data_4323 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4323 _Entry.Title ; 1H, 13C, 15N NMR backbone assignments of 37 kDa surface antigen OspC from Borrelia burgdorferi ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-03-22 _Entry.Accession_date 1999-03-23 _Entry.Last_release_date 2000-12-15 _Entry.Original_release_date 2000-12-15 _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 Xiaolin Huang . . . 4323 2 Karl Link . . . 4323 3 Akiko Koide . . . 4323 4 J. Dunn . J. . 4323 5 B. Luft . J. . 4323 6 Shohei Koide . . . 4323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 495 4323 '15N chemical shifts' 168 4323 '1H chemical shifts' 168 4323 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 . . 2000-12-15 1999-03-22 original author . 4323 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4323 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99410892 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Huang, X., Link, K., Koide, A., Dunn, J.J., Luft, B.J., and Koide, S.,"1H, 13C, and 15N NMR Backbone Assignments of 37 kDa Surface Antigen OspC from Borrelia burgdorferi," J. Biomol. NMR 14, 283-284 (1999). ; _Citation.Title ; 1H, 13C, 15N NMR backbone assignments of 37 kDa surface antigen OspC from Borrelia burgdorferi ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 14 _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 283 _Citation.Page_last 284 _Citation.Year 1999 _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 Xiaolin Huang . . . 4323 1 2 Karl Link . . . 4323 1 3 Akiko Koide . . . 4323 1 4 J. Dunn . J. . 4323 1 5 B. Luft . J. . 4323 1 6 Shohei Koide . . . 4323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_OspC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_OspC _Assembly.Entry_ID 4323 _Assembly.ID 1 _Assembly.Name 'outer surface protein C' _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 present' _Assembly.Molecular_mass 37132 _Assembly.Enzyme_commission_number . _Assembly.Details ; OspC exists a dimer in solution. The protein used for this study correspounds to residues 38-210 plus the first Met residue which comes from the expression vector. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4323 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 'OspC monomer 1' 1 $OspC . . . Native . . 1 . . 4323 1 2 'OspC monomer 2' 1 $OspC . . . Native . . 1 . . 4323 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID OspC abbreviation 4323 1 'outer surface protein C' system 4323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OspC _Entity.Sf_category entity _Entity.Sf_framecode OspC _Entity.Entry_ID 4323 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'outer surface protein C' _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 ; MKGPNLTEISKKITDSNAVL LAVKEVEALLSSIDEIAAKA IGKKIHQNNGLDTENNHNGS LLAGAYAISTLIKQKLDGLK NEGLKEKIDAAKKCSETFTN KLKEKHTDLGKEGVTDADAK EAILKTNGTKTKGAEELGKL FESVEVLSKAAKEMLANSVK ELTSPVVAESPKKP ; _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 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GGQ . "Outer Surface Protein C (ospc) Of Borrelia Burgdorferi Strain B31" . . . . . 100.00 174 100.00 100.00 6.01e-115 . . . . 4323 1 2 no DBJ BAA08457 . "outer surface protein C [Borrelia burgdorferi]" . . . . . 100.00 210 99.43 100.00 9.16e-114 . . . . 4323 1 3 no EMBL CAA49306 . "outer surface protein C [Borrelia burgdorferi]" . . . . . 100.00 210 99.43 100.00 9.16e-114 . . . . 4323 1 4 no EMBL CAA52001 . "outer surface protein C, partial [Borrelia burgdorferi]" . . . . . 96.55 178 98.21 98.81 1.28e-106 . . . . 4323 1 5 no EMBL CAA59254 . "outer surface protein C, partial [Borrelia burgdorferi]" . . . . . 95.98 177 98.80 99.40 3.60e-108 . . . . 4323 1 6 no EMBL CAG44432 . "outer surface protein C [Borrelia burgdorferi]" . . . . . 100.00 210 99.43 100.00 9.16e-114 . . . . 4323 1 7 no EMBL CAG44433 . "outer surface protein C [Borrelia burgdorferi]" . . . . . 100.00 210 99.43 100.00 9.16e-114 . . . . 4323 1 8 no GB AAA16058 . "outer surface protein C [Borrelia burgdorferi]" . . . . . 100.00 210 99.43 100.00 9.16e-114 . . . . 4323 1 9 no GB AAB06569 . "outer surface protein, partial [Borrelia burgdorferi]" . . . . . 100.00 191 99.43 100.00 5.87e-114 . . . . 4323 1 10 no GB AAB36995 . "outer surface protein C, partial [Borrelia burgdorferi]" . . . . . 100.00 192 99.43 100.00 7.89e-114 . . . . 4323 1 11 no GB AAB81889 . "outer surface protein C, partial [Borrelia burgdorferi]" . . . . . 86.21 175 99.33 100.00 8.42e-96 . . . . 4323 1 12 no GB AAB81894 . "outer surface protein C, partial [Borrelia burgdorferi]" . . . . . 96.55 182 99.40 100.00 3.54e-109 . . . . 4323 1 13 no PRF 2003376B . "outer surface protein [Borrelia burgdorferi]" . . . . . 100.00 210 99.43 100.00 9.16e-114 . . . . 4323 1 14 no REF NP_047005 . "outer surface protein C [Borrelia burgdorferi B31]" . . . . . 100.00 210 99.43 100.00 9.16e-114 . . . . 4323 1 15 no REF WP_010890595 . "outer surface protein C [Borrelia burgdorferi]" . . . . . 100.00 210 99.43 100.00 9.16e-114 . . . . 4323 1 16 no SP Q07337 . "RecName: Full=Outer surface protein C; Short=PC; Flags: Precursor" . . . . . 100.00 210 99.43 100.00 9.16e-114 . . . . 4323 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'outer surface protein C' common 4323 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 37 MET . 4323 1 2 38 LYS . 4323 1 3 39 GLY . 4323 1 4 40 PRO . 4323 1 5 41 ASN . 4323 1 6 42 LEU . 4323 1 7 43 THR . 4323 1 8 44 GLU . 4323 1 9 45 ILE . 4323 1 10 46 SER . 4323 1 11 47 LYS . 4323 1 12 48 LYS . 4323 1 13 49 ILE . 4323 1 14 50 THR . 4323 1 15 51 ASP . 4323 1 16 52 SER . 4323 1 17 53 ASN . 4323 1 18 54 ALA . 4323 1 19 55 VAL . 4323 1 20 56 LEU . 4323 1 21 57 LEU . 4323 1 22 58 ALA . 4323 1 23 59 VAL . 4323 1 24 60 LYS . 4323 1 25 61 GLU . 4323 1 26 62 VAL . 4323 1 27 63 GLU . 4323 1 28 64 ALA . 4323 1 29 65 LEU . 4323 1 30 66 LEU . 4323 1 31 67 SER . 4323 1 32 68 SER . 4323 1 33 69 ILE . 4323 1 34 70 ASP . 4323 1 35 71 GLU . 4323 1 36 72 ILE . 4323 1 37 73 ALA . 4323 1 38 74 ALA . 4323 1 39 75 LYS . 4323 1 40 76 ALA . 4323 1 41 77 ILE . 4323 1 42 78 GLY . 4323 1 43 79 LYS . 4323 1 44 80 LYS . 4323 1 45 81 ILE . 4323 1 46 82 HIS . 4323 1 47 83 GLN . 4323 1 48 84 ASN . 4323 1 49 85 ASN . 4323 1 50 86 GLY . 4323 1 51 87 LEU . 4323 1 52 88 ASP . 4323 1 53 89 THR . 4323 1 54 90 GLU . 4323 1 55 91 ASN . 4323 1 56 92 ASN . 4323 1 57 93 HIS . 4323 1 58 94 ASN . 4323 1 59 95 GLY . 4323 1 60 96 SER . 4323 1 61 97 LEU . 4323 1 62 98 LEU . 4323 1 63 99 ALA . 4323 1 64 100 GLY . 4323 1 65 101 ALA . 4323 1 66 102 TYR . 4323 1 67 103 ALA . 4323 1 68 104 ILE . 4323 1 69 105 SER . 4323 1 70 106 THR . 4323 1 71 107 LEU . 4323 1 72 108 ILE . 4323 1 73 109 LYS . 4323 1 74 110 GLN . 4323 1 75 111 LYS . 4323 1 76 112 LEU . 4323 1 77 113 ASP . 4323 1 78 114 GLY . 4323 1 79 115 LEU . 4323 1 80 116 LYS . 4323 1 81 117 ASN . 4323 1 82 118 GLU . 4323 1 83 119 GLY . 4323 1 84 120 LEU . 4323 1 85 121 LYS . 4323 1 86 122 GLU . 4323 1 87 123 LYS . 4323 1 88 124 ILE . 4323 1 89 125 ASP . 4323 1 90 126 ALA . 4323 1 91 127 ALA . 4323 1 92 128 LYS . 4323 1 93 129 LYS . 4323 1 94 130 CYS . 4323 1 95 131 SER . 4323 1 96 132 GLU . 4323 1 97 133 THR . 4323 1 98 134 PHE . 4323 1 99 135 THR . 4323 1 100 136 ASN . 4323 1 101 137 LYS . 4323 1 102 138 LEU . 4323 1 103 139 LYS . 4323 1 104 140 GLU . 4323 1 105 141 LYS . 4323 1 106 142 HIS . 4323 1 107 143 THR . 4323 1 108 144 ASP . 4323 1 109 145 LEU . 4323 1 110 146 GLY . 4323 1 111 147 LYS . 4323 1 112 148 GLU . 4323 1 113 149 GLY . 4323 1 114 150 VAL . 4323 1 115 151 THR . 4323 1 116 152 ASP . 4323 1 117 153 ALA . 4323 1 118 154 ASP . 4323 1 119 155 ALA . 4323 1 120 156 LYS . 4323 1 121 157 GLU . 4323 1 122 158 ALA . 4323 1 123 159 ILE . 4323 1 124 160 LEU . 4323 1 125 161 LYS . 4323 1 126 162 THR . 4323 1 127 163 ASN . 4323 1 128 164 GLY . 4323 1 129 165 THR . 4323 1 130 166 LYS . 4323 1 131 167 THR . 4323 1 132 168 LYS . 4323 1 133 169 GLY . 4323 1 134 170 ALA . 4323 1 135 171 GLU . 4323 1 136 172 GLU . 4323 1 137 173 LEU . 4323 1 138 174 GLY . 4323 1 139 175 LYS . 4323 1 140 176 LEU . 4323 1 141 177 PHE . 4323 1 142 178 GLU . 4323 1 143 179 SER . 4323 1 144 180 VAL . 4323 1 145 181 GLU . 4323 1 146 182 VAL . 4323 1 147 183 LEU . 4323 1 148 184 SER . 4323 1 149 185 LYS . 4323 1 150 186 ALA . 4323 1 151 187 ALA . 4323 1 152 188 LYS . 4323 1 153 189 GLU . 4323 1 154 190 MET . 4323 1 155 191 LEU . 4323 1 156 192 ALA . 4323 1 157 193 ASN . 4323 1 158 194 SER . 4323 1 159 195 VAL . 4323 1 160 196 LYS . 4323 1 161 197 GLU . 4323 1 162 198 LEU . 4323 1 163 199 THR . 4323 1 164 200 SER . 4323 1 165 201 PRO . 4323 1 166 202 VAL . 4323 1 167 203 VAL . 