data_18377 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18377 _Entry.Title ; MTIP(61-204) from Plasmodium falciparum bound to peptide MyoA(799-818) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-03 _Entry.Accession_date 2012-04-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone assignment of MyoA(799-818)-bound MTIP(61-204)' _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 Christopher Douse . . . 18377 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18377 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 18377 '15N chemical shifts' 142 18377 '1H chemical shifts' 142 18377 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-25 2012-04-03 update BMRB 'update entry citation' 18377 1 . . 2012-04-16 2012-04-03 original author 'original release' 18377 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18376 'free MTIP(61-204)' 18377 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18377 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22932904 _Citation.Full_citation . _Citation.Title 'Regulation of the Plasmodium motor complex: phosphorylation of myosin A tail-interacting protein (MTIP) loosens its grip on MyoA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 44 _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 36968 _Citation.Page_last 36977 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christopher Douse . H. . 18377 1 2 Judith Green . L. . 18377 1 3 Paula Salgado . S. . 18377 1 4 Peter Simpson . J. . 18377 1 5 Jemima Thomas . C. . 18377 1 6 Gordon Langsley . . . 18377 1 7 Anthony Holder . A. . 18377 1 8 Edward Tate . W. . 18377 1 9 Ernesto Cota . . . 18377 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dynamics 18377 1 'light chain' 18377 1 malaria 18377 1 myosin 18377 1 Plasmodium 18377 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18377 _Assembly.ID 1 _Assembly.Name MTIP(61-204) _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MTIP(61-204) 1 $MTIP(61-204) A . yes native no no . . . 18377 1 2 MyoA(799-818) 2 $MyoA(799-818)_peptide B . no native no no . . . 18377 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 BMRB 18376 . . 'solution NMR' . 'Assignments of the free state of the same protein' . 18377 1 yes PDB 2QAC . . X-ray . 'Same complex with a shorter peptide' . 18377 1 yes PDB 4AOM . . X-ray 1.94 'Same complex' . 18377 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Motor complex of Plasmodium parasites' 18377 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTIP(61-204) _Entity.Sf_category entity _Entity.Sf_framecode MTIP(61-204) _Entity.Entry_ID 18377 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MTIP(61-204) _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 ; RGSHHHHHHGSVADIQQLEE KVDESDVRIYFNEKSSGGKI SIDNASYNARKLGLAPSSID EKKIKELYGDNLTYEQYLEY LSICVHDKDNVEELIKMFAH FDNNCTGYLTKSQMKNILTT WGDALTDQEAIDALNAFSSE DNIDYKLFCEDILQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment MTIP(61-204) _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17605 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18376 . MTIP(61-204) . . . . . 100.00 154 100.00 100.00 4.10e-108 . . . . 18377 1 2 no PDB 2QAC . "The Closed Mtip-myosina-tail Complex From The Malaria Parasite Invasion Machinery" . . . . . 93.51 146 100.00 100.00 4.76e-99 . . . . 18377 1 3 no PDB 4AOM . "Mtip And Myoa Complex" . . . . . 93.51 146 100.00 100.00 4.76e-99 . . . . 18377 1 4 no PDB 4MZJ . "Crystal Structure Of Mtip From Plasmodium Falciparum In Complex With Pgly[801,805], A Stapled Myoa Tail Peptide" . . . . . 94.16 145 100.00 100.00 8.01e-100 . . . . 18377 1 5 no PDB 4MZK . "Crystal Structure Of Mtip From Plasmodium Falciparum In Complex With Pgly[807,811], A Stapled Myoa Tail Peptide" . . . . . 94.16 145 100.00 100.00 8.01e-100 . . . . 18377 1 6 no PDB 4MZL . "Crystal Structure Of Mtip From Plasmodium Falciparum In Complex With Hbs Myoa, A Hydrogen Bond Surrogate Myoa Helix Mimetic" . . . . . 94.16 145 100.00 100.00 8.01e-100 . . . . 18377 1 7 no PDB 4R1E . "Crystal Structure Of Mtip From Plasmodium Falciparum In Complex With A Peptide-fragment Chimera" . . . . . 94.16 145 100.00 100.00 8.01e-100 . . . . 18377 1 8 no EMBL CDO65736 . "myosin A tail domain interacting protein [Plasmodium reichenowi]" . . . . . 93.51 204 98.61 99.31 5.47e-97 . . . . 18377 1 9 no GB AAN36529 . "myosin A tail domain interacting protein [Plasmodium falciparum 3D7]" . . . . . 93.51 204 100.00 100.00 3.99e-98 . . . . 18377 1 10 no GB ETW17315 . "hypothetical protein PFFVO_03747 [Plasmodium falciparum Vietnam Oak-Knoll (FVO)]" . . . . . 