 140 Gly CA . 18977 1 747 . 1 1 140 140 GLY N N 15 109.282 0.120 . 1 . . . . 140 Gly N . 18977 1 748 . 1 1 141 141 GLY H H 1 7.808 0.006 . 1 . . . . 141 Gly H . 18977 1 749 . 1 1 141 141 GLY HA2 H 1 4.151 0.006 . 2 . . . . 141 Gly HA2 . 18977 1 750 . 1 1 141 141 GLY HA3 H 1 3.481 0.006 . 2 . . . . 141 Gly HA3 . 18977 1 751 . 1 1 141 141 GLY CA C 13 44.502 0.210 . 1 . . . . 141 Gly CA . 18977 1 752 . 1 1 141 141 GLY N N 15 106.922 0.120 . 1 . . . . 141 Gly N . 18977 1 753 . 1 1 142 142 PHE H H 1 7.369 0.006 . 1 . . . . 142 Phe H . 18977 1 754 . 1 1 142 142 PHE HA H 1 4.627 0.006 . 1 . . . . 142 Phe HA . 18977 1 755 . 1 1 142 142 PHE HB2 H 1 3.102 0.006 . 2 . . . . 142 Phe HB2 . 18977 1 756 . 1 1 142 142 PHE HB3 H 1 2.670 0.006 . 2 . . . . 142 Phe HB3 . 18977 1 757 . 1 1 142 142 PHE CA C 13 56.946 0.210 . 1 . . . . 142 Phe CA . 18977 1 758 . 1 1 142 142 PHE CB C 13 39.655 0.210 . 1 . . . . 142 Phe CB . 18977 1 759 . 1 1 142 142 PHE N N 15 119.645 0.120 . 1 . . . . 142 Phe N . 18977 1 760 . 1 1 143 143 GLY H H 1 7.637 0.006 . 1 . . . . 143 Gly H . 18977 1 761 . 1 1 143 143 GLY HA2 H 1 3.987 0.006 . 2 . . . . 143 Gly HA2 . 18977 1 762 . 1 1 143 143 GLY HA3 H 1 3.868 0.006 . 2 . . . . 143 Gly HA3 . 18977 1 763 . 1 1 143 143 GLY CA C 13 45.017 0.210 . 1 . . . . 143 Gly CA . 18977 1 764 . 1 1 143 143 GLY N N 15 104.381 0.120 . 1 . . . . 143 Gly N . 18977 1 765 . 1 1 144 144 ASP H H 1 9.011 0.006 . 1 . . . . 144 Asp H . 18977 1 766 . 1 1 144 144 ASP HA H 1 4.843 0.006 . 1 . . . . 144 Asp HA . 18977 1 767 . 1 1 144 144 ASP HB2 H 1 2.715 0.006 . 2 . . . . 144 Asp HB2 . 18977 1 768 . 1 1 144 144 ASP HB3 H 1 2.492 0.006 . 2 . . . . 144 Asp HB3 . 18977 1 769 . 1 1 144 144 ASP CA C 13 53.113 0.210 . 1 . . . . 144 Asp CA . 18977 1 770 . 1 1 144 144 ASP CB C 13 42.755 0.210 . 1 . . . . 144 Asp CB . 18977 1 771 . 1 1 144 144 ASP N N 15 121.016 0.120 . 1 . . . . 144 Asp N . 18977 1 772 . 1 1 145 145 GLU H H 1 8.861 0.006 . 1 . . . . 145 Glu H . 18977 1 773 . 1 1 145 145 GLU HA H 1 3.846 0.006 . 1 . . . . 145 Glu HA . 18977 1 774 . 1 1 145 145 GLU HB2 H 1 1.971 0.006 . 2 . . . . 145 Glu HB . 18977 1 775 . 1 1 145 145 GLU HB3 H 1 1.971 0.006 . 2 . . . . 145 Glu HB . 18977 1 776 . 1 1 145 145 GLU CA C 13 60.361 0.210 . 1 . . . . 145 Glu CA . 18977 1 777 . 1 1 145 145 GLU CB C 13 29.551 0.210 . 1 . . . . 145 Glu CB . 18977 1 778 . 1 1 145 145 GLU N N 15 122.825 0.120 . 