4323 1 168 204 ALA . 4323 1 169 205 GLU . 4323 1 170 206 SER . 4323 1 171 207 PRO . 4323 1 172 208 LYS . 4323 1 173 209 LYS . 4323 1 174 210 PRO . 4323 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4323 1 . LYS 2 2 4323 1 . GLY 3 3 4323 1 . PRO 4 4 4323 1 . ASN 5 5 4323 1 . LEU 6 6 4323 1 . THR 7 7 4323 1 . GLU 8 8 4323 1 . ILE 9 9 4323 1 . SER 10 10 4323 1 . LYS 11 11 4323 1 . LYS 12 12 4323 1 . ILE 13 13 4323 1 . THR 14 14 4323 1 . ASP 15 15 4323 1 . SER 16 16 4323 1 . ASN 17 17 4323 1 . ALA 18 18 4323 1 . VAL 19 19 4323 1 . LEU 20 20 4323 1 . LEU 21 21 4323 1 . ALA 22 22 4323 1 . VAL 23 23 4323 1 . LYS 24 24 4323 1 . GLU 25 25 4323 1 . VAL 26 26 4323 1 . GLU 27 27 4323 1 . ALA 28 28 4323 1 . LEU 29 29 4323 1 . LEU 30 30 4323 1 . SER 31 31 4323 1 . SER 32 32 4323 1 . ILE 33 33 4323 1 . ASP 34 34 4323 1 . GLU 35 35 4323 1 . ILE 36 36 4323 1 . ALA 37 37 4323 1 . ALA 38 38 4323 1 . LYS 39 39 4323 1 . ALA 40 40 4323 1 . ILE 41 41 4323 1 . GLY 42 42 4323 1 . LYS 43 43 4323 1 . LYS 44 44 4323 1 . ILE 45 45 4323 1 . HIS 46 46 4323 1 . GLN 47 47 4323 1 . ASN 48 48 4323 1 . ASN 49 49 4323 1 . GLY 50 50 4323 1 . LEU 51 51 4323 1 . ASP 52 52 4323 1 . THR 53 53 4323 1 . GLU 54 54 4323 1 . ASN 55 55 4323 1 . ASN 56 56 4323 1 . HIS 57 57 4323 1 . ASN 58 58 4323 1 . GLY 59 59 4323 1 . SER 60 60 4323 1 . LEU 61 61 4323 1 . LEU 62 62 4323 1 . ALA 63 63 4323 1 . GLY 64 64 4323 1 . ALA 65 65 4323 1 . TYR 66 66 4323 1 . ALA 67 67 4323 1 . ILE 68 68 4323 1 . SER 69 69 4323 1 . THR 70 70 4323 1 . LEU 71 71 4323 1 . ILE 72 72 4323 1 . LYS 73 73 4323 1 . GLN 74 74 4323 1 . LYS 75 75 4323 1 . LEU 76 76 4323 1 . ASP 77 77 4323 1 . GLY 78 78 4323 1 . LEU 79 79 4323 1 . LYS 80 80 4323 1 . ASN 81 81 4323 1 . GLU 82 82 4323 1 . GLY 83 83 4323 1 . LEU 84 84 4323 1 . LYS 85 85 4323 1 . GLU 86 86 4323 1 . LYS 87 87 4323 1 . ILE 88 88 4323 1 . ASP 89 89 4323 1 . ALA 90 90 4323 1 . ALA 91 91 4323 1 . LYS 92 92 4323 1 . LYS 93 93 4323 1 . CYS 94 94 4323 1 . SER 95 95 4323 1 . GLU 96 96 4323 1 . THR 97 97 4323 1 . PHE 98 98 4323 1 . THR 99 99 4323 1 . ASN 100 100 4323 1 . LYS 101 101 4323 1 . LEU 102 102 4323 1 . LYS 103 103 4323 1 . GLU 104 104 4323 1 . LYS 105 105 4323 1 . HIS 106 106 4323 1 . THR 107 107 4323 1 . ASP 108 108 4323 1 . LEU 109 109 4323 1 . GLY 110 110 4323 1 . LYS 111 111 4323 1 . GLU 112 112 4323 1 . GLY 113 113 4323 1 . VAL 114 114 4323 1 . THR 115 115 4323 1 . ASP 116 116 4323 1 . ALA 117 117 4323 1 . ASP 118 118 4323 1 . ALA 119 119 4323 1 . LYS 120 120 4323 1 . GLU 121 121 4323 1 . ALA 122 122 4323 1 . ILE 123 123 4323 1 . LEU 124 124 4323 1 . LYS 125 125 4323 1 . THR 126 126 4323 1 . ASN 127 127 4323 1 . GLY 128 128 4323 1 . THR 129 129 4323 1 . LYS 130 130 4323 1 . THR 131 131 4323 1 . LYS 132 132 4323 1 . GLY 133 133 4323 1 . ALA 134 134 4323 1 . GLU 135 135 4323 1 . GLU 136 136 4323 1 . LEU 137 137 4323 1 . GLY 138 138 4323 1 . LYS 139 139 4323 1 . LEU 140 140 4323 1 . PHE 141 141 4323 1 . GLU 142 142 4323 1 . SER 143 143 4323 1 . VAL 144 144 4323 1 . GLU 145 145 4323 1 . VAL 146 146 4323 1 . LEU 147 147 4323 1 . SER 148 148 4323 1 . LYS 149 149 4323 1 . ALA 150 150 4323 1 . ALA 151 151 4323 1 . LYS 152 152 4323 1 . GLU 153 153 4323 1 . MET 154 154 4323 1 . LEU 155 155 4323 1 . ALA 156 156 4323 1 . ASN 157 157 4323 1 . SER 158 158 4323 1 . VAL 159 159 4323 1 . LYS 160 160 4323 1 . GLU 161 161 4323 1 . LEU 162 162 4323 1 . THR 163 163 4323 1 . SER 164 164 4323 1 . PRO 165 165 4323 1 . VAL 166 166 4323 1 . VAL 167 167 4323 1 . ALA 168 168 4323 1 . GLU 169 169 4323 1 . SER 170 170 4323 1 . PRO 171 171 4323 1 . LYS 172 172 4323 1 . LYS 173 173 4323 1 . PRO 174 174 4323 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 4323 _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 $OspC . 139 . . 'Borrelia burgdorferi' spirochete . . Eubacteria . Borrelia burgdorferi B31 . . . . . . . . . . . . . . . . . . . . 4323 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 4323 _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 $OspC . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET24-OspC . Novagen . 'natural source' . . 4323 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4323 _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 'outer surface protein C' '[U-99% 13C; U-98% 15N; U-95% 2H]' . . 1 $OspC . . 1.0 . . mM . . . . 4323 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4323 1 3 'sodium chloride' . . . . . . . 100 . . mM . . . . 4323 1 4 EDTA . . . . . . . 0.10 . . mM . . . . 4323 1 5 DTT . . . . . . . 1.0 . . mM . . . . 4323 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4323 _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' 120 . mM 4323 1 pH 6.0 0.05 n/a 4323 1 pressure 1.0 . atm 4323 1 temperature 308 0.5 K 4323 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4323 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4323 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4323 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 4323 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4323 _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 external indirect 0.25144954 . . . . . . . . . 4323 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct . . . . . . . . . . 4323 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132900 . . . . . . . . . 4323 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4323 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4323 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 3 3 GLY N N 15 111.520 0.1 . 1 . . . . . . . . 4323 1 2 . 1 1 3 3 GLY H H 1 8.304 0.01 . 1 . . . . . . . . 4323 1 3 . 1 1 3 3 GLY CA C 13 44.069 0.5 . 1 . . . . . . . . 4323 1 4 . 1 1 4 4 PRO CA C 13 62.291 0.5 . 1 . . . . . . . . 4323 1 5 . 1 1 4 4 PRO CB C 13 31.507 0.5 . 1 . . . . . . . . 4323 1 6 . 1 1 4 4 PRO C C 13 176.190 0.5 . 1 . . . . . . . . 4323 1 7 . 1 1 5 5 ASN N N 15 120.902 0.1 . 1 . . . . . . . . 4323 1 8 . 1 1 5 5 ASN H H 1 8.754 0.01 . 1 . . . . . . . . 4323 1 9 . 1 1 5 5 ASN CA C 13 51.943 0.5 . 1 . . . . . . . . 4323 1 10 . 1 1 5 5 ASN CB C 13 37.122 0.5 . 1 . . . . . . . . 4323 1 11 . 1 1 5 5 ASN C C 13 175.808 0.5 . 1 . . . . . . . . 4323 1 12 . 1 1 6 6 LEU N N 15 124.514 0.1 . 1 . . . . . . . . 4323 1 13 . 1 1 6 6 LEU H H 1 8.468 0.01 . 1 . . . . . . . . 4323 1 14 . 1 1 6 6 LEU CA C 13 57.602 0.5 . 1 . . . . . . . . 4323 1 15 . 1 1 6 6 LEU CB C 13 40.136 0.5 . 1 . . . . . . . . 4323 1 16 . 1 1 6 6 LEU C C 13 179.163 0.5 . 1 . . . . . . . . 4323 1 17 . 1 1 7 7 THR N N 15 117.464 0.1 . 1 . . . . . . . . 4323 1 18 . 1 1 7 7 THR H H 1 8.177 0.01 . 1 . . . . . . . . 4323 1 19 . 1 1 7 7 THR CA C 13 66.226 0.5 . 1 . . . . . . . . 4323 1 20 . 1 1 7 7 THR CB C 13 67.825 0.5 . 1 . . . . . . . . 4323 1 21 . 1 1 7 7 THR C C 13 176.795 0.5 . 1 . . . . . . . . 4323 1 22 . 1 1 8 8 GLU N N 15 123.908 0.1 . 1 . . . . . . . . 4323 1 23 . 1 1 8 8 GLU H H 1 7.635 0.01 . 1 . . . . . . . . 4323 1 24 . 1 1 8 8 GLU CA C 13 58.599 0.5 . 1 . . . . . . . . 4323 1 25 . 1 1 8 8 GLU CB C 13 28.854 0.5 . 1 . . . . . . . . 4323 1 26 . 1 1 8 8 GLU C C 13 179.534 0.5 . 1 . . . . . . . . 4323 1 27 . 1 1 9 9 ILE N N 15 121.363 0.1 . 1 . . . . . . . . 4323 1 28 . 1 1 9 9 ILE H H 1 8.393 0.01 . 1 . . . . . . . . 4323 1 29 . 1 1 9 9 ILE CA C 13 64.805 0.5 . 1 . . . . . . . . 4323 1 30 . 1 1 9 9 ILE CB C 13 37.468 0.5 . 1 . . . . . . . . 4323 1 31 . 1 1 9 9 ILE C C 13 177.761 0.5 . 1 . . . . . . . . 4323 1 32 . 1 1 10 10 SER N N 15 115.668 0.1 . 1 . . . . . . . . 4323 1 33 . 1 1 10 10 SER H H 1 8.221 0.01 . 1 . . . . . . . . 4323 1 34 . 1 1 10 10 SER CA C 13 62.161 0.5 . 1 . . . . . . . . 4323 1 35 . 1 1 10 10 SER C C 13 176.067 0.5 . 1 . . . . . . . . 4323 1 36 . 1 1 11 11 LYS N N 15 122.905 0.1 . 1 . . . . . . . . 4323 1 37 . 1 1 11 11 LYS H H 1 7.294 0.01 . 1 . . . . . . . . 4323 1 38 . 1 1 11 11 LYS CA C 13 58.768 0.5 . 1 . . . . . . . . 4323 1 39 . 1 1 11 11 LYS CB C 13 31.326 0.5 . 1 . . . . . . . . 4323 1 40 . 1 1 11 11 LYS C C 13 177.832 0.5 . 1 . . . . . . . . 4323 1 41 . 1 1 12 12 LYS N N 15 120.461 0.1 . 1 . . . . . . . . 4323 1 42 . 1 1 12 12 LYS H H 1 7.920 0.01 . 1 . . . . . . . . 4323 1 43 . 1 1 12 12 LYS CA C 13 59.593 0.5 . 1 . . . . . . . . 4323 1 44 . 1 1 12 12 LYS CB C 13 31.326 0.5 . 1 . . . . . . . . 4323 1 45 . 1 1 12 12 LYS C C 13 181.065 0.5 . 1 . . . . . . . . 4323 1 46 . 1 1 13 13 ILE N N 15 122.430 0.1 . 1 . . . . . . . . 4323 1 47 . 1 1 13 13 ILE H H 1 8.697 0.01 . 1 . . . . . . . . 4323 1 48 . 1 1 13 13 ILE CA C 13 65.556 0.5 . 1 . . . . . . . . 4323 1 49 . 1 1 13 13 ILE CB C 13 37.286 0.5 . 1 . . . . . . . . 4323 1 50 . 1 1 13 13 ILE C C 13 177.501 0.5 . 1 . . . . . . . . 4323 1 51 . 1 1 14 14 THR N N 15 116.930 0.1 . 