93.51 204 99.31 100.00 1.51e-97 . . . . 18377 1 11 no GB ETW29792 . "hypothetical protein PFFCH_02759 [Plasmodium falciparum FCH/4]" . . . . . 93.51 204 99.31 100.00 1.51e-97 . . . . 18377 1 12 no GB ETW35145 . "hypothetical protein PFTANZ_04108 [Plasmodium falciparum Tanzania (2000708)]" . . . . . 93.51 281 99.31 100.00 1.77e-96 . . . . 18377 1 13 no GB ETW41309 . "hypothetical protein PFNF135_04294 [Plasmodium falciparum NF135/5.C10]" . . . . . 93.51 204 100.00 100.00 3.99e-98 . . . . 18377 1 14 no REF XP_001350849 . "myosin A tail domain interacting protein [Plasmodium falciparum 3D7]" . . . . . 93.51 204 100.00 100.00 3.99e-98 . . . . 18377 1 15 no REF XP_012764323 . "myosin A tail domain interacting protein [Plasmodium reichenowi]" . . . . . 93.51 204 98.61 99.31 5.47e-97 . . . . 18377 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 51 ARG . 18377 1 2 52 GLY . 18377 1 3 53 SER . 18377 1 4 54 HIS . 18377 1 5 55 HIS . 18377 1 6 56 HIS . 18377 1 7 57 HIS . 18377 1 8 58 HIS . 18377 1 9 59 HIS . 18377 1 10 60 GLY . 18377 1 11 61 SER . 18377 1 12 62 VAL . 18377 1 13 63 ALA . 18377 1 14 64 ASP . 18377 1 15 65 ILE . 18377 1 16 66 GLN . 18377 1 17 67 GLN . 18377 1 18 68 LEU . 18377 1 19 69 GLU . 18377 1 20 70 GLU . 18377 1 21 71 LYS . 18377 1 22 72 VAL . 18377 1 23 73 ASP . 18377 1 24 74 GLU . 18377 1 25 75 SER . 18377 1 26 76 ASP . 18377 1 27 77 VAL . 18377 1 28 78 ARG . 18377 1 29 79 ILE . 18377 1 30 80 TYR . 18377 1 31 81 PHE . 18377 1 32 82 ASN . 18377 1 33 83 GLU . 18377 1 34 84 LYS . 18377 1 35 85 SER . 18377 1 36 86 SER . 18377 1 37 87 GLY . 18377 1 38 88 GLY . 18377 1 39 89 LYS . 18377 1 40 90 ILE . 18377 1 41 91 SER . 18377 1 42 92 ILE . 18377 1 43 93 ASP . 18377 1 44 94 ASN . 18377 1 45 95 ALA . 18377 1 46 96 SER . 18377 1 47 97 TYR . 18377 1 48 98 ASN . 18377 1 49 99 ALA . 18377 1 50 100 ARG . 18377 1 51 101 LYS . 18377 1 52 102 LEU . 18377 1 53 103 GLY . 18377 1 54 104 LEU . 18377 1 55 105 ALA . 18377 1 56 106 PRO . 18377 1 57 107 SER . 18377 1 58 108 SER . 18377 1 59 109 ILE . 18377 1 60 110 ASP . 18377 1 61 111 GLU . 18377 1 62 112 LYS . 18377 1 63 113 LYS . 18377 1 64 114 ILE . 18377 1 65 115 LYS . 18377 1 66 116 GLU . 18377 1 67 117 LEU . 18377 1 68 118 TYR . 18377 1 69 119 GLY . 18377 1 70 120 ASP . 18377 1 71 121 ASN . 18377 1 72 122 LEU . 18377 1 73 123 THR . 18377 1 74 124 TYR . 18377 1 75 125 GLU . 18377 1 76 126 GLN . 18377 1 77 127 TYR . 18377 1 78 128 LEU . 18377 1 79 129 GLU . 18377 1 80 130 TYR . 18377 1 81 131 LEU . 18377 1 82 132 SER . 18377 1 83 133 ILE . 18377 1 84 134 CYS . 18377 1 85 135 VAL . 18377 1 86 136 HIS . 18377 1 87 137 ASP . 18377 1 88 138 LYS . 18377 1 89 139 ASP . 18377 1 90 140 ASN . 18377 1 91 141 VAL . 18377 1 92 142 GLU . 18377 1 93 143 GLU . 18377 1 94 144 LEU . 18377 1 95 145 ILE . 18377 1 96 146 LYS . 18377 1 97 147 MET . 18377 1 98 148 PHE . 18377 1 99 149 ALA . 18377 1 100 150 HIS . 18377 1 101 151 PHE . 18377 1 102 152 ASP . 18377 1 103 153 ASN . 18377 1 104 154 ASN . 18377 1 105 155 CYS . 18377 1 106 156 THR . 18377 1 107 157 GLY . 18377 1 108 158 TYR . 18377 1 109 159 LEU . 18377 1 110 160 THR . 18377 1 111 161 LYS . 18377 1 112 162 SER . 18377 1 113 163 GLN . 18377 1 114 164 MET . 18377 1 115 165 LYS . 18377 1 116 166 ASN . 18377 1 117 167 ILE . 18377 1 118 168 LEU . 18377 1 119 169 THR . 18377 1 120 170 THR . 18377 1 121 171 TRP . 18377 1 122 172 GLY . 18377 1 123 173 ASP . 18377 1 124 174 ALA . 18377 1 125 175 LEU . 18377 1 126 176 THR . 18377 1 127 177 ASP . 18377 1 128 178 GLN . 18377 1 129 179 GLU . 18377 1 130 180 ALA . 18377 1 131 181 ILE . 18377 1 132 182 ASP . 18377 1 133 183 ALA . 18377 1 134 184 LEU . 18377 1 135 185 ASN . 18377 1 136 186 ALA . 18377 1 137 187 PHE . 18377 1 138 188 SER . 18377 1 139 189 SER . 18377 1 140 190 GLU . 18377 1 141 191 ASP . 18377 1 142 192 ASN . 18377 1 143 193 ILE . 18377 1 144 194 ASP . 18377 1 145 195 TYR . 18377 1 146 196 LYS . 18377 1 147 197 LEU . 18377 1 148 198 PHE . 18377 1 149 199 CYS . 18377 1 150 200 GLU . 18377 1 151 201 ASP . 18377 1 152 202 ILE . 18377 1 153 203 LEU . 18377 1 154 204 GLN . 