data_4897 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4897 _Entry.Title ; Sequential assignment, secondary structure and binding site of the carbohydrate-binding domain of papg from Uropathogenic E.coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-11-08 _Entry.Accession_date 2000-11-08 _Entry.Last_release_date 2001-02-27 _Entry.Original_release_date 2001-02-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Mei-an Sung . . . 4897 2 'Ho An' Chen . . . 4897 3 Stephen Matthews . . . 4897 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4897 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 569 4897 '15N chemical shifts' 184 4897 '1H chemical shifts' 184 4897 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 . . 2001-02-27 2000-11-08 original author . 4897 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4897 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequential assignment and secondary structure of the triple-labelled carbohydrate-binding domain of papG from uropathogenic E. coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 197 _Citation.Page_last 198 _Citation.Year 2001 _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 Mei-an Sung . . . 4897 1 2 'Ho An' Chen . . . 4897 1 3 Stephen Matthews . . . 4897 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Deuteration 4897 1 papG 4897 1 'Triple resonance NMR' 4897 1 'Uropathogenic E.coli' 4897 1 stop_ save_ save_ref_AURELIA _Citation.Sf_category citations _Citation.Sf_framecode ref_AURELIA _Citation.Entry_ID 4897 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; "AURELIA, A Program for computer-aided analysis of multidimensional NMR-spectra," K.-P. Neidig, M. Geyer, A. Gorler, C. Antz, R. Saffrich, W. Beneicke, H. R. Kalbitzer, J. Biomol. NMR 6 255 (1995) ; _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue 3 _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 255 _Citation.Page_last 270 _Citation.Year 1995 _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 K. Neidig . P. . 4897 2 2 M. Geyer . . . 4897 2 3 A. Gorler . . . 4897 2 4 C. Antz . . . 4897 2 5 R. Saffrich . . . 4897 2 6 W. Beneicke . . . 4897 2 7 H. Kalbitzer . R. . 4897 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_papG _Assembly.Sf_category assembly _Assembly.Sf_framecode system_papG _Assembly.Entry_ID 4897 _Assembly.ID 1 _Assembly.Name 'Pilus Associated with Pyelonephritis subunit G' _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4897 1 stop_ 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 papG 1 $papGII . . . native . . . . . 4897 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1QUN . . . . . ; In PDB entry 1QUN, FimH is the adhesin located on type 1 plli. It shares little sequence homology with papG. However, both acts as bacterial adhesin and both recognizes sugar moiety on host cell. It recognizes mannose while papG recognizes galabiose. ; 4897 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID papG abbreviation 4897 1 'Pilus Associated with Pyelonephritis subunit G' system 4897 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'bacterial adhesin' 4897 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_papGII _Entity.Sf_category entity _Entity.Sf_framecode papGII _Entity.Entry_ID 4897 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name papG _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 ; WNNIVFYSLGNVNSYQGGNV VITQRPQFITSWRPGIATVT WNQCNGPEFADGSWAYYREY IAWVVFPKKVMTQNGYPLFI EVHNKGSWSEENTGDNDSYF FLKGYKWDERAFDAGNLCQK PGETTRLTEKFDDIIFKVAL PADLPLGDYSVTIPYTSGIQ RHFASYLGARFKIPYNVAKT LPRENEMLFLFKNIGGLE ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 198 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22729.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The molecule studied is the N-terminus truncation of papGII' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 EMBL CAA43555 . "papG protein [Escherichia coli]" . . . . . 100.00 336 97.47 98.48 1.98e-140 . . . . 4897 1 2 no EMBL CAR04491 . "Fimbrial PapG protein (P pilus class II adhesin) (PapGII) [Escherichia coli S88]" . . . . . 100.00 336 96.97 97.98 2.49e-139 . . . . 4897 1 3 no EMBL CCP97646 . "PapG protein [Escherichia coli O10:K5(L):H4 str. ATCC 23506]" . . . . . 100.00 336 97.47 98.99 1.51e-140 . . . . 4897 1 4 no GB AAA24293 . "papG protein [Escherichia coli]" . . . . . 100.51 337 98.49 98.49 1.23e-140 . . . . 4897 1 5 no GB AAL67407 . "PapG [Escherichia coli]" . . . . . 100.00 336 97.98 98.48 3.20e-141 . . . . 4897 1 6 no GB AAN82031 . "PapG protein [Escherichia coli CFT073]" . . . . . 100.00 336 97.98 98.99 2.96e-141 . . . . 4897 1 7 no GB AAN83601 . "PapG protein [Escherichia coli CFT073]" . . . . . 100.00 336 97.98 98.48 3.20e-141 . . . . 4897 1 8 no GB AAP48795 . "PapGII [Escherichia coli]" . . . . . 100.00 336 96.97 97.98 2.49e-139 . . . . 4897 1 9 no REF NP_755458 . "PapG protein [Escherichia coli CFT073]" . . . . . 100.00 336 97.98 98.99 2.96e-141 . . . . 4897 1 10 no REF NP_757027 . "PapG protein [Escherichia coli CFT073]" . . . . . 100.00 336 97.98 98.48 3.20e-141 . . . . 4897 1 11 no REF WP_000758683 . "fimbrial protein [Escherichia coli]" . . . . . 100.00 336 97.98 98.99 2.96e-141 . . . . 4897 1 12 no REF WP_000758684 . "fimbrial protein [Escherichia coli]" . . . . . 100.00 336 97.98 98.48 3.20e-141 . . . . 4897 1 13 no REF WP_000758685 . "fimbrial protein [Escherichia coli]" . . . . . 100.00 336 96.97 97.98 2.49e-139 . . . . 4897 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Class II papG' variant 4897 1 papG common 4897 1 papGII abbreviation 4897 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 . TRP . 4897 1 2 . ASN . 4897 1 3 . ASN . 4897 1 4 . ILE . 4897 1 5 . VAL . 4897 1 6 . PHE . 4897 1 7 . TYR . 4897 1 8 . SER . 4897 1 9 . LEU . 4897 1 10 . GLY . 4897 1 11 . ASN . 4897 1 12 . VAL . 4897 1 13 . ASN . 4897 1 14 . SER . 4897 1 15 . TYR . 4897 1 16 . GLN . 4897 1 17 . GLY . 4897 1 18 . GLY . 4897 1 19 . ASN . 4897 1 20 . VAL . 4897 1 21 . VAL . 4897 1 22 . ILE . 4897 1 23 . THR . 4897 1 24 . GLN . 4897 1 25 . ARG . 4897 1 26 . PRO . 4897 1 27 . GLN . 4897 1 28 . PHE . 4897 1 29 . ILE . 4897 1 30 . THR . 4897 1 31 . SER . 4897 1 32 . TRP . 4897 1 33 . ARG . 4897 1 34 . PRO . 4897 1 35 . GLY . 4897 1 36 . ILE . 4897 1 37 . ALA . 4897 1 38 . THR . 4897 1 39 . VAL . 4897 1 40 . THR . 4897 1 41 . TRP . 4897 1 42 . ASN . 4897 1 43 . GLN . 4897 1 44 . CYS . 4897 1 45 . ASN . 4897 1 46 . GLY . 4897 1 47 . PRO . 4897 1 48 . GLU . 4897 1 49 . PHE . 4897 1 50 . ALA . 4897 1 51 . ASP . 4897 1 52 . GLY . 4897 1 53 . SER . 4897 1 54 . TRP . 4897 1 55 . ALA . 4897 1 56 . TYR . 4897 1 57 . TYR . 4897 1 58 . ARG . 4897 1 59 . GLU . 4897 1 60 . TYR . 4897 1 61 . ILE . 4897 1 62 . ALA . 4897 1 63 . TRP . 4897 1 64 . VAL . 4897 1 65 . VAL . 4897 1 66 . PHE . 4897 1 67 . PRO . 4897 1 68 . LYS . 4897 1 69 . LYS . 4897 1 70 . VAL . 4897 1 71 . MET . 4897 1 72 . THR . 4897 1 73 . GLN . 4897 1 74 . ASN . 4897 1 75 . GLY . 4897 1 76 . TYR . 4897 1 77 . PRO . 4897 1 78 . LEU . 4897 1 79 . PHE . 4897 1 80 . ILE . 4897 1 81 . GLU . 4897 1 82 . VAL . 4897 1 83 . HIS . 4897 1 84 . ASN . 4897 1 85 . LYS . 4897 1 86 . GLY . 4897 1 87 . SER . 4897 1 88 . TRP . 4897 1 89 . SER . 4897 1 90 . GLU . 4897 1 91 . GLU . 4897 1 92 . ASN . 4897 1 93 . THR . 4897 1 94 . GLY . 4897 1 95 . ASP . 4897 1 96 . ASN . 4897 1 97 . ASP . 4897 1 98 . SER . 4897 1 99 . TYR . 4897 1 100 . PHE . 4897 1 101 . PHE . 4897 1 102 . LEU . 4897 1 103 . LYS . 4897 1 104 . GLY . 4897 1 105 . TYR . 4897 1 106 . LYS . 4897 1 107 . TRP . 4897 1 108 . ASP . 4897 1 109 . GLU . 4897 1 110 . ARG . 4897 1 111 . ALA . 4897 1 112 . PHE . 4897 1 113 . ASP . 4897 1 114 . ALA . 4897 1 115 . GLY . 4897 1 116 . ASN . 4897 1 117 . LEU . 4897 1 118 . CYS . 4897 1 119 . GLN . 4897 1 120 . LYS . 4897 1 121 . PRO . 4897 1 122 . GLY . 4897 1 123 . GLU . 4897 1 124 . THR . 4897 1 125 . THR . 4897 1 126 . ARG . 4897 1 127 . LEU . 4897 1 128 . THR . 4897 1 129 . GLU . 4897 1 130 . LYS . 4897 1 131 . PHE . 4897 1 132 . ASP . 4897 1 133 . ASP . 4897 1 134 . ILE . 4897 1 135 . ILE . 4897 1 136 . PHE . 4897 1 137 . LYS . 4897 1 138 . VAL . 4897 1 139 . ALA . 4897 1 140 . LEU . 4897 1 141 . PRO . 4897 1 142 . ALA . 4897 1 143 . ASP . 4897 1 144 . LEU . 4897 1 145 . PRO . 4897 1 146 . LEU . 4897 1 147 . GLY . 4897 1 148 . ASP . 4897 1 149 . TYR . 4897 1 150 . SER . 4897 1 151 . VAL . 4897 1 152 . THR . 4897 1 153 . ILE . 4897 1 154 . PRO . 4897 1 155 . TYR . 4897 1 156 . THR . 4897 1 157 . SER . 4897 1 158 . GLY . 4897 1 159 . ILE . 4897 1 160 . GLN . 4897 1 161 . ARG . 4897 1 162 . HIS . 4897 1 163 . PHE . 4897 1 164 . ALA . 4897 1 165 . SER . 4897 1 166 . TYR . 4897 1 167 . LEU . 4897 1 168 . GLY . 4897 1 169 . ALA . 4897 1 170 . ARG . 4897 1 171 . PHE . 4897 1 172 . LYS . 4897 1 173 . ILE . 4897 1 174 . PRO . 4897 1 175 . TYR . 4897 1 176 . ASN . 4897 1 177 . VAL . 4897 1 178 . ALA . 4897 1 179 . LYS . 4897 1 180 . THR . 4897 1 181 . LEU . 4897 1 182 . PRO . 4897 1 183 . ARG . 4897 1 184 . GLU . 4897 1 185 . ASN . 4897 1 186 . GLU . 4897 1 187 . MET . 4897 1 188 . LEU . 4897 1 189 . PHE . 4897 1 190 . LEU . 4897 1 191 . PHE . 4897 1 192 . LYS . 4897 1 193 . ASN . 4897 1 194 . ILE . 4897 1 195 . GLY . 4897 1 196 . GLY . 4897 1 197 . LEU . 4897 1 198 . GLU . 