1 . . . . . . . . 4323 1 52 . 1 1 14 14 THR H H 1 8.362 0.01 . 1 . . . . . . . . 4323 1 53 . 1 1 14 14 THR CA C 13 66.844 0.5 . 1 . . . . . . . . 4323 1 54 . 1 1 14 14 THR CB C 13 67.809 0.5 . 1 . . . . . . . . 4323 1 55 . 1 1 14 14 THR C C 13 177.991 0.5 . 1 . . . . . . . . 4323 1 56 . 1 1 15 15 ASP N N 15 124.926 0.1 . 1 . . . . . . . . 4323 1 57 . 1 1 15 15 ASP H H 1 9.029 0.01 . 1 . . . . . . . . 4323 1 58 . 1 1 15 15 ASP CA C 13 57.241 0.5 . 1 . . . . . . . . 4323 1 59 . 1 1 15 15 ASP CB C 13 39.596 0.5 . 1 . . . . . . . . 4323 1 60 . 1 1 15 15 ASP C C 13 179.340 0.5 . 1 . . . . . . . . 4323 1 61 . 1 1 16 16 SER N N 15 117.426 0.1 . 1 . . . . . . . . 4323 1 62 . 1 1 16 16 SER H H 1 8.375 0.01 . 1 . . . . . . . . 4323 1 63 . 1 1 16 16 SER CA C 13 62.070 0.5 . 1 . . . . . . . . 4323 1 64 . 1 1 16 16 SER C C 13 177.048 0.5 . 1 . . . . . . . . 4323 1 65 . 1 1 17 17 ASN N N 15 123.415 0.1 . 1 . . . . . . . . 4323 1 66 . 1 1 17 17 ASN H H 1 8.840 0.01 . 1 . . . . . . . . 4323 1 67 . 1 1 17 17 ASN CA C 13 56.778 0.5 . 1 . . . . . . . . 4323 1 68 . 1 1 17 17 ASN CB C 13 38.563 0.5 . 1 . . . . . . . . 4323 1 69 . 1 1 17 17 ASN C C 13 175.921 0.5 . 1 . . . . . . . . 4323 1 70 . 1 1 18 18 ALA N N 15 121.414 0.1 . 1 . . . . . . . . 4323 1 71 . 1 1 18 18 ALA H H 1 7.834 0.01 . 1 . . . . . . . . 4323 1 72 . 1 1 18 18 ALA CA C 13 55.253 0.5 . 1 . . . . . . . . 4323 1 73 . 1 1 18 18 ALA CB C 13 17.096 0.5 . 1 . . . . . . . . 4323 1 74 . 1 1 18 18 ALA C C 13 181.260 0.5 . 1 . . . . . . . . 4323 1 75 . 1 1 19 19 VAL N N 15 119.415 0.1 . 1 . . . . . . . . 4323 1 76 . 1 1 19 19 VAL H H 1 7.535 0.01 . 1 . . . . . . . . 4323 1 77 . 1 1 19 19 VAL CA C 13 65.365 0.5 . 1 . . . . . . . . 4323 1 78 . 1 1 19 19 VAL CB C 13 30.839 0.5 . 1 . . . . . . . . 4323 1 79 . 1 1 19 19 VAL C C 13 177.033 0.5 . 1 . . . . . . . . 4323 1 80 . 1 1 20 20 LEU N N 15 121.918 0.1 . 1 . . . . . . . . 4323 1 81 . 1 1 20 20 LEU H H 1 7.960 0.01 . 1 . . . . . . . . 4323 1 82 . 1 1 20 20 LEU CA C 13 57.833 0.5 . 1 . . . . . . . . 4323 1 83 . 1 1 20 20 LEU CB C 13 40.630 0.5 . 1 . . . . . . . . 4323 1 84 . 1 1 20 20 LEU C C 13 178.580 0.5 . 1 . . . . . . . . 4323 1 85 . 1 1 21 21 LEU N N 15 119.467 0.1 . 1 . . . . . . . . 4323 1 86 . 1 1 21 21 LEU H H 1 8.629 0.01 . 1 . . . . . . . . 4323 1 87 . 1 1 21 21 LEU CA C 13 57.786 0.5 . 1 . . . . . . . . 4323 1 88 . 1 1 21 21 LEU CB C 13 40.995 0.5 . 1 . . . . . . . . 4323 1 89 . 1 1 21 21 LEU C C 13 178.484 0.5 . 1 . . . . . . . . 4323 1 90 . 1 1 22 22 ALA N N 15 121.822 0.1 . 1 . . . . . . . . 4323 1 91 . 1 1 22 22 ALA H H 1 7.342 0.01 . 1 . . . . . . . . 4323 1 92 . 1 1 22 22 ALA CA C 13 54.312 0.5 . 1 . . . . . . . . 4323 1 93 . 1 1 22 22 ALA CB C 13 18.069 0.5 . 1 . . . . . . . . 4323 1 94 . 1 1 22 22 ALA C C 13 181.401 0.5 . 1 . . . . . . . . 4323 1 95 . 1 1 23 23 VAL N N 15 120.405 0.1 . 1 . . . . . . . . 4323 1 96 . 1 1 23 23 VAL H H 1 8.429 0.01 . 1 . . . . . . . . 4323 1 97 . 1 1 23 23 VAL CA C 13 66.399 0.5 . 1 . . . . . . . . 4323 1 98 . 1 1 23 23 VAL CB C 13 30.596 0.5 . 1 . . . . . . . . 4323 1 99 . 1 1 23 23 VAL C C 13 177.608 0.5 . 1 . . . . . . . . 4323 1 100 . 1 1 24 24 LYS N N 15 122.850 0.1 . 1 . . . . . . . . 4323 1 101 . 1 1 24 24 LYS H H 1 8.906 0.01 . 1 . . . . . . . . 4323 1 102 . 1 1 24 24 LYS CA C 13 56.598 0.5 . 1 . . . . . . . . 4323 1 103 . 1 1 24 24 LYS CB C 13 29.562 0.5 . 1 . . . . . . . . 4323 1 104 . 1 1 24 24 LYS C C 13 177.874 0.5 . 1 . . . . . . . . 4323 1 105 . 1 1 25 25 GLU N N 15 118.915 0.1 . 1 . . . . . . . . 4323 1 106 . 1 1 25 25 GLU H H 1 7.779 0.01 . 1 . . . . . . . . 4323 1 107 . 1 1 25 25 GLU CA C 13 59.363 0.5 . 1 . . . . . . . . 4323 1 108 . 1 1 25 25 GLU CB C 13 29.197 0.5 . 1 . . . . . . . . 4323 1 109 . 1 1 25 25 GLU C C 13 177.509 0.5 . 1 . . . . . . . . 4323 1 110 . 1 1 26 26 VAL N N 15 118.415 0.1 . 1 . . . . . . . . 4323 1 111 . 1 1 26 26 VAL H H 1 7.141 0.01 . 1 . . . . . . . . 4323 1 112 . 1 1 26 26 VAL CA C 13 66.981 0.5 . 1 . . . . . . . . 4323 1 113 . 1 1 26 26 VAL CB C 13 30.353 0.5 . 1 . . . . . . . . 4323 1 114 . 1 1 26 26 VAL C C 13 177.489 0.5 . 1 . . . . . . . . 4323 1 115 . 1 1 27 27 GLU N N 15 120.912 0.1 . 1 . . . . . . . . 4323 1 116 . 1 1 27 27 GLU H H 1 8.643 0.01 . 1 . . . . . . . . 4323 1 117 . 1 1 27 27 GLU CA C 13 59.757 0.5 . 1 . . . . . . . . 4323 1 118 . 1 1 27 27 GLU CB C 13 29.806 0.5 . 1 . . . . . . . . 4323 1 119 . 1 1 27 27 GLU C C 13 179.056 0.5 . 1 . . . . . . . . 4323 1 120 . 1 1 28 28 ALA N N 15 122.999 0.1 . 1 . . . . . . . . 4323 1 121 . 1 1 28 28 ALA H H 1 8.680 0.01 . 1 . . . . . . . . 4323 1 122 . 1 1 28 28 ALA CA C 13 53.934 0.5 . 1 . . . . . . . . 4323 1 123 . 1 1 28 28 ALA CB C 13 19.438 0.5 . 1 . . . . . . . . 4323 1 124 . 1 1 28 28 ALA C C 13 180.746 0.5 . 1 . . . . . . . . 4323 1 125 . 1 1 29 29 LEU N N 15 121.366 0.1 . 1 . . . . . . . . 4323 1 126 . 1 1 29 29 LEU H H 1 8.269 0.01 . 1 . . . . . . . . 4323 1 127 . 1 1 29 29 LEU CA C 13 57.786 0.5 . 1 . . . . . . . . 4323 1 128 . 1 1 29 29 LEU CB C 13 41.056 0.5 . 1 . . . . . . . . 4323 1 129 . 1 1 29 29 LEU C C 13 180.908 0.5 . 1 . . . . . . . . 4323 1 130 . 1 1 30 30 LEU N N 15 122.464 0.1 . 1 . . . . . . . . 4323 1 131 . 1 1 30 30 LEU H H 1 8.255 0.01 . 1 . . . . . . . . 4323 1 132 . 1 1 30 30 LEU CA C 13 58.072 0.5 . 1 . . . . . . . . 4323 1 133 . 1 1 30 30 LEU CB C 13 39.536 0.5 . 1 . . . . . . . . 4323 1 134 . 1 1 30 30 LEU C C 13 179.319 0.5 . 1 . . . . . . . . 4323 1 135 . 1 1 31 31 SER N N 15 117.947 0.1 . 1 . . . . . . . . 4323 1 136 . 1 1 31 31 SER H H 1 8.486 0.01 . 1 . . . . . . . . 4323 1 137 . 1 1 31 31 SER CA C 13 61.697 0.5 . 1 . . . . . . . . 4323 1 138 . 1 1 31 31 SER C C 13 176.808 0.5 . 1 . . . . . . . . 4323 1 139 . 1 1 32 32 SER N N 15 121.909 0.1 . 1 . . . . . . . . 4323 1 140 . 1 1 32 32 SER H H 1 8.153 0.01 . 1 . . . . . . . . 4323 1 141 . 1 1 32 32 SER CA C 13 62.633 0.5 . 1 . . . . . . . . 4323 1 142 . 1 1 32 32 SER C C 13 175.568 0.5 . 1 . . . . . . . . 4323 1 143 . 1 1 33 33 ILE N N 15 123.423 0.1 . 1 . . . . . . . . 4323 1 144 . 1 1 33 33 ILE H H 1 7.305 0.01 . 1 . . . . . . . . 4323 1 145 . 1 1 33 33 ILE CA C 13 65.489 0.5 . 1 . . . . . . . . 4323 1 146 . 1 1 33 33 ILE CB C 13 36.617 0.5 . 1 . . . . . . . . 4323 1 147 . 1 1 33 33 ILE C C 13 177.195 0.5 . 1 . . . . . . . . 4323 1 148 . 1 1 34 34 ASP N N 15 119.662 0.1 . 1 . . . . . . . . 4323 1 149 . 1 1 34 34 ASP H H 1 7.948 0.01 . 1 . . . . . . . . 4323 1 150 . 1 1 34 34 ASP CA C 13 57.017 0.5 . 1 . . . . . . . . 4323 1 151 . 1 1 34 34 ASP CB C 13 40.569 0.5 . 1 . . . . . . . . 4323 1 152 . 1 1 34 34 ASP C C 13 178.557 0.5 . 1 . . . . . . . . 4323 1 153 . 1 1 35 35 GLU N N 15 120.894 0.1 . 1 . . . . . . . . 4323 1 154 . 1 1 35 35 GLU H H 1 8.409 0.01 . 1 . . . . . . . . 4323 1 155 . 1 1 35 35 GLU CA C 13 58.691 0.5 . 1 . . . . . . . . 4323 1 156 . 1 1 35 35 GLU CB C 13 28.468 0.5 . 1 . . . . . . . . 4323 1 157 . 1 1 35 35 GLU C C 13 179.473 0.5 . 1 . . . . . . . . 4323 1 158 . 1 1 36 36 ILE N N 15 114.903 0.1 . 1 . . . . . . . . 4323 1 159 . 1 1 36 36 ILE H H 1 8.174 0.01 . 1 . . . . . . . . 4323 1 160 . 1 1 36 36 ILE CA C 13 65.220 0.5 . 1 . . . . . . . . 4323 1 161 . 1 1 36 36 ILE CB C 13 35.583 0.5 . 1 . . . . . . . . 4323 1 162 . 1 1 36 36 ILE C C 13 178.067 0.5 . 1 . . . . . . . . 4323 1 163 . 1 1 37 37 ALA N N 15 123.981 0.1 . 1 . . . . . . . . 4323 1 164 . 1 1 37 37 ALA H H 1 8.416 0.01 . 1 . . . . . . . . 4323 1 165 . 1 1 37 37 ALA CA C 13 53.587 0.5 . 1 . . . . . . . . 4323 1 166 . 1 1 37 37 ALA CB C 13 20.015 0.5 . 1 . . . . . . . . 4323 1 167 . 1 1 37 37 ALA C C 13 178.000 0.5 . 1 . . . . . . . . 4323 1 168 . 1 1 38 38 ALA N N 15 116.889 0.1 . 1 . . . . . . . . 4323 1 169 . 1 1 38 38 ALA H H 1 8.136 0.01 . 1 . . . . . . . . 4323 1 170 . 1 1 38 38 ALA CA C 13 53.553 0.5 . 1 . . . . . . . . 4323 1 171 . 1 1 38 38 ALA CB C 13 18.434 0.5 . 1 . . . . . . . . 4323 1 172 . 1 1 38 38 ALA C C 13 180.025 0.5 . 1 . . . . . . . . 4323 1 173 . 1 1 39 39 LYS N N 15 112.265 0.1 . 1 . . . . . . . . 4323 1 174 . 1 1 39 39 LYS H H 1 8.148 0.01 . 1 . . . . . . . . 4323 1 175 . 1 1 39 39 LYS CA C 13 55.037 0.5 . 1 . . . . . . . . 4323 1 176 . 1 1 39 39 LYS CB C 13 33.760 0.5 . 1 . . . . . . . . 4323 1 177 . 1 1 39 39 LYS C C 13 176.958 0.5 . 1 . . . . . . . . 4323 1 178 . 1 1 40 40 ALA N N 15 117.910 0.1 . 1 . . . . . . . . 4323 1 179 . 1 1 40 40 ALA H H 1 8.003 0.01 . 1 . . . . . . . . 4323 1 180 . 1 1 40 40 ALA CA C 13 51.746 0.5 . 1 . . . . . . . . 4323 1 181 . 1 1 40 40 ALA CB C 13 19.650 0.5 . 1 . . . . . . . . 4323 1 182 . 1 1 40 40 ALA C C 13 176.077 0.5 . 1 . . . . . . . . 4323 1 183 . 1 1 41 41 ILE N N 15 119.452 0.1 . 1 . . . . . . . . 4323 1 184 . 