18377 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 . ARG 1 1 18377 1 . GLY 2 2 18377 1 . SER 3 3 18377 1 . HIS 4 4 18377 1 . HIS 5 5 18377 1 . HIS 6 6 18377 1 . HIS 7 7 18377 1 . HIS 8 8 18377 1 . HIS 9 9 18377 1 . GLY 10 10 18377 1 . SER 11 11 18377 1 . VAL 12 12 18377 1 . ALA 13 13 18377 1 . ASP 14 14 18377 1 . ILE 15 15 18377 1 . GLN 16 16 18377 1 . GLN 17 17 18377 1 . LEU 18 18 18377 1 . GLU 19 19 18377 1 . GLU 20 20 18377 1 . LYS 21 21 18377 1 . VAL 22 22 18377 1 . ASP 23 23 18377 1 . GLU 24 24 18377 1 . SER 25 25 18377 1 . ASP 26 26 18377 1 . VAL 27 27 18377 1 . ARG 28 28 18377 1 . ILE 29 29 18377 1 . TYR 30 30 18377 1 . PHE 31 31 18377 1 . ASN 32 32 18377 1 . GLU 33 33 18377 1 . LYS 34 34 18377 1 . SER 35 35 18377 1 . SER 36 36 18377 1 . GLY 37 37 18377 1 . GLY 38 38 18377 1 . LYS 39 39 18377 1 . ILE 40 40 18377 1 . SER 41 41 18377 1 . ILE 42 42 18377 1 . ASP 43 43 18377 1 . ASN 44 44 18377 1 . ALA 45 45 18377 1 . SER 46 46 18377 1 . TYR 47 47 18377 1 . ASN 48 48 18377 1 . ALA 49 49 18377 1 . ARG 50 50 18377 1 . LYS 51 51 18377 1 . LEU 52 52 18377 1 . GLY 53 53 18377 1 . LEU 54 54 18377 1 . ALA 55 55 18377 1 . PRO 56 56 18377 1 . SER 57 57 18377 1 . SER 58 58 18377 1 . ILE 59 59 18377 1 . ASP 60 60 18377 1 . GLU 61 61 18377 1 . LYS 62 62 18377 1 . LYS 63 63 18377 1 . ILE 64 64 18377 1 . LYS 65 65 18377 1 . GLU 66 66 18377 1 . LEU 67 67 18377 1 . TYR 68 68 18377 1 . GLY 69 69 18377 1 . ASP 70 70 18377 1 . ASN 71 71 18377 1 . LEU 72 72 18377 1 . THR 73 73 18377 1 . TYR 74 74 18377 1 . GLU 75 75 18377 1 . GLN 76 76 18377 1 . TYR 77 77 18377 1 . LEU 78 78 18377 1 . GLU 79 79 18377 1 . TYR 80 80 18377 1 . LEU 81 81 18377 1 . SER 82 82 18377 1 . ILE 83 83 18377 1 . CYS 84 84 18377 1 . VAL 85 85 18377 1 . HIS 86 86 18377 1 . ASP 87 87 18377 1 . LYS 88 88 18377 1 . ASP 89 89 18377 1 . ASN 90 90 18377 1 . VAL 91 91 18377 1 . GLU 92 92 18377 1 . GLU 93 93 18377 1 . LEU 94 94 18377 1 . ILE 95 95 18377 1 . LYS 96 96 18377 1 . MET 97 97 18377 1 . PHE 98 98 18377 1 . ALA 99 99 18377 1 . HIS 100 100 18377 1 . PHE 101 101 18377 1 . ASP 102 102 18377 1 . ASN 103 103 18377 1 . ASN 104 104 18377 1 . CYS 105 105 18377 1 . THR 106 106 18377 1 . GLY 107 107 18377 1 . TYR 108 108 18377 1 . LEU 109 109 18377 1 . THR 110 110 18377 1 . LYS 111 111 18377 1 . SER 112 112 18377 1 . GLN 113 113 18377 1 . MET 114 114 18377 1 . LYS 115 115 18377 1 . ASN 116 116 18377 1 . ILE 117 117 18377 1 . LEU 118 118 18377 1 . THR 119 119 18377 1 . THR 120 120 18377 1 . TRP 121 121 18377 1 . GLY 122 122 18377 1 . ASP 123 123 18377 1 . ALA 124 124 18377 1 . LEU 125 125 18377 1 . THR 126 126 18377 1 . ASP 127 127 18377 1 . GLN 128 128 18377 1 . GLU 129 129 18377 1 . ALA 130 130 18377 1 . ILE 131 131 18377 1 . ASP 132 132 18377 1 . ALA 133 133 18377 1 . LEU 134 134 18377 1 . ASN 135 135 18377 1 . ALA 136 136 18377 1 . PHE 137 137 18377 1 . SER 138 138 18377 1 . SER 139 139 18377 1 . GLU 140 140 18377 1 . ASP 141 141 18377 1 . ASN 142 142 18377 1 . ILE 143 143 18377 1 . ASP 144 144 18377 1 . TYR 145 145 18377 1 . LYS 146 146 18377 1 . LEU 147 147 18377 1 . PHE 148 148 18377 1 . CYS 149 149 18377 1 . GLU 150 150 18377 1 . ASP 151 151 18377 1 . ILE 152 152 18377 1 . LEU 153 153 18377 1 . GLN 154 154 18377 1 stop_ save_ save_MyoA(799-818)_peptide _Entity.Sf_category entity _Entity.Sf_framecode MyoA(799-818)_peptide _Entity.Entry_ID 18377 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MyoA(799-818)_peptide _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 KNIPSLLRVQAHIRKKMVAQ _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'MyoA(799-818) peptide' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2372.91 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'acetylated N-terminus, free C-terminus' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 LYS . 18377 2 2 2 ASN . 18377 2 3 3 ILE . 18377 2 4 4 PRO . 18377 2 5 5 SER . 18377 2 6 6 LEU . 18377 2 7 7 LEU . 18377 2 8 8 ARG . 18377 2 9 9 VAL . 18377 2 10 10 GLN . 18377 2 11 11 ALA . 18377 2 12 12 HIS . 18377 2 13 13 ILE . 18377 2 14 14 ARG . 18377 2 15 15 LYS . 18377 2 16 16 LYS . 18377 2 17 17 MET . 18377 2 18 18 VAL . 18377 2 19 19 ALA . 18377 2 20 20 GLN . 18377 2 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 . LYS 1 1 18377 2 . ASN 2 2 18377 2 . ILE 3 3 18377 2 . PRO 4 4 18377 2 . SER 5 5 18377 2 . LEU 6 6 18377 2 . LEU 7 7 18377 2 . ARG 8 8 18377 2 . VAL 9 9 18377 2 . GLN 10 10 18377 2 . ALA 11 11 18377 2 . HIS 12 12 18377 2 . ILE 13 13 18377 2 . ARG 14 14 18377 2 . LYS 15 15 18377 2 . LYS 16 16 18377 2 . MET 17 17 18377 2 . VAL 18 18 18377 2 . ALA 19 19 18377 2 . GLN 20 20 18377 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18377 _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 $MTIP(61-204) . 5833 organism . 'Plasmodium falciparum' 'malaria parasite P. falciparum' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . . . . . . . . . 18377 1 2 2 $MyoA(799-818)_peptide . 5833 organism . 'Plasmodium falciparum' 'malaria parasite P. falciparum' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . . . . . . . . . 18377 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 18377 _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 $MTIP(61-204) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE30 . . . . . . 18377 1 2 2 $MyoA(799-818)_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18377 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18377 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'MTIP(61-204) bound by MyoA(799-818)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MTIP(61-204) '[U-98% 13C; U-98% 15N]' . . 1 $MTIP(61-204) . . 0.5 . . mM . . . . 18377 1 2 'MOPS buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 18377 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18377 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 18377 1 5 'sodium azide' 'natural abundance' . . . . . . 0.005 . . % . . . . 18377 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18377 1 7 'MyoA(799-818) peptide' 'natural abundance' . . 2 $MyoA(799-818)_peptide . . 1.5 . . mM . . . . 18377 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18377 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18377 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 pH 18377 1 pressure 1 . atm 18377 1 temperature 303 . K 18377 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18377 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18377 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18377 1 'data analysis' 18377 1 'peak picking' 18377 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18377 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18377 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18377 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18377 1 2 spectrometer_2 Bruker Avance . 800 . . . 18377 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 18377 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18377 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18377 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18377 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18377 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18377 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18377 _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 water protons . . . . ppm 4.725 internal indirect 0.251449530 . . . . . . . . . 18377 1 H 1 water protons . . . . ppm 4.725 internal direct 1 . . . . . . . . . 18377 1 N 15 water protons . . . . ppm 4.725 internal indirect 0.101329118 . . . . . . . . . 18377 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_assignments_nv_sequence _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_nv_sequence _Assigned_chem_shift_list.Entry_ID 18377 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18377 1 2 '3D HNCO' . . . 18377 1 3 '3D HN(CA)CO' . . . 18377 1 4 '3D CBCA(CO)NH' . . . 18377 1 5 '3D HNCACB' . . . 18377 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 9 9 HIS C C 13 176.818 0.50 . 1 . . . . 59 HIS C . 18377 1 2 . 1 1 10 10 GLY H H 1 8.395 0.03 . 1 . . . . 60 GLY HN . 18377 1 3 . 1 1 10 10 GLY CA C 13 43.666 0.50 . 1 . . . . 60 GLY CA . 18377 1 4 . 1 1 10 10 GLY N N 15 117.132 0.20 . 1 . . . . 60 GLY N . 18377 1 5 . 1 1 11 11 SER C C 13 174.607 0.50 . 1 . . . . 61 SER C . 18377 1 6 . 1 1 11 11 SER CA C 13 58.185 0.50 . 1 . . . . 61 SER CA . 18377 1 7 . 1 1 11 11 SER CB C 13 64.339 0.50 . 1 . . . . 61 SER CB . 18377 1 8 . 1 1 12 12 VAL H H 1 8.315 0.03 . 1 . . . . 62 VAL HN . 18377 1 9 . 1 1 12 12 VAL C C 13 175.769 0.50 . 1 . . . . 62 VAL C . 18377 1 10 . 1 1 12 12 VAL CA C 13 62.840 0.50 . 1 . . . . 62 VAL CA . 18377 1 11 . 1 1 12 12 VAL CB C 13 32.620 0.50 . 1 . . . . 62 VAL CB . 18377 1 12 . 1 1 12 12 VAL N N 15 121.654 0.20 . 1 . . . . 62 VAL N . 18377 1 13 . 1 1 13 13 ALA H H 1 8.282 0.03 . 1 . . . . 63 ALA HN . 18377 1 14 . 1 1 13 13 ALA C C 13 177.299 0.50 . 1 . . . . 63 ALA C . 18377 1 15 . 1 1 13 13 ALA CA C 13 52.819 0.50 . 1 . . . . 63 ALA CA . 18377 1 16 . 1 1 13 13 ALA CB C 13 19.363 0.50 . 1 . . . . 63 ALA CB . 18377 1 17 . 1 1 13 13 ALA N N 15 126.045 0.20 . 1 . . . . 63 ALA N . 18377 1 18 . 1 1 14 14 ASP H H 1 8.069 0.03 . 1 . . . . 64 ASP HN . 18377 1 19 . 1 1 14 14 ASP C C 13 176.381 0.50 . 1 . . . . 64 ASP C . 18377 1 20 . 1 1 14 14 ASP CA C 13 54.555 0.50 . 1 . . . . 64 ASP CA . 18377 1 21 . 1 1 14 14 ASP CB C 13 41.299 0.50 . 1 . . . . 