4897 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 . TRP 1 1 4897 1 . ASN 2 2 4897 1 . ASN 3 3 4897 1 . ILE 4 4 4897 1 . VAL 5 5 4897 1 . PHE 6 6 4897 1 . TYR 7 7 4897 1 . SER 8 8 4897 1 . LEU 9 9 4897 1 . GLY 10 10 4897 1 . ASN 11 11 4897 1 . VAL 12 12 4897 1 . ASN 13 13 4897 1 . SER 14 14 4897 1 . TYR 15 15 4897 1 . GLN 16 16 4897 1 . GLY 17 17 4897 1 . GLY 18 18 4897 1 . ASN 19 19 4897 1 . VAL 20 20 4897 1 . VAL 21 21 4897 1 . ILE 22 22 4897 1 . THR 23 23 4897 1 . GLN 24 24 4897 1 . ARG 25 25 4897 1 . PRO 26 26 4897 1 . GLN 27 27 4897 1 . PHE 28 28 4897 1 . ILE 29 29 4897 1 . THR 30 30 4897 1 . SER 31 31 4897 1 . TRP 32 32 4897 1 . ARG 33 33 4897 1 . PRO 34 34 4897 1 . GLY 35 35 4897 1 . ILE 36 36 4897 1 . ALA 37 37 4897 1 . THR 38 38 4897 1 . VAL 39 39 4897 1 . THR 40 40 4897 1 . TRP 41 41 4897 1 . ASN 42 42 4897 1 . GLN 43 43 4897 1 . CYS 44 44 4897 1 . ASN 45 45 4897 1 . GLY 46 46 4897 1 . PRO 47 47 4897 1 . GLU 48 48 4897 1 . PHE 49 49 4897 1 . ALA 50 50 4897 1 . ASP 51 51 4897 1 . GLY 52 52 4897 1 . SER 53 53 4897 1 . TRP 54 54 4897 1 . ALA 55 55 4897 1 . TYR 56 56 4897 1 . TYR 57 57 4897 1 . ARG 58 58 4897 1 . GLU 59 59 4897 1 . TYR 60 60 4897 1 . ILE 61 61 4897 1 . ALA 62 62 4897 1 . TRP 63 63 4897 1 . VAL 64 64 4897 1 . VAL 65 65 4897 1 . PHE 66 66 4897 1 . PRO 67 67 4897 1 . LYS 68 68 4897 1 . LYS 69 69 4897 1 . VAL 70 70 4897 1 . MET 71 71 4897 1 . THR 72 72 4897 1 . GLN 73 73 4897 1 . ASN 74 74 4897 1 . GLY 75 75 4897 1 . TYR 76 76 4897 1 . PRO 77 77 4897 1 . LEU 78 78 4897 1 . PHE 79 79 4897 1 . ILE 80 80 4897 1 . GLU 81 81 4897 1 . VAL 82 82 4897 1 . HIS 83 83 4897 1 . ASN 84 84 4897 1 . LYS 85 85 4897 1 . GLY 86 86 4897 1 . SER 87 87 4897 1 . TRP 88 88 4897 1 . SER 89 89 4897 1 . GLU 90 90 4897 1 . GLU 91 91 4897 1 . ASN 92 92 4897 1 . THR 93 93 4897 1 . GLY 94 94 4897 1 . ASP 95 95 4897 1 . ASN 96 96 4897 1 . ASP 97 97 4897 1 . SER 98 98 4897 1 . TYR 99 99 4897 1 . PHE 100 100 4897 1 . PHE 101 101 4897 1 . LEU 102 102 4897 1 . LYS 103 103 4897 1 . GLY 104 104 4897 1 . TYR 105 105 4897 1 . LYS 106 106 4897 1 . TRP 107 107 4897 1 . ASP 108 108 4897 1 . GLU 109 109 4897 1 . ARG 110 110 4897 1 . ALA 111 111 4897 1 . PHE 112 112 4897 1 . ASP 113 113 4897 1 . ALA 114 114 4897 1 . GLY 115 115 4897 1 . ASN 116 116 4897 1 . LEU 117 117 4897 1 . CYS 118 118 4897 1 . GLN 119 119 4897 1 . LYS 120 120 4897 1 . PRO 121 121 4897 1 . GLY 122 122 4897 1 . GLU 123 123 4897 1 . THR 124 124 4897 1 . THR 125 125 4897 1 . ARG 126 126 4897 1 . LEU 127 127 4897 1 . THR 128 128 4897 1 . GLU 129 129 4897 1 . LYS 130 130 4897 1 . PHE 131 131 4897 1 . ASP 132 132 4897 1 . ASP 133 133 4897 1 . ILE 134 134 4897 1 . ILE 135 135 4897 1 . PHE 136 136 4897 1 . LYS 137 137 4897 1 . VAL 138 138 4897 1 . ALA 139 139 4897 1 . LEU 140 140 4897 1 . PRO 141 141 4897 1 . ALA 142 142 4897 1 . ASP 143 143 4897 1 . LEU 144 144 4897 1 . PRO 145 145 4897 1 . LEU 146 146 4897 1 . GLY 147 147 4897 1 . ASP 148 148 4897 1 . TYR 149 149 4897 1 . SER 150 150 4897 1 . VAL 151 151 4897 1 . THR 152 152 4897 1 . ILE 153 153 4897 1 . PRO 154 154 4897 1 . TYR 155 155 4897 1 . THR 156 156 4897 1 . SER 157 157 4897 1 . GLY 158 158 4897 1 . ILE 159 159 4897 1 . GLN 160 160 4897 1 . ARG 161 161 4897 1 . HIS 162 162 4897 1 . PHE 163 163 4897 1 . ALA 164 164 4897 1 . SER 165 165 4897 1 . TYR 166 166 4897 1 . LEU 167 167 4897 1 . GLY 168 168 4897 1 . ALA 169 169 4897 1 . ARG 170 170 4897 1 . PHE 171 171 4897 1 . LYS 172 172 4897 1 . ILE 173 173 4897 1 . PRO 174 174 4897 1 . TYR 175 175 4897 1 . ASN 176 176 4897 1 . VAL 177 177 4897 1 . ALA 178 178 4897 1 . LYS 179 179 4897 1 . THR 180 180 4897 1 . LEU 181 181 4897 1 . PRO 182 182 4897 1 . ARG 183 183 4897 1 . GLU 184 184 4897 1 . ASN 185 185 4897 1 . GLU 186 186 4897 1 . MET 187 187 4897 1 . LEU 188 188 4897 1 . PHE 189 189 4897 1 . LEU 190 190 4897 1 . PHE 191 191 4897 1 . LYS 192 192 4897 1 . ASN 193 193 4897 1 . ILE 194 194 4897 1 . GLY 195 195 4897 1 . GLY 196 196 4897 1 . LEU 197 197 4897 1 . GLU 198 198 4897 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4897 _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 $papGII . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli DS17 . . . . . . . . P-pilli . . extra-cellular . 'pap operon' . papg . . . . 4897 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 4897 _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 $papGII . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4897 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 4897 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 papG '[U-99% 13C; U-99% 15N; U-90% 2H]' . . 1 $papGII . . 1.0 . . mM . . . . 4897 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4897 _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' 0.03 . M 4897 1 pH 5.2 0.1 n/a 4897 1 pressure 1 . atm 4897 1 temperature 310 0.1 K 4897 1 stop_ save_ ############################ # Computer software used # ############################ save_Aurelia _Software.Sf_category software _Software.Sf_framecode Aurelia _Software.Entry_ID 4897 _Software.ID 1 _Software.Name AURELIA _Software.Version 2.1.1 _Software.Details 'Bruker software' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'sequence assignments' 4897 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_AURELIA 4897 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4897 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4897 _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 NMR_spectrometer Bruker DRX . 500 . . . 4897 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 4897 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4897 1 2 d-HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4897 1 3 d-HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4897 1 4 d-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4897 1 5 d-HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4897 1 6 d-HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4897 1 7 d-HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4897 1 8 'z-shielded gradient, triple-resonance probe was equipped' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4897 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4897 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4897 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name d-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4897 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name d-HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4897 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name d-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4897 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name d-HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4897 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name d-HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4897 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name d-HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4897 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'z-shielded gradient, triple-resonance probe was equipped' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4897 _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 0.0 . indirect 0.251449530 . . . . . . . . . 4897 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4897 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 4897 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4897 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_papgII_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode papgII_shift_1 _Assigned_chem_shift_list.Entry_ID 4897 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '1H-15N HSQC' 1 $Sample_1 . 4897 1 2 d-HNCA 1 $Sample_1 . 4897 1 3 d-HN(CO)CA 1 $Sample_1 . 4897 1 4 d-HNCO 1 $Sample_1 . 4897 1 5 d-HN(CA)CO 1 $Sample_1 . 4897 1 6 d-HN(CA)CB 1 $Sample_1 . 4897 1 7 d-HN(COCA)CB 1 $Sample_1 . 4897 1 8 'z-shielded gradient, triple-resonance probe was equipped' 1 $Sample_1 . 4897 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 TRP H H 1 7.94 0.01 . 1 . . . . . . . . 4897 1 2 . 1 1 1 1 TRP N N 15 114.7 0.2 . 1 . . . . . . . . 4897 1 3 . 1 1 1 1 TRP CA C 13 54.9 0.2 . 1 . . . . . . . . 4897 1 4 . 1 1 1 1 TRP C C 13 174.2 0.2 . 1 . . . . . . . . 4897 1 5 . 1 1 2 2 ASN H H 1 9.63 0.01 . 1 . . . . . . . . 4897 1 6 . 1 1 2 2 ASN N N 15 114.6 0.2 . 1 . . . . . . . . 4897 1 7 . 1 1 2 2 ASN CA C 13 54.3 0.2 . 1 . . . . . . . . 4897 1 8 . 1 1 2 2 ASN C C 13 172.8 0.2 . 1 . . . . . . . . 4897 1 9 . 1 1 3 3 ASN H H 1 10.47 0.01 . 1 . . . . . . . . 4897 1 10 . 1 1 3 3 ASN N N 15 123.8 0.2 . 1 . . . . . . . . 4897 1 11 . 1 1 3 3 ASN CA C 13 51.2 0.2 . 1 . . . . . . . . 4897 1 12 . 1 1 3 3 ASN CB C 13 40.8 0.2 . 1 . . . . . . . . 4897 1 13 . 1 1 3 3 ASN C C 13 173.8 0.2 . 1 . . . . . . . . 4897 1 14 . 1 1 4 4 ILE H H 1 9.47 0.01 . 1 . . . . . . . . 4897 1 15 . 1 1 4 4 ILE N N 15 123.7 0.2 . 1 . . . . . . . . 4897 1 16 . 1 1 4 4 ILE CA C 13 60.7 0.2 . 1 . . . . . . . . 4897 1 17 . 1 1 4 4 ILE CB C 13 39.0 0.2 . 1 . . . . . . . . 4897 1 18 . 1 1 4 4 ILE C C 13 173.7 0.2 . 1 . . . . . . . . 4897 1 19 . 1 1 5 5 VAL H H 1 9.24 0.01 . 1 . . . . . . . . 4897 1 20 . 1 1 5 5 VAL N N 15 125.9 0.2 . 1 . . . . . . . . 4897 1 21 . 1 1 5 5 VAL CA C 13 61.0 0.2 . 1 . . . . . . . . 4897 1 22 . 1 1 5 5 VAL CB C 13 35.5 0.2 . 1 . . . . . . . . 4897 1 23 . 1 1 5 5 VAL C C 13 174.3 0.2 . 1 . . . . . . . . 4897 1 24 . 1 1 6 6 PHE H H 1 9.14 0.01 . 1 . . . . . . . . 4897 1 25 . 1 1 6 6 PHE N N 15 126.4 0.2 . 1 . . . . . . . . 4897 1 26 . 1 1 6 6 PHE CA C 13 57.6 0.2 . 1 . . . . . . . . 4897 1 27 . 1 1 6 6 PHE CB C 13 41.4 0.2 . 1 . . . . . . . . 4897 1 28 . 1 1 6 6 PHE C C 13 172.8 0.2 . 1 . . . . . . . . 4897 1 29 . 1 1 7 7 TYR H H 1 8.40 0.01 . 1 . . . . . . . . 4897 1 30 . 1 1 7 7 TYR N N 15 126.1 0.2 . 1 . . . . . . . . 4897 1 31 . 1 1 7 7 TYR CA C 13 57.3 0.2 . 1 . . . . . . . . 4897 1 32 . 1 1 7 7 TYR CB C 13 38.7 0.2 . 1 . . . . . . . . 4897 1 33 . 1 1 7 7 TYR C C 13 173.0 0.2 . 1 . . . . . . . . 4897 1 34 . 1 1 8 8 SER H H 1 9.04 0.01 . 1 . . . . . . . . 4897 1 35 . 1 1 8 8 SER N N 15 117.4 0.2 . 1 . . . . . . . . 4897 1 36 . 1 1 8 8 SER CA C 13 56.6 0.2 . 1 . . . . . . . . 4897 1 37 . 1 1 8 8 SER CB C 13 73.9 0.2 . 1 . . . . . . . . 4897 1 38 . 1 1 8 8 SER C C 13 175.6 0.2 . 1 . . . . . . . . 4897 1 39 . 1 1 9 9 LEU H H 1 8.77 0.01 . 1 . . . . . . . . 4897 1 40 . 1 1 9 9 LEU N N 15 131.5 0.2 . 1 . . . . . . . . 4897 1 41 . 