1 1 41 41 ILE H H 1 6.617 0.01 . 1 . . . . . . . . 4323 1 185 . 1 1 41 41 ILE CA C 13 63.241 0.5 . 1 . . . . . . . . 4323 1 186 . 1 1 41 41 ILE CB C 13 36.799 0.5 . 1 . . . . . . . . 4323 1 187 . 1 1 41 41 ILE C C 13 178.356 0.5 . 1 . . . . . . . . 4323 1 188 . 1 1 42 42 GLY N N 15 119.913 0.1 . 1 . . . . . . . . 4323 1 189 . 1 1 42 42 GLY H H 1 9.744 0.01 . 1 . . . . . . . . 4323 1 190 . 1 1 42 42 GLY CA C 13 47.474 0.5 . 1 . . . . . . . . 4323 1 191 . 1 1 42 42 GLY C C 13 176.397 0.5 . 1 . . . . . . . . 4323 1 192 . 1 1 43 43 LYS N N 15 119.419 0.1 . 1 . . . . . . . . 4323 1 193 . 1 1 43 43 LYS H H 1 7.853 0.01 . 1 . . . . . . . . 4323 1 194 . 1 1 43 43 LYS CA C 13 53.062 0.5 . 1 . . . . . . . . 4323 1 195 . 1 1 43 43 LYS CB C 13 36.677 0.5 . 1 . . . . . . . . 4323 1 196 . 1 1 43 43 LYS C C 13 175.037 0.5 . 1 . . . . . . . . 4323 1 197 . 1 1 44 44 LYS N N 15 115.438 0.1 . 1 . . . . . . . . 4323 1 198 . 1 1 44 44 LYS H H 1 8.930 0.01 . 1 . . . . . . . . 4323 1 199 . 1 1 44 44 LYS CA C 13 53.103 0.5 . 1 . . . . . . . . 4323 1 200 . 1 1 44 44 LYS CB C 13 35.644 0.5 . 1 . . . . . . . . 4323 1 201 . 1 1 44 44 LYS C C 13 174.505 0.5 . 1 . . . . . . . . 4323 1 202 . 1 1 45 45 ILE N N 15 123.021 0.1 . 1 . . . . . . . . 4323 1 203 . 1 1 45 45 ILE H H 1 8.645 0.01 . 1 . . . . . . . . 4323 1 204 . 1 1 45 45 ILE CA C 13 62.557 0.5 . 1 . . . . . . . . 4323 1 205 . 1 1 45 45 ILE CB C 13 37.772 0.5 . 1 . . . . . . . . 4323 1 206 . 1 1 45 45 ILE C C 13 173.945 0.5 . 1 . . . . . . . . 4323 1 207 . 1 1 46 46 HIS N N 15 127.054 0.1 . 1 . . . . . . . . 4323 1 208 . 1 1 46 46 HIS H H 1 7.789 0.01 . 1 . . . . . . . . 4323 1 209 . 1 1 46 46 HIS CA C 13 55.574 0.5 . 1 . . . . . . . . 4323 1 210 . 1 1 46 46 HIS CB C 13 35.446 0.5 . 1 . . . . . . . . 4323 1 211 . 1 1 46 46 HIS C C 13 174.573 0.5 . 1 . . . . . . . . 4323 1 212 . 1 1 47 47 GLN N N 15 124.992 0.1 . 1 . . . . . . . . 4323 1 213 . 1 1 47 47 GLN H H 1 7.957 0.01 . 1 . . . . . . . . 4323 1 214 . 1 1 47 47 GLN CA C 13 58.103 0.5 . 1 . . . . . . . . 4323 1 215 . 1 1 47 47 GLN CB C 13 27.556 0.5 . 1 . . . . . . . . 4323 1 216 . 1 1 47 47 GLN C C 13 174.743 0.5 . 1 . . . . . . . . 4323 1 217 . 1 1 48 48 ASN N N 15 114.440 0.1 . 1 . . . . . . . . 4323 1 218 . 1 1 48 48 ASN H H 1 8.290 0.01 . 1 . . . . . . . . 4323 1 219 . 1 1 48 48 ASN CA C 13 53.962 0.5 . 1 . . . . . . . . 4323 1 220 . 1 1 48 48 ASN CB C 13 40.265 0.5 . 1 . . . . . . . . 4323 1 221 . 1 1 48 48 ASN C C 13 176.533 0.5 . 1 . . . . . . . . 4323 1 222 . 1 1 49 49 ASN N N 15 120.452 0.1 . 1 . . . . . . . . 4323 1 223 . 1 1 49 49 ASN H H 1 10.010 0.01 . 1 . . . . . . . . 4323 1 224 . 1 1 49 49 ASN CA C 13 52.986 0.5 . 1 . . . . . . . . 4323 1 225 . 1 1 49 49 ASN CB C 13 38.137 0.5 . 1 . . . . . . . . 4323 1 226 . 1 1 49 49 ASN C C 13 176.164 0.5 . 1 . . . . . . . . 4323 1 227 . 1 1 50 50 GLY N N 15 113.517 0.1 . 1 . . . . . . . . 4323 1 228 . 1 1 50 50 GLY H H 1 7.787 0.01 . 1 . . . . . . . . 4323 1 229 . 1 1 50 50 GLY CA C 13 47.423 0.5 . 1 . . . . . . . . 4323 1 230 . 1 1 50 50 GLY C C 13 172.569 0.5 . 1 . . . . . . . . 4323 1 231 . 1 1 51 51 LEU N N 15 119.424 0.1 . 1 . . . . . . . . 4323 1 232 . 1 1 51 51 LEU H H 1 7.213 0.01 . 1 . . . . . . . . 4323 1 233 . 1 1 51 51 LEU CA C 13 52.731 0.5 . 1 . . . . . . . . 4323 1 234 . 1 1 51 51 LEU CB C 13 45.191 0.5 . 1 . . . . . . . . 4323 1 235 . 1 1 51 51 LEU C C 13 176.062 0.5 . 1 . . . . . . . . 4323 1 236 . 1 1 52 52 ASP N N 15 122.396 0.1 . 1 . . . . . . . . 4323 1 237 . 1 1 52 52 ASP H H 1 9.214 0.01 . 1 . . . . . . . . 4323 1 238 . 1 1 52 52 ASP CA C 13 51.595 0.5 . 1 . . . . . . . . 4323 1 239 . 1 1 52 52 ASP CB C 13 45.313 0.5 . 1 . . . . . . . . 4323 1 240 . 1 1 52 52 ASP C C 13 175.027 0.5 . 1 . . . . . . . . 4323 1 241 . 1 1 53 53 THR N N 15 118.850 0.1 . 1 . . . . . . . . 4323 1 242 . 1 1 53 53 THR H H 1 8.667 0.01 . 1 . . . . . . . . 4323 1 243 . 1 1 53 53 THR CA C 13 64.851 0.5 . 1 . . . . . . . . 4323 1 244 . 1 1 53 53 THR CB C 13 69.367 0.5 . 1 . . . . . . . . 4323 1 245 . 1 1 53 53 THR C C 13 174.323 0.5 . 1 . . . . . . . . 4323 1 246 . 1 1 54 54 GLU N N 15 129.554 0.1 . 1 . . . . . . . . 4323 1 247 . 1 1 54 54 GLU H H 1 8.620 0.01 . 1 . . . . . . . . 4323 1 248 . 1 1 54 54 GLU CA C 13 55.997 0.5 . 1 . . . . . . . . 4323 1 249 . 1 1 54 54 GLU CB C 13 28.833 0.5 . 1 . . . . . . . . 4323 1 250 . 1 1 54 54 GLU C C 13 173.608 0.5 . 1 . . . . . . . . 4323 1 251 . 1 1 55 55 ASN N N 15 123.975 0.1 . 1 . . . . . . . . 4323 1 252 . 1 1 55 55 ASN H H 1 8.693 0.01 . 1 . . . . . . . . 4323 1 253 . 1 1 55 55 ASN CA C 13 56.290 0.5 . 1 . . . . . . . . 4323 1 254 . 1 1 55 55 ASN CB C 13 40.752 0.5 . 1 . . . . . . . . 4323 1 255 . 1 1 55 55 ASN C C 13 176.174 0.5 . 1 . . . . . . . . 4323 1 256 . 1 1 56 56 ASN N N 15 113.899 0.1 . 1 . . . . . . . . 4323 1 257 . 1 1 56 56 ASN H H 1 9.934 0.01 . 1 . . . . . . . . 4323 1 258 . 1 1 56 56 ASN CA C 13 54.247 0.5 . 1 . . . . . . . . 4323 1 259 . 1 1 56 56 ASN CB C 13 34.427 0.5 . 1 . . . . . . . . 4323 1 260 . 1 1 56 56 ASN C C 13 173.539 0.5 . 1 . . . . . . . . 4323 1 261 . 1 1 57 57 HIS N N 15 118.025 0.1 . 1 . . . . . . . . 4323 1 262 . 1 1 57 57 HIS H H 1 8.715 0.01 . 1 . . . . . . . . 4323 1 263 . 1 1 57 57 HIS CA C 13 54.638 0.5 . 1 . . . . . . . . 4323 1 264 . 1 1 57 57 HIS CB C 13 28.589 0.5 . 1 . . . . . . . . 4323 1 265 . 1 1 57 57 HIS C C 13 177.290 0.5 . 1 . . . . . . . . 4323 1 266 . 1 1 58 58 ASN N N 15 114.436 0.1 . 1 . . . . . . . . 4323 1 267 . 1 1 58 58 ASN H H 1 8.385 0.01 . 1 . . . . . . . . 4323 1 268 . 1 1 58 58 ASN CA C 13 55.490 0.5 . 1 . . . . . . . . 4323 1 269 . 1 1 58 58 ASN CB C 13 40.326 0.5 . 1 . . . . . . . . 4323 1 270 . 1 1 58 58 ASN C C 13 175.291 0.5 . 1 . . . . . . . . 4323 1 271 . 1 1 59 59 GLY N N 15 112.915 0.1 . 1 . . . . . . . . 4323 1 272 . 1 1 59 59 GLY H H 1 8.922 0.01 . 1 . . . . . . . . 4323 1 273 . 1 1 59 59 GLY CA C 13 49.627 0.5 . 1 . . . . . . . . 4323 1 274 . 1 1 59 59 GLY C C 13 177.855 0.5 . 1 . . . . . . . . 4323 1 275 . 1 1 60 60 SER N N 15 122.375 0.1 . 1 . . . . . . . . 4323 1 276 . 1 1 60 60 SER H H 1 10.187 0.01 . 1 . . . . . . . . 4323 1 277 . 1 1 60 60 SER CA C 13 60.944 0.5 . 1 . . . . . . . . 4323 1 278 . 1 1 60 60 SER CB C 13 62.219 0.5 . 1 . . . . . . . . 4323 1 279 . 1 1 60 60 SER C C 13 177.334 0.5 . 1 . . . . . . . . 4323 1 280 . 1 1 61 61 LEU N N 15 127.667 0.1 . 1 . . . . . . . . 4323 1 281 . 1 1 61 61 LEU H H 1 7.880 0.01 . 1 . . . . . . . . 4323 1 282 . 1 1 61 61 LEU CA C 13 58.451 0.5 . 1 . . . . . . . . 4323 1 283 . 1 1 61 61 LEU CB C 13 41.238 0.5 . 1 . . . . . . . . 4323 1 284 . 1 1 61 61 LEU C C 13 178.640 0.5 . 1 . . . . . . . . 4323 1 285 . 1 1 62 62 LEU N N 15 121.915 0.1 . 1 . . . . . . . . 4323 1 286 . 1 1 62 62 LEU H H 1 8.268 0.01 . 1 . . . . . . . . 4323 1 287 . 1 1 62 62 LEU CA C 13 55.426 0.5 . 1 . . . . . . . . 4323 1 288 . 1 1 62 62 LEU CB C 13 38.927 0.5 . 1 . . . . . . . . 4323 1 289 . 1 1 62 62 LEU C C 13 179.033 0.5 . 1 . . . . . . . . 4323 1 290 . 1 1 63 63 ALA N N 15 124.404 0.1 . 1 . . . . . . . . 4323 1 291 . 1 1 63 63 ALA H H 1 8.456 0.01 . 1 . . . . . . . . 4323 1 292 . 1 1 63 63 ALA CA C 13 54.976 0.5 . 1 . . . . . . . . 4323 1 293 . 1 1 63 63 ALA CB C 13 17.157 0.5 . 1 . . . . . . . . 4323 1 294 . 1 1 63 63 ALA C C 13 179.764 0.5 . 1 . . . . . . . . 4323 1 295 . 1 1 64 64 GLY N N 15 107.462 0.1 . 1 . . . . . . . . 4323 1 296 . 1 1 64 64 GLY H H 1 8.505 0.01 . 1 . . . . . . . . 4323 1 297 . 1 1 64 64 GLY CA C 13 47.125 0.5 . 1 . . . . . . . . 4323 1 298 . 1 1 64 64 GLY C C 13 174.497 0.5 . 1 . . . . . . . . 4323 1 299 . 1 1 65 65 ALA N N 15 124.909 0.1 . 1 . . . . . . . . 4323 1 300 . 1 1 65 65 ALA H H 1 8.805 0.01 . 1 . . . . . . . . 4323 1 301 . 1 1 65 65 ALA CA C 13 55.195 0.5 . 1 . . . . . . . . 4323 1 302 . 1 1 65 65 ALA CB C 13 17.096 0.5 . 1 . . . . . . . . 4323 1 303 . 1 1 65 65 ALA C C 13 179.174 0.5 . 1 . . . . . . . . 4323 1 304 . 1 1 66 66 TYR N N 15 120.912 0.1 . 1 . . . . . . . . 4323 1 305 . 1 1 66 66 TYR H H 1 9.050 0.01 . 1 . . . . . . . . 4323 1 306 . 1 1 66 66 TYR CA C 13 62.062 0.5 . 1 . . . . . . . . 4323 1 307 . 1 1 66 66 TYR CB C 13 37.590 0.5 . 1 . . . . . . . . 4323 1 308 . 1 1 66 66 TYR C C 13 178.861 0.5 . 1 . . . . . . . . 4323 1 309 . 1 1 67 67 ALA N N 15 125.006 0.1 . 1 . . . . . . . . 4323 1 310 . 1 1 67 67 ALA H H 1 8.771 0.01 . 1 . . . . . . . . 4323 1 311 . 1 1 67 67 ALA CA C 13 54.639 0.5 . 1 . . . . . . . . 4323 1 312 . 1 1 67 67 ALA CB C 13 17.096 0.5 . 1 . . . . . . . . 4323 1 313 . 1 1 67 67 ALA C C 13 180.751 0.5 . 1 . . . . . . . . 4323 1 314 . 1 1 68 68 ILE N N 15 120.899 0.1 . 1 . . . . . . . . 4323 1 315 . 1 1 68 68 ILE H H 1 8.678 0.01 . 1 . . . . . . . . 