64 ASP CB . 18377 1 22 . 1 1 14 14 ASP N N 15 119.157 0.20 . 1 . . . . 64 ASP N . 18377 1 23 . 1 1 15 15 ILE H H 1 7.965 0.03 . 1 . . . . 65 ILE HN . 18377 1 24 . 1 1 15 15 ILE C C 13 175.986 0.50 . 1 . . . . 65 ILE C . 18377 1 25 . 1 1 15 15 ILE CA C 13 61.499 0.50 . 1 . . . . 65 ILE CA . 18377 1 26 . 1 1 15 15 ILE CB C 13 38.537 0.50 . 1 . . . . 65 ILE CB . 18377 1 27 . 1 1 15 15 ILE N N 15 120.558 0.20 . 1 . . . . 65 ILE N . 18377 1 28 . 1 1 16 16 GLN H H 1 8.446 0.03 . 1 . . . . 66 GLN HN . 18377 1 29 . 1 1 16 16 GLN C C 13 176.371 0.50 . 1 . . . . 66 GLN C . 18377 1 30 . 1 1 16 16 GLN CA C 13 56.449 0.50 . 1 . . . . 66 GLN CA . 18377 1 31 . 1 1 16 16 GLN CB C 13 29.306 0.50 . 1 . . . . 66 GLN CB . 18377 1 32 . 1 1 16 16 GLN N N 15 124.030 0.20 . 1 . . . . 66 GLN N . 18377 1 33 . 1 1 17 17 GLN H H 1 8.260 0.03 . 1 . . . . 67 GLN HN . 18377 1 34 . 1 1 17 17 GLN C C 13 176.157 0.50 . 1 . . . . 67 GLN C . 18377 1 35 . 1 1 17 17 GLN CA C 13 56.212 0.50 . 1 . . . . 67 GLN CA . 18377 1 36 . 1 1 17 17 GLN CB C 13 29.148 0.50 . 1 . . . . 67 GLN CB . 18377 1 37 . 1 1 17 17 GLN N N 15 120.564 0.20 . 1 . . . . 67 GLN N . 18377 1 38 . 1 1 18 18 LEU H H 1 8.125 0.03 . 1 . . . . 68 LEU HN . 18377 1 39 . 1 1 18 18 LEU C C 13 177.340 0.50 . 1 . . . . 68 LEU C . 18377 1 40 . 1 1 18 18 LEU CA C 13 56.054 0.50 . 1 . . . . 68 LEU CA . 18377 1 41 . 1 1 18 18 LEU CB C 13 42.483 0.50 . 1 . . . . 68 LEU CB . 18377 1 42 . 1 1 18 18 LEU N N 15 122.736 0.20 . 1 . . . . 68 LEU N . 18377 1 43 . 1 1 19 19 GLU H H 1 8.299 0.03 . 1 . . . . 69 GLU HN . 18377 1 44 . 1 1 19 19 GLU C C 13 176.361 0.50 . 1 . . . . 69 GLU C . 18377 1 45 . 1 1 19 19 GLU CA C 13 57.238 0.50 . 1 . . . . 69 GLU CA . 18377 1 46 . 1 1 19 19 GLU CB C 13 30.173 0.50 . 1 . . . . 69 GLU CB . 18377 1 47 . 1 1 19 19 GLU N N 15 120.492 0.20 . 1 . . . . 69 GLU N . 18377 1 48 . 1 1 20 20 GLU H H 1 8.196 0.03 . 1 . . . . 70 GLU HN . 18377 1 49 . 1 1 20 20 GLU C C 13 175.096 0.50 . 1 . . . . 70 GLU C . 18377 1 50 . 1 1 20 20 GLU CA C 13 57.080 0.50 . 1 . . . . 70 GLU CA . 18377 1 51 . 1 1 20 20 GLU CB C 13 30.252 0.50 . 1 . . . . 70 GLU CB . 18377 1 52 . 1 1 20 20 GLU N N 15 120.901 0.20 . 1 . . . . 70 GLU N . 18377 1 53 . 1 1 21 21 LYS H H 1 8.254 0.03 . 1 . . . . 71 LYS HN . 18377 1 54 . 1 1 21 21 LYS C C 13 176.218 0.50 . 1 . . . . 71 LYS C . 18377 1 55 . 1 1 21 21 LYS CA C 13 56.133 0.50 . 1 . . . . 71 LYS CA . 18377 1 56 . 1 1 21 21 LYS CB C 13 33.330 0.50 . 1 . . . . 71 LYS CB . 18377 1 57 . 1 1 21 21 LYS N N 15 121.990 0.20 . 1 . . . . 71 LYS N . 18377 1 58 . 1 1 22 22 VAL H H 1 8.107 0.03 . 1 . . . . 72 VAL HN . 18377 1 59 . 1 1 22 22 VAL C C 13 175.055 0.50 . 1 . . . . 72 VAL C . 18377 1 60 . 1 1 22 22 VAL CA C 13 61.656 0.50 . 1 . . . . 72 VAL CA . 18377 1 61 . 1 1 22 22 VAL CB C 13 33.330 0.50 . 1 . . . . 72 VAL CB . 18377 1 62 . 1 1 22 22 VAL N N 15 119.902 0.20 . 1 . . . . 72 VAL N . 18377 1 63 . 1 1 23 23 ASP H H 1 8.431 0.03 . 1 . . . . 73 ASP HN . 18377 1 64 . 1 1 23 23 ASP C C 13 175.953 0.50 . 1 . . . . 73 ASP C . 18377 1 65 . 1 1 23 23 ASP CA C 13 54.161 0.50 . 1 . . . . 73 ASP CA . 18377 1 66 . 1 1 23 23 ASP CB C 13 41.536 0.50 . 1 . . . . 73 ASP CB . 18377 1 67 . 1 1 23 23 ASP N N 15 123.776 0.20 . 1 . . . . 73 ASP N . 18377 1 68 . 1 1 24 24 GLU H H 1 8.477 0.03 . 1 . . . . 74 GLU HN . 18377 1 69 . 1 1 24 24 GLU C C 13 176.157 0.50 . 1 . . . . 74 GLU C . 18377 1 70 . 1 1 24 24 GLU CA C 13 56.685 0.50 . 1 . . . . 74 GLU CA . 18377 1 71 . 1 1 24 24 GLU CB C 13 30.016 0.50 . 1 . . . . 74 GLU CB . 18377 1 72 . 1 1 24 24 GLU N N 15 123.558 0.20 . 1 . . . . 74 GLU N . 18377 1 73 . 1 1 25 25 SER H H 1 8.306 0.03 . 1 . . . . 75 SER HN . 18377 1 74 . 1 1 25 25 SER C C 13 175.198 0.50 . 1 . . . . 75 SER C . 18377 1 75 . 1 1 25 25 SER CA C 13 59.210 0.50 . 1 . . . . 75 SER CA . 18377 1 76 . 1 1 25 25 SER CB C 13 64.181 0.50 . 1 . . . . 75 SER CB . 18377 1 77 . 1 1 25 25 SER N N 15 116.212 0.20 . 1 . . . . 75 SER N . 18377 1 78 . 1 1 26 26 ASP H H 1 8.390 0.03 . 1 . . . . 76 ASP HN . 18377 1 79 . 1 1 26 26 ASP C C 13 176.504 0.50 . 1 . . . . 76 ASP C . 18377 1 80 . 1 1 26 26 ASP CA C 13 57.396 0.50 . 1 . . . . 76 ASP CA . 18377 1 81 . 1 1 26 26 ASP CB C 13 39.879 0.50 . 1 . . . . 76 ASP CB . 18377 1 82 . 1 1 26 26 ASP N N 15 123.506 0.20 . 1 . . . . 76 ASP N . 18377 1 83 . 1 1 27 27 VAL H H 1 7.774 0.03 . 1 . . . . 77 VAL HN . 18377 1 84 . 1 1 27 27 VAL C C 13 178.727 0.50 . 1 . . . . 77 VAL C . 18377 1 85 . 1 1 27 27 VAL CA C 13 66.864 0.50 . 1 . . . . 77 VAL CA . 18377 1 86 . 