1 . . . . 145 Glu N . 18977 1 779 . 1 1 146 146 ASP H H 1 8.704 0.006 . 1 . . . . 146 Asp H . 18977 1 780 . 1 1 146 146 ASP HA H 1 4.352 0.006 . 1 . . . . 146 Asp HA . 18977 1 781 . 1 1 146 146 ASP HB2 H 1 2.551 0.006 . 2 . . . . 146 Asp HB . 18977 1 782 . 1 1 146 146 ASP HB3 H 1 2.551 0.006 . 2 . . . . 146 Asp HB . 18977 1 783 . 1 1 146 146 ASP CA C 13 56.593 0.210 . 1 . . . . 146 Asp CA . 18977 1 784 . 1 1 146 146 ASP CB C 13 40.458 0.210 . 1 . . . . 146 Asp CB . 18977 1 785 . 1 1 146 146 ASP N N 15 118.055 0.120 . 1 . . . . 146 Asp N . 18977 1 786 . 1 1 147 147 ASP H H 1 7.799 0.006 . 1 . . . . 147 Asp H . 18977 1 787 . 1 1 147 147 ASP HA H 1 4.531 0.006 . 1 . . . . 147 Asp HA . 18977 1 788 . 1 1 147 147 ASP HB2 H 1 2.812 0.006 . 2 . . . . 147 Asp HB2 . 18977 1 789 . 1 1 147 147 ASP HB3 H 1 2.611 0.006 . 2 . . . . 147 Asp HB3 . 18977 1 790 . 1 1 147 147 ASP CA C 13 55.590 0.210 . 1 . . . . 147 Asp CA . 18977 1 791 . 1 1 147 147 ASP CB C 13 41.549 0.210 . 1 . . . . 147 Asp CB . 18977 1 792 . 1 1 147 147 ASP N N 15 117.888 0.120 . 1 . . . . 147 Asp N . 18977 1 793 . 1 1 148 148 MET H H 1 7.246 0.006 . 1 . . . . 148 Met H . 18977 1 794 . 1 1 148 148 MET HA H 1 4.999 0.006 . 1 . . . . 148 Met HA . 18977 1 795 . 1 1 148 148 MET HB2 H 1 2.090 0.006 . 2 . . . . 148 Met HB2 . 18977 1 796 . 1 1 148 148 MET HB3 H 1 1.822 0.006 . 2 . . . . 148 Met HB3 . 18977 1 797 . 1 1 148 148 MET CA C 13 53.882 0.210 . 1 . . . . 148 Met CA . 18977 1 798 . 1 1 148 148 MET CB C 13 32.938 0.210 . 1 . . . . 148 Met CB . 18977 1 799 . 1 1 148 148 MET N N 15 114.716 0.120 . 1 . . . . 148 Met N . 18977 1 800 . 1 1 149 149 ARG H H 1 7.657 0.006 . 1 . . . . 149 Arg H . 18977 1 801 . 1 1 149 149 ARG CA C 13 59.711 0.210 . 1 . . . . 149 Arg CA . 18977 1 802 . 1 1 149 149 ARG CB C 13 29.895 0.210 . 1 . . . . 149 Arg CB . 18977 1 803 . 1 1 149 149 ARG N N 15 120.887 0.120 . 1 . . . . 149 Arg N . 18977 1 804 . 1 1 151 151 ALA H H 1 7.556 0.006 . 1 . . . . 151 Ala H . 18977 1 805 . 1 1 151 151 ALA HA H 1 3.749 0.006 . 1 . . . . 151 Ala HA . 18977 1 806 . 1 1 151 151 ALA HB1 H 1 1.502 0.006 . 2 . . . . 151 Ala HB . 18977 1 807 . 1 1 151 151 ALA HB2 H 1 1.502 0.006 . 2 . . . . 151 Ala HB . 18977 1 808 . 1 1 151 151 ALA HB3 H 1 1.502 0.006 . 2 . . . . 151 Ala HB . 18977 1 809 . 1 1 151 151 ALA CA C 13 55.698 0.210 . 1 . . . . 151 Ala CA . 18977 1 810 . 1 1 151 151 ALA CB C 13 19.045 0.210 . 