4323 1 316 . 1 1 68 68 ILE CA C 13 65.617 0.5 . 1 . . . . . . . . 4323 1 317 . 1 1 68 68 ILE CB C 13 36.799 0.5 . 1 . . . . . . . . 4323 1 318 . 1 1 68 68 ILE C C 13 177.804 0.5 . 1 . . . . . . . . 4323 1 319 . 1 1 69 69 SER N N 15 119.009 0.1 . 1 . . . . . . . . 4323 1 320 . 1 1 69 69 SER H H 1 8.679 0.01 . 1 . . . . . . . . 4323 1 321 . 1 1 69 69 SER CA C 13 62.211 0.5 . 1 . . . . . . . . 4323 1 322 . 1 1 69 69 SER CB C 13 61.367 0.5 . 1 . . . . . . . . 4323 1 323 . 1 1 69 69 SER C C 13 176.861 0.5 . 1 . . . . . . . . 4323 1 324 . 1 1 70 70 THR N N 15 118.419 0.1 . 1 . . . . . . . . 4323 1 325 . 1 1 70 70 THR H H 1 7.981 0.01 . 1 . . . . . . . . 4323 1 326 . 1 1 70 70 THR CA C 13 65.014 0.5 . 1 . . . . . . . . 4323 1 327 . 1 1 70 70 THR CB C 13 67.756 0.5 . 1 . . . . . . . . 4323 1 328 . 1 1 70 70 THR C C 13 176.507 0.5 . 1 . . . . . . . . 4323 1 329 . 1 1 71 71 LEU N N 15 129.410 0.1 . 1 . . . . . . . . 4323 1 330 . 1 1 71 71 LEU H H 1 7.638 0.01 . 1 . . . . . . . . 4323 1 331 . 1 1 71 71 LEU CA C 13 57.369 0.5 . 1 . . . . . . . . 4323 1 332 . 1 1 71 71 LEU CB C 13 40.646 0.5 . 1 . . . . . . . . 4323 1 333 . 1 1 71 71 LEU C C 13 178.420 0.5 . 1 . . . . . . . . 4323 1 334 . 1 1 72 72 ILE N N 15 120.368 0.1 . 1 . . . . . . . . 4323 1 335 . 1 1 72 72 ILE H H 1 8.380 0.01 . 1 . . . . . . . . 4323 1 336 . 1 1 72 72 ILE CA C 13 66.204 0.5 . 1 . . . . . . . . 4323 1 337 . 1 1 72 72 ILE CB C 13 37.164 0.5 . 1 . . . . . . . . 4323 1 338 . 1 1 72 72 ILE C C 13 176.879 0.5 . 1 . . . . . . . . 4323 1 339 . 1 1 73 73 LYS N N 15 120.258 0.1 . 1 . . . . . . . . 4323 1 340 . 1 1 73 73 LYS H H 1 7.132 0.01 . 1 . . . . . . . . 4323 1 341 . 1 1 73 73 LYS CA C 13 59.377 0.5 . 1 . . . . . . . . 4323 1 342 . 1 1 73 73 LYS CB C 13 30.998 0.5 . 1 . . . . . . . . 4323 1 343 . 1 1 73 73 LYS C C 13 178.489 0.5 . 1 . . . . . . . . 4323 1 344 . 1 1 74 74 GLN N N 15 118.949 0.1 . 1 . . . . . . . . 4323 1 345 . 1 1 74 74 GLN H H 1 7.783 0.01 . 1 . . . . . . . . 4323 1 346 . 1 1 74 74 GLN CA C 13 58.614 0.5 . 1 . . . . . . . . 4323 1 347 . 1 1 74 74 GLN CB C 13 28.103 0.5 . 1 . . . . . . . . 4323 1 348 . 1 1 74 74 GLN C C 13 179.879 0.5 . 1 . . . . . . . . 4323 1 349 . 1 1 75 75 LYS N N 15 120.318 0.1 . 1 . . . . . . . . 4323 1 350 . 1 1 75 75 LYS H H 1 8.465 0.01 . 1 . . . . . . . . 4323 1 351 . 1 1 75 75 LYS CA C 13 57.287 0.5 . 1 . . . . . . . . 4323 1 352 . 1 1 75 75 LYS CB C 13 30.414 0.5 . 1 . . . . . . . . 4323 1 353 . 1 1 75 75 LYS C C 13 180.827 0.5 . 1 . . . . . . . . 4323 1 354 . 1 1 76 76 LEU N N 15 121.826 0.1 . 1 . . . . . . . . 4323 1 355 . 1 1 76 76 LEU H H 1 8.407 0.01 . 1 . . . . . . . . 4323 1 356 . 1 1 76 76 LEU CA C 13 57.532 0.5 . 1 . . . . . . . . 4323 1 357 . 1 1 76 76 LEU CB C 13 41.360 0.5 . 1 . . . . . . . . 4323 1 358 . 1 1 76 76 LEU C C 13 179.005 0.5 . 1 . . . . . . . . 4323 1 359 . 1 1 77 77 ASP N N 15 119.438 0.1 . 1 . . . . . . . . 4323 1 360 . 1 1 77 77 ASP H H 1 8.513 0.01 . 1 . . . . . . . . 4323 1 361 . 1 1 77 77 ASP CA C 13 56.383 0.5 . 1 . . . . . . . . 4323 1 362 . 1 1 77 77 ASP CB C 13 39.961 0.5 . 1 . . . . . . . . 4323 1 363 . 1 1 77 77 ASP C C 13 177.763 0.5 . 1 . . . . . . . . 4323 1 364 . 1 1 78 78 GLY N N 15 104.941 0.1 . 1 . . . . . . . . 4323 1 365 . 1 1 78 78 GLY H H 1 7.441 0.01 . 1 . . . . . . . . 4323 1 366 . 1 1 78 78 GLY CA C 13 44.419 0.5 . 1 . . . . . . . . 4323 1 367 . 1 1 78 78 GLY C C 13 173.475 0.5 . 1 . . . . . . . . 4323 1 368 . 1 1 79 79 LEU N N 15 124.466 0.1 . 1 . . . . . . . . 4323 1 369 . 1 1 79 79 LEU H H 1 7.259 0.01 . 1 . . . . . . . . 4323 1 370 . 1 1 79 79 LEU CA C 13 54.666 0.5 . 1 . . . . . . . . 4323 1 371 . 1 1 79 79 LEU CB C 13 41.421 0.5 . 1 . . . . . . . . 4323 1 372 . 1 1 79 79 LEU C C 13 175.142 0.5 . 1 . . . . . . . . 4323 1 373 . 1 1 80 80 LYS N N 15 125.728 0.1 . 1 . . . . . . . . 4323 1 374 . 1 1 80 80 LYS H H 1 8.417 0.01 . 1 . . . . . . . . 4323 1 375 . 1 1 80 80 LYS CA C 13 54.327 0.5 . 1 . . . . . . . . 4323 1 376 . 1 1 80 80 LYS CB C 13 32.603 0.5 . 1 . . . . . . . . 4323 1 377 . 1 1 80 80 LYS C C 13 175.658 0.5 . 1 . . . . . . . . 4323 1 378 . 1 1 81 81 ASN N N 15 122.360 0.1 . 1 . . . . . . . . 4323 1 379 . 1 1 81 81 ASN H H 1 7.895 0.01 . 1 . . . . . . . . 4323 1 380 . 1 1 81 81 ASN CA C 13 54.638 0.5 . 1 . . . . . . . . 4323 1 381 . 1 1 81 81 ASN CB C 13 40.995 0.5 . 1 . . . . . . . . 4323 1 382 . 1 1 81 81 ASN C C 13 174.198 0.5 . 1 . . . . . . . . 4323 1 383 . 1 1 82 82 GLU N N 15 128.900 0.1 . 1 . . . . . . . . 4323 1 384 . 1 1 82 82 GLU H H 1 9.000 0.01 . 1 . . . . . . . . 4323 1 385 . 1 1 82 82 GLU CA C 13 59.343 0.5 . 1 . . . . . . . . 4323 1 386 . 1 1 82 82 GLU CB C 13 28.772 0.5 . 1 . . . . . . . . 4323 1 387 . 1 1 82 82 GLU C C 13 178.688 0.5 . 1 . . . . . . . . 4323 1 388 . 1 1 83 83 GLY N N 15 108.787 0.1 . 1 . . . . . . . . 4323 1 389 . 1 1 83 83 GLY H H 1 8.177 0.01 . 1 . . . . . . . . 4323 1 390 . 1 1 83 83 GLY CA C 13 46.323 0.5 . 1 . . . . . . . . 4323 1 391 . 1 1 83 83 GLY C C 13 175.781 0.5 . 1 . . . . . . . . 4323 1 392 . 1 1 84 84 LEU N N 15 118.913 0.1 . 1 . . . . . . . . 4323 1 393 . 1 1 84 84 LEU H H 1 7.880 0.01 . 1 . . . . . . . . 4323 1 394 . 1 1 84 84 LEU CA C 13 53.308 0.5 . 1 . . . . . . . . 4323 1 395 . 1 1 84 84 LEU CB C 13 41.603 0.5 . 1 . . . . . . . . 4323 1 396 . 1 1 84 84 LEU C C 13 177.349 0.5 . 1 . . . . . . . . 4323 1 397 . 1 1 85 85 LYS N N 15 123.514 0.1 . 1 . . . . . . . . 4323 1 398 . 1 1 85 85 LYS H H 1 7.375 0.01 . 1 . . . . . . . . 4323 1 399 . 1 1 85 85 LYS CA C 13 60.885 0.5 . 1 . . . . . . . . 4323 1 400 . 1 1 85 85 LYS CB C 13 32.299 0.5 . 1 . . . . . . . . 4323 1 401 . 1 1 85 85 LYS C C 13 177.142 0.5 . 1 . . . . . . . . 4323 1 402 . 1 1 86 86 GLU N N 15 118.347 0.1 . 1 . . . . . . . . 4323 1 403 . 1 1 86 86 GLU H H 1 8.830 0.01 . 1 . . . . . . . . 4323 1 404 . 1 1 86 86 GLU CA C 13 59.634 0.5 . 1 . . . . . . . . 4323 1 405 . 1 1 86 86 GLU CB C 13 28.407 0.5 . 1 . . . . . . . . 4323 1 406 . 1 1 86 86 GLU C C 13 179.897 0.5 . 1 . . . . . . . . 4323 1 407 . 1 1 87 87 LYS N N 15 120.015 0.1 . 1 . . . . . . . . 4323 1 408 . 1 1 87 87 LYS H H 1 7.529 0.01 . 1 . . . . . . . . 4323 1 409 . 1 1 87 87 LYS CA C 13 58.398 0.5 . 1 . . . . . . . . 4323 1 410 . 1 1 87 87 LYS CB C 13 32.603 0.5 . 1 . . . . . . . . 4323 1 411 . 1 1 87 87 LYS C C 13 180.037 0.5 . 1 . . . . . . . . 4323 1 412 . 1 1 88 88 ILE N N 15 124.934 0.1 . 1 . . . . . . . . 4323 1 413 . 1 1 88 88 ILE H H 1 8.623 0.01 . 1 . . . . . . . . 4323 1 414 . 1 1 88 88 ILE CA C 13 65.779 0.5 . 1 . . . . . . . . 4323 1 415 . 1 1 88 88 ILE CB C 13 37.468 0.5 . 1 . . . . . . . . 4323 1 416 . 1 1 88 88 ILE C C 13 177.692 0.5 . 1 . . . . . . . . 4323 1 417 . 1 1 89 89 ASP N N 15 121.421 0.1 . 1 . . . . . . . . 4323 1 418 . 1 1 89 89 ASP H H 1 8.842 0.01 . 1 . . . . . . . . 4323 1 419 . 1 1 89 89 ASP CA C 13 57.299 0.5 . 1 . . . . . . . . 4323 1 420 . 1 1 89 89 ASP CB C 13 39.232 0.5 . 1 . . . . . . . . 4323 1 421 . 1 1 89 89 ASP C C 13 179.233 0.5 . 1 . . . . . . . . 4323 1 422 . 1 1 90 90 ALA N N 15 122.863 0.1 . 1 . . . . . . . . 4323 1 423 . 1 1 90 90 ALA H H 1 7.734 0.01 . 1 . . . . . . . . 4323 1 424 . 1 1 90 90 ALA CA C 13 54.773 0.5 . 1 . . . . . . . . 4323 1 425 . 1 1 90 90 ALA CB C 13 17.400 0.5 . 1 . . . . . . . . 4323 1 426 . 1 1 90 90 ALA C C 13 180.201 0.5 . 1 . . . . . . . . 4323 1 427 . 1 1 91 91 ALA N N 15 122.852 0.1 . 1 . . . . . . . . 4323 1 428 . 1 1 91 91 ALA H H 1 7.474 0.01 . 1 . . . . . . . . 4323 1 429 . 1 1 91 91 ALA CA C 13 54.390 0.5 . 1 . . . . . . . . 4323 1 430 . 1 1 91 91 ALA CB C 13 17.096 0.5 . 1 . . . . . . . . 4323 1 431 . 1 1 91 91 ALA C C 13 179.536 0.5 . 1 . . . . . . . . 4323 1 432 . 1 1 92 92 LYS N N 15 120.536 0.1 . 1 . . . . . . . . 4323 1 433 . 1 1 92 92 LYS H H 1 8.873 0.01 . 1 . . . . . . . . 4323 1 434 . 1 1 92 92 LYS CA C 13 60.218 0.5 . 1 . . . . . . . . 4323 1 435 . 1 1 92 92 LYS CB C 13 31.511 0.5 . 1 . . . . . . . . 4323 1 436 . 1 1 92 92 LYS C C 13 179.245 0.5 . 1 . . . . . . . . 4323 1 437 . 1 1 93 93 LYS N N 15 121.408 0.1 . 1 . . . . . . . . 4323 1 438 . 1 1 93 93 LYS H H 1 8.106 0.01 . 1 . . . . . . . . 4323 1 439 . 1 1 93 93 LYS CA C 13 58.816 0.5 . 1 . . . . . . . . 4323 1 440 . 1 1 93 93 LYS CB C 13 30.779 0.5 . 1 . . . . . . . . 4323 1 441 . 1 1 93 93 LYS C C 13 180.183 0.5 . 1 . . . . . . . . 4323 1 442 . 1 1 94 94 CYS N N 15 118.903 0.1 . 1 . . . . . . . . 4323 1 443 . 1 1 94 94 CYS H H 1 8.227 0.01 . 1 . . . . . . . . 4323 1 444 . 1 1 94 94 CYS CA C 13 63.534 0.5 . 1 . . . . . . . . 4323 1 445 . 1 1 94 94 CYS CB C 13 26.643 0.5 . 1 . . . . . . . . 4323 1 446 . 1 1 94 94 CYS C C 13 178.243 0.5 . 1 . . . . . . . . 4323 1 447 . 1 1 95 95 SER N N 15 120.083 0.1 . 