1 1 27 27 VAL CB C 13 32.462 0.50 . 1 . . . . 77 VAL CB . 18377 1 87 . 1 1 27 27 VAL N N 15 116.749 0.20 . 1 . . . . 77 VAL N . 18377 1 88 . 1 1 28 28 ARG H H 1 7.518 0.03 . 1 . . . . 78 ARG HN . 18377 1 89 . 1 1 28 28 ARG C C 13 177.646 0.50 . 1 . . . . 78 ARG C . 18377 1 90 . 1 1 28 28 ARG CA C 13 58.500 0.50 . 1 . . . . 78 ARG CA . 18377 1 91 . 1 1 28 28 ARG CB C 13 30.252 0.50 . 1 . . . . 78 ARG CB . 18377 1 92 . 1 1 28 28 ARG N N 15 121.212 0.20 . 1 . . . . 78 ARG N . 18377 1 93 . 1 1 29 29 ILE H H 1 8.485 0.03 . 1 . . . . 79 ILE HN . 18377 1 94 . 1 1 29 29 ILE C C 13 179.522 0.50 . 1 . . . . 79 ILE C . 18377 1 95 . 1 1 29 29 ILE CA C 13 65.365 0.50 . 1 . . . . 79 ILE CA . 18377 1 96 . 1 1 29 29 ILE CB C 13 37.827 0.50 . 1 . . . . 79 ILE CB . 18377 1 97 . 1 1 29 29 ILE N N 15 122.375 0.20 . 1 . . . . 79 ILE N . 18377 1 98 . 1 1 30 30 TYR H H 1 8.817 0.03 . 1 . . . . 80 TYR HN . 18377 1 99 . 1 1 30 30 TYR C C 13 180.461 0.50 . 1 . . . . 80 TYR C . 18377 1 100 . 1 1 30 30 TYR CA C 13 57.790 0.50 . 1 . . . . 80 TYR CA . 18377 1 101 . 1 1 30 30 TYR CB C 13 35.144 0.50 . 1 . . . . 80 TYR CB . 18377 1 102 . 1 1 30 30 TYR N N 15 116.961 0.20 . 1 . . . . 80 TYR N . 18377 1 103 . 1 1 31 31 PHE H H 1 7.532 0.03 . 1 . . . . 81 PHE HN . 18377 1 104 . 1 1 31 31 PHE C C 13 176.667 0.50 . 1 . . . . 81 PHE C . 18377 1 105 . 1 1 31 31 PHE CA C 13 62.761 0.50 . 1 . . . . 81 PHE CA . 18377 1 106 . 1 1 31 31 PHE CB C 13 39.011 0.50 . 1 . . . . 81 PHE CB . 18377 1 107 . 1 1 31 31 PHE N N 15 121.080 0.20 . 1 . . . . 81 PHE N . 18377 1 108 . 1 1 32 32 ASN H H 1 8.933 0.03 . 1 . . . . 82 ASN HN . 18377 1 109 . 1 1 32 32 ASN C C 13 177.666 0.50 . 1 . . . . 82 ASN C . 18377 1 110 . 1 1 32 32 ASN CA C 13 55.739 0.50 . 1 . . . . 82 ASN CA . 18377 1 111 . 1 1 32 32 ASN CB C 13 37.433 0.50 . 1 . . . . 82 ASN CB . 18377 1 112 . 1 1 32 32 ASN N N 15 120.264 0.20 . 1 . . . . 82 ASN N . 18377 1 113 . 1 1 33 33 GLU H H 1 8.086 0.03 . 1 . . . . 83 GLU HN . 18377 1 114 . 1 1 33 33 GLU C C 13 177.727 0.50 . 1 . . . . 83 GLU C . 18377 1 115 . 1 1 33 33 GLU CA C 13 58.895 0.50 . 1 . . . . 83 GLU CA . 18377 1 116 . 1 1 33 33 GLU CB C 13 30.726 0.50 . 1 . . . . 83 GLU CB . 18377 1 117 . 1 1 33 33 GLU N N 15 117.405 0.20 . 1 . . . . 83 GLU N . 18377 1 118 . 1 1 34 34 LYS H H 1 6.936 0.03 . 1 . . . . 84 LYS HN . 18377 1 119 . 1 1 34 34 LYS C C 13 175.912 0.50 . 1 . . . . 84 LYS C . 18377 1 120 . 1 1 34 34 LYS CA C 13 54.003 0.50 . 1 . . . . 84 LYS CA . 18377 1 121 . 1 1 34 34 LYS CB C 13 34.750 0.50 . 1 . . . . 84 LYS CB . 18377 1 122 . 1 1 34 34 LYS N N 15 113.080 0.20 . 1 . . . . 84 LYS N . 18377 1 123 . 1 1 35 35 SER H H 1 7.671 0.03 . 1 . . . . 85 SER HN . 18377 1 124 . 1 1 35 35 SER C C 13 173.587 0.50 . 1 . . . . 85 SER C . 18377 1 125 . 1 1 35 35 SER CA C 13 58.027 0.50 . 1 . . . . 85 SER CA . 18377 1 126 . 1 1 35 35 SER CB C 13 64.418 0.50 . 1 . . . . 85 SER CB . 18377 1 127 . 1 1 35 35 SER N N 15 116.751 0.20 . 1 . . . . 85 SER N . 18377 1 128 . 1 1 36 36 SER H H 1 8.886 0.03 . 1 . . . . 86 SER HN . 18377 1 129 . 1 1 36 36 SER C C 13 176.238 0.50 . 1 . . . . 86 SER C . 18377 1 130 . 1 1 36 36 SER CA C 13 57.632 0.50 . 1 . . . . 86 SER CA . 18377 1 131 . 1 1 36 36 SER CB C 13 63.787 0.50 . 1 . . . . 86 SER CB . 18377 1 132 . 1 1 36 36 SER N N 15 114.295 0.20 . 1 . . . . 86 SER N . 18377 1 133 . 1 1 37 37 GLY C C 13 175.545 0.50 . 1 . . . . 87 GLY C . 18377 1 134 . 1 1 37 37 GLY CA C 13 47.138 0.50 . 1 . . . . 87 GLY CA . 18377 1 135 . 1 1 38 38 GLY H H 1 8.765 0.03 . 1 . . . . 88 GLY HN . 18377 1 136 . 1 1 38 38 GLY C C 13 173.199 0.50 . 1 . . . . 88 GLY C . 18377 1 137 . 1 1 38 38 GLY CA C 13 45.008 0.50 . 1 . . . . 88 GLY CA . 18377 1 138 . 1 1 38 38 GLY N N 15 105.120 0.20 . 1 . . . . 88 GLY N . 18377 1 139 . 1 1 39 39 LYS H H 1 7.425 0.03 . 1 . . . . 89 LYS HN . 18377 1 140 . 1 1 39 39 LYS C C 13 174.117 0.50 . 1 . . . . 89 LYS C . 18377 1 141 . 1 1 39 39 LYS CA C 13 54.476 0.50 . 1 . . . . 89 LYS CA . 18377 1 142 . 1 1 39 39 LYS CB C 13 37.669 0.50 . 1 . . . . 89 LYS CB . 18377 1 143 . 1 1 39 39 LYS N N 15 117.020 0.20 . 1 . . . . 89 LYS N . 18377 1 144 . 1 1 40 40 ILE H H 1 9.656 0.03 . 1 . . . . 90 ILE HN . 18377 1 145 . 1 1 40 40 ILE C C 13 172.853 0.50 . 1 . . . . 90 ILE C . 18377 1 146 . 1 1 40 40 ILE CA C 13 58.185 0.50 . 1 . . . . 90 ILE CA . 18377 1 147 . 1 1 40 40 ILE CB C 13 42.325 0.50 . 1 . . . . 90 ILE CB . 18377 1 148 . 1 1 40 40 ILE N N 15 121.251 0.20 . 1 . . . . 90 ILE N . 18377 1 149 . 1 1 41 41 SER H H 1 8.769 0.03 . 1 . . . . 91 SER HN . 