1 . . . . 151 Ala CB . 18977 1 811 . 1 1 151 151 ALA N N 15 124.026 0.120 . 1 . . . . 151 Ala N . 18977 1 812 . 1 1 152 152 SER H H 1 8.681 0.006 . 1 . . . . 152 Ser H . 18977 1 813 . 1 1 152 152 SER HA H 1 3.757 0.006 . 1 . . . . 152 Ser HA . 18977 1 814 . 1 1 152 152 SER HB2 H 1 3.652 0.006 . 2 . . . . 152 Ser HB . 18977 1 815 . 1 1 152 152 SER HB3 H 1 3.652 0.006 . 2 . . . . 152 Ser HB . 18977 1 816 . 1 1 152 152 SER CA C 13 62.150 0.210 . 1 . . . . 152 Ser CA . 18977 1 817 . 1 1 152 152 SER N N 15 113.233 0.120 . 1 . . . . 152 Ser N . 18977 1 818 . 1 1 153 153 ALA H H 1 7.820 0.006 . 1 . . . . 153 Ala H . 18977 1 819 . 1 1 153 153 ALA HA H 1 3.913 0.006 . 1 . . . . 153 Ala HA . 18977 1 820 . 1 1 153 153 ALA HB1 H 1 1.435 0.006 . 2 . . . . 153 Ala HB . 18977 1 821 . 1 1 153 153 ALA HB2 H 1 1.435 0.006 . 2 . . . . 153 Ala HB . 18977 1 822 . 1 1 153 153 ALA HB3 H 1 1.435 0.006 . 2 . . . . 153 Ala HB . 18977 1 823 . 1 1 153 153 ALA CA C 13 55.265 0.210 . 1 . . . . 153 Ala CA . 18977 1 824 . 1 1 153 153 ALA CB C 13 17.906 0.210 . 1 . . . . 153 Ala CB . 18977 1 825 . 1 1 153 153 ALA N N 15 122.700 0.120 . 1 . . . . 153 Ala N . 18977 1 826 . 1 1 154 154 TYR H H 1 7.758 0.006 . 1 . . . . 154 Tyr H . 18977 1 827 . 1 1 154 154 TYR HA H 1 3.824 0.006 . 1 . . . . 154 Tyr HA . 18977 1 828 . 1 1 154 154 TYR HB2 H 1 3.176 0.006 . 2 . . . . 154 Tyr HB2 . 18977 1 829 . 1 1 154 154 TYR HB3 H 1 2.626 0.006 . 2 . . . . 154 Tyr HB3 . 18977 1 830 . 1 1 154 154 TYR CA C 13 61.988 0.210 . 1 . . . . 154 Tyr CA . 18977 1 831 . 1 1 154 154 TYR CB C 13 37.760 0.210 . 1 . . . . 154 Tyr CB . 18977 1 832 . 1 1 154 154 TYR N N 15 118.288 0.120 . 1 . . . . 154 Tyr N . 18977 1 833 . 1 1 155 155 VAL H H 1 8.153 0.006 . 1 . . . . 155 Val H . 18977 1 834 . 1 1 155 155 VAL HA H 1 3.184 0.006 . 1 . . . . 155 Val HA . 18977 1 835 . 1 1 155 155 VAL CA C 13 66.325 0.210 . 1 . . . . 155 Val CA . 18977 1 836 . 1 1 155 155 VAL CB C 13 31.924 0.210 . 1 . . . . 155 Val CB . 18977 1 837 . 1 1 155 155 VAL N N 15 119.041 0.120 . 1 . . . . 155 Val N . 18977 1 838 . 1 1 156 156 ARG H H 1 8.289 0.006 . 1 . . . . 156 Arg H . 18977 1 839 . 1 1 156 156 ARG HA H 1 3.697 0.006 . 1 . . . . 156 Arg HA . 18977 1 840 . 1 1 156 156 ARG HB2 H 1 1.718 0.006 . 2 . . . . 156 Arg HB . 18977 1 841 . 1 1 156 156 ARG HB3 H 1 1.718 0.006 . 2 . . . . 156 Arg HB . 18977 1 842 . 1 1 156 156 ARG CA C 13 60.659 0.210 . 1 . . . . 156 Arg CA . 18977 1 843 . 1 1 156 156 ARG CB C 13 30.200 0.210 . 1 . . . . 156 Arg CB . 18977 1 844 . 1 1 156 156 ARG N N 15 115.691 0.120 . 1 . . . . 156 Arg N . 18977 1 845 . 1 1 157 157 GLY H H 1 7.154 0.006 . 1 . . . . 157 Gly H . 18977 1 846 . 1 1 157 157 GLY HA2 H 1 4.054 0.006 . 2 . . . . 157 Gly HA2 . 18977 1 847 . 1 1 157 157 GLY HA3 H 1 3.571 0.006 . 2 . . . . 157 Gly HA3 . 18977 1 848 . 1 1 157 157 GLY CA C 13 45.289 0.210 . 1 . . . . 157 Gly CA . 18977 1 849 . 1 1 157 157 GLY N N 15 104.576 0.120 . 1 . . . . 157 Gly N . 18977 1 850 . 1 1 158 158 ALA H H 1 6.920 0.006 . 1 . . . . 158 Ala H . 18977 1 851 . 1 1 158 158 ALA HA H 1 3.861 0.006 . 1 . . . . 158 Ala HA . 18977 1 852 . 1 1 158 158 ALA HB1 H 1 0.892 0.006 . 2 . . . . 158 Ala HB . 18977 1 853 . 1 1 158 158 ALA HB2 H 1 0.892 0.006 . 2 . . . . 158 Ala HB . 18977 1 854 . 1 1 158 158 ALA HB3 H 1 0.892 0.006 . 2 . . . . 158 Ala HB . 18977 1 855 . 1 1 158 158 ALA CA C 13 53.069 0.210 . 1 . . . . 158 Ala CA . 18977 1 856 . 1 1 158 158 ALA CB C 13 18.528 0.210 . 1 . . . . 158 Ala CB . 18977 1 857 . 1 1 158 158 ALA N N 15 123.365 0.120 . 1 . . . . 158 Ala N . 18977 1 858 . 1 1 159 159 ASP H H 1 8.876 0.006 . 1 . . . . 159 Asp H . 18977 1 859 . 1 1 159 159 ASP HA H 1 4.650 0.006 . 1 . . . . 159 Asp HA . 18977 1 860 . 1 1 159 159 ASP HB2 H 1 2.938 0.006 . 2 . . . . 159 Asp HB2 . 18977 1 861 . 1 1 159 159 ASP HB3 H 1 2.588 0.006 . 2 . . . . 159 Asp HB3 . 18977 1 862 . 1 1 159 159 ASP CA C 13 52.472 0.210 . 1 . . . . 159 Asp CA . 18977 1 863 . 1 1 159 159 ASP CB C 13 39.023 0.210 . 1 . . . . 159 Asp CB . 18977 1 864 . 1 1 159 159 ASP N N 15 122.595 0.120 . 1 . . . . 159 Asp N . 18977 1 865 . 1 1 160 160 VAL H H 1 7.908 0.006 . 1 . . . . 160 Val H . 18977 1 866 . 1 1 160 160 VAL HA H 1 3.318 0.006 . 1 . . . . 160 Val HA . 18977 1 867 . 1 1 160 160 VAL HB H 1 1.993 0.006 . 1 . . . . 160 Val HB . 18977 1 868 . 1 1 160 160 VAL CA C 13 66.813 0.210 . 1 . . . . 160 Val CA . 18977 1 869 . 1 1 160 160 VAL CB C 13 31.424 0.210 . 1 . . . . 160 Val CB . 18977 1 870 . 1 1 160 160 VAL N N 15 123.902 0.120 . 1 . . . . 160 Val N . 18977 1 871 . 1 1 161 161 ASP H H 1 8.332 0.006 . 1 . . . . 161 Asp H . 18977 1 872 . 1 1 161 161 ASP HA H 1 4.315 0.006 . 1 . . . . 161 Asp HA . 18977 1 873 . 1 1 161 161 ASP HB2 H 1 2.596 0.006 . 2 . . . . 161 Asp HB . 18977 1 874 . 1 1 161 161 ASP HB3 H 1 2.596 0.006 . 2 . . . . 161 Asp HB . 18977 1 875 . 1 1 161 161 ASP CA C 13 57.677 0.210 . 1 . . . . 161 Asp CA . 18977 1 876 . 1 1 161 161 ASP CB C 13 39.999 0.210 . 1 . . . . 161 Asp CB . 18977 1 877 . 1 1 161 161 ASP N N 15 119.997 0.120 . 1 . . . . 161 Asp N . 18977 1 878 . 1 1 162 162 GLY H H 1 8.196 0.006 . 1 . . . . 162 Gly H . 18977 1 879 . 1 1 162 162 GLY HA2 H 1 3.727 0.006 . 2 . . . . 162 Gly HA . 18977 1 880 . 1 1 162 162 GLY HA3 H 1 3.727 0.006 . 2 . . . . 162 Gly HA . 18977 1 881 . 1 1 162 162 GLY CA C 13 47.349 0.210 . 1 . . . . 162 Gly CA . 18977 1 882 . 1 1 162 162 GLY N N 15 108.903 0.120 . 1 . . . . 162 Gly N . 18977 1 883 . 1 1 163 163 LEU H H 1 8.121 0.006 . 1 . . . . 163 Leu H . 18977 1 884 . 1 1 163 163 LEU CA C 13 58.165 0.210 . 1 . . . . 163 Leu CA . 18977 1 885 . 1 1 163 163 LEU CB C 13 43.444 0.210 . 1 . . . . 163 Leu CB . 18977 1 886 . 1 1 163 163 LEU N N 15 123.360 0.120 . 1 . . . . 163 Leu N . 18977 1 887 . 1 1 164 164 ARG H H 1 8.276 0.006 . 1 . . . . 164 Arg H . 18977 1 888 . 1 1 164 164 ARG HA H 1 3.809 0.006 . 1 . . . . 164 Arg HA . 18977 1 889 . 1 1 164 164 ARG CA C 13 60.497 0.210 . 1 . . . . 164 Arg CA . 18977 1 890 . 1 1 164 164 ARG N N 15 117.473 0.120 . 1 . . . . 164 Arg N . 18977 1 891 . 1 1 165 165 LEU H H 1 7.846 0.006 . 1 . . . . 165 Leu H . 18977 1 892 . 1 1 165 165 LEU HA H 1 4.032 0.006 . 1 . . . . 165 Leu HA . 18977 1 893 . 1 1 165 165 LEU HB2 H 1 1.636 0.006 . 2 . . . . 165 Leu HB . 18977 1 894 . 1 1 165 165 LEU HB3 H 1 1.636 0.006 . 2 . . . . 165 Leu HB . 18977 1 895 . 1 1 165 165 LEU CA C 13 57.976 0.210 . 1 . . . . 165 Leu CA . 18977 1 896 . 1 1 165 165 LEU CB C 13 41.779 0.210 . 1 . . . . 165 Leu CB . 18977 1 897 . 1 1 165 165 LEU N N 15 120.744 0.120 . 1 . . . . 165 Leu N . 18977 1 898 . 1 1 166 166 ALA H H 1 7.879 0.006 . 1 . . . . 166 Ala H . 18977 1 899 . 1 1 166 166 ALA HA H 1 4.091 0.006 . 1 . . . . 166 Ala HA . 18977 1 900 . 1 1 166 166 ALA HB1 H 1 1.383 0.006 . 2 . . . . 166 Ala HB . 18977 1 901 . 1 1 166 166 ALA HB2 H 1 1.383 0.006 . 2 . . . . 166 Ala HB . 18977 1 902 . 1 1 166 166 ALA HB3 H 1 1.383 0.006 . 2 . . . . 166 Ala HB . 18977 1 903 . 1 1 166 166 ALA CA C 13 54.581 0.210 . 1 . . . . 166 Ala CA . 18977 1 904 . 1 1 166 166 ALA CB C 13 18.701 0.210 . 1 . . . . 166 Ala CB . 18977 1 905 . 1 1 166 166 ALA N N 15 121.363 0.120 . 1 . . . . 166 Ala N . 18977 1 906 . 1 1 167 167 MET H H 1 8.054 0.006 . 1 . . . . 167 Met H . 18977 1 907 . 1 1 167 167 MET HA H 1 4.203 0.006 . 1 . . . . 167 Met HA . 18977 1 908 . 1 1 167 167 MET CA C 13 56.620 0.210 . 1 . . . . 167 Met CA . 18977 1 909 . 1 1 167 167 MET CB C 13 31.388 0.210 . 1 . . . . 167 Met CB . 18977 1 910 . 1 1 167 167 MET N N 15 117.329 0.120 . 1 . . . . 167 Met N . 18977 1 911 . 1 1 168 168 ALA H H 1 7.642 0.006 . 1 . . . . 168 Ala H . 18977 1 912 . 1 1 168 168 ALA HA H 1 4.188 0.006 . 1 . . . . 168 Ala HA . 18977 1 913 . 1 1 168 168 ALA HB1 H 1 1.427 0.006 . 2 . . . . 168 Ala HB . 18977 1 914 . 1 1 168 168 ALA HB2 H 1 1.427 0.006 . 2 . . . . 168 Ala HB . 18977 1 915 . 1 1 168 168 ALA HB3 H 1 1.427 0.006 . 2 . . . . 168 Ala HB . 18977 1 916 . 1 1 168 168 ALA CA C 13 53.909 0.210 . 1 . . . . 168 Ala CA . 18977 1 917 . 1 1 168 168 ALA CB C 13 18.586 0.210 . 1 . . . . 168 Ala CB . 18977 1 918 . 1 1 168 168 ALA N N 15 121.298 0.120 . 1 . . . . 168 Ala N . 18977 1 919 . 1 1 169 169 ASN H H 1 7.988 0.006 . 1 . . . . 169 Asn H . 18977 1 920 . 1 1 169 169 ASN HA H 1 4.664 0.006 . 1 . . . . 169 Asn HA . 18977 1 921 . 1 1 169 169 ASN HB2 H 1 2.797 0.006 . 2 . . . . 169 Asn HB . 18977 1 922 . 1 1 169 169 ASN HB3 H 1 2.797 0.006 . 2 . . . . 169 Asn HB . 18977 1 923 . 1 1 169 169 ASN CA C 13 53.557 0.210 . 1 . . . . 169 Asn CA . 18977 1 924 . 1 1 169 169 ASN CB C 13 38.966 0.210 . 1 . . . . 169 Asn CB . 18977 1 925 . 1 1 169 169 ASN N N 15 115.510 0.120 . 1 . . . . 169 Asn N . 18977 1 926 . 1 1 170 170 GLY H H 1 7.962 0.006 . 1 . . . . 170 Gly H . 18977 1 927 . 1 1 170 170 GLY HA2 H 1 3.905 0.006 . 2 . . . . 170 Gly HA . 18977 1 928 . 1 1 170 170 GLY HA3 H 1 3.905 0.006 . 2 . . . . 170 Gly HA . 18977 1 929 . 1 1 170 170 GLY CA C 13 45.722 0.210 . 1 . . . . 170 Gly CA . 18977 1 930 . 1 1 170 170 GLY N N 15 108.364 0.120 . 1 . . . . 170 Gly N . 18977 1 931 . 1 1 171 171 GLU H H 1 8.161 0.006 . 1 . . . . 171 Glu H . 18977 1 932 . 1 1 171 171 GLU CA C 13 56.458 0.210 . 1 . . . . 171 Glu CA . 18977 1 933 . 1 1 171 171 GLU CB C 13 30.469 0.210 . 1 . . . . 171 Glu CB . 18977 1 934 . 1 1 171 171 GLU N N 15 120.132 0.120 . 1 . . . . 171 Glu N . 18977 1 935 . 1 1 172 172 CYS H H 1 7.908 0.006 . 1 . . . . 172 Cys H . 18977 1 936 . 1 1 172 172 CYS HA H 1 4.426 0.006 . 1 . . . . 172 Cys HA . 18977 1 937 . 1 1 172 172 CYS HB2 H 1 2.209 0.006 . 2 . . . . 172 Cys HB2 . 18977 1 938 . 1 1 172 172 CYS HB3 H 1 1.941 0.006 . 2 . . . . 172 Cys HB3 . 18977 1 939 . 1 1 172 172 CYS CA C 13 63.370 0.210 . 1 . . . . 172 Cys CA . 18977 1 940 . 1 1 172 172 CYS N N 15 121.696 0.120 . 1 . . . . 172 Cys N . 18977 1 941 . 1 1 173 173 SER H H 1 7.978 0.006 . 1 . . . . 173 Ser H . 18977 1 942 . 1 1 173 173 SER CA C 13 53.692 0.210 . 1 . . . . 173 Ser CA . 18977 1 943 . 1 1 173 173 SER CB C 13 64.857 0.210 . 1 . . . . 173 Ser CB . 18977 1 944 . 1 1 173 173 SER N N 15 122.099 0.120 . 1 . . . . 173 Ser N . 18977 1 945 . 1 1 175 175 SER H H 1 8.358 0.006 . 1 . . . . 175 Ser H . 18977 1 946 . 1 1 175 175 SER HA H 1 3.794 0.006 . 1 . . . . 175 Ser HA . 18977 1 947 . 1 1 175 175 SER HB2 H 1 4.352 0.006 . 2 . . . . 175 Ser HB . 18977 1 948 . 1 1 175 175 SER HB3 H 1 4.352 0.006 . 2 . . . . 175 Ser HB . 18977 1 949 . 1 1 175 175 SER CA C 13 58.464 0.210 . 1 . . . . 175 Ser CA . 18977 1 950 . 1 1 175 175 SER CB C 13 63.709 0.210 . 1 . . . . 175 Ser CB . 18977 1 951 . 1 1 175 175 SER N N 15 116.193 0.120 . 1 . . . . 175 Ser N . 18977 1 952 . 1 1 177 177 PHE H H 1 7.996 0.006 . 1 . . . . 177 Phe H . 18977 1 953 . 1 1 177 177 PHE HA H 1 4.568 0.006 . 1 . . . . 177 Phe HA . 18977 1 954 . 1 1 177 177 PHE HB2 H 1 3.139 0.006 . 2 . . . . 177 Phe HB2 . 18977 1 955 . 1 1 177 177 PHE HB3 H 1 2.849 0.006 . 2 . . . . 177 Phe HB3 . 18977 1 956 . 1 1 177 177 PHE CA C 13 57.336 0.210 . 1 . . . . 177 Phe CA . 18977 1 957 . 1 1 177 177 PHE CB C 13 39.425 0.210 . 1 . . . . 177 Phe CB . 18977 1 958 . 1 1 177 177 PHE N N 15 120.085 0.120 . 1 . . . . 177 Phe N . 18977 1 959 . 1 1 178 178 ALA H H 1 8.043 0.006 . 1 . . . . 178 Ala H . 18977 1 960 . 1 1 178 178 ALA HA H 1 4.248 0.006 . 1 . . . . 178 Ala HA . 18977 1 961 . 1 1 178 178 ALA HB1 H 1 1.316 0.006 . 2 . . . . 178 Ala HB . 18977 1 962 . 1 1 178 178 ALA HB2 H 1 1.316 0.006 . 2 . . . . 178 Ala HB . 18977 1 963 . 1 1 178 178 ALA HB3 H 1 1.316 0.006 . 2 . . . . 178 Ala HB . 18977 1 964 . 1 1 178 178 ALA CA C 13 52.342 0.210 . 1 . . . . 178 Ala CA . 18977 1 965 . 1 1 178 178 ALA CB C 13 19.447 0.210 . 1 . . . . 178 Ala CB . 18977 1 966 . 1 1 178 178 ALA N N 15 124.198 0.120 . 1 . . . . 178 Ala N . 18977 1 967 . 1 1 179 179 LEU H H 1 8.182 0.006 . 1 . . . . 179 Leu H . 18977 1 968 . 1 1 179 179 LEU HA H 1 4.278 0.006 . 1 . . . . 179 Leu HA . 18977 1 969 . 1 1 179 179 LEU HB2 H 1 1.584 0.006 . 2 . . . . 179 Leu HB . 18977 1 970 . 1 1 179 179 LEU HB3 H 1 1.584 0.006 . 2 . . . . 179 Leu HB . 18977 1 971 . 1 1 179 179 LEU CA C 13 55.238 0.210 . 1 . . . . 179 Leu CA . 18977 1 972 . 1 1 179 179 LEU CB C 13 42.123 0.210 . 1 . . . . 179 Leu CB . 18977 1 973 . 1 1 179 179 LEU N N 15 121.632 0.120 . 1 . . . . 179 Leu N . 18977 1 974 . 1 1 180 180 CYS H H 1 7.809 0.006 . 1 . . . . 180 Cys H . 18977 1 975 . 1 1 180 180 CYS CA C 13 59.250 0.210 . 1 . . . . 180 Cys CA . 18977 1 976 . 1 1 180 180 CYS CB C 13 29.149 0.210 . 1 . . . . 180 Cys CB . 18977 1 977 . 1 1 180 180 CYS N N 15 123.257 0.120 . 1 . . . . 180 Cys N . 18977 1 978 . 1 1 182 182 VAL H H 1 7.913 0.006 . 1 . . . . 182 Val H . 18977 1 979 . 1 1 182 182 VAL CA C 13 62.630 0.210 . 1 . . . . 182 Val CA . 18977 1 980 . 1 1 182 182 VAL CB C 13 32.592 0.210 . 1 . . . . 182 Val CB . 18977 1 981 . 1 1 182 182 VAL N N 15 121.718 0.120 . 1 . . . . 182 Val N . 18977 1 982 . 1 1 183 183 ARG H H 1 8.375 0.006 . 1 . . . . 183 Arg H . 18977 1 983 . 1 1 183 183 ARG N N 15 123.298 0.120 . 1 . . . . 183 Arg N . 18977 1 984 . 1 1 184 184 GLU H H 1 8.309 0.006 . 1 . . . . 184 Glu H . 18977 1 985 . 1 1 184 184 GLU N N 15 121.485 0.120 . 1 . . . . 184 Glu N . 18977 1 986 . 1 1 185 185 TRP H H 1 7.933 0.006 . 1 . . . . 185 Trp H . 18977 1 987 . 1 1 185 185 TRP CA C 13 57.976 0.210 . 1 . . . . 185 Trp CA . 18977 1 988 . 1 1 185 185 TRP CB C 13 29.199 0.210 . 1 . . . . 185 Trp CB . 18977 1 989 . 1 1 185 185 TRP N N 15 120.662 0.120 . 1 . . . . 185 Trp N . 18977 1 990 . 1 1 186 186 MET H H 1 7.879 0.006 . 1 . . . . 186 Met H . 18977 1 991 . 1 1 186 186 MET N N 15 121.411 0.120 . 1 . . . . 186 Met N . 18977 1 992 . 1 1 187 187 ALA H H 1 7.959 0.006 . 1 . . . . 187 Ala H . 18977 1 993 . 1 1 187 187 ALA N N 15 123.578 0.120 . 1 . . . . 187 Ala N . 18977 1 994 . 1 1 189 189 ALA H H 1 8.072 0.006 . 1 . . . . 189 Ala H . 18977 1 995 . 1 1 189 189 ALA N N 15 124.354 0.120 . 1 . . . . 189 Ala N . 18977 1 996 . 1 1 190 190 LEU H H 1 8.074 0.006 . 1 . . . . 190 Leu H . 18977 1 997 . 1 1 190 190 LEU N N 15 120.466 0.120 . 1 . . . . 190 Leu N . 18977 1 998 . 1 1 191 191 ASP H H 1 8.130 0.006 . 1 . . . . 191 Asp H . 18977 1 999 . 1 1 191 191 ASP N N 15 120.416 0.120 . 1 . . . . 191 Asp N . 18977 1 1000 . 1 1 192 192 ARG H H 1 7.959 0.006 . 1 . . . . 192 Arg H . 18977 1 1001 . 1 1 192 192 ARG N N 15 122.128 0.120 . 1 . . . . 192 Arg N . 18977 1 stop_ save_