1 . . . . . . . . 4323 1 448 . 1 1 95 95 SER H H 1 8.696 0.01 . 1 . . . . . . . . 4323 1 449 . 1 1 95 95 SER CA C 13 61.507 0.5 . 1 . . . . . . . . 4323 1 450 . 1 1 95 95 SER CB C 13 62.279 0.5 . 1 . . . . . . . . 4323 1 451 . 1 1 95 95 SER C C 13 176.292 0.5 . 1 . . . . . . . . 4323 1 452 . 1 1 96 96 GLU N N 15 122.852 0.1 . 1 . . . . . . . . 4323 1 453 . 1 1 96 96 GLU H H 1 8.078 0.01 . 1 . . . . . . . . 4323 1 454 . 1 1 96 96 GLU CA C 13 58.882 0.5 . 1 . . . . . . . . 4323 1 455 . 1 1 96 96 GLU CB C 13 29.197 0.5 . 1 . . . . . . . . 4323 1 456 . 1 1 96 96 GLU C C 13 178.325 0.5 . 1 . . . . . . . . 4323 1 457 . 1 1 97 97 THR N N 15 115.416 0.1 . 1 . . . . . . . . 4323 1 458 . 1 1 97 97 THR H H 1 8.324 0.01 . 1 . . . . . . . . 4323 1 459 . 1 1 97 97 THR CA C 13 66.127 0.5 . 1 . . . . . . . . 4323 1 460 . 1 1 97 97 THR CB C 13 68.239 0.5 . 1 . . . . . . . . 4323 1 461 . 1 1 97 97 THR C C 13 176.958 0.5 . 1 . . . . . . . . 4323 1 462 . 1 1 98 98 PHE N N 15 122.877 0.1 . 1 . . . . . . . . 4323 1 463 . 1 1 98 98 PHE H H 1 7.825 0.01 . 1 . . . . . . . . 4323 1 464 . 1 1 98 98 PHE CA C 13 60.268 0.5 . 1 . . . . . . . . 4323 1 465 . 1 1 98 98 PHE CB C 13 38.198 0.5 . 1 . . . . . . . . 4323 1 466 . 1 1 98 98 PHE C C 13 174.987 0.5 . 1 . . . . . . . . 4323 1 467 . 1 1 99 99 THR N N 15 116.460 0.1 . 1 . . . . . . . . 4323 1 468 . 1 1 99 99 THR H H 1 8.131 0.01 . 1 . . . . . . . . 4323 1 469 . 1 1 99 99 THR CA C 13 67.152 0.5 . 1 . . . . . . . . 4323 1 470 . 1 1 99 99 THR CB C 13 68.445 0.5 . 1 . . . . . . . . 4323 1 471 . 1 1 99 99 THR C C 13 176.295 0.5 . 1 . . . . . . . . 4323 1 472 . 1 1 100 100 ASN N N 15 117.399 0.1 . 1 . . . . . . . . 4323 1 473 . 1 1 100 100 ASN H H 1 8.454 0.01 . 1 . . . . . . . . 4323 1 474 . 1 1 100 100 ASN CA C 13 55.170 0.5 . 1 . . . . . . . . 4323 1 475 . 1 1 100 100 ASN CB C 13 36.921 0.5 . 1 . . . . . . . . 4323 1 476 . 1 1 100 100 ASN C C 13 178.014 0.5 . 1 . . . . . . . . 4323 1 477 . 1 1 101 101 LYS N N 15 125.167 0.1 . 1 . . . . . . . . 4323 1 478 . 1 1 101 101 LYS H H 1 7.903 0.01 . 1 . . . . . . . . 4323 1 479 . 1 1 101 101 LYS CA C 13 56.679 0.5 . 1 . . . . . . . . 4323 1 480 . 1 1 101 101 LYS CB C 13 29.258 0.5 . 1 . . . . . . . . 4323 1 481 . 1 1 101 101 LYS C C 13 177.063 0.5 . 1 . . . . . . . . 4323 1 482 . 1 1 102 102 LEU N N 15 117.028 0.1 . 1 . . . . . . . . 4323 1 483 . 1 1 102 102 LEU H H 1 7.364 0.01 . 1 . . . . . . . . 4323 1 484 . 1 1 102 102 LEU CA C 13 57.486 0.5 . 1 . . . . . . . . 4323 1 485 . 1 1 102 102 LEU CB C 13 40.813 0.5 . 1 . . . . . . . . 4323 1 486 . 1 1 102 102 LEU C C 13 178.683 0.5 . 1 . . . . . . . . 4323 1 487 . 1 1 103 103 LYS N N 15 113.890 0.1 . 1 . . . . . . . . 4323 1 488 . 1 1 103 103 LYS H H 1 7.137 0.01 . 1 . . . . . . . . 4323 1 489 . 1 1 103 103 LYS CA C 13 57.481 0.5 . 1 . . . . . . . . 4323 1 490 . 1 1 103 103 LYS CB C 13 31.558 0.5 . 1 . . . . . . . . 4323 1 491 . 1 1 103 103 LYS C C 13 179.739 0.5 . 1 . . . . . . . . 4323 1 492 . 1 1 104 104 GLU N N 15 121.413 0.1 . 1 . . . . . . . . 4323 1 493 . 1 1 104 104 GLU H H 1 8.294 0.01 . 1 . . . . . . . . 4323 1 494 . 1 1 104 104 GLU CA C 13 58.503 0.5 . 1 . . . . . . . . 4323 1 495 . 1 1 104 104 GLU CB C 13 29.137 0.5 . 1 . . . . . . . . 4323 1 496 . 1 1 104 104 GLU C C 13 179.269 0.5 . 1 . . . . . . . . 4323 1 497 . 1 1 105 105 LYS N N 15 117.081 0.1 . 1 . . . . . . . . 4323 1 498 . 1 1 105 105 LYS H H 1 7.555 0.01 . 1 . . . . . . . . 4323 1 499 . 1 1 105 105 LYS CA C 13 52.728 0.5 . 1 . . . . . . . . 4323 1 500 . 1 1 105 105 LYS CB C 13 28.285 0.5 . 1 . . . . . . . . 4323 1 501 . 1 1 105 105 LYS C C 13 177.321 0.5 . 1 . . . . . . . . 4323 1 502 . 1 1 106 106 HIS N N 15 120.478 0.1 . 1 . . . . . . . . 4323 1 503 . 1 1 106 106 HIS H H 1 7.675 0.01 . 1 . . . . . . . . 4323 1 504 . 1 1 106 106 HIS CA C 13 58.965 0.5 . 1 . . . . . . . . 4323 1 505 . 1 1 106 106 HIS CB C 13 28.954 0.5 . 1 . . . . . . . . 4323 1 506 . 1 1 106 106 HIS C C 13 176.070 0.5 . 1 . . . . . . . . 4323 1 507 . 1 1 107 107 THR N N 15 118.041 0.1 . 1 . . . . . . . . 4323 1 508 . 1 1 107 107 THR H H 1 7.452 0.01 . 1 . . . . . . . . 4323 1 509 . 1 1 107 107 THR CA C 13 65.596 0.5 . 1 . . . . . . . . 4323 1 510 . 1 1 107 107 THR CB C 13 67.321 0.5 . 1 . . . . . . . . 4323 1 511 . 1 1 107 107 THR C C 13 174.996 0.5 . 1 . . . . . . . . 4323 1 512 . 1 1 108 108 ASP N N 15 117.986 0.1 . 1 . . . . . . . . 4323 1 513 . 1 1 108 108 ASP H H 1 7.148 0.01 . 1 . . . . . . . . 4323 1 514 . 1 1 108 108 ASP CA C 13 55.255 0.5 . 1 . . . . . . . . 4323 1 515 . 1 1 108 108 ASP CB C 13 42.333 0.5 . 1 . . . . . . . . 4323 1 516 . 1 1 108 108 ASP C C 13 176.743 0.5 . 1 . . . . . . . . 4323 1 517 . 1 1 109 109 LEU N N 15 114.409 0.1 . 1 . . . . . . . . 4323 1 518 . 1 1 109 109 LEU H H 1 8.012 0.01 . 1 . . . . . . . . 4323 1 519 . 1 1 109 109 LEU CA C 13 54.457 0.5 . 1 . . . . . . . . 4323 1 520 . 1 1 109 109 LEU CB C 13 42.576 0.5 . 1 . . . . . . . . 4323 1 521 . 1 1 109 109 LEU C C 13 176.144 0.5 . 1 . . . . . . . . 4323 1 522 . 1 1 110 110 GLY N N 15 111.946 0.1 . 1 . . . . . . . . 4323 1 523 . 1 1 110 110 GLY H H 1 8.548 0.01 . 1 . . . . . . . . 4323 1 524 . 1 1 110 110 GLY CA C 13 47.435 0.5 . 1 . . . . . . . . 4323 1 525 . 1 1 110 110 GLY C C 13 173.133 0.5 . 1 . . . . . . . . 4323 1 526 . 1 1 111 111 LYS N N 15 116.947 0.1 . 1 . . . . . . . . 4323 1 527 . 1 1 111 111 LYS H H 1 7.390 0.01 . 1 . . . . . . . . 4323 1 528 . 1 1 111 111 LYS CA C 13 54.076 0.5 . 1 . . . . . . . . 4323 1 529 . 1 1 111 111 LYS CB C 13 31.691 0.5 . 1 . . . . . . . . 4323 1 530 . 1 1 111 111 LYS C C 13 174.859 0.5 . 1 . . . . . . . . 4323 1 531 . 1 1 112 112 GLU N N 15 119.067 0.1 . 1 . . . . . . . . 4323 1 532 . 1 1 112 112 GLU H H 1 9.106 0.01 . 1 . . . . . . . . 4323 1 533 . 1 1 112 112 GLU CA C 13 58.610 0.5 . 1 . . . . . . . . 4323 1 534 . 1 1 112 112 GLU CB C 13 26.887 0.5 . 1 . . . . . . . . 4323 1 535 . 1 1 112 112 GLU C C 13 179.945 0.5 . 1 . . . . . . . . 4323 1 536 . 1 1 113 113 GLY N N 15 111.446 0.1 . 1 . . . . . . . . 4323 1 537 . 1 1 113 113 GLY H H 1 8.267 0.01 . 1 . . . . . . . . 4323 1 538 . 1 1 113 113 GLY CA C 13 46.509 0.5 . 1 . . . . . . . . 4323 1 539 . 1 1 113 113 GLY C C 13 174.603 0.5 . 1 . . . . . . . . 4323 1 540 . 1 1 114 114 VAL N N 15 121.865 0.1 . 1 . . . . . . . . 4323 1 541 . 1 1 114 114 VAL H H 1 6.815 0.01 . 1 . . . . . . . . 4323 1 542 . 1 1 114 114 VAL CA C 13 62.282 0.5 . 1 . . . . . . . . 4323 1 543 . 1 1 114 114 VAL CB C 13 32.664 0.5 . 1 . . . . . . . . 4323 1 544 . 1 1 114 114 VAL C C 13 178.374 0.5 . 1 . . . . . . . . 4323 1 545 . 1 1 115 115 THR N N 15 122.590 0.1 . 1 . . . . . . . . 4323 1 546 . 1 1 115 115 THR H H 1 8.861 0.01 . 1 . . . . . . . . 4323 1 547 . 1 1 115 115 THR CA C 13 61.225 0.5 . 1 . . . . . . . . 4323 1 548 . 1 1 115 115 THR CB C 13 69.315 0.5 . 1 . . . . . . . . 4323 1 549 . 1 1 115 115 THR C C 13 174.812 0.5 . 1 . . . . . . . . 4323 1 550 . 1 1 116 116 ASP N N 15 124.932 0.1 . 1 . . . . . . . . 4323 1 551 . 1 1 116 116 ASP H H 1 9.359 0.01 . 1 . . . . . . . . 4323 1 552 . 1 1 116 116 ASP CA C 13 56.989 0.5 . 1 . . . . . . . . 4323 1 553 . 1 1 116 116 ASP CB C 13 38.988 0.5 . 1 . . . . . . . . 4323 1 554 . 1 1 116 116 ASP C C 13 177.909 0.5 . 1 . . . . . . . . 4323 1 555 . 1 1 117 117 ALA N N 15 119.760 0.1 . 1 . . . . . . . . 4323 1 556 . 1 1 117 117 ALA H H 1 8.184 0.01 . 1 . . . . . . . . 4323 1 557 . 1 1 117 117 ALA CA C 13 54.904 0.5 . 1 . . . . . . . . 4323 1 558 . 1 1 117 117 ALA CB C 13 17.643 0.5 . 1 . . . . . . . . 4323 1 559 . 1 1 117 117 ALA C C 13 180.272 0.5 . 1 . . . . . . . . 4323 1 560 . 1 1 118 118 ASP N N 15 120.419 0.1 . 1 . . . . . . . . 4323 1 561 . 1 1 118 118 ASP H H 1 7.802 0.01 . 1 . . . . . . . . 4323 1 562 . 1 1 118 118 ASP CA C 13 56.928 0.5 . 1 . . . . . . . . 4323 1 563 . 1 1 118 118 ASP CB C 13 38.794 0.5 . 1 . . . . . . . . 4323 1 564 . 1 1 118 118 ASP C C 13 177.496 0.5 . 1 . . . . . . . . 4323 1 565 . 1 1 119 119 ALA N N 15 120.435 0.1 . 1 . . . . . . . . 4323 1 566 . 1 1 119 119 ALA H H 1 8.393 0.01 . 1 . . . . . . . . 4323 1 567 . 1 1 119 119 ALA CA C 13 54.751 0.5 . 1 . . . . . . . . 4323 1 568 . 1 1 119 119 ALA CB C 13 17.765 0.5 . 1 . . . . . . . . 4323 1 569 . 1 1 119 119 ALA C C 13 180.062 0.5 . 1 . . . . . . . . 4323 1 570 . 1 1 120 120 LYS N N 15 118.909 0.1 . 1 . . . . . . . . 4323 1 571 . 1 1 120 120 LYS H H 1 8.217 0.01 . 1 . . . . . . . . 4323 1 572 . 1 1 120 120 LYS CA C 13 59.730 0.5 . 1 . . . . . . . . 4323 1 573 . 1 1 120 120 LYS CB C 13 31.812 0.5 . 1 . . . . . . . . 4323 1 574 . 1 1 120 120 LYS C C 13 177.887 0.5 . 1 . . . . . . . . 4323 1 575 . 1 1 121 121 GLU N N 15 114.438 0.1 . 1 . . . . . . . . 4323 1 576 . 