18377 1 150 . 1 1 41 41 SER C C 13 175.769 0.50 . 1 . . . . 91 SER C . 18377 1 151 . 1 1 41 41 SER CA C 13 57.711 0.50 . 1 . . . . 91 SER CA . 18377 1 152 . 1 1 41 41 SER CB C 13 64.892 0.50 . 1 . . . . 91 SER CB . 18377 1 153 . 1 1 41 41 SER N N 15 124.305 0.20 . 1 . . . . 91 SER N . 18377 1 154 . 1 1 42 42 ILE H H 1 7.944 0.03 . 1 . . . . 92 ILE HN . 18377 1 155 . 1 1 42 42 ILE C C 13 177.034 0.50 . 1 . . . . 92 ILE C . 18377 1 156 . 1 1 42 42 ILE CA C 13 64.576 0.50 . 1 . . . . 92 ILE CA . 18377 1 157 . 1 1 42 42 ILE CB C 13 36.249 0.50 . 1 . . . . 92 ILE CB . 18377 1 158 . 1 1 42 42 ILE N N 15 120.628 0.20 . 1 . . . . 92 ILE N . 18377 1 159 . 1 1 43 43 ASP H H 1 8.370 0.03 . 1 . . . . 93 ASP HN . 18377 1 160 . 1 1 43 43 ASP C C 13 179.726 0.50 . 1 . . . . 93 ASP C . 18377 1 161 . 1 1 43 43 ASP CA C 13 57.711 0.50 . 1 . . . . 93 ASP CA . 18377 1 162 . 1 1 43 43 ASP CB C 13 40.668 0.50 . 1 . . . . 93 ASP CB . 18377 1 163 . 1 1 43 43 ASP N N 15 116.640 0.20 . 1 . . . . 93 ASP N . 18377 1 164 . 1 1 44 44 ASN H H 1 7.820 0.03 . 1 . . . . 94 ASN HN . 18377 1 165 . 1 1 44 44 ASN C C 13 176.789 0.50 . 1 . . . . 94 ASN C . 18377 1 166 . 1 1 44 44 ASN CA C 13 55.344 0.50 . 1 . . . . 94 ASN CA . 18377 1 167 . 1 1 44 44 ASN CB C 13 37.748 0.50 . 1 . . . . 94 ASN CB . 18377 1 168 . 1 1 44 44 ASN N N 15 117.917 0.20 . 1 . . . . 94 ASN N . 18377 1 169 . 1 1 45 45 ALA H H 1 9.126 0.03 . 1 . . . . 95 ALA HN . 18377 1 170 . 1 1 45 45 ALA C C 13 179.726 0.50 . 1 . . . . 95 ALA C . 18377 1 171 . 1 1 45 45 ALA CA C 13 56.528 0.50 . 1 . . . . 95 ALA CA . 18377 1 172 . 1 1 45 45 ALA CB C 13 18.653 0.50 . 1 . . . . 95 ALA CB . 18377 1 173 . 1 1 45 45 ALA N N 15 126.806 0.20 . 1 . . . . 95 ALA N . 18377 1 174 . 1 1 46 46 SER H H 1 9.435 0.03 . 1 . . . . 96 SER HN . 18377 1 175 . 1 1 46 46 SER C C 13 175.458 0.50 . 1 . . . . 96 SER C . 18377 1 176 . 1 1 46 46 SER CA C 13 63.235 0.50 . 1 . . . . 96 SER CA . 18377 1 177 . 1 1 46 46 SER CB C 13 63.156 0.50 . 1 . . . . 96 SER CB . 18377 1 178 . 1 1 46 46 SER N N 15 116.755 0.20 . 1 . . . . 96 SER N . 18377 1 179 . 1 1 47 47 TYR H H 1 7.872 0.03 . 1 . . . . 97 TYR HN . 18377 1 180 . 1 1 47 47 TYR C C 13 176.626 0.50 . 1 . . . . 97 TYR C . 18377 1 181 . 1 1 47 47 TYR CA C 13 62.130 0.50 . 1 . . . . 97 TYR CA . 18377 1 182 . 1 1 47 47 TYR CB C 13 38.143 0.50 . 1 . . . . 97 TYR CB . 18377 1 183 . 1 1 47 47 TYR N N 15 123.306 0.20 . 1 . . . . 97 TYR N . 18377 1 184 . 1 1 48 48 ASN H H 1 8.483 0.03 . 1 . . . . 98 ASN HN . 18377 1 185 . 1 1 48 48 ASN C C 13 176.891 0.50 . 1 . . . . 98 ASN C . 18377 1 186 . 1 1 48 48 ASN CA C 13 55.502 0.50 . 1 . . . . 98 ASN CA . 18377 1 187 . 1 1 48 48 ASN CB C 13 37.275 0.50 . 1 . . . . 98 ASN CB . 18377 1 188 . 1 1 48 48 ASN N N 15 119.215 0.20 . 1 . . . . 98 ASN N . 18377 1 189 . 1 1 49 49 ALA H H 1 8.816 0.03 . 1 . . . . 99 ALA HN . 18377 1 190 . 1 1 49 49 ALA C C 13 178.870 0.50 . 1 . . . . 99 ALA C . 18377 1 191 . 1 1 49 49 ALA CA C 13 55.896 0.50 . 1 . . . . 99 ALA CA . 18377 1 192 . 1 1 49 49 ALA CB C 13 17.706 0.50 . 1 . . . . 99 ALA CB . 18377 1 193 . 1 1 49 49 ALA N N 15 121.226 0.20 . 1 . . . . 99 ALA N . 18377 1 194 . 1 1 50 50 ARG H H 1 7.916 0.03 . 1 . . . . 100 ARG HN . 18377 1 195 . 1 1 50 50 ARG C C 13 180.787 0.50 . 1 . . . . 100 ARG C . 18377 1 196 . 1 1 50 50 ARG CA C 13 58.895 0.50 . 1 . . . . 100 ARG CA . 18377 1 197 . 1 1 50 50 ARG CB C 13 30.410 0.50 . 1 . . . . 100 ARG CB . 18377 1 198 . 1 1 50 50 ARG N N 15 118.163 0.20 . 1 . . . . 100 ARG N . 18377 1 199 . 1 1 51 51 LYS H H 1 8.303 0.03 . 1 . . . . 101 LYS HN . 18377 1 200 . 1 1 51 51 LYS C C 13 178.543 0.50 . 1 . . . . 101 LYS C . 18377 1 201 . 1 1 51 51 LYS CA C 13 59.526 0.50 . 1 . . . . 101 LYS CA . 18377 1 202 . 1 1 51 51 LYS CB C 13 31.988 0.50 . 1 . . . . 101 LYS CB . 18377 1 203 . 1 1 51 51 LYS N N 15 122.728 0.20 . 1 . . . . 101 LYS N . 18377 1 204 . 1 1 52 52 LEU H H 1 7.861 0.03 . 1 . . . . 102 LEU HN . 18377 1 205 . 1 1 52 52 LEU C C 13 176.504 0.50 . 1 . . . . 102 LEU C . 18377 1 206 . 1 1 52 52 LEU CA C 13 55.660 0.50 . 1 . . . . 102 LEU CA . 18377 1 207 . 1 1 52 52 LEU CB C 13 42.325 0.50 . 1 . . . . 102 LEU CB . 18377 1 208 . 1 1 52 52 LEU N N 15 118.524 0.20 . 1 . . . . 102 LEU N . 18377 1 209 . 1 1 53 53 GLY H H 1 8.071 0.03 . 1 . . . . 103 GLY HN . 18377 1 210 . 1 1 53 53 GLY C C 13 173.444 0.50 . 1 . . . . 103 GLY C . 18377 1 211 . 1 1 53 53 GLY CA C 13 45.639 0.50 . 1 . . . . 103 GLY CA . 18377 1 212 . 1 1 53 53 GLY N N 15 107.391 0.20 . 1 . . . . 103 GLY N . 18377 1 213 . 