1 1 9 9 LEU CA C 13 54.1 0.2 . 1 . . . . . . . . 4897 1 42 . 1 1 9 9 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4897 1 43 . 1 1 9 9 LEU C C 13 174.7 0.2 . 1 . . . . . . . . 4897 1 44 . 1 1 10 10 GLY H H 1 8.13 0.01 . 1 . . . . . . . . 4897 1 45 . 1 1 10 10 GLY N N 15 105.6 0.2 . 1 . . . . . . . . 4897 1 46 . 1 1 10 10 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 4897 1 47 . 1 1 10 10 GLY C C 13 173.7 0.2 . 1 . . . . . . . . 4897 1 48 . 1 1 11 11 ASN H H 1 8.31 0.01 . 1 . . . . . . . . 4897 1 49 . 1 1 11 11 ASN N N 15 119.8 0.2 . 1 . . . . . . . . 4897 1 50 . 1 1 11 11 ASN CA C 13 52.9 0.2 . 1 . . . . . . . . 4897 1 51 . 1 1 11 11 ASN CB C 13 40.5 0.2 . 1 . . . . . . . . 4897 1 52 . 1 1 11 11 ASN C C 13 173.8 0.2 . 1 . . . . . . . . 4897 1 53 . 1 1 12 12 VAL H H 1 8.39 0.01 . 1 . . . . . . . . 4897 1 54 . 1 1 12 12 VAL N N 15 119.7 0.2 . 1 . . . . . . . . 4897 1 55 . 1 1 12 12 VAL CA C 13 61.0 0.2 . 1 . . . . . . . . 4897 1 56 . 1 1 12 12 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 4897 1 57 . 1 1 12 12 VAL C C 13 175.3 0.2 . 1 . . . . . . . . 4897 1 58 . 1 1 13 13 ASN H H 1 8.68 0.01 . 1 . . . . . . . . 4897 1 59 . 1 1 13 13 ASN N N 15 123.7 0.2 . 1 . . . . . . . . 4897 1 60 . 1 1 13 13 ASN CA C 13 51.8 0.2 . 1 . . . . . . . . 4897 1 61 . 1 1 13 13 ASN CB C 13 42.7 0.2 . 1 . . . . . . . . 4897 1 62 . 1 1 13 13 ASN C C 13 173.1 0.2 . 1 . . . . . . . . 4897 1 63 . 1 1 14 14 SER H H 1 8.70 0.01 . 1 . . . . . . . . 4897 1 64 . 1 1 14 14 SER N N 15 114.3 0.2 . 1 . . . . . . . . 4897 1 65 . 1 1 14 14 SER CA C 13 56.6 0.2 . 1 . . . . . . . . 4897 1 66 . 1 1 14 14 SER CB C 13 65.3 0.2 . 1 . . . . . . . . 4897 1 67 . 1 1 14 14 SER C C 13 173.5 0.2 . 1 . . . . . . . . 4897 1 68 . 1 1 15 15 TYR H H 1 9.19 0.01 . 1 . . . . . . . . 4897 1 69 . 1 1 15 15 TYR N N 15 124.0 0.2 . 1 . . . . . . . . 4897 1 70 . 1 1 15 15 TYR CA C 13 58.2 0.2 . 1 . . . . . . . . 4897 1 71 . 1 1 15 15 TYR CB C 13 42.4 0.2 . 1 . . . . . . . . 4897 1 72 . 1 1 15 15 TYR C C 13 173.2 0.2 . 1 . . . . . . . . 4897 1 73 . 1 1 16 16 GLN H H 1 8.13 0.01 . 1 . . . . . . . . 4897 1 74 . 1 1 16 16 GLN N N 15 127.2 0.2 . 1 . . . . . . . . 4897 1 75 . 1 1 16 16 GLN CA C 13 54.1 0.2 . 1 . . . . . . . . 4897 1 76 . 1 1 16 16 GLN CB C 13 28.4 0.2 . 1 . . . . . . . . 4897 1 77 . 1 1 16 16 GLN C C 13 174.5 0.2 . 1 . . . . . . . . 4897 1 78 . 1 1 17 17 GLY H H 1 10.08 0.01 . 1 . . . . . . . . 4897 1 79 . 1 1 17 17 GLY N N 15 116.0 0.2 . 1 . . . . . . . . 4897 1 80 . 1 1 17 17 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 4897 1 81 . 1 1 17 17 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 4897 1 82 . 1 1 18 18 GLY H H 1 8.80 0.01 . 1 . . . . . . . . 4897 1 83 . 1 1 18 18 GLY N N 15 107.8 0.2 . 1 . . . . . . . . 4897 1 84 . 1 1 18 18 GLY CA C 13 44.5 0.2 . 1 . . . . . . . . 4897 1 85 . 1 1 18 18 GLY C C 13 172.7 0.2 . 1 . . . . . . . . 4897 1 86 . 1 1 19 19 ASN H H 1 8.40 0.01 . 1 . . . . . . . . 4897 1 87 . 1 1 19 19 ASN N N 15 119.3 0.2 . 1 . . . . . . . . 4897 1 88 . 1 1 19 19 ASN CA C 13 52.1 0.2 . 1 . . . . . . . . 4897 1 89 . 1 1 19 19 ASN CB C 13 37.5 0.2 . 1 . . . . . . . . 4897 1 90 . 1 1 19 19 ASN C C 13 175.8 0.2 . 1 . . . . . . . . 4897 1 91 . 1 1 20 20 VAL H H 1 9.57 0.01 . 1 . . . . . . . . 4897 1 92 . 1 1 20 20 VAL N N 15 121.0 0.2 . 1 . . . . . . . . 4897 1 93 . 1 1 20 20 VAL CA C 13 59.5 0.2 . 1 . . . . . . . . 4897 1 94 . 1 1 20 20 VAL CB C 13 34.3 0.2 . 1 . . . . . . . . 4897 1 95 . 1 1 20 20 VAL C C 13 174.0 0.2 . 1 . . . . . . . . 4897 1 96 . 1 1 21 21 VAL H H 1 7.75 0.01 . 1 . . . . . . . . 4897 1 97 . 1 1 21 21 VAL N N 15 116.4 0.2 . 1 . . . . . . . . 4897 1 98 . 1 1 21 21 VAL CA C 13 59.3 0.2 . 1 . . . . . . . . 4897 1 99 . 1 1 21 21 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 4897 1 100 . 1 1 21 21 VAL C C 13 178.9 0.2 . 1 . . . . . . . . 4897 1 101 . 1 1 22 22 ILE H H 1 8.18 0.01 . 1 . . . . . . . . 4897 1 102 . 1 1 22 22 ILE N N 15 117.2 0.2 . 1 . . . . . . . . 4897 1 103 . 1 1 22 22 ILE CA C 13 62.6 0.2 . 1 . . . . . . . . 4897 1 104 . 1 1 22 22 ILE CB C 13 38.0 0.2 . 1 . . . . . . . . 4897 1 105 . 1 1 22 22 ILE C C 13 175.9 0.2 . 1 . . . . . . . . 4897 1 106 . 1 1 23 23 THR H H 1 7.07 0.01 . 1 . . . . . . . . 4897 1 107 . 1 1 23 23 THR N N 15 106.8 0.2 . 1 . . . . . . . . 4897 1 108 . 1 1 23 23 THR CA C 13 61.3 0.2 . 1 . . . . . . . . 4897 1 109 . 1 1 23 23 THR CB C 13 68.1 0.2 . 1 . . . . . . . . 4897 1 110 . 1 1 23 23 THR C C 13 175.3 0.2 . 1 . . . . . . . . 4897 1 111 . 1 1 24 24 GLN H H 1 8.16 0.01 . 1 . . . . . . . . 4897 1 112 . 1 1 24 24 GLN N N 15 122.6 0.2 . 1 . . . . . . . . 4897 1 113 . 1 1 24 24 GLN CA C 13 54.8 0.2 . 1 . . . . . . . . 4897 1 114 . 1 1 24 24 GLN CB C 13 29.8 0.2 . 1 . . . . . . . . 4897 1 115 . 1 1 24 24 GLN C C 13 175.1 0.2 . 1 . . . . . . . . 4897 1 116 . 1 1 25 25 ARG H H 1 9.40 0.01 . 1 . . . . . . . . 4897 1 117 . 1 1 25 25 ARG N N 15 107.0 0.2 . 1 . . . . . . . . 4897 1 118 . 1 1 25 25 ARG CA C 13 60.6 0.2 . 1 . . . . . . . . 4897 1 119 . 1 1 25 25 ARG CB C 13 40.4 0.2 . 1 . . . . . . . . 4897 1 120 . 1 1 25 25 ARG C C 13 173.7 0.2 . 1 . . . . . . . . 4897 1 121 . 1 1 26 26 PRO CA C 13 62.0 0.2 . 1 . . . . . . . . 4897 1 122 . 1 1 26 26 PRO CB C 13 29.5 0.2 . 1 . . . . . . . . 4897 1 123 . 1 1 26 26 PRO C C 13 174.8 0.2 . 1 . . . . . . . . 4897 1 124 . 1 1 27 27 GLN H H 1 8.01 0.01 . 1 . . . . . . . . 4897 1 125 . 1 1 27 27 GLN N N 15 116.4 0.2 . 1 . . . . . . . . 4897 1 126 . 1 1 27 27 GLN CA C 13 52.9 0.2 . 1 . . . . . . . . 4897 1 127 . 1 1 27 27 GLN CB C 13 35.3 0.2 . 1 . . . . . . . . 4897 1 128 . 1 1 27 27 GLN C C 13 176.8 0.2 . 1 . . . . . . . . 4897 1 129 . 1 1 28 28 PHE H H 1 7.89 0.01 . 1 . . . . . . . . 4897 1 130 . 1 1 28 28 PHE N N 15 110.8 0.2 . 1 . . . . . . . . 4897 1 131 . 1 1 28 28 PHE CA C 13 55.7 0.2 . 1 . . . . . . . . 4897 1 132 . 1 1 28 28 PHE CB C 13 40.8 0.2 . 1 . . . . . . . . 4897 1 133 . 1 1 28 28 PHE C C 13 171.6 0.2 . 1 . . . . . . . . 4897 1 134 . 1 1 29 29 ILE H H 1 5.56 0.01 . 1 . . . . . . . . 4897 1 135 . 1 1 29 29 ILE N N 15 118.0 0.2 . 1 . . . . . . . . 4897 1 136 . 1 1 29 29 ILE CA C 13 60.3 0.2 . 1 . . . . . . . . 4897 1 137 . 1 1 29 29 ILE CB C 13 39.4 0.2 . 1 . . . . . . . . 4897 1 138 . 1 1 29 29 ILE C C 13 175.4 0.2 . 1 . . . . . . . . 4897 1 139 . 1 1 30 30 THR H H 1 8.97 0.01 . 1 . . . . . . . . 4897 1 140 . 1 1 30 30 THR N N 15 121.3 0.2 . 1 . . . . . . . . 4897 1 141 . 1 1 30 30 THR CA C 13 60.7 0.2 . 1 . . . . . . . . 4897 1 142 . 1 1 30 30 THR CB C 13 69.1 0.2 . 1 . . . . . . . . 4897 1 143 . 1 1 30 30 THR C C 13 174.0 0.2 . 1 . . . . . . . . 4897 1 144 . 1 1 31 31 SER H H 1 8.58 0.01 . 1 . . . . . . . . 4897 1 145 . 1 1 31 31 SER N N 15 122.1 0.2 . 1 . . . . . . . . 4897 1 146 . 1 1 31 31 SER CA C 13 56.7 0.2 . 1 . . . . . . . . 4897 1 147 . 1 1 31 31 SER CB C 13 64.5 0.2 . 1 . . . . . . . . 4897 1 148 . 1 1 31 31 SER C C 13 173.3 0.2 . 1 . . . . . . . . 4897 1 149 . 1 1 32 32 TRP H H 1 9.32 0.01 . 1 . . . . . . . . 4897 1 150 . 1 1 32 32 TRP N N 15 127.2 0.2 . 1 . . . . . . . . 4897 1 151 . 1 1 32 32 TRP CA C 13 57.4 0.2 . 1 . . . . . . . . 4897 1 152 . 1 1 32 32 TRP CB C 13 27.4 0.2 . 1 . . . . . . . . 4897 1 153 . 1 1 32 32 TRP C C 13 175.5 0.2 . 1 . . . . . . . . 4897 1 154 . 1 1 33 33 ARG H H 1 7.78 0.01 . 1 . . . . . . . . 4897 1 155 . 1 1 33 33 ARG N N 15 129.9 0.2 . 1 . . . . . . . . 4897 1 156 . 1 1 33 33 ARG CA C 13 51.7 0.2 . 1 . . . . . . . . 4897 1 157 . 1 1 33 33 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4897 1 158 . 1 1 33 33 ARG C C 13 172.8 0.2 . 1 . . . . . . . . 4897 1 159 . 1 1 34 34 PRO CA C 13 62.3 0.2 . 1 . . . . . . . . 4897 1 160 . 1 1 34 34 PRO CB C 13 31.2 0.2 . 1 . . . . . . . . 4897 1 161 . 1 1 34 34 PRO C C 13 175.6 0.2 . 1 . . . . . . . . 4897 1 162 . 1 1 35 35 GLY H H 1 7.40 0.01 . 1 . . . . . . . . 4897 1 163 . 1 1 35 35 GLY N N 15 105.8 0.2 . 1 . . . . . . . . 4897 1 164 . 1 1 35 35 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 4897 1 165 . 1 1 35 35 GLY C C 13 171.7 0.2 . 1 . . . . . . . . 4897 1 166 . 1 1 36 36 ILE H H 1 8.62 0.01 . 1 . . . . . . . . 4897 1 167 . 1 1 36 36 ILE N N 15 121.5 0.2 . 1 . . . . . . . . 4897 1 168 . 1 1 36 36 ILE CA C 13 60.9 0.2 . 1 . . . . . . . . 4897 1 169 . 1 1 36 36 ILE CB C 13 36.0 0.2 . 1 . . . . . . . . 4897 1 170 . 1 1 36 36 ILE C C 13 174.6 0.2 . 1 . . . . . . . . 4897 1 171 . 1 1 37 37 ALA H H 1 9.25 0.01 . 1 . . . . . . . . 4897 1 172 . 1 1 37 37 ALA N N 15 131.7 0.2 . 1 . . . . . . . . 4897 1 173 . 1 1 37 37 ALA CA C 13 49.4 0.2 . 1 . . . . . . . . 4897 1 174 . 1 1 37 37 ALA CB C 13 23.5 0.2 . 1 . . . . . . . . 4897 1 175 . 1 1 37 37 ALA C C 13 175.8 0.2 . 1 . . . . . . . . 4897 1 176 . 1 1 38 38 THR H H 1 8.91 0.01 . 1 . . . . . . . . 4897 1 177 . 1 1 38 38 THR N N 15 115.1 0.2 . 1 . . . . . . . . 4897 1 178 . 1 1 38 38 THR CA C 13 60.6 0.2 . 1 . . . . . . . . 4897 1 179 . 1 1 38 38 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 4897 1 180 . 1 1 38 38 THR C C 13 175.4 0.2 . 1 . . . . . . . . 4897 1 181 . 1 1 39 39 VAL H H 1 9.31 0.01 . 1 . . . . . . . . 4897 1 182 . 1 1 39 39 VAL N N 15 127.4 0.2 . 1 . . . . . . . . 4897 1 183 . 1 1 39 39 VAL CA C 13 63.0 0.2 . 1 . . . . . . . . 4897 1 184 . 1 1 39 39 VAL CB C 13 30.2 0.2 . 1 . . . . . . . . 4897 1 185 . 1 1 39 39 VAL C C 13 179.2 0.2 . 1 . . . . . . . . 4897 1 186 . 1 1 40 40 THR H H 1 8.40 0.01 . 1 . . . . . . . . 4897 1 187 . 1 1 40 40 THR N N 15 115.0 0.2 . 1 . . . . . . . . 4897 1 188 . 1 1 40 40 THR CA C 13 60.0 0.2 . 1 . . . . . . . . 4897 1 189 . 1 1 40 40 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 4897 1 190 . 1 1 40 40 THR C C 13 174.2 0.2 . 1 . . . . . . . . 4897 1 191 . 1 1 41 41 TRP H H 1 7.71 0.01 . 1 . . . . . . . . 4897 1 192 . 1 1 41 41 TRP N N 15 121.3 0.2 . 1 . . . . . . . . 4897 1 193 . 1 1 41 41 TRP CA C 13 59.0 0.2 . 1 . . . . . . . . 4897 1 194 . 1 1 41 41 TRP C C 13 173.5 0.2 . 1 . . . . . . . . 4897 1 195 . 1 1 42 42 ASN H H 1 7.27 0.01 . 1 . . . . . . . . 4897 1 196 . 1 1 42 42 ASN N N 15 120.9 0.2 . 1 . . . . . . . . 4897 1 197 . 1 1 42 42 ASN CA C 13 52.4 0.2 . 1 . . . . . . . . 4897 1 198 . 1 1 42 42 ASN CB C 13 40.4 0.2 . 1 . . . . . . . . 4897 1 199 . 1 1 42 42 ASN C C 13 171.7 0.2 . 1 . . . . . . . . 4897 1 200 . 1 1 43 43 GLN H H 1 8.45 0.01 . 1 . . . . . . . . 4897 1 201 . 1 1 43 43 GLN N N 15 117.0 0.2 . 1 . . . . . . . . 4897 1 202 . 1 1 43 43 GLN CA C 13 56.6 0.2 . 1 . . . . . . . . 4897 1 203 . 1 1 43 43 GLN CB C 13 31.4 0.2 . 1 . . . . . . . . 4897 1 204 . 1 1 43 43 GLN C C 13 174.9 0.2 . 1 . . . . . . . . 4897 1 205 . 1 1 44 44 CYS H H 1 8.88 0.01 . 1 . . . . . . . . 4897 1 206 . 1 1 44 44 CYS N N 15 124.0 0.2 . 1 . . . . . . . . 4897 1 207 . 1 1 44 44 CYS CA C 13 54.3 0.2 . 1 . . . . . . . . 4897 1 208 . 1 1 44 44 CYS CB C 13 43.4 0.2 . 1 . . . . . . . . 4897 1 209 . 1 1 44 44 CYS C C 13 173.3 0.2 . 1 . . . . . . . . 4897 1 210 . 1 1 45 45 ASN H H 1 8.12 0.01 . 1 . . . . . . . . 4897 1 211 . 1 1 45 45 ASN N N 15 117.8 0.2 . 1 . . . . . . . . 4897 1 212 . 1 1 45 45 ASN CA C 13 52.1 0.2 . 1 . . . . . . . . 4897 1 213 . 1 1 45 45 ASN CB C 13 37.9 0.2 . 1 . . . . . . . . 4897 1 214 . 1 1 45 45 ASN C C 13 175.3 0.2 . 1 . . . . . . . . 4897 1 215 . 1 1 46 46 GLY H H 1 8.96 0.01 . 1 . . . . . . . . 4897 1 216 . 1 1 46 46 GLY N N 15 110.3 0.2 . 1 . . . . . . . . 4897 1 217 . 1 1 46 46 GLY CA C 13 42.9 0.2 . 1 . . . . . . . . 4897 1 218 . 1 1 46 46 GLY C C 13 170.7 0.2 . 1 . . . . . . . . 4897 1 219 . 1 1 47 47 PRO CA C 13 61.8 0.2 . 1 . . . . . . . . 4897 1 220 . 1 1 47 47 PRO CB C 13 30.9 0.2 . 1 . . . . . . . . 4897 1 221 . 1 1 47 47 PRO C C 13 175.0 0.2 . 1 . . . . . . . . 4897 1 222 . 1 1 48 48 GLU H H 1 8.03 0.01 . 1 . . . . . . . . 4897 1 223 . 1 1 48 48 GLU N N 15 117.1 0.2 . 1 . . . . . . . . 4897 1 224 . 1 1 48 48 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 4897 1 225 . 1 1 48 48 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 4897 1 226 . 1 1 48 48 GLU C C 13 175.9 0.2 . 1 . . . . . . . . 4897 1 227 . 1 1 49 49 PHE H H 1 7.66 0.01 . 1 . . . . . . . . 4897 1 228 . 1 1 49 49 PHE N N 15 114.8 0.2 . 1 . . . . . . . . 4897 1 229 . 1 1 49 49 PHE CA C 13 56.2 0.2 . 1 . . . . . . . . 4897 1 230 . 1 1 49 49 PHE CB C 13 41.6 0.2 . 1 . . . . . . . . 4897 1 231 . 1 1 49 49 PHE C C 13 173.8 0.2 . 1 . . . . . . . . 4897 1 232 . 1 1 50 50 ALA H H 1 8.50 0.01 . 1 . . . . . . . . 4897 1 233 . 1 1 50 50 ALA N N 15 127.1 0.2 . 1 . . . . . . . . 4897 1 234 . 1 1 50 50 ALA CA C 13 50.8 0.2 . 1 . . . . . . . . 4897 1 235 . 1 1 50 50 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 4897 1 236 . 1 1 50 50 ALA C C 13 176.8 0.2 . 1 . . . . . . . . 4897 1 237 . 1 1 51 51 ASP H H 1 7.13 0.01 . 1 . . . . . . . . 4897 1 238 . 1 1 51 51 ASP N N 15 118.7 0.2 . 1 . . . . . . . . 4897 1 239 . 1 1 51 51 ASP CA C 13 52.9 0.2 . 1 . . . . . . . . 4897 1 240 . 1 1 51 51 ASP CB C 13 40.2 0.2 . 1 . . . . . . . . 4897 1 241 . 1 1 51 51 ASP C C 13 177.3 0.2 . 1 . . . . . . . . 4897 1 242 . 1 1 52 52 GLY H H 1 8.24 0.01 . 1 . . . . . . . . 4897 1 243 . 1 1 52 52 GLY N N 15 109.0 0.2 . 1 . . . . . . . . 4897 1 244 . 1 1 52 52 GLY CA C 13 44.2 0.2 . 1 . . . . . . . . 4897 1 245 . 1 1 52 52 GLY C C 13 175.1 0.2 . 1 . . . . . . . . 4897 1 246 . 1 1 53 53 SER H H 1 8.50 0.01 . 1 . . . . . . . . 4897 1 247 . 1 1 53 53 SER N N 15 114.2 0.2 . 1 . . . . . . . . 4897 1 248 . 1 1 53 53 SER CA C 13 59.3 0.2 . 1 . . . . . . . . 4897 1 249 . 1 1 53 53 SER CB C 13 71.0 0.2 . 1 . . . . . . . . 4897 1 250 . 1 1 53 53 SER C C 13 174.0 0.2 . 1 . . . . . . . . 4897 1 251 . 1 1 54 54 TRP H H 1 7.60 0.01 . 1 . . . . . . . . 4897 1 252 . 1 1 54 54 TRP N N 15 119.2 0.2 . 1 . . . . . . . . 4897 1 253 . 1 1 54 54 TRP CA C 13 54.2 0.2 . 1 . . . . . . . . 4897 1 254 . 1 1 54 54 TRP CB C 13 31.2 0.2 . 1 . . . . . . . . 4897 1 255 . 1 1 54 54 TRP C C 13 173.9 0.2 . 1 . . . . . . . . 4897 1 256 . 1 1 55 55 ALA H H 1 8.28 0.01 . 1 . . . . . . . . 4897 1 257 . 1 1 55 55 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 4897 1 258 . 1 1 55 55 ALA CA C 13 50.5 0.2 . 1 . . . . . . . . 4897 1 259 . 1 1 55 55 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 4897 1 260 . 1 1 55 55 ALA C C 13 176.9 0.2 . 1 . . . . . . . . 4897 1 261 . 1 1 56 56 TYR H H 1 8.18 0.01 . 1 . . . . . . . . 4897 1 262 . 1 1 56 56 TYR N N 15 117.2 0.2 . 1 . . . . . . . . 4897 1 263 . 1 1 56 56 TYR CA C 13 55.2 0.2 . 1 . . . . . . . . 4897 1 264 . 1 1 56 56 TYR CB C 13 39.3 0.2 . 1 . . . . . . . . 4897 1 265 . 1 1 56 56 TYR C C 13 171.5 0.2 . 1 . . . . . . . . 4897 1 266 . 1 1 57 57 TYR H H 1 8.99 0.01 . 1 . . . . . . . . 4897 1 267 . 1 1 57 57 TYR N N 15 115.2 0.2 . 1 . . . . . . . . 4897 1 268 . 1 1 57 57 TYR CA C 13 56.6 0.2 . 1 . . . . . . . . 4897 1 269 . 1 1 57 57 TYR CB C 13 41.4 0.2 . 1 . . . . . . . . 4897 1 270 . 1 1 57 57 TYR C C 13 177.3 0.2 . 1 . . . . . . . . 4897 1 271 . 1 1 58 58 ARG H H 1 8.99 0.01 . 1 . . . . . . . . 4897 1 272 . 1 1 58 58 ARG N N 15 120.4 0.2 . 1 . . . . . . . . 4897 1 273 . 1 1 58 58 ARG CA C 13 54.9 0.2 . 1 . . . . . . . . 4897 1 274 . 1 1 58 58 ARG CB C 13 34.1 0.2 . 1 . . . . . . . . 4897 1 275 . 1 1 58 58 ARG C C 13 174.3 0.2 . 1 . . . . . . . . 4897 1 276 . 1 1 59 59 GLU H H 1 8.93 0.01 . 1 . . . . . . . . 4897 1 277 . 1 1 59 59 GLU N N 15 120.0 0.2 . 1 . . . . . . . . 4897 1 278 . 1 1 59 59 GLU CA C 13 58.0 0.2 . 1 . . . . . . . . 4897 1 279 . 1 1 59 59 GLU CB C 13 31.6 0.2 . 1 . . . . . . . . 4897 1 280 . 1 1 59 59 GLU C C 13 176.0 0.2 . 1 . . . . . . . . 4897 1 281 . 1 1 60 60 TYR CA C 13 52.4 0.2 . 1 . . . . . . . . 4897 1 282 . 1 1 60 60 TYR CB C 13 38.7 0.2 . 1 . . . . . . . . 4897 1 283 . 1 1 60 60 TYR C C 13 175.0 0.2 . 1 . . . . . . . . 4897 1 284 . 1 1 61 61 ILE H H 1 8.93 0.01 . 1 . . . . . . . . 4897 1 285 . 1 1 61 61 ILE N N 15 120.0 0.2 . 1 . . . . . . . . 4897 1 286 . 1 1 61 61 ILE CA C 13 60.1 0.2 . 1 . . . . . . . . 4897 1 287 . 1 1 61 61 ILE CB C 13 43.2 0.2 . 1 . . . . . . . . 4897 1 288 . 1 1 61 61 ILE C C 13 175.1 0.2 . 1 . . . . . . . . 4897 1 289 . 1 1 62 62 ALA H H 1 9.04 0.01 . 1 . . . . . . . . 4897 1 290 . 1 1 62 62 ALA N N 15 131.7 0.2 . 1 . . . . . . . . 4897 1 291 . 1 1 62 62 ALA CA C 13 51.0 0.2 . 1 . . . . . . . . 4897 1 292 . 1 1 62 62 ALA CB C 13 19.6 0.2 . 1 . . . . . . . . 4897 1 293 . 1 1 62 62 ALA C C 13 175.9 0.2 . 1 . . . . . . . . 4897 1 294 . 1 1 63 63 TRP H H 1 9.81 0.01 . 1 . . . . . . . . 4897 1 295 . 1 1 63 63 TRP N N 15 119.8 0.2 . 1 . . . . . . . . 4897 1 296 . 1 1 63 63 TRP CA C 13 57.5 0.2 . 1 . . . . . . . . 4897 1 297 . 1 1 63 63 TRP CB C 13 32.9 0.2 . 1 . . . . . . . . 4897 1 298 . 1 1 63 63 TRP C C 13 177.0 0.2 . 1 . . . . . . . . 4897 1 299 . 1 1 64 64 VAL H H 1 9.54 0.01 . 1 . . . . . . . . 4897 1 300 . 1 1 64 64 VAL N N 15 118.5 0.2 . 1 . . . . . . . . 4897 1 301 . 1 1 64 64 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 4897 1 302 . 1 1 64 64 VAL CB C 13 34.7 0.2 . 1 . . . . . . . . 4897 1 303 . 1 1 64 64 VAL C C 13 175.4 0.2 . 1 . . . . . . . . 4897 1 304 . 1 1 65 65 VAL H H 1 9.25 0.01 . 1 . . . . . . . . 4897 1 305 . 1 1 65 65 VAL N N 15 126.1 0.2 . 1 . . . . . . . . 4897 1 306 . 1 1 65 65 VAL CA C 13 61.0 0.2 . 1 . . . . . . . . 4897 1 307 . 1 1 65 65 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 4897 1 308 . 1 1 65 65 VAL C C 13 175.6 0.2 . 1 . . . . . . . . 4897 1 309 . 1 1 66 66 PHE H H 1 8.77 0.01 . 1 . . . . . . . . 4897 1 310 . 1 1 66 66 PHE N N 15 131.2 0.2 . 1 . . . . . . . . 4897 1 311 . 1 1 66 66 PHE CA C 13 54.6 0.2 . 1 . . . . . . . . 4897 1 312 . 1 1 66 66 PHE CB C 13 46.4 0.2 . 1 . . . . . . . . 4897 1 313 . 1 1 66 66 PHE C C 13 172.1 0.2 . 1 . . . . . . . . 4897 1 314 . 1 1 67 67 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 4897 1 315 . 1 1 67 67 PRO CB C 13 31.6 0.2 . 1 . . . . . . . . 4897 1 316 . 1 1 67 67 PRO C C 13 174.4 0.2 . 1 . . . . . . . . 4897 1 317 . 1 1 68 68 LYS H H 1 7.52 0.01 . 1 . . . . . . . . 4897 1 318 . 1 1 68 68 LYS N N 15 112.2 0.2 . 1 . . . . . . . . 4897 1 319 . 1 1 68 68 LYS CA C 13 57.4 0.2 . 1 . . . . . . . . 4897 1 320 . 1 1 68 68 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 4897 1 321 . 1 1 68 68 LYS C C 13 176.3 0.2 . 1 . . . . . . . . 4897 1 322 . 1 1 69 69 LYS H H 1 7.77 0.01 . 1 . . . . . . . . 4897 1 323 . 1 1 69 69 LYS N N 15 118.0 0.2 . 1 . . . . . . . . 4897 1 324 . 1 1 69 69 LYS CA C 13 54.5 0.2 . 1 . . . . . . . . 4897 1 325 . 1 1 69 69 LYS CB C 13 34.4 0.2 . 1 . . . . . . . . 4897 1 326 . 1 1 69 69 LYS C C 13 174.7 0.2 . 1 . . . . . . . . 4897 1 327 . 1 1 70 70 VAL H H 1 8.55 0.01 . 1 . . . . . . . . 4897 1 328 . 1 1 70 70 VAL N N 15 118.9 0.2 . 1 . . . . . . . . 4897 1 329 . 1 1 70 70 VAL CA C 13 59.1 0.2 . 1 . . . . . . . . 4897 1 330 . 1 1 70 70 VAL CB C 13 34.4 0.2 . 1 . . . . . . . . 4897 1 331 . 1 1 70 70 VAL C C 13 172.8 0.2 . 1 . . . . . . . . 4897 1 332 . 1 1 71 71 MET H H 1 8.29 0.01 . 1 . . . . . . . . 4897 1 333 . 1 1 71 71 MET N N 15 120.0 0.2 . 1 . . . . . . . . 4897 1 334 . 1 1 71 71 MET CA C 13 52.1 0.2 . 1 . . . . . . . . 4897 1 335 . 1 1 71 71 MET CB C 13 31.9 0.2 . 1 . . . . . . . . 4897 1 336 . 1 1 71 71 MET C C 13 178.2 0.2 . 1 . . . . . . . . 4897 1 337 . 1 1 72 72 THR H H 1 9.52 0.01 . 1 . . . . . . . . 4897 1 338 . 1 1 72 72 THR N N 15 112.0 0.2 . 1 . . . . . . . . 4897 1 339 . 1 1 72 72 THR CA C 13 61.5 0.2 . 1 . . . . . . . . 4897 1 340 . 1 1 72 72 THR CB C 13 50.7 0.2 . 1 . . . . . . . . 4897 1 341 . 1 1 72 72 THR C C 13 177.7 0.2 . 1 . . . . . . . . 4897 1 342 . 1 1 73 73 GLN H H 1 10.05 0.01 . 1 . . . . . . . . 4897 1 343 . 1 1 73 73 GLN N N 15 122.3 0.2 . 1 . . . . . . . . 4897 1 344 . 1 1 73 73 GLN CA C 13 58.4 0.2 . 1 . . . . . . . . 4897 1 345 . 1 1 73 73 GLN CB C 13 27.3 0.2 . 1 . . . . . . . . 4897 1 346 . 1 1 73 73 GLN C C 13 176.6 0.2 . 1 . . . . . . . . 4897 1 347 . 1 1 74 74 ASN H H 1 8.08 0.01 . 1 . . . . . . . . 4897 1 348 . 1 1 74 74 ASN N N 15 110.6 0.2 . 1 . . . . . . . . 4897 1 349 . 1 1 74 74 ASN CA C 13 51.3 0.2 . 1 . . . . . . . . 4897 1 350 . 1 1 74 74 ASN CB C 13 35.7 0.2 . 1 . . . . . . . . 4897 1 351 . 1 1 74 74 ASN C C 13 175.3 0.2 . 1 . . . . . . . . 4897 1 352 . 1 1 75 75 GLY H H 1 7.88 0.01 . 1 . . . . . . . . 4897 1 353 . 1 1 75 75 GLY N N 15 105.1 0.2 . 1 . . . . . . . . 4897 1 354 . 1 1 75 75 GLY CA C 13 46.3 0.2 . 1 . . . . . . . . 4897 1 355 . 1 1 75 75 GLY C C 13 173.8 0.2 . 1 . . . . . . . . 4897 1 356 . 1 1 76 76 TYR H H 1 8.39 0.01 . 1 . . . . . . . . 4897 1 357 . 1 1 76 76 TYR N N 15 119.7 0.2 . 1 . . . . . . . . 4897 1 358 . 1 1 76 76 TYR CA C 13 54.8 0.2 . 1 . . . . . . . . 4897 1 359 . 1 1 76 76 TYR CB C 13 38.8 0.2 . 1 . . . . . . . . 4897 1 360 . 1 1 76 76 TYR C C 13 176.1 0.2 . 1 . . . . . . . . 4897 1 361 . 1 1 77 77 PRO CA C 13 62.0 0.2 . 1 . . . . . . . . 4897 1 362 . 1 1 77 77 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 4897 1 363 . 1 1 77 77 PRO C C 13 177.9 0.2 . 1 . . . . . . . . 4897 1 364 . 1 1 78 78 LEU H H 1 8.93 0.01 . 1 . . . . . . . . 4897 1 365 . 1 1 78 78 LEU N N 15 120.0 0.2 . 1 . . . . . . . . 4897 1 366 . 1 1 78 78 LEU CA C 13 52.6 0.2 . 1 . . . . . . . . 4897 1 367 . 1 1 78 78 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . 4897 1 368 . 1 1 78 78 LEU C C 13 175.7 0.2 . 1 . . . . . . . . 4897 1 369 . 1 1 79 79 PHE H H 1 7.68 0.01 . 1 . . . . . . . . 4897 1 370 . 1 1 79 79 PHE N N 15 119.9 0.2 . 1 . . . . . . . . 4897 1 371 . 1 1 79 79 PHE CA C 13 57.2 0.2 . 1 . . . . . . . . 4897 1 372 . 1 1 79 79 PHE CB C 13 39.7 0.2 . 1 . . . . . . . . 4897 1 373 . 1 1 79 79 PHE C C 13 174.7 0.2 . 1 . . . . . . . . 4897 1 374 . 1 1 80 80 ILE H H 1 8.66 0.01 . 1 . . . . . . . . 4897 1 375 . 1 1 80 80 ILE N N 15 123.5 0.2 . 1 . . . . . . . . 4897 1 376 . 1 1 80 80 ILE CA C 13 59.9 0.2 . 1 . . . . . . . . 4897 1 377 . 1 1 80 80 ILE CB C 13 36.9 0.2 . 1 . . . . . . . . 4897 1 378 . 1 1 80 80 ILE C C 13 175.6 0.2 . 1 . . . . . . . . 4897 1 379 . 1 1 81 81 GLU H H 1 9.49 0.01 . 1 . . . . . . . . 4897 1 380 . 1 1 81 81 GLU N N 15 128.3 0.2 . 1 . . . . . . . . 4897 1 381 . 1 1 81 81 GLU CA C 13 53.9 0.2 . 1 . . . . . . . . 4897 1 382 . 1 1 81 81 GLU CB C 13 32.0 0.2 . 1 . . . . . . . . 4897 1 383 . 1 1 81 81 GLU C C 13 175.0 0.2 . 1 . . . . . . . . 4897 1 384 . 1 1 82 82 VAL H H 1 8.76 0.01 . 1 . . . . . . . . 4897 1 385 . 1 1 82 82 VAL N N 15 122.6 0.2 . 1 . . . . . . . . 4897 1 386 . 1 1 82 82 VAL CA C 13 63.0 0.2 . 1 . . . . . . . . 4897 1 387 . 1 1 82 82 VAL CB C 13 31.0 0.2 . 1 . . . . . . . . 4897 1 388 . 1 1 82 82 VAL C C 13 174.8 0.2 . 1 . . . . . . . . 4897 1 389 . 1 1 83 83 HIS H H 1 8.72 0.01 . 1 . . . . . . . . 4897 1 390 . 1 1 83 83 HIS N N 15 127.2 0.2 . 1 . . . . . . . . 4897 1 391 . 1 1 83 83 HIS CA C 13 56.6 0.2 . 1 . . . . . . . . 4897 1 392 . 1 1 83 83 HIS CB C 13 32.1 0.2 . 1 . . . . . . . . 4897 1 393 . 1 1 83 83 HIS C C 13 174.5 0.2 . 1 . . . . . . . . 4897 1 394 . 1 1 84 84 ASN H H 1 7.79 0.01 . 1 . . . . . . . . 4897 1 395 . 1 1 84 84 ASN N N 15 114.7 0.2 . 1 . . . . . . . . 4897 1 396 . 1 1 84 84 ASN CA C 13 52.6 0.2 . 1 . . . . . . . . 4897 1 397 . 1 1 84 84 ASN CB C 13 39.8 0.2 . 1 . . . . . . . . 4897 1 398 . 1 1 84 84 ASN C C 13 173.8 0.2 . 1 . . . . . . . . 4897 1 399 . 1 1 85 85 LYS H H 1 8.91 0.01 . 1 . . . . . . . . 4897 1 400 . 1 1 85 85 LYS N N 15 122.3 0.2 . 1 . . . . . . . . 4897 1 401 . 1 1 85 85 LYS CA C 13 53.6 0.2 . 1 . . . . . . . . 4897 1 402 . 1 1 85 85 LYS CB C 13 31.8 0.2 . 1 . . . . . . . . 4897 1 403 . 1 1 85 85 LYS C C 13 174.6 0.2 . 1 . . . . . . . . 4897 1 404 . 1 1 86 86 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 4897 1 405 . 1 1 86 86 GLY N N 15 108.4 0.2 . 1 . . . . . . . . 4897 1 406 . 1 1 86 86 GLY CA C 13 47.2 0.2 . 1 . . . . . . . . 4897 1 407 . 1 1 86 86 GLY C C 13 175.0 0.2 . 1 . . . . . . . . 4897 1 408 . 1 1 87 87 SER H H 1 9.40 0.01 . 1 . . . . . . . . 4897 1 409 . 1 1 87 87 SER N N 15 120.3 0.2 . 1 . . . . . . . . 4897 1 410 . 1 1 87 87 SER CA C 13 58.0 0.2 . 1 . . . . . . . . 4897 1 411 . 1 1 87 87 SER C C 13 175.4 0.2 . 1 . . . . . . . . 4897 1 412 . 1 1 88 88 TRP H H 1 8.28 0.01 . 1 . . . . . . . . 4897 1 413 . 1 1 88 88 TRP N N 15 123.3 0.2 . 1 . . . . . . . . 4897 1 414 . 1 1 88 88 TRP CA C 13 59.1 0.2 . 1 . . . . . . . . 4897 1 415 . 1 1 88 88 TRP CB C 13 29.8 0.2 . 1 . . . . . . . . 4897 1 416 . 1 1 88 88 TRP C C 13 176.0 0.2 . 1 . . . . . . . . 4897 1 417 . 1 1 89 89 SER H H 1 9.25 0.01 . 1 . . . . . . . . 4897 1 418 . 1 1 89 89 SER N N 15 116.3 0.2 . 1 . . . . . . . . 4897 1 419 . 1 1 89 89 SER CA C 13 57.1 0.2 . 1 . . . . . . . . 4897 1 420 . 1 1 89 89 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 4897 1 421 . 1 1 89 89 SER C C 13 174.1 0.2 . 1 . . . . . . . . 4897 1 422 . 1 1 90 90 GLU H H 1 8.80 0.01 . 1 . . . . . . . . 4897 1 423 . 1 1 90 90 GLU N N 15 127.4 0.2 . 1 . . . . . . . . 4897 1 424 . 1 1 90 90 GLU CA C 13 54.6 0.2 . 1 . . . . . . . . 4897 1 425 . 1 1 90 90 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 4897 1 426 . 1 1 90 90 GLU C C 13 175.5 0.2 . 1 . . . . . . . . 4897 1 427 . 1 1 91 91 GLU H H 1 8.66 0.01 . 1 . . . . . . . . 4897 1 428 . 1 1 91 91 GLU N N 15 123.5 0.2 . 1 . . . . . . . . 4897 1 429 . 1 1 91 91 GLU CA C 13 53.9 0.2 . 1 . . . . . . . . 4897 1 430 . 1 1 91 91 GLU CB C 13 31.7 0.2 . 1 . . . . . . . . 4897 1 431 . 1 1 91 91 GLU C C 13 175.4 0.2 . 1 . . . . . . . . 4897 1 432 . 1 1 92 92 ASN H H 1 8.91 0.01 . 1 . . . . . . . . 4897 1 433 . 1 1 92 92 ASN N N 15 119.0 0.2 . 1 . . . . . . . . 4897 1 434 . 1 1 92 92 ASN CA C 13 52.7 0.2 . 1 . . . . . . . . 4897 1 435 . 1 1 92 92 ASN CB C 13 35.5 0.2 . 1 . . . . . . . . 4897 1 436 . 1 1 92 92 ASN C C 13 177.3 0.2 . 1 . . . . . . . . 4897 1 437 . 1 1 93 93 THR H H 1 8.07 0.01 . 1 . . . . . . . . 4897 1 438 . 1 1 93 93 THR N N 15 108.3 0.2 . 1 . . . . . . . . 4897 1 439 . 1 1 93 93 THR CA C 13 63.6 0.2 . 1 . . . . . . . . 4897 1 440 . 1 1 93 93 THR CB C 13 68.3 0.2 . 1 . . . . . . . . 4897 1 441 . 1 1 93 93 THR C C 13 175.2 0.2 . 1 . . . . . . . . 4897 1 442 . 1 1 94 94 GLY H H 1 8.56 0.01 . 1 . . . . . . . . 4897 1 443 . 1 1 94 94 GLY N N 15 108.8 0.2 . 1 . . . . . . . . 4897 1 444 . 1 1 94 94 GLY CA C 13 44.5 0.2 . 1 . . . . . . . . 4897 1 445 . 1 1 94 94 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 4897 1 446 . 1 1 95 95 ASP H H 1 7.21 0.01 . 1 . . . . . . . . 4897 1 447 . 1 1 95 95 ASP N N 15 120.8 0.2 . 1 . . . . . . . . 4897 1 448 . 1 1 95 95 ASP CA C 13 55.1 0.2 . 1 . . . . . . . . 4897 1 449 . 1 1 95 95 ASP CB C 13 43.3 0.2 . 1 . . . . . . . . 4897 1 450 . 1 1 95 95 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 4897 1 451 . 1 1 96 96 ASN H H 1 8.74 0.01 . 1 . . . . . . . . 4897 1 452 . 1 1 96 96 ASN N N 15 120.9 0.2 . 1 . . . . . . . . 4897 1 453 . 1 1 96 96 ASN CA C 13 54.6 0.2 . 1 . . . . . . . . 4897 1 454 . 1 1 96 96 ASN CB C 13 38.7 0.2 . 1 . . . . . . . . 4897 1 455 . 1 1 96 96 ASN C C 13 175.2 0.2 . 1 . . . . . . . . 4897 1 456 . 1 1 97 97 ASP H H 1 8.87 0.01 . 1 . . . . . . . . 4897 1 457 . 1 1 97 97 ASP N N 15 116.1 0.2 . 1 . . . . . . . . 4897 1 458 . 1 1 97 97 ASP CA C 13 55.4 0.2 . 1 . . . . . . . . 4897 1 459 . 1 1 97 97 ASP CB C 13 43.6 0.2 . 1 . . . . . . . . 4897 1 460 . 1 1 97 97 ASP C C 13 177.6 0.2 . 1 . . . . . . . . 4897 1 461 . 1 1 98 98 SER H H 1 8.76 0.01 . 1 . . . . . . . . 4897 1 462 . 1 1 98 98 SER N N 15 117.2 0.2 . 1 . . . . . . . . 4897 1 463 . 1 1 98 98 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 4897 1 464 . 1 1 98 98 SER CB C 13 66.2 0.2 . 1 . . . . . . . . 4897 1 465 . 1 1 98 98 SER C C 13 172.2 0.2 . 1 . . . . . . . . 4897 1 466 . 1 1 99 99 TYR H H 1 9.80 0.01 . 1 . . . . . . . . 4897 1 467 . 1 1 99 99 TYR N N 15 121.3 0.2 . 1 . . . . . . . . 4897 1 468 . 1 1 99 99 TYR CA C 13 57.8 0.2 . 1 . . . . . . . . 4897 1 469 . 1 1 99 99 TYR CB C 13 41.6 0.2 . 1 . . . . . . . . 4897 1 470 . 1 1 99 99 TYR C C 13 174.7 0.2 . 1 . . . . . . . . 4897 1 471 . 1 1 100 100 PHE H H 1 8.89 0.01 . 1 . . . . . . . . 4897 1 472 . 1 1 100 100 PHE N N 15 118.0 0.2 . 1 . . . . . . . . 4897 1 473 . 1 1 100 100 PHE CA C 13 56.5 0.2 . 1 . . . . . . . . 4897 1 474 . 1 1 100 100 PHE CB C 13 39.2 0.2 . 1 . . . . . . . . 4897 1 475 . 1 1 100 100 PHE C C 13 173.0 0.2 . 1 . . . . . . . . 4897 1 476 . 1 1 101 101 PHE H H 1 9.41 0.01 . 1 . . . . . . . . 4897 1 477 . 1 1 101 101 PHE N N 15 121.1 0.2 . 1 . . . . . . . . 4897 1 478 . 1 1 101 101 PHE CA C 13 55.2 0.2 . 1 . . . . . . . . 4897 1 479 . 1 1 101 101 PHE CB C 13 39.3 0.2 . 1 . . . . . . . . 4897 1 480 . 1 1 101 101 PHE C C 13 174.1 0.2 . 1 . . . . . . . . 4897 1 481 . 1 1 102 102 LEU H H 1 9.19 0.01 . 1 . . . . . . . . 4897 1 482 . 1 1 102 102 LEU N N 15 122.5 0.2 . 1 . . . . . . . . 4897 1 483 . 1 1 102 102 LEU CA C 13 54.3 0.2 . 1 . . . . . . . . 4897 1 484 . 1 1 102 102 LEU CB C 13 45.7 0.2 . 1 . . . . . . . . 4897 1 485 . 1 1 102 102 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 4897 1 486 . 1 1 103 103 LYS H H 1 8.91 0.01 . 1 . . . . . . . . 4897 1 487 . 1 1 103 103 LYS N N 15 119.8 0.2 . 1 . . . . . . . . 4897 1 488 . 1 1 103 103 LYS CA C 13 54.3 0.2 . 1 . . . . . . . . 4897 1 489 . 1 1 103 103 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 4897 1 490 . 1 1 103 103 LYS C C 13 175.9 0.2 . 1 . . . . . . . . 4897 1 491 . 1 1 104 104 GLY H H 1 9.36 0.01 . 1 . . . . . . . . 4897 1 492 . 1 1 104 104 GLY N N 15 117.8 0.2 . 1 . . . . . . . . 4897 1 493 . 1 1 104 104 GLY CA C 13 46.5 0.2 . 1 . . . . . . . . 4897 1 494 . 1 1 104 104 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 4897 1 495 . 1 1 105 105 TYR H H 1 8.09 0.01 . 1 . . . . . . . . 4897 1 496 . 1 1 105 105 TYR N N 15 119.3 0.2 . 1 . . . . . . . . 4897 1 497 . 1 1 105 105 TYR CA C 13 56.2 0.2 . 1 . . . . . . . . 4897 1 498 . 1 1 105 105 TYR CB C 13 33.3 0.2 . 1 . . . . . . . . 4897 1 499 . 1 1 105 105 TYR C C 13 173.7 0.2 . 1 . . . . . . . . 4897 1 500 . 1 1 106 106 LYS H H 1 7.27 0.01 . 1 . . . . . . . . 4897 1 501 . 1 1 106 106 LYS N N 15 122.3 0.2 . 1 . . . . . . . . 4897 1 502 . 1 1 106 106 LYS CA C 13 55.7 0.2 . 1 . . . . . . . . 4897 1 503 . 1 1 106 106 LYS CB C 13 34.1 0.2 . 1 . . . . . . . . 4897 1 504 . 1 1 106 106 LYS C C 13 174.5 0.2 . 1 . . . . . . . . 4897 1 505 . 1 1 107 107 TRP H H 1 8.17 0.01 . 1 . . . . . . . . 4897 1 506 . 1 1 107 107 TRP N N 15 123.3 0.2 . 1 . . . . . . . . 4897 1 507 . 1 1 107 107 TRP CA C 13 57.8 0.2 . 1 . . . . . . . . 4897 1 508 . 1 1 107 107 TRP C C 13 173.2 0.2 . 1 . . . . . . . . 4897 1 509 . 1 1 108 108 ASP H H 1 8.65 0.01 . 1 . . . . . . . . 4897 1 510 . 1 1 108 108 ASP N N 15 116.3 0.2 . 1 . . . . . . . . 4897 1 511 . 1 1 108 108 ASP CA C 13 55.3 0.2 . 1 . . . . . . . . 4897 1 512 . 1 1 108 108 ASP CB C 13 38.9 0.2 . 1 . . . . . . . . 4897 1 513 . 1 1 108 108 ASP C C 13 174.0 0.2 . 1 . . . . . . . . 4897 1 514 . 1 1 109 109 GLU H H 1 7.69 0.01 . 1 . . . . . . . . 4897 1 515 . 1 1 109 109 GLU N N 15 117.2 0.2 . 1 . . . . . . . . 4897 1 516 . 1 1 109 109 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 4897 1 517 . 1 1 109 109 GLU CB C 13 30.4 0.2 . 1 . . . . . . . . 4897 1 518 . 1 1 109 109 GLU C C 13 174.9 0.2 . 1 . . . . . . . . 4897 1 519 . 1 1 110 110 ARG H H 1 8.52 0.01 . 1 . . . . . . . . 4897 1 520 . 1 1 110 110 ARG N N 15 130.8 0.2 . 1 . . . . . . . . 4897 1 521 . 1 1 110 110 ARG CA C 13 55.6 0.2 . 1 . . . . . . . . 4897 1 522 . 1 1 110 110 ARG CB C 13 29.6 0.2 . 1 . . . . . . . . 4897 1 523 . 1 1 110 110 ARG C C 13 174.7 0.2 . 1 . . . . . . . . 4897 1 524 . 1 1 111 111 ALA H H 1 8.86 0.01 . 1 . . . . . . . . 4897 1 525 . 1 1 111 111 ALA N N 15 130.4 0.2 . 1 . . . . . . . . 4897 1 526 . 1 1 111 111 ALA CA C 13 50.5 0.2 . 1 . . . . . . . . 4897 1 527 . 1 1 111 111 ALA CB C 13 21.1 0.2 . 1 . . . . . . . . 4897 1 528 . 1 1 111 111 ALA C C 13 173.3 0.2 . 1 . . . . . . . . 4897 1 529 . 1 1 112 112 PHE H H 1 8.26 0.01 . 1 . . . . . . . . 4897 1 530 . 1 1 112 112 PHE N N 15 112.6 0.2 . 1 . . . . . . . . 4897 1 531 . 1 1 112 112 PHE CA C 13 56.2 0.2 . 1 . . . . . . . . 4897 1 532 . 1 1 112 112 PHE CB C 13 40.1 0.2 . 1 . . . . . . . . 4897 1 533 . 1 1 112 112 PHE C C 13 176.4 0.2 . 1 . . . . . . . . 4897 1 534 . 1 1 113 113 ASP H H 1 7.26 0.01 . 1 . . . . . . . . 4897 1 535 . 1 1 113 113 ASP N N 15 115.7 0.2 . 1 . . . . . . . . 4897 1 536 . 1 1 113 113 ASP CA C 13 55.0 0.2 . 1 . . . . . . . . 4897 1 537 . 1 1 113 113 ASP CB C 13 40.2 0.2 . 1 . . . . . . . . 4897 1 538 . 1 1 113 113 ASP C C 13 175.9 0.2 . 1 . . . . . . . . 4897 1 539 . 1 1 114 114 ALA H H 1 8.54 0.01 . 1 . . . . . . . . 4897 1 540 . 1 1 114 114 ALA N N 15 124.8 0.2 . 1 . . . . . . . . 4897 1 541 . 1 1 114 114 ALA CA C 13 51.3 0.2 . 1 . . . . . . . . 4897 1 542 . 1 1 114 114 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 4897 1 543 . 1 1 114 114 ALA C C 13 178.0 0.2 . 1 . . . . . . . . 4897 1 544 . 1 1 115 115 GLY H H 1 8.16 0.01 . 1 . . . . . . . . 4897 1 545 . 1 1 115 115 GLY N N 15 106.7 0.2 . 1 . . . . . . . . 4897 1 546 . 1 1 115 115 GLY CA C 13 44.2 0.2 . 1 . . . . . . . . 4897 1 547 . 1 1 115 115 GLY C C 13 170.8 0.2 . 1 . . . . . . . . 4897 1 548 . 1 1 116 116 ASN H H 1 8.36 0.01 . 1 . . . . . . . . 4897 1 549 . 1 1 116 116 ASN N N 15 117.0 0.2 . 1 . . . . . . . . 4897 1 550 . 1 1 116 116 ASN CA C 13 52.8 0.2 . 1 . . . . . . . . 4897 1 551 . 1 1 116 116 ASN CB C 13 38.2 0.2 . 1 . . . . . . . . 4897 1 552 . 1 1 116 116 ASN C C 13 176.1 0.2 . 1 . . . . . . . . 4897 1 553 . 1 1 117 117 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 4897 1 554 . 1 1 117 117 LEU N N 15 126.1 0.2 . 1 . . . . . . . . 4897 1 555 . 1 1 117 117 LEU CA C 13 52.8 0.2 . 1 . . . . . . . . 4897 1 556 . 1 1 117 117 LEU CB C 13 40.9 0.2 . 1 . . . . . . . . 4897 1 557 . 1 1 117 117 LEU C C 13 175.3 0.2 . 1 . . . . . . . . 4897 1 558 . 1 1 118 118 CYS H H 1 8.50 0.01 . 1 . . . . . . . . 4897 1 559 . 1 1 118 118 CYS N N 15 117.5 0.2 . 1 . . . . . . . . 4897 1 560 . 1 1 118 118 CYS CA C 13 57.1 0.2 . 1 . . . . . . . . 4897 1 561 . 1 1 118 118 CYS CB C 13 29.1 0.2 . 1 . . . . . . . . 4897 1 562 . 1 1 118 118 CYS C C 13 173.0 0.2 . 1 . . . . . . . . 4897 1 563 . 1 1 119 119 GLN H H 1 8.40 0.01 . 1 . . . . . . . . 4897 1 564 . 1 1 119 119 GLN N N 15 124.0 0.2 . 1 . . . . . . . . 4897 1 565 . 1 1 119 119 GLN CA C 13 58.1 0.2 . 1 . . . . . . . . 4897 1 566 . 1 1 119 119 GLN CB C 13 31.0 0.2 . 1 . . . . . . . . 4897 1 567 . 1 1 119 119 GLN C C 13 173.3 0.2 . 1 . . . . . . . . 4897 1 568 . 1 1 120 120 LYS H H 1 8.12 0.01 . 1 . . . . . . . . 4897 1 569 . 1 1 120 120 LYS N N 15 117.6 0.2 . 1 . . . . . . . . 4897 1 570 . 1 1 120 120 LYS CA C 13 53.3 0.2 . 1 . . . . . . . . 4897 1 571 . 1 1 120 120 LYS CB C 13 30.9 0.2 . 1 . . . . . . . . 4897 1 572 . 1 1 120 120 LYS C C 13 174.1 0.2 . 1 . . . . . . . . 4897 1 573 . 1 1 121 121 PRO CA C 13 63.3 0.2 . 1 . . . . . . . . 4897 1 574 . 1 1 121 121 PRO CB C 13 30.1 0.2 . 1 . . . . . . . . 4897 1 575 . 1 1 121 121 PRO C C 13 177.2 0.2 . 1 . . . . . . . . 4897 1 576 . 1 1 122 122 GLY H H 1 8.63 0.01 . 1 . . . . . . . . 4897 1 577 . 1 1 122 122 GLY N N 15 112.0 0.2 . 1 . . . . . . . . 4897 1 578 . 1 1 122 122 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . 4897 1 579 . 1 1 122 122 GLY C C 13 175.1 0.2 . 1 . . . . . . . . 4897 1 580 . 1 1 123 123 GLU H H 1 8.29 0.01 . 1 . . . . . . . . 4897 1 581 . 1 1 123 123 GLU N N 15 120.0 0.2 . 1 . . . . . . . . 4897 1 582 . 1 1 123 123 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 4897 1 583 . 1 1 123 123 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 4897 1 584 . 1 1 123 123 GLU C C 13 175.9 0.2 . 1 . . . . . . . . 4897 1 585 . 1 1 124 124 THR H H 1 8.32 0.01 . 1 . . . . . . . . 4897 1 586 . 1 1 124 124 THR N N 15 106.6 0.2 . 1 . . . . . . . . 4897 1 587 . 1 1 124 124 THR CA C 13 59.2 0.2 . 1 . . . . . . . . 4897 1 588 . 1 1 124 124 THR CB C 13 73.0 0.2 . 1 . . . . . . . . 4897 1 589 . 1 1 124 124 THR C C 13 175.6 0.2 . 1 . . . . . . . . 4897 1 590 . 1 1 125 125 THR H H 1 8.75 0.01 . 1 . . . . . . . . 4897 1 591 . 1 1 125 125 THR N N 15 112.7 0.2 . 1 . . . . . . . . 4897 1 592 . 1 1 125 125 THR CA C 13 61.3 0.2 . 1 . . . . . . . . 4897 1 593 . 1 1 125 125 THR CB C 13 70.1 0.2 . 1 . . . . . . . . 4897 1 594 . 1 1 125 125 THR C C 13 171.5 0.2 . 1 . . . . . . . . 4897 1 595 . 1 1 126 126 ARG H H 1 8.17 0.01 . 1 . . . . . . . . 4897 1 596 . 1 1 126 126 ARG N N 15 123.0 0.2 . 1 . . . . . . . . 4897 1 597 . 1 1 126 126 ARG CA C 13 55.7 0.2 . 1 . . . . . . . . 4897 1 598 . 1 1 126 126 ARG CB C 13 29.8 0.2 . 1 . . . . . . . . 4897 1 599 . 1 1 126 126 ARG C C 13 175.1 0.2 . 1 . . . . . . . . 4897 1 600 . 1 1 127 127 LEU H H 1 8.75 0.01 . 1 . . . . . . . . 4897 1 601 . 1 1 127 127 LEU N N 15 126.4 0.2 . 1 . . . . . . . . 4897 1 602 . 1 1 127 127 LEU CA C 13 53.4 0.2 . 1 . . . . . . . . 4897 1 603 . 1 1 127 127 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 4897 1 604 . 1 1 127 127 LEU C C 13 177.6 0.2 . 1 . . . . . . . . 4897 1 605 . 1 1 128 128 THR H H 1 8.13 0.01 . 1 . . . . . . . . 4897 1 606 . 1 1 128 128 THR N N 15 111.5 0.2 . 1 . . . . . . . . 4897 1 607 . 1 1 128 128 THR CA C 13 61.5 0.2 . 1 . . . . . . . . 4897 1 608 . 1 1 128 128 THR CB C 13 69.1 0.2 . 1 . . . . . . . . 4897 1 609 . 1 1 128 128 THR C C 13 174.9 0.2 . 1 . . . . . . . . 4897 1 610 . 1 1 129 129 GLU H H 1 10.15 0.01 . 1 . . . . . . . . 4897 1 611 . 1 1 129 129 GLU N N 15 126.0 0.2 . 1 . . . . . . . . 4897 1 612 . 1 1 129 129 GLU CA C 13 58.5 0.2 . 1 . . . . . . . . 4897 1 613 . 1 1 129 129 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 4897 1 614 . 1 1 129 129 GLU C C 13 174.2 0.2 . 1 . . . . . . . . 4897 1 615 . 1 1 130 130 LYS H H 1 7.34 0.01 . 1 . . . . . . . . 4897 1 616 . 1 1 130 130 LYS N N 15 117.4 0.2 . 1 . . . . . . . . 4897 1 617 . 1 1 130 130 LYS CA C 13 54.8 0.2 . 1 . . . . . . . . 4897 1 618 . 1 1 130 130 LYS CB C 13 34.3 0.2 . 1 . . . . . . . . 4897 1 619 . 1 1 130 130 LYS C C 13 173.6 0.2 . 1 . . . . . . . . 4897 1 620 . 1 1 131 131 PHE H H 1 5.78 0.01 . 1 . . . . . . . . 4897 1 621 . 1 1 131 131 PHE N N 15 118.7 0.2 . 1 . . . . . . . . 4897 1 622 . 1 1 131 131 PHE CA C 13 55.9 0.2 . 1 . . . . . . . . 4897 1 623 . 1 1 131 131 PHE CB C 13 42.7 0.2 . 1 . . . . . . . . 4897 1 624 . 1 1 131 131 PHE C C 13 174.4 0.2 . 1 . . . . . . . . 4897 1 625 . 1 1 132 132 ASP H H 1 7.96 0.01 . 1 . . . . . . . . 4897 1 626 . 1 1 132 132 ASP N N 15 117.7 0.2 . 1 . . . . . . . . 4897 1 627 . 1 1 132 132 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 4897 1 628 . 1 1 132 132 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 4897 1 629 . 1 1 132 132 ASP C C 13 177.2 0.2 . 1 . . . . . . . . 4897 1 630 . 1 1 133 133 ASP H H 1 8.59 0.01 . 1 . . . . . . . . 4897 1 631 . 1 1 133 133 ASP N N 15 120.6 0.2 . 1 . . . . . . . . 4897 1 632 . 1 1 133 133 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 4897 1 633 . 1 1 133 133 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 4897 1 634 . 1 1 133 133 ASP C C 13 175.1 0.2 . 1 . . . . . . . . 4897 1 635 . 1 1 134 134 ILE H H 1 7.75 0.01 . 1 . . . . . . . . 4897 1 636 . 1 1 134 134 ILE N N 15 117.5 0.2 . 1 . . . . . . . . 4897 1 637 . 1 1 134 134 ILE CA C 13 60.7 0.2 . 1 . . . . . . . . 4897 1 638 . 1 1 134 134 ILE CB C 13 39.0 0.2 . 1 . . . . . . . . 4897 1 639 . 1 1 134 134 ILE C C 13 174.0 0.2 . 1 . . . . . . . . 4897 1 640 . 1 1 135 135 ILE H H 1 8.30 0.01 . 1 . . . . . . . . 4897 1 641 . 1 1 135 135 ILE N N 15 124.3 0.2 . 1 . . . . . . . . 4897 1 642 . 1 1 135 135 ILE CA C 13 60.1 0.2 . 1 . . . . . . . . 4897 1 643 . 1 1 135 135 ILE CB C 13 37.3 0.2 . 1 . . . . . . . . 4897 1 644 . 1 1 135 135 ILE C C 13 174.9 0.2 . 1 . . . . . . . . 4897 1 645 . 1 1 136 136 PHE H H 1 8.16 0.01 . 1 . . . . . . . . 4897 1 646 . 1 1 136 136 PHE N N 15 127.4 0.2 . 1 . . . . . . . . 4897 1 647 . 1 1 136 136 PHE CA C 13 56.2 0.2 . 1 . . . . . . . . 4897 1 648 . 1 1 136 136 PHE CB C 13 41.3 0.2 . 1 . . . . . . . . 4897 1 649 . 1 1 136 136 PHE C C 13 173.8 0.2 . 1 . . . . . . . . 4897 1 650 . 1 1 137 137 LYS H H 1 9.00 0.01 . 1 . . . . . . . . 4897 1 651 . 1 1 137 137 LYS N N 15 114.8 0.2 . 1 . . . . . . . . 4897 1 652 . 1 1 137 137 LYS CA C 13 53.8 0.2 . 1 . . . . . . . . 4897 1 653 . 1 1 137 137 LYS CB C 13 35.5 0.2 . 1 . . . . . . . . 4897 1 654 . 1 1 137 137 LYS C C 13 174.7 0.2 . 1 . . . . . . . . 4897 1 655 . 1 1 138 138 VAL H H 1 8.02 0.01 . 1 . . . . . . . . 4897 1 656 . 1 1 138 138 VAL N N 15 118.7 0.2 . 1 . . . . . . . . 4897 1 657 . 1 1 138 138 VAL CA C 13 59.9 0.2 . 1 . . . . . . . . 4897 1 658 . 1 1 138 138 VAL CB C 13 33.4 0.2 . 1 . . . . . . . . 4897 1 659 . 1 1 138 138 VAL C C 13 173.4 0.2 . 1 . . . . . . . . 4897 1 660 . 1 1 139 139 ALA H H 1 9.03 0.01 . 1 . . . . . . . . 4897 1 661 . 1 1 139 139 ALA N N 15 126.0 0.2 . 1 . . . . . . . . 4897 1 662 . 1 1 139 139 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 4897 1 663 . 1 1 139 139 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 4897 1 664 . 1 1 139 139 ALA C C 13 176.9 0.2 . 1 . . . . . . . . 4897 1 665 . 1 1 140 140 LEU H H 1 8.83 0.01 . 1 . . . . . . . . 4897 1 666 . 1 1 140 140 LEU N N 15 124.8 0.2 . 1 . . . . . . . . 4897 1 667 . 1 1 140 140 LEU CA C 13 51.4 0.2 . 1 . . . . . . . . 4897 1 668 . 1 1 140 140 LEU CB C 13 39.5 0.2 . 1 . . . . . . . . 4897 1 669 . 1 1 140 140 LEU C C 13 174.8 0.2 . 1 . . . . . . . . 4897 1 670 . 1 1 141 141 PRO CA C 13 62.0 0.2 . 1 . . . . . . . . 4897 1 671 . 1 1 141 141 PRO CB C 13 41.5 0.2 . 1 . . . . . . . . 4897 1 672 . 1 1 141 141 PRO C C 13 177.2 0.2 . 1 . . . . . . . . 4897 1 673 . 1 1 142 142 ALA H H 1 8.51 0.01 . 1 . . . . . . . . 4897 1 674 . 1 1 142 142 ALA N N 15 121.1 0.2 . 1 . . . . . . . . 4897 1 675 . 1 1 142 142 ALA CA C 13 53.8 0.2 . 1 . . . . . . . . 4897 1 676 . 1 1 142 142 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 4897 1 677 . 1 1 142 142 ALA C C 13 177.6 0.2 . 1 . . . . . . . . 4897 1 678 . 1 1 143 143 ASP H H 1 8.16 0.01 . 1 . . . . . . . . 4897 1 679 . 1 1 143 143 ASP N N 15 127.6 0.2 . 1 . . . . . . . . 4897 1 680 . 1 1 143 143 ASP CA C 13 51.5 0.2 . 1 . . . . . . . . 4897 1 681 . 1 1 143 143 ASP CB C 13 38.5 0.2 . 1 . . . . . . . . 4897 1 682 . 1 1 143 143 ASP C C 13 175.3 0.2 . 1 . . . . . . . . 4897 1 683 . 1 1 144 144 LEU H H 1 7.22 0.01 . 1 . . . . . . . . 4897 1 684 . 1 1 144 144 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 4897 1 685 . 1 1 144 144 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 4897 1 686 . 1 1 144 144 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . 4897 1 687 . 1 1 144 144 LEU C C 13 175.6 0.2 . 1 . . . . . . . . 4897 1 688 . 1 1 145 145 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 4897 1 689 . 1 1 145 145 PRO CB C 13 30.9 0.2 . 1 . . . . . . . . 4897 1 690 . 1 1 145 145 PRO C C 13 179.5 0.2 . 1 . . . . . . . . 4897 1 691 . 1 1 146 146 LEU H H 1 8.79 0.01 . 1 . . . . . . . . 4897 1 692 . 1 1 146 146 LEU N N 15 126.1 0.2 . 1 . . . . . . . . 4897 1 693 . 1 1 146 146 LEU CA C 13 56.4 0.2 . 1 . . . . . . . . 4897 1 694 . 1 1 146 146 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 4897 1 695 . 1 1 146 146 LEU C C 13 177.2 0.2 . 1 . . . . . . . . 4897 1 696 . 1 1 147 147 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 4897 1 697 . 1 1 147 147 GLY N N 15 106.0 0.2 . 1 . . . . . . . . 4897 1 698 . 1 1 147 147 GLY CA C 13 43.7 0.2 . 1 . . . . . . . . 4897 1 699 . 1 1 147 147 GLY C C 13 171.5 0.2 . 1 . . . . . . . . 4897 1 700 . 1 1 148 148 ASP H H 1 8.13 0.01 . 1 . . . . . . . . 4897 1 701 . 1 1 148 148 ASP N N 15 118.4 0.2 . 1 . . . . . . . . 4897 1 702 . 1 1 148 148 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 4897 1 703 . 1 1 148 148 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 4897 1 704 . 1 1 148 148 ASP C C 13 175.4 0.2 . 1 . . . . . . . . 4897 1 705 . 1 1 149 149 TYR H H 1 9.03 0.01 . 1 . . . . . . . . 4897 1 706 . 1 1 149 149 TYR N N 15 120.2 0.2 . 1 . . . . . . . . 4897 1 707 . 1 1 149 149 TYR CA C 13 58.1 0.2 . 1 . . . . . . . . 4897 1 708 . 1 1 149 149 TYR CB C 13 41.1 0.2 . 1 . . . . . . . . 4897 1 709 . 1 1 149 149 TYR C C 13 175.0 0.2 . 1 . . . . . . . . 4897 1 710 . 1 1 150 150 SER H H 1 8.13 0.01 . 1 . . . . . . . . 4897 1 711 . 1 1 150 150 SER N N 15 116.7 0.2 . 1 . . . . . . . . 4897 1 712 . 1 1 150 150 SER CA C 13 56.1 0.2 . 1 . . . . . . . . 4897 1 713 . 1 1 150 150 SER CB C 13 62.6 0.2 . 1 . . . . . . . . 4897 1 714 . 1 1 150 150 SER C C 13 174.1 0.2 . 1 . . . . . . . . 4897 1 715 . 1 1 151 151 VAL H H 1 9.36 0.01 . 1 . . . . . . . . 4897 1 716 . 1 1 151 151 VAL N N 15 127.9 0.2 . 1 . . . . . . . . 4897 1 717 . 1 1 151 151 VAL CA C 13 60.5 0.2 . 1 . . . . . . . . 4897 1 718 . 1 1 151 151 VAL CB C 13 33.1 0.2 . 1 . . . . . . . . 4897 1 719 . 1 1 151 151 VAL C C 13 174.7 0.2 . 1 . . . . . . . . 4897 1 720 . 1 1 152 152 THR H H 1 8.66 0.01 . 1 . . . . . . . . 4897 1 721 . 1 1 152 152 THR N N 15 123.5 0.2 . 1 . . . . . . . . 4897 1 722 . 1 1 152 152 THR CA C 13 62.3 0.2 . 1 . . . . . . . . 4897 1 723 . 1 1 152 152 THR CB C 13 68.4 0.2 . 1 . . . . . . . . 4897 1 724 . 1 1 152 152 THR C C 13 173.9 0.2 . 1 . . . . . . . . 4897 1 725 . 1 1 153 153 ILE H H 1 9.38 0.01 . 1 . . . . . . . . 4897 1 726 . 1 1 153 153 ILE N N 15 127.2 0.2 . 1 . . . . . . . . 4897 1 727 . 1 1 153 153 ILE CA C 13 58.6 0.2 . 1 . . . . . . . . 4897 1 728 . 1 1 153 153 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 4897 1 729 . 1 1 153 153 ILE C C 13 173.3 0.2 . 1 . . . . . . . . 4897 1 730 . 1 1 154 154 PRO CA C 13 60.5 0.2 . 1 . . . . . . . . 4897 1 731 . 1 1 154 154 PRO CB C 13 30.9 0.2 . 1 . . . . . . . . 4897 1 732 . 1 1 154 154 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 4897 1 733 . 1 1 155 155 TYR H H 1 8.62 0.01 . 1 . . . . . . . . 4897 1 734 . 1 1 155 155 TYR N N 15 116.8 0.2 . 1 . . . . . . . . 4897 1 735 . 1 1 155 155 TYR CA C 13 56.4 0.2 . 1 . . . . . . . . 4897 1 736 . 1 1 155 155 TYR CB C 13 38.8 0.2 . 1 . . . . . . . . 4897 1 737 . 1 1 155 155 TYR C C 13 173.0 0.2 . 1 . . . . . . . . 4897 1 738 . 1 1 156 156 THR H H 1 8.56 0.01 . 1 . . . . . . . . 4897 1 739 . 1 1 156 156 THR N N 15 118.7 0.2 . 1 . . . . . . . . 4897 1 740 . 1 1 156 156 THR CA C 13 61.4 0.2 . 1 . . . . . . . . 4897 1 741 . 1 1 156 156 THR CB C 13 70.6 0.2 . 1 . . . . . . . . 4897 1 742 . 1 1 156 156 THR C C 13 174.5 0.2 . 1 . . . . . . . . 4897 1 743 . 1 1 157 157 SER H H 1 9.14 0.01 . 1 . . . . . . . . 4897 1 744 . 1 1 157 157 SER N N 15 121.0 0.2 . 1 . . . . . . . . 4897 1 745 . 1 1 157 157 SER CA C 13 56.8 0.2 . 1 . . . . . . . . 4897 1 746 . 1 1 157 157 SER CB C 13 66.0 0.2 . 1 . . . . . . . . 4897 1 747 . 1 1 157 157 SER C C 13 172.7 0.2 . 1 . . . . . . . . 4897 1 748 . 1 1 158 158 GLY H H 1 9.40 0.01 . 1 . . . . . . . . 4897 1 749 . 1 1 158 158 GLY N N 15 107.0 0.2 . 1 . . . . . . . . 4897 1 750 . 1 1 158 158 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 4897 1 751 . 1 1 158 158 GLY C C 13 172.0 0.2 . 1 . . . . . . . . 4897 1 752 . 1 1 159 159 ILE H H 1 8.65 0.01 . 1 . . . . . . . . 4897 1 753 . 1 1 159 159 ILE N N 15 116.3 0.2 . 1 . . . . . . . . 4897 1 754 . 1 1 159 159 ILE CA C 13 59.7 0.2 . 1 . . . . . . . . 4897 1 755 . 1 1 159 159 ILE CB C 13 41.7 0.2 . 1 . . . . . . . . 4897 1 756 . 1 1 159 159 ILE C C 13 174.5 0.2 . 1 . . . . . . . . 4897 1 757 . 1 1 160 160 GLN H H 1 10.01 0.01 . 1 . . . . . . . . 4897 1 758 . 1 1 160 160 GLN N N 15 126.4 0.2 . 1 . . . . . . . . 4897 1 759 . 1 1 160 160 GLN CA C 13 53.8 0.2 . 1 . . . . . . . . 4897 1 760 . 1 1 160 160 GLN CB C 13 30.4 0.2 . 1 . . . . . . . . 4897 1 761 . 1 1 160 160 GLN C C 13 174.7 0.2 . 1 . . . . . . . . 4897 1 762 . 1 1 161 161 ARG H H 1 9.80 0.01 . 1 . . . . . . . . 4897 1 763 . 1 1 161 161 ARG N N 15 127.3 0.2 . 1 . . . . . . . . 4897 1 764 . 1 1 161 161 ARG CA C 13 56.1 0.2 . 1 . . . . . . . . 4897 1 765 . 1 1 161 161 ARG CB C 13 31.1 0.2 . 1 . . . . . . . . 4897 1 766 . 1 1 161 161 ARG C C 13 172.7 0.2 . 1 . . . . . . . . 4897 1 767 . 1 1 162 162 HIS H H 1 9.02 0.01 . 1 . . . . . . . . 4897 1 768 . 1 1 162 162 HIS N N 15 122.6 0.2 . 1 . . . . . . . . 4897 1 769 . 1 1 162 162 HIS CA C 13 51.3 0.2 . 1 . . . . . . . . 4897 1 770 . 1 1 162 162 HIS C C 13 172.6 0.2 . 1 . . . . . . . . 4897 1 771 . 1 1 163 163 PHE H H 1 10.44 0.01 . 1 . . . . . . . . 4897 1 772 . 1 1 163 163 PHE N N 15 129.1 0.2 . 1 . . . . . . . . 4897 1 773 . 1 1 163 163 PHE CA C 13 54.6 0.2 . 1 . . . . . . . . 4897 1 774 . 1 1 163 163 PHE CB C 13 41.0 0.2 . 1 . . . . . . . . 4897 1 775 . 1 1 163 163 PHE C C 13 173.5 0.2 . 1 . . . . . . . . 4897 1 776 . 1 1 164 164 ALA H H 1 9.33 0.01 . 1 . . . . . . . . 4897 1 777 . 1 1 164 164 ALA N N 15 124.4 0.2 . 1 . . . . . . . . 4897 1 778 . 1 1 164 164 ALA CA C 13 49.6 0.2 . 1 . . . . . . . . 4897 1 779 . 1 1 164 164 ALA CB C 13 23.9 0.2 . 1 . . . . . . . . 4897 1 780 . 1 1 164 164 ALA C C 13 176.9 0.2 . 1 . . . . . . . . 4897 1 781 . 1 1 165 165 SER H H 1 6.95 0.01 . 1 . . . . . . . . 4897 1 782 . 1 1 165 165 SER N N 15 109.3 0.2 . 1 . . . . . . . . 4897 1 783 . 1 1 165 165 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 4897 1 784 . 1 1 165 165 SER C C 13 173.8 0.2 . 1 . . . . . . . . 4897 1 785 . 1 1 166 166 TYR H H 1 6.66 0.01 . 1 . . . . . . . . 4897 1 786 . 1 1 166 166 TYR N N 15 115.9 0.2 . 1 . . . . . . . . 4897 1 787 . 1 1 166 166 TYR CA C 13 53.5 0.2 . 1 . . . . . . . . 4897 1 788 . 1 1 166 166 TYR CB C 13 39.7 0.2 . 1 . . . . . . . . 4897 1 789 . 1 1 166 166 TYR C C 13 171.7 0.2 . 1 . . . . . . . . 4897 1 790 . 1 1 167 167 LEU H H 1 7.62 0.01 . 1 . . . . . . . . 4897 1 791 . 1 1 167 167 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 4897 1 792 . 1 1 167 167 LEU CA C 13 54.3 0.2 . 1 . . . . . . . . 4897 1 793 . 1 1 167 167 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . 4897 1 794 . 1 1 167 167 LEU C C 13 177.0 0.2 . 1 . . . . . . . . 4897 1 795 . 1 1 168 168 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . 4897 1 796 . 1 1 168 168 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 4897 1 797 . 1 1 169 169 ALA H H 1 7.55 0.01 . 1 . . . . . . . . 4897 1 798 . 1 1 169 169 ALA N N 15 124.0 0.2 . 1 . . . . . . . . 4897 1 799 . 1 1 169 169 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 4897 1 800 . 1 1 169 169 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 4897 1 801 . 1 1 169 169 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 4897 1 802 . 1 1 170 170 ARG H H 1 8.28 0.01 . 1 . . . . . . . . 4897 1 803 . 1 1 170 170 ARG N N 15 123.3 0.2 . 1 . . . . . . . . 4897 1 804 . 1 1 170 170 ARG CA C 13 52.9 0.2 . 1 . . . . . . . . 4897 1 805 . 1 1 170 170 ARG CB C 13 31.9 0.2 . 1 . . . . . . . . 4897 1 806 . 1 1 170 170 ARG C C 13 175.5 0.2 . 1 . . . . . . . . 4897 1 807 . 1 1 171 171 PHE CA C 13 57.9 0.2 . 1 . . . . . . . . 4897 1 808 . 1 1 171 171 PHE C C 13 173.3 0.2 . 1 . . . . . . . . 4897 1 809 . 1 1 172 172 LYS H H 1 7.35 0.01 . 1 . . . . . . . . 4897 1 810 . 1 1 172 172 LYS N N 15 127.5 0.2 . 1 . . . . . . . . 4897 1 811 . 1 1 172 172 LYS CA C 13 54.7 0.2 . 1 . . . . . . . . 4897 1 812 . 1 1 172 172 LYS CB C 13 34.4 0.2 . 1 . . . . . . . . 4897 1 813 . 1 1 172 172 LYS C C 13 174.0 0.2 . 1 . . . . . . . . 4897 1 814 . 1 1 173 173 ILE H H 1 7.17 0.01 . 1 . . . . . . . . 4897 1 815 . 1 1 173 173 ILE N N 15 123.6 0.2 . 1 . . . . . . . . 4897 1 816 . 1 1 173 173 ILE CA C 13 60.3 0.2 . 1 . . . . . . . . 4897 1 817 . 1 1 173 173 ILE CB C 13 37.7 0.2 . 1 . . . . . . . . 4897 1 818 . 1 1 173 173 ILE C C 13 173.0 0.2 . 1 . . . . . . . . 4897 1 819 . 1 1 174 174 PRO CA C 13 62.3 0.2 . 1 . . . . . . . . 4897 1 820 . 1 1 174 174 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . 4897 1 821 . 1 1 174 174 PRO C C 13 178.6 0.2 . 1 . . . . . . . . 4897 1 822 . 1 1 175 175 TYR H H 1 7.55 0.01 . 1 . . . . . . . . 4897 1 823 . 1 1 175 175 TYR N N 15 123.0 0.2 . 1 . . . . . . . . 4897 1 824 . 1 1 175 175 TYR CA C 13 61.3 0.2 . 1 . . . . . . . . 4897 1 825 . 1 1 175 175 TYR CB C 13 36.3 0.2 . 1 . . . . . . . . 4897 1 826 . 1 1 175 175 TYR C C 13 177.0 0.2 . 1 . . . . . . . . 4897 1 827 . 1 1 176 176 ASN H H 1 8.75 0.01 . 1 . . . . . . . . 4897 1 828 . 1 1 176 176 ASN N N 15 111.8 0.2 . 1 . . . . . . . . 4897 1 829 . 1 1 176 176 ASN CA C 13 55.4 0.2 . 1 . . . . . . . . 4897 1 830 . 1 1 176 176 ASN CB C 13 36.2 0.2 . 1 . . . . . . . . 4897 1 831 . 1 1 176 176 ASN C C 13 177.3 0.2 . 1 . . . . . . . . 4897 1 832 . 1 1 177 177 VAL H H 1 6.90 0.01 . 1 . . . . . . . . 4897 1 833 . 1 1 177 177 VAL N N 15 119.3 0.2 . 1 . . . . . . . . 4897 1 834 . 1 1 177 177 VAL CA C 13 64.2 0.2 . 1 . . . . . . . . 4897 1 835 . 1 1 177 177 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 4897 1 836 . 1 1 177 177 VAL C C 13 178.5 0.2 . 1 . . . . . . . . 4897 1 837 . 1 1 178 178 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 4897 1 838 . 1 1 178 178 ALA N N 15 122.9 0.2 . 1 . . . . . . . . 4897 1 839 . 1 1 178 178 ALA CA C 13 53.9 0.2 . 1 . . . . . . . . 4897 1 840 . 1 1 178 178 ALA CB C 13 16.9 0.2 . 1 . . . . . . . . 4897 1 841 . 1 1 178 178 ALA C C 13 178.9 0.2 . 1 . . . . . . . . 4897 1 842 . 1 1 179 179 LYS H H 1 8.02 0.01 . 1 . . . . . . . . 4897 1 843 . 1 1 179 179 LYS N N 15 112.0 0.2 . 1 . . . . . . . . 4897 1 844 . 1 1 179 179 LYS CA C 13 58.5 0.2 . 1 . . . . . . . . 4897 1 845 . 1 1 179 179 LYS CB C 13 31.7 0.2 . 1 . . . . . . . . 4897 1 846 . 1 1 179 179 LYS C C 13 176.4 0.2 . 1 . . . . . . . . 4897 1 847 . 1 1 180 180 THR H H 1 7.53 0.01 . 1 . . . . . . . . 4897 1 848 . 1 1 180 180 THR N N 15 107.0 0.2 . 1 . . . . . . . . 4897 1 849 . 1 1 180 180 THR CA C 13 60.8 0.2 . 1 . . . . . . . . 4897 1 850 . 1 1 180 180 THR CB C 13 69.1 0.2 . 1 . . . . . . . . 4897 1 851 . 1 1 180 180 THR C C 13 174.3 0.2 . 1 . . . . . . . . 4897 1 852 . 1 1 181 181 LEU H H 1 6.86 0.01 . 1 . . . . . . . . 4897 1 853 . 1 1 181 181 LEU N N 15 123.3 0.2 . 1 . . . . . . . . 4897 1 854 . 1 1 181 181 LEU CA C 13 53.2 0.2 . 1 . . . . . . . . 4897 1 855 . 1 1 181 181 LEU CB C 13 38.9 0.2 . 1 . . . . . . . . 4897 1 856 . 1 1 181 181 LEU C C 13 174.7 0.2 . 1 . . . . . . . . 4897 1 857 . 1 1 182 182 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 4897 1 858 . 1 1 182 182 PRO CB C 13 30.9 0.2 . 1 . . . . . . . . 4897 1 859 . 1 1 182 182 PRO C C 13 177.1 0.2 . 1 . . . . . . . . 4897 1 860 . 1 1 183 183 ARG H H 1 8.70 0.01 . 1 . . . . . . . . 4897 1 861 . 1 1 183 183 ARG N N 15 126.9 0.2 . 1 . . . . . . . . 4897 1 862 . 1 1 183 183 ARG CA C 13 54.5 0.2 . 1 . . . . . . . . 4897 1 863 . 1 1 183 183 ARG CB C 13 27.4 0.2 . 1 . . . . . . . . 4897 1 864 . 1 1 183 183 ARG C C 13 175.6 0.2 . 1 . . . . . . . . 4897 1 865 . 1 1 184 184 GLU H H 1 7.34 0.01 . 1 . . . . . . . . 4897 1 866 . 1 1 184 184 GLU N N 15 117.4 0.2 . 1 . . . . . . . . 4897 1 867 . 1 1 184 184 GLU CA C 13 56.5 0.2 . 1 . . . . . . . . 4897 1 868 . 1 1 184 184 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 4897 1 869 . 1 1 184 184 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 4897 1 870 . 1 1 185 185 ASN H H 1 8.21 0.01 . 1 . . . . . . . . 4897 1 871 . 1 1 185 185 ASN N N 15 115.2 0.2 . 1 . . . . . . . . 4897 1 872 . 1 1 185 185 ASN CA C 13 51.5 0.2 . 1 . . . . . . . . 4897 1 873 . 1 1 185 185 ASN CB C 13 39.0 0.2 . 1 . . . . . . . . 4897 1 874 . 1 1 185 185 ASN C C 13 174.9 0.2 . 1 . . . . . . . . 4897 1 875 . 1 1 186 186 GLU H H 1 8.31 0.01 . 1 . . . . . . . . 4897 1 876 . 1 1 186 186 GLU N N 15 116.4 0.2 . 1 . . . . . . . . 4897 1 877 . 1 1 186 186 GLU CA C 13 55.1 0.2 . 1 . . . . . . . . 4897 1 878 . 1 1 186 186 GLU CB C 13 32.4 0.2 . 1 . . . . . . . . 4897 1 879 . 1 1 186 186 GLU C C 13 175.0 0.2 . 1 . . . . . . . . 4897 1 880 . 1 1 187 187 MET H H 1 8.75 0.01 . 1 . . . . . . . . 4897 1 881 . 1 1 187 187 MET N N 15 124.4 0.2 . 1 . . . . . . . . 4897 1 882 . 1 1 187 187 MET CA C 13 52.5 0.2 . 1 . . . . . . . . 4897 1 883 . 1 1 187 187 MET CB C 13 31.5 0.2 . 1 . . . . . . . . 4897 1 884 . 1 1 187 187 MET C C 13 173.7 0.2 . 1 . . . . . . . . 4897 1 885 . 1 1 188 188 LEU H H 1 9.14 0.01 . 1 . . . . . . . . 4897 1 886 . 1 1 188 188 LEU N N 15 130.4 0.2 . 1 . . . . . . . . 4897 1 887 . 1 1 188 188 LEU CA C 13 53.6 0.2 . 1 . . . . . . . . 4897 1 888 . 1 1 188 188 LEU CB C 13 40.5 0.2 . 1 . . . . . . . . 4897 1 889 . 1 1 188 188 LEU C C 13 174.0 0.2 . 1 . . . . . . . . 4897 1 890 . 1 1 189 189 PHE H H 1 9.26 0.01 . 1 . . . . . . . . 4897 1 891 . 1 1 189 189 PHE N N 15 126.3 0.2 . 1 . . . . . . . . 4897 1 892 . 1 1 189 189 PHE CA C 13 54.5 0.2 . 1 . . . . . . . . 4897 1 893 . 1 1 189 189 PHE CB C 13 39.8 0.2 . 1 . . . . . . . . 4897 1 894 . 1 1 189 189 PHE C C 13 173.0 0.2 . 1 . . . . . . . . 4897 1 895 . 1 1 190 190 LEU H H 1 8.35 0.01 . 1 . . . . . . . . 4897 1 896 . 1 1 190 190 LEU N N 15 128.6 0.2 . 1 . . . . . . . . 4897 1 897 . 1 1 190 190 LEU CA C 13 53.0 0.2 . 1 . . . . . . . . 4897 1 898 . 1 1 190 190 LEU CB C 13 43.0 0.2 . 1 . . . . . . . . 4897 1 899 . 1 1 190 190 LEU C C 13 175.2 0.2 . 1 . . . . . . . . 4897 1 900 . 1 1 191 191 PHE H H 1 8.14 0.01 . 1 . . . . . . . . 4897 1 901 . 1 1 191 191 PHE N N 15 113.7 0.2 . 1 . . . . . . . . 4897 1 902 . 1 1 191 191 PHE CA C 13 56.8 0.2 . 1 . . . . . . . . 4897 1 903 . 1 1 191 191 PHE CB C 13 38.5 0.2 . 1 . . . . . . . . 4897 1 904 . 1 1 191 191 PHE C C 13 171.9 0.2 . 1 . . . . . . . . 4897 1 905 . 1 1 192 192 LYS H H 1 8.74 0.01 . 1 . . . . . . . . 4897 1 906 . 1 1 192 192 LYS N N 15 121.0 0.2 . 1 . . . . . . . . 4897 1 907 . 1 1 192 192 LYS CA C 13 54.3 0.2 . 1 . . . . . . . . 4897 1 908 . 1 1 192 192 LYS CB C 13 33.7 0.2 . 1 . . . . . . . . 4897 1 909 . 1 1 192 192 LYS C C 13 175.7 0.2 . 1 . . . . . . . . 4897 1 910 . 1 1 193 193 ASN H H 1 9.32 0.01 . 1 . . . . . . . . 4897 1 911 . 1 1 193 193 ASN N N 15 123.8 0.2 . 1 . . . . . . . . 4897 1 912 . 1 1 193 193 ASN CA C 13 51.6 0.2 . 1 . . . . . . . . 4897 1 913 . 1 1 193 193 ASN CB C 13 38.4 0.2 . 1 . . . . . . . . 4897 1 914 . 1 1 193 193 ASN C C 13 176.6 0.2 . 1 . . . . . . . . 4897 1 915 . 1 1 194 194 ILE H H 1 8.96 0.01 . 1 . . . . . . . . 4897 1 916 . 1 1 194 194 ILE N N 15 121.5 0.2 . 1 . . . . . . . . 4897 1 917 . 1 1 194 194 ILE CA C 13 60.6 0.2 . 1 . . . . . . . . 4897 1 918 . 1 1 194 194 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 4897 1 919 . 1 1 194 194 ILE C C 13 176.4 0.2 . 1 . . . . . . . . 4897 1 920 . 1 1 195 195 GLY H H 1 8.37 0.01 . 1 . . . . . . . . 4897 1 921 . 1 1 195 195 GLY N N 15 111.0 0.2 . 1 . . . . . . . . 4897 1 922 . 1 1 195 195 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 4897 1 923 . 1 1 195 195 GLY C C 13 173.4 0.2 . 1 . . . . . . . . 4897 1 924 . 1 1 196 196 GLY H H 1 8.42 0.01 . 1 . . . . . . . . 4897 1 925 . 1 1 196 196 GLY N N 15 108.9 0.2 . 1 . . . . . . . . 4897 1 926 . 1 1 196 196 GLY CA C 13 44.5 0.2 . 1 . . . . . . . . 4897 1 927 . 1 1 196 196 GLY C C 13 174.0 0.2 . 1 . . . . . . . . 4897 1 928 . 1 1 197 197 LEU H H 1 8.27 0.01 . 1 . . . . . . . . 4897 1 929 . 1 1 197 197 LEU N N 15 120.4 0.2 . 1 . . . . . . . . 4897 1 930 . 1 1 197 197 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 4897 1 931 . 1 1 197 197 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 4897 1 932 . 1 1 197 197 LEU C C 13 177.2 0.2 . 1 . . . . . . . . 4897 1 933 . 1 1 198 198 GLU H H 1 8.56 0.01 . 1 . . . . . . . . 4897 1 934 . 1 1 198 198 GLU N N 15 120.5 0.2 . 1 . . . . . . . . 4897 1 935 . 1 1 198 198 GLU CA C 13 56.1 0.2 . 1 . . . . . . . . 4897 1 936 . 1 1 198 198 GLU CB C 13 35.2 0.2 . 1 . . . . . . . . 4897 1 937 . 1 1 198 198 GLU C C 13 177.2 0.2 . 1 . . . . . . . . 4897 1 stop_ save_