1 1 121 121 GLU H H 1 7.302 0.01 . 1 . . . . . . . . 4323 1 577 . 1 1 121 121 GLU CA C 13 59.148 0.5 . 1 . . . . . . . . 4323 1 578 . 1 1 121 121 GLU CB C 13 30.292 0.5 . 1 . . . . . . . . 4323 1 579 . 1 1 121 121 GLU C C 13 176.217 0.5 . 1 . . . . . . . . 4323 1 580 . 1 1 122 122 ALA N N 15 123.040 0.1 . 1 . . . . . . . . 4323 1 581 . 1 1 122 122 ALA H H 1 7.526 0.01 . 1 . . . . . . . . 4323 1 582 . 1 1 122 122 ALA CA C 13 52.923 0.5 . 1 . . . . . . . . 4323 1 583 . 1 1 122 122 ALA CB C 13 21.413 0.5 . 1 . . . . . . . . 4323 1 584 . 1 1 122 122 ALA C C 13 177.331 0.5 . 1 . . . . . . . . 4323 1 585 . 1 1 123 123 ILE N N 15 100.910 0.1 . 1 . . . . . . . . 4323 1 586 . 1 1 123 123 ILE H H 1 7.461 0.01 . 1 . . . . . . . . 4323 1 587 . 1 1 123 123 ILE CA C 13 59.510 0.5 . 1 . . . . . . . . 4323 1 588 . 1 1 123 123 ILE CB C 13 40.159 0.5 . 1 . . . . . . . . 4323 1 589 . 1 1 123 123 ILE C C 13 173.038 0.5 . 1 . . . . . . . . 4323 1 590 . 1 1 124 124 LEU N N 15 123.895 0.1 . 1 . . . . . . . . 4323 1 591 . 1 1 124 124 LEU H H 1 8.107 0.01 . 1 . . . . . . . . 4323 1 592 . 1 1 124 124 LEU CA C 13 52.604 0.5 . 1 . . . . . . . . 4323 1 593 . 1 1 124 124 LEU CB C 13 42.090 0.5 . 1 . . . . . . . . 4323 1 594 . 1 1 124 124 LEU C C 13 176.009 0.5 . 1 . . . . . . . . 4323 1 595 . 1 1 125 125 LYS N N 15 126.501 0.1 . 1 . . . . . . . . 4323 1 596 . 1 1 125 125 LYS H H 1 9.522 0.01 . 1 . . . . . . . . 4323 1 597 . 1 1 125 125 LYS CA C 13 58.761 0.5 . 1 . . . . . . . . 4323 1 598 . 1 1 125 125 LYS CB C 13 30.657 0.5 . 1 . . . . . . . . 4323 1 599 . 1 1 125 125 LYS C C 13 175.125 0.5 . 1 . . . . . . . . 4323 1 600 . 1 1 126 126 THR N N 15 106.482 0.1 . 1 . . . . . . . . 4323 1 601 . 1 1 126 126 THR H H 1 6.777 0.01 . 1 . . . . . . . . 4323 1 602 . 1 1 126 126 THR CA C 13 59.929 0.5 . 1 . . . . . . . . 4323 1 603 . 1 1 126 126 THR CB C 13 67.935 0.5 . 1 . . . . . . . . 4323 1 604 . 1 1 126 126 THR C C 13 174.916 0.5 . 1 . . . . . . . . 4323 1 605 . 1 1 127 127 ASN N N 15 123.423 0.1 . 1 . . . . . . . . 4323 1 606 . 1 1 127 127 ASN H H 1 7.812 0.01 . 1 . . . . . . . . 4323 1 607 . 1 1 127 127 ASN CA C 13 53.971 0.5 . 1 . . . . . . . . 4323 1 608 . 1 1 127 127 ASN CB C 13 39.718 0.5 . 1 . . . . . . . . 4323 1 609 . 1 1 127 127 ASN C C 13 175.689 0.5 . 1 . . . . . . . . 4323 1 610 . 1 1 128 128 GLY N N 15 109.137 0.1 . 1 . . . . . . . . 4323 1 611 . 1 1 128 128 GLY H H 1 8.114 0.01 . 1 . . . . . . . . 4323 1 612 . 1 1 128 128 GLY CA C 13 46.624 0.5 . 1 . . . . . . . . 4323 1 613 . 1 1 128 128 GLY C C 13 174.318 0.5 . 1 . . . . . . . . 4323 1 614 . 1 1 129 129 THR N N 15 112.887 0.1 . 1 . . . . . . . . 4323 1 615 . 1 1 129 129 THR H H 1 7.018 0.01 . 1 . . . . . . . . 4323 1 616 . 1 1 129 129 THR CA C 13 60.306 0.5 . 1 . . . . . . . . 4323 1 617 . 1 1 129 129 THR CB C 13 69.206 0.5 . 1 . . . . . . . . 4323 1 618 . 1 1 129 129 THR C C 13 175.351 0.5 . 1 . . . . . . . . 4323 1 619 . 1 1 130 130 LYS N N 15 126.856 0.1 . 1 . . . . . . . . 4323 1 620 . 1 1 130 130 LYS H H 1 9.033 0.01 . 1 . . . . . . . . 4323 1 621 . 1 1 130 130 LYS CA C 13 54.919 0.5 . 1 . . . . . . . . 4323 1 622 . 1 1 130 130 LYS CB C 13 33.394 0.5 . 1 . . . . . . . . 4323 1 623 . 1 1 130 130 LYS C C 13 177.847 0.5 . 1 . . . . . . . . 4323 1 624 . 1 1 131 131 THR N N 15 110.352 0.1 . 1 . . . . . . . . 4323 1 625 . 1 1 131 131 THR H H 1 8.550 0.01 . 1 . . . . . . . . 4323 1 626 . 1 1 131 131 THR CA C 13 63.190 0.5 . 1 . . . . . . . . 4323 1 627 . 1 1 131 131 THR CB C 13 69.782 0.5 . 1 . . . . . . . . 4323 1 628 . 1 1 131 131 THR C C 13 175.564 0.5 . 1 . . . . . . . . 4323 1 629 . 1 1 132 132 LYS N N 15 119.901 0.1 . 1 . . . . . . . . 4323 1 630 . 1 1 132 132 LYS H H 1 7.468 0.01 . 1 . . . . . . . . 4323 1 631 . 1 1 132 132 LYS CA C 13 55.173 0.5 . 1 . . . . . . . . 4323 1 632 . 1 1 132 132 LYS CB C 13 31.752 0.5 . 1 . . . . . . . . 4323 1 633 . 1 1 132 132 LYS C C 13 172.287 0.5 . 1 . . . . . . . . 4323 1 634 . 1 1 133 133 GLY N N 15 105.405 0.1 . 1 . . . . . . . . 4323 1 635 . 1 1 133 133 GLY H H 1 8.510 0.01 . 1 . . . . . . . . 4323 1 636 . 1 1 133 133 GLY CA C 13 45.121 0.5 . 1 . . . . . . . . 4323 1 637 . 1 1 133 133 GLY C C 13 177.095 0.5 . 1 . . . . . . . . 4323 1 638 . 1 1 134 134 ALA N N 15 123.430 0.1 . 1 . . . . . . . . 4323 1 639 . 1 1 134 134 ALA H H 1 8.802 0.01 . 1 . . . . . . . . 4323 1 640 . 1 1 134 134 ALA CA C 13 55.089 0.5 . 1 . . . . . . . . 4323 1 641 . 1 1 134 134 ALA CB C 13 16.974 0.5 . 1 . . . . . . . . 4323 1 642 . 1 1 134 134 ALA C C 13 180.448 0.5 . 1 . . . . . . . . 4323 1 643 . 1 1 135 135 GLU N N 15 121.936 0.1 . 1 . . . . . . . . 4323 1 644 . 1 1 135 135 GLU H H 1 8.049 0.01 . 1 . . . . . . . . 4323 1 645 . 1 1 135 135 GLU CA C 13 58.633 0.5 . 1 . . . . . . . . 4323 1 646 . 1 1 135 135 GLU CB C 13 28.589 0.5 . 1 . . . . . . . . 4323 1 647 . 1 1 135 135 GLU C C 13 178.557 0.5 . 1 . . . . . . . . 4323 1 648 . 1 1 136 136 GLU N N 15 123.902 0.1 . 1 . . . . . . . . 4323 1 649 . 1 1 136 136 GLU H H 1 9.453 0.01 . 1 . . . . . . . . 4323 1 650 . 1 1 136 136 GLU CA C 13 60.830 0.5 . 1 . . . . . . . . 4323 1 651 . 1 1 136 136 GLU CB C 13 27.251 0.5 . 1 . . . . . . . . 4323 1 652 . 1 1 136 136 GLU C C 13 180.546 0.5 . 1 . . . . . . . . 4323 1 653 . 1 1 137 137 LEU N N 15 125.333 0.1 . 1 . . . . . . . . 4323 1 654 . 1 1 137 137 LEU H H 1 8.902 0.01 . 1 . . . . . . . . 4323 1 655 . 1 1 137 137 LEU CA C 13 57.177 0.5 . 1 . . . . . . . . 4323 1 656 . 1 1 137 137 LEU CB C 13 39.292 0.5 . 1 . . . . . . . . 4323 1 657 . 1 1 137 137 LEU C C 13 178.795 0.5 . 1 . . . . . . . . 4323 1 658 . 1 1 138 138 GLY N N 15 107.903 0.1 . 1 . . . . . . . . 4323 1 659 . 1 1 138 138 GLY H H 1 8.053 0.01 . 1 . . . . . . . . 4323 1 660 . 1 1 138 138 GLY CA C 13 47.244 0.5 . 1 . . . . . . . . 4323 1 661 . 1 1 138 138 GLY C C 13 176.691 0.5 . 1 . . . . . . . . 4323 1 662 . 1 1 139 139 LYS N N 15 121.896 0.1 . 1 . . . . . . . . 4323 1 663 . 1 1 139 139 LYS H H 1 7.760 0.01 . 1 . . . . . . . . 4323 1 664 . 1 1 139 139 LYS CA C 13 58.229 0.5 . 1 . . . . . . . . 4323 1 665 . 1 1 139 139 LYS CB C 13 30.993 0.5 . 1 . . . . . . . . 4323 1 666 . 1 1 139 139 LYS C C 13 179.629 0.5 . 1 . . . . . . . . 4323 1 667 . 1 1 140 140 LEU N N 15 123.896 0.1 . 1 . . . . . . . . 4323 1 668 . 1 1 140 140 LEU H H 1 8.057 0.01 . 1 . . . . . . . . 4323 1 669 . 1 1 140 140 LEU CA C 13 57.474 0.5 . 1 . . . . . . . . 4323 1 670 . 1 1 140 140 LEU CB C 13 40.205 0.5 . 1 . . . . . . . . 4323 1 671 . 1 1 140 140 LEU C C 13 178.332 0.5 . 1 . . . . . . . . 4323 1 672 . 1 1 141 141 PHE N N 15 121.478 0.1 . 1 . . . . . . . . 4323 1 673 . 1 1 141 141 PHE H H 1 8.856 0.01 . 1 . . . . . . . . 4323 1 674 . 1 1 141 141 PHE CA C 13 62.492 0.5 . 1 . . . . . . . . 4323 1 675 . 1 1 141 141 PHE CB C 13 38.076 0.5 . 1 . . . . . . . . 4323 1 676 . 1 1 141 141 PHE C C 13 178.329 0.5 . 1 . . . . . . . . 4323 1 677 . 1 1 142 142 GLU N N 15 119.409 0.1 . 1 . . . . . . . . 4323 1 678 . 1 1 142 142 GLU H H 1 8.129 0.01 . 1 . . . . . . . . 4323 1 679 . 1 1 142 142 GLU CA C 13 59.244 0.5 . 1 . . . . . . . . 4323 1 680 . 1 1 142 142 GLU CB C 13 28.954 0.5 . 1 . . . . . . . . 4323 1 681 . 1 1 142 142 GLU C C 13 178.855 0.5 . 1 . . . . . . . . 4323 1 682 . 1 1 143 143 SER N N 15 115.962 0.1 . 1 . . . . . . . . 4323 1 683 . 1 1 143 143 SER H H 1 8.255 0.01 . 1 . . . . . . . . 4323 1 684 . 1 1 143 143 SER CA C 13 61.592 0.5 . 1 . . . . . . . . 4323 1 685 . 1 1 143 143 SER CB C 13 62.584 0.5 . 1 . . . . . . . . 4323 1 686 . 1 1 143 143 SER C C 13 178.241 0.5 . 1 . . . . . . . . 4323 1 687 . 1 1 144 144 VAL N N 15 126.610 0.1 . 1 . . . . . . . . 4323 1 688 . 1 1 144 144 VAL H H 1 8.200 0.01 . 1 . . . . . . . . 4323 1 689 . 1 1 144 144 VAL CA C 13 66.053 0.5 . 1 . . . . . . . . 4323 1 690 . 1 1 144 144 VAL CB C 13 30.049 0.5 . 1 . . . . . . . . 4323 1 691 . 1 1 144 144 VAL C C 13 176.614 0.5 . 1 . . . . . . . . 4323 1 692 . 1 1 145 145 GLU N N 15 125.042 0.1 . 1 . . . . . . . . 4323 1 693 . 1 1 145 145 GLU H H 1 8.433 0.01 . 1 . . . . . . . . 4323 1 694 . 1 1 145 145 GLU CA C 13 59.283 0.5 . 1 . . . . . . . . 4323 1 695 . 1 1 145 145 GLU CB C 13 28.164 0.5 . 1 . . . . . . . . 4323 1 696 . 1 1 145 145 GLU C C 13 179.367 0.5 . 1 . . . . . . . . 4323 1 697 . 1 1 146 146 VAL N N 15 119.763 0.1 . 1 . . . . . . . . 4323 1 698 . 1 1 146 146 VAL H H 1 7.785 0.01 . 1 . . . . . . . . 4323 1 699 . 1 1 146 146 VAL CA C 13 66.066 0.5 . 1 . . . . . . . . 4323 1 700 . 1 1 146 146 VAL CB C 13 31.083 0.5 . 1 . . . . . . . . 4323 1 701 . 1 1 146 146 VAL C C 13 179.043 0.5 . 1 . . . . . . . . 4323 1 702 . 1 1 147 147 LEU N N 15 122.891 0.1 . 1 . . . . . . . . 4323 1 703 . 1 1 147 147 LEU H H 1 7.292 0.01 . 1 . . . . . . . . 4323 1 704 . 1 1 147 147 LEU CA C 13 57.690 0.5 . 1 . . . . . . . . 4323 1 705 . 1 1 147 147 LEU CB C 13 41.299 0.5 . 1 . . . . . . . . 4323 1 706 . 1 1 147 147 LEU C C 13 176.888 0.5 . 1 . . . . . . . . 4323 1 707 . 1 1 148 148 SER N N 15 115.919 0.1 . 1 . . . . . . . . 4323 1 708 . 1 1 148 148 SER H H 1 9.032 0.01 . 1 . . . . . . . . 4323 1 709 . 1 1 148 148 SER CA C 13 61.197 0.5 . 1 . . . . . . . . 4323 1 710 . 1 1 148 148 SER CB C 13 62.462 0.5 . 1 . . . . . . . . 4323 1 711 . 1 1 148 148 SER C C 13 177.045 0.5 . 1 . . . . . . . . 4323 1 712 . 1 1 149 149 LYS N N 15 120.924 0.1 . 1 . . . . . . . . 4323 1 713 . 1 1 149 149 LYS H H 1 8.356 0.01 . 1 . . . . . . . . 4323 1 714 . 1 1 149 149 LYS CA C 13 59.711 0.5 . 1 . . . . . . . . 4323 1 715 . 1 1 149 149 LYS CB C 13 31.630 0.5 . 1 . . . . . . . . 4323 1 716 . 1 1 149 149 LYS C C 13 179.194 0.5 . 1 . . . . . . . . 4323 1 717 . 1 1 150 150 ALA N N 15 121.603 0.1 . 1 . . . . . . . . 4323 1 718 . 1 1 150 150 ALA H H 1 7.677 0.01 . 1 . . . . . . . . 4323 1 719 . 1 1 150 150 ALA CA C 13 54.262 0.5 . 1 . . . . . . . . 4323 1 720 . 1 1 150 150 ALA CB C 13 17.886 0.5 . 1 . . . . . . . . 4323 1 721 . 1 1 150 150 ALA C C 13 180.539 0.5 . 1 . . . . . . . . 4323 1 722 . 1 1 151 151 ALA N N 15 123.424 0.1 . 1 . . . . . . . . 4323 1 723 . 1 1 151 151 ALA H H 1 8.698 0.01 . 1 . . . . . . . . 4323 1 724 . 1 1 151 151 ALA CA C 13 54.533 0.5 . 1 . . . . . . . . 4323 1 725 . 1 1 151 151 ALA CB C 13 17.400 0.5 . 1 . . . . . . . . 4323 1 726 . 1 1 151 151 ALA C C 13 179.725 0.5 . 1 . . . . . . . . 4323 1 727 . 1 1 152 152 LYS N N 15 121.335 0.1 . 1 . . . . . . . . 4323 1 728 . 1 1 152 152 LYS H H 1 8.790 0.01 . 1 . . . . . . . . 4323 1 729 . 1 1 152 152 LYS CA C 13 59.929 0.5 . 1 . . . . . . . . 4323 1 730 . 1 1 152 152 LYS CB C 13 31.569 0.5 . 1 . . . . . . . . 4323 1 731 . 1 1 152 152 LYS C C 13 179.735 0.5 . 1 . . . . . . . . 4323 1 732 . 1 1 153 153 GLU N N 15 121.803 0.1 . 1 . . . . . . . . 4323 1 733 . 1 1 153 153 GLU H H 1 8.010 0.01 . 1 . . . . . . . . 4323 1 734 . 1 1 153 153 GLU CA C 13 58.693 0.5 . 1 . . . . . . . . 4323 1 735 . 1 1 153 153 GLU CB C 13 28.650 0.5 . 1 . . . . . . . . 4323 1 736 . 1 1 153 153 GLU C C 13 178.077 0.5 . 1 . . . . . . . . 4323 1 737 . 1 1 154 154 MET N N 15 119.921 0.1 . 1 . . . . . . . . 4323 1 738 . 1 1 154 154 MET H H 1 7.848 0.01 . 1 . . . . . . . . 4323 1 739 . 1 1 154 154 MET CA C 13 58.961 0.5 . 1 . . . . . . . . 4323 1 740 . 1 1 154 154 MET CB C 13 32.299 0.5 . 1 . . . . . . . . 4323 1 741 . 1 1 154 154 MET C C 13 179.734 0.5 . 1 . . . . . . . . 4323 1 742 . 1 1 155 155 LEU N N 15 121.390 0.1 . 1 . . . . . . . . 4323 1 743 . 1 1 155 155 LEU H H 1 7.566 0.01 . 1 . . . . . . . . 4323 1 744 . 1 1 155 155 LEU CA C 13 57.355 0.5 . 1 . . . . . . . . 4323 1 745 . 1 1 155 155 LEU CB C 13 40.083 0.5 . 1 . . . . . . . . 4323 1 746 . 1 1 155 155 LEU C C 13 178.512 0.5 . 1 . . . . . . . . 4323 1 747 . 1 1 156 156 ALA N N 15 123.338 0.1 . 1 . . . . . . . . 4323 1 748 . 1 1 156 156 ALA H H 1 8.478 0.01 . 1 . . . . . . . . 4323 1 749 . 1 1 156 156 ALA CA C 13 55.022 0.5 . 1 . . . . . . . . 4323 1 750 . 1 1 156 156 ALA CB C 13 17.157 0.5 . 1 . . . . . . . . 4323 1 751 . 1 1 156 156 ALA C C 13 181.065 0.5 . 1 . . . . . . . . 4323 1 752 . 1 1 157 157 ASN N N 15 117.429 0.1 . 1 . . . . . . . . 4323 1 753 . 1 1 157 157 ASN H H 1 8.864 0.01 . 1 . . . . . . . . 4323 1 754 . 1 1 157 157 ASN CA C 13 55.289 0.5 . 1 . . . . . . . . 4323 1 755 . 1 1 157 157 ASN CB C 13 37.164 0.5 . 1 . . . . . . . . 4323 1 756 . 1 1 157 157 ASN C C 13 177.874 0.5 . 1 . . . . . . . . 4323 1 757 . 1 1 158 158 SER N N 15 118.915 0.1 . 1 . . . . . . . . 4323 1 758 . 1 1 158 158 SER H H 1 7.779 0.01 . 1 . . . . . . . . 4323 1 759 . 1 1 158 158 SER CA C 13 62.295 0.5 . 1 . . . . . . . . 4323 1 760 . 1 1 158 158 SER C C 13 174.994 0.5 . 1 . . . . . . . . 4323 1 761 . 1 1 159 159 VAL N N 15 120.450 0.1 . 1 . . . . . . . . 4323 1 762 . 1 1 159 159 VAL H H 1 7.913 0.01 . 1 . . . . . . . . 4323 1 763 . 1 1 159 159 VAL CA C 13 65.412 0.5 . 1 . . . . . . . . 4323 1 764 . 1 1 159 159 VAL CB C 13 30.909 0.5 . 1 . . . . . . . . 4323 1 765 . 1 1 159 159 VAL C C 13 179.522 0.5 . 1 . . . . . . . . 4323 1 766 . 1 1 160 160 LYS N N 15 122.344 0.1 . 1 . . . . . . . . 4323 1 767 . 1 1 160 160 LYS H H 1 8.163 0.01 . 1 . . . . . . . . 4323 1 768 . 1 1 160 160 LYS CA C 13 58.599 0.5 . 1 . . . . . . . . 4323 1 769 . 1 1 160 160 LYS CB C 13 31.508 0.5 . 1 . . . . . . . . 4323 1 770 . 1 1 160 160 LYS C C 13 178.146 0.5 . 1 . . . . . . . . 4323 1 771 . 1 1 161 161 GLU N N 15 118.891 0.1 . 1 . . . . . . . . 4323 1 772 . 1 1 161 161 GLU H H 1 7.390 0.01 . 1 . . . . . . . . 4323 1 773 . 1 1 161 161 GLU CA C 13 58.651 0.5 . 1 . . . . . . . . 4323 1 774 . 1 1 161 161 GLU CB C 13 29.015 0.5 . 1 . . . . . . . . 4323 1 775 . 1 1 161 161 GLU C C 13 177.667 0.5 . 1 . . . . . . . . 4323 1 776 . 1 1 162 162 LEU N N 15 115.619 0.1 . 1 . . . . . . . . 4323 1 777 . 1 1 162 162 LEU H H 1 7.645 0.01 . 1 . . . . . . . . 4323 1 778 . 1 1 162 162 LEU CA C 13 56.524 0.5 . 1 . . . . . . . . 4323 1 779 . 1 1 162 162 LEU CB C 13 41.664 0.5 . 1 . . . . . . . . 4323 1 780 . 1 1 162 162 LEU C C 13 176.924 0.5 . 1 . . . . . . . . 4323 1 781 . 1 1 163 163 THR N N 15 104.914 0.1 . 1 . . . . . . . . 4323 1 782 . 1 1 163 163 THR H H 1 7.318 0.01 . 1 . . . . . . . . 4323 1 783 . 1 1 163 163 THR CA C 13 60.427 0.5 . 1 . . . . . . . . 4323 1 784 . 1 1 163 163 THR CB C 13 69.223 0.5 . 1 . . . . . . . . 4323 1 785 . 1 1 163 163 THR C C 13 174.634 0.5 . 1 . . . . . . . . 4323 1 786 . 1 1 164 164 SER N N 15 119.894 0.1 . 1 . . . . . . . . 4323 1 787 . 1 1 164 164 SER H H 1 7.718 0.01 . 1 . . . . . . . . 4323 1 788 . 1 1 164 164 SER CA C 13 56.356 0.5 . 1 . . . . . . . . 4323 1 789 . 1 1 164 164 SER CB C 13 62.938 0.5 . 1 . . . . . . . . 4323 1 790 . 1 1 164 164 SER C C 13 172.272 0.5 . 1 . . . . . . . . 4323 1 791 . 1 1 165 165 PRO CA C 13 62.858 0.5 . 1 . . . . . . . . 4323 1 792 . 1 1 165 165 PRO CB C 13 31.448 0.5 . 1 . . . . . . . . 4323 1 793 . 1 1 165 165 PRO C C 13 176.860 0.5 . 1 . . . . . . . . 4323 1 794 . 1 1 166 166 VAL N N 15 121.414 0.1 . 1 . . . . . . . . 4323 1 795 . 1 1 166 166 VAL H H 1 8.183 0.01 . 1 . . . . . . . . 4323 1 796 . 1 1 166 166 VAL CA C 13 62.070 0.5 . 1 . . . . . . . . 4323 1 797 . 1 1 166 166 VAL CB C 13 31.752 0.5 . 1 . . . . . . . . 4323 1 798 . 1 1 166 166 VAL C C 13 176.231 0.5 . 1 . . . . . . . . 4323 1 799 . 1 1 167 167 VAL N N 15 125.326 0.1 . 1 . . . . . . . . 4323 1 800 . 1 1 167 167 VAL H H 1 8.107 0.01 . 1 . . . . . . . . 4323 1 801 . 1 1 167 167 VAL CA C 13 61.535 0.5 . 1 . . . . . . . . 4323 1 802 . 1 1 167 167 VAL CB C 13 32.056 0.5 . 1 . . . . . . . . 4323 1 803 . 1 1 167 167 VAL C C 13 175.554 0.5 . 1 . . . . . . . . 4323 1 804 . 1 1 168 168 ALA N N 15 128.876 0.1 . 1 . . . . . . . . 4323 1 805 . 1 1 168 168 ALA H H 1 8.274 0.01 . 1 . . . . . . . . 4323 1 806 . 1 1 168 168 ALA CA C 13 51.885 0.5 . 1 . . . . . . . . 4323 1 807 . 1 1 168 168 ALA CB C 13 18.738 0.5 . 1 . . . . . . . . 4323 1 808 . 1 1 168 168 ALA C C 13 177.289 0.5 . 1 . . . . . . . . 4323 1 809 . 1 1 169 169 GLU N N 15 121.497 0.1 . 1 . . . . . . . . 4323 1 810 . 1 1 169 169 GLU H H 1 8.272 0.01 . 1 . . . . . . . . 4323 1 811 . 1 1 169 169 GLU CA C 13 55.764 0.5 . 1 . . . . . . . . 4323 1 812 . 1 1 169 169 GLU CB C 13 29.927 0.5 . 1 . . . . . . . . 4323 1 813 . 1 1 169 169 GLU C C 13 176.233 0.5 . 1 . . . . . . . . 4323 1 814 . 1 1 170 170 SER N N 15 119.844 0.1 . 1 . . . . . . . . 4323 1 815 . 1 1 170 170 SER H H 1 8.369 0.01 . 1 . . . . . . . . 4323 1 816 . 1 1 170 170 SER CA C 13 56.192 0.5 . 1 . . . . . . . . 4323 1 817 . 1 1 170 170 SER CB C 13 62.741 0.5 . 1 . . . . . . . . 4323 1 818 . 1 1 170 170 SER C C 13 172.614 0.5 . 1 . . . . . . . . 4323 1 819 . 1 1 171 171 PRO CA C 13 62.774 0.5 . 1 . . . . . . . . 4323 1 820 . 1 1 171 171 PRO CB C 13 31.265 0.5 . 1 . . . . . . . . 4323 1 821 . 1 1 171 171 PRO C C 13 176.765 0.5 . 1 . . . . . . . . 4323 1 822 . 1 1 172 172 LYS N N 15 122.908 0.1 . 1 . . . . . . . . 4323 1 823 . 1 1 172 172 LYS H H 1 8.278 0.01 . 1 . . . . . . . . 4323 1 824 . 1 1 172 172 LYS CA C 13 55.680 0.5 . 1 . . . . . . . . 4323 1 825 . 1 1 172 172 LYS CB C 13 32.238 0.5 . 1 . . . . . . . . 4323 1 826 . 1 1 172 172 LYS C C 13 176.208 0.5 . 1 . . . . . . . . 4323 1 827 . 1 1 173 173 LYS N N 15 125.887 0.1 . 1 . . . . . . . . 4323 1 828 . 1 1 173 173 LYS H H 1 8.238 0.01 . 1 . . . . . . . . 4323 1 829 . 1 1 173 173 LYS CA C 13 53.611 0.5 . 1 . . . . . . . . 4323 1 830 . 1 1 173 173 LYS CB C 13 31.569 0.5 . 1 . . . . . . . . 4323 1 831 . 1 1 173 173 LYS C C 13 173.609 0.5 . 1 . . . . . . . . 4323 1 stop_ save_