1 1 54 54 LEU H H 1 8.510 0.03 . 1 . . . . 104 LEU HN . 18377 1 214 . 1 1 54 54 LEU C C 13 173.934 0.50 . 1 . . . . 104 LEU C . 18377 1 215 . 1 1 54 54 LEU CA C 13 53.450 0.50 . 1 . . . . 104 LEU CA . 18377 1 216 . 1 1 54 54 LEU CB C 13 42.956 0.50 . 1 . . . . 104 LEU CB . 18377 1 217 . 1 1 54 54 LEU N N 15 121.872 0.20 . 1 . . . . 104 LEU N . 18377 1 218 . 1 1 55 55 ALA H H 1 8.452 0.03 . 1 . . . . 105 ALA HN . 18377 1 219 . 1 1 55 55 ALA CA C 13 48.637 0.50 . 1 . . . . 105 ALA CA . 18377 1 220 . 1 1 55 55 ALA CB C 13 18.338 0.50 . 1 . . . . 105 ALA CB . 18377 1 221 . 1 1 55 55 ALA N N 15 116.614 0.20 . 1 . . . . 105 ALA N . 18377 1 222 . 1 1 56 56 PRO C C 13 178.482 0.50 . 1 . . . . 106 PRO C . 18377 1 223 . 1 1 56 56 PRO CA C 13 62.367 0.50 . 1 . . . . 106 PRO CA . 18377 1 224 . 1 1 56 56 PRO CB C 13 33.566 0.50 . 1 . . . . 106 PRO CB . 18377 1 225 . 1 1 57 57 SER H H 1 9.307 0.03 . 1 . . . . 107 SER HN . 18377 1 226 . 1 1 57 57 SER C C 13 175.586 0.50 . 1 . . . . 107 SER C . 18377 1 227 . 1 1 57 57 SER CA C 13 55.975 0.50 . 1 . . . . 107 SER CA . 18377 1 228 . 1 1 57 57 SER CB C 13 68.600 0.50 . 1 . . . . 107 SER CB . 18377 1 229 . 1 1 57 57 SER N N 15 118.966 0.20 . 1 . . . . 107 SER N . 18377 1 230 . 1 1 58 58 SER H H 1 9.735 0.03 . 1 . . . . 108 SER HN . 18377 1 231 . 1 1 58 58 SER CA C 13 61.578 0.50 . 1 . . . . 108 SER CA . 18377 1 232 . 1 1 58 58 SER CB C 13 68.284 0.50 . 1 . . . . 108 SER CB . 18377 1 233 . 1 1 58 58 SER N N 15 117.413 0.20 . 1 . . . . 108 SER N . 18377 1 234 . 1 1 59 59 ILE H H 1 7.798 0.03 . 1 . . . . 109 ILE HN . 18377 1 235 . 1 1 59 59 ILE C C 13 178.441 0.50 . 1 . . . . 109 ILE C . 18377 1 236 . 1 1 59 59 ILE CA C 13 63.787 0.50 . 1 . . . . 109 ILE CA . 18377 1 237 . 1 1 59 59 ILE CB C 13 37.512 0.50 . 1 . . . . 109 ILE CB . 18377 1 238 . 1 1 59 59 ILE N N 15 123.282 0.20 . 1 . . . . 109 ILE N . 18377 1 239 . 1 1 60 60 ASP H H 1 7.058 0.03 . 1 . . . . 110 ASP HN . 18377 1 240 . 1 1 60 60 ASP C C 13 177.483 0.50 . 1 . . . . 110 ASP C . 18377 1 241 . 1 1 60 60 ASP CA C 13 57.790 0.50 . 1 . . . . 110 ASP CA . 18377 1 242 . 1 1 60 60 ASP CB C 13 41.062 0.50 . 1 . . . . 110 ASP CB . 18377 1 243 . 1 1 60 60 ASP N N 15 122.202 0.20 . 1 . . . . 110 ASP N . 18377 1 244 . 1 1 61 61 GLU H H 1 7.513 0.03 . 1 . . . . 111 GLU HN . 18377 1 245 . 1 1 61 61 GLU C C 13 178.380 0.50 . 1 . . . . 111 GLU C . 18377 1 246 . 1 1 61 61 GLU CA C 13 59.526 0.50 . 1 . . . . 111 GLU CA . 18377 1 247 . 1 1 61 61 GLU CB C 13 29.779 0.50 . 1 . . . . 111 GLU CB . 18377 1 248 . 1 1 61 61 GLU N N 15 117.981 0.20 . 1 . . . . 111 GLU N . 18377 1 249 . 1 1 62 62 LYS H H 1 8.340 0.03 . 1 . . . . 112 LYS HN . 18377 1 250 . 1 1 62 62 LYS C C 13 178.666 0.50 . 1 . . . . 112 LYS C . 18377 1 251 . 1 1 62 62 LYS CA C 13 59.684 0.50 . 1 . . . . 112 LYS CA . 18377 1 252 . 1 1 62 62 LYS CB C 13 32.541 0.50 . 1 . . . . 112 LYS CB . 18377 1 253 . 1 1 62 62 LYS N N 15 118.850 0.20 . 1 . . . . 112 LYS N . 18377 1 254 . 1 1 63 63 LYS H H 1 7.879 0.03 . 1 . . . . 113 LYS HN . 18377 1 255 . 1 1 63 63 LYS C C 13 179.033 0.50 . 1 . . . . 113 LYS C . 18377 1 256 . 1 1 63 63 LYS CA C 13 59.447 0.50 . 1 . . . . 113 LYS CA . 18377 1 257 . 1 1 63 63 LYS CB C 13 32.225 0.50 . 1 . . . . 113 LYS CB . 18377 1 258 . 1 1 63 63 LYS N N 15 118.999 0.20 . 1 . . . . 113 LYS N . 18377 1 259 . 1 1 64 64 ILE H H 1 7.752 0.03 . 1 . . . . 114 ILE HN . 18377 1 260 . 1 1 64 64 ILE C C 13 176.504 0.50 . 1 . . . . 114 ILE C . 18377 1 261 . 1 1 64 64 ILE CA C 13 60.473 0.50 . 1 . . . . 114 ILE CA . 18377 1 262 . 1 1 64 64 ILE CB C 13 39.721 0.50 . 1 . . . . 114 ILE CB . 18377 1 263 . 1 1 64 64 ILE N N 15 118.800 0.20 . 1 . . . . 114 ILE N . 18377 1 264 . 1 1 65 65 LYS H H 1 7.955 0.03 . 1 . . . . 115 LYS HN . 18377 1 265 . 1 1 65 65 LYS C C 13 180.379 0.50 . 1 . . . . 115 LYS C . 18377 1 266 . 1 1 65 65 LYS CA C 13 58.500 0.50 . 1 . . . . 115 LYS CA . 18377 1 267 . 1 1 65 65 LYS CB C 13 32.777 0.50 . 1 . . . . 115 LYS CB . 18377 1 268 . 1 1 65 65 LYS N N 15 124.541 0.20 . 1 . . . . 115 LYS N . 18377 1 269 . 1 1 66 66 GLU H H 1 8.098 0.03 . 1 . . . . 116 GLU HN . 18377 1 270 . 1 1 66 66 GLU C C 13 178.074 0.50 . 1 . . . . 116 GLU C . 18377 1 271 . 1 1 66 66 GLU CA C 13 58.974 0.50 . 1 . . . . 116 GLU CA . 18377 1 272 . 1 1 66 66 GLU CB C 13 29.463 0.50 . 1 . . . . 116 GLU CB . 18377 1 273 . 1 1 66 66 GLU N N 15 119.598 0.20 . 1 . . . . 116 GLU N . 18377 1 274 . 1 1 67 67 LEU H H 1 7.143 0.03 . 1 . . . . 117 LEU HN . 18377 1 275 . 1 1 67 67 LEU C C 13 178.829 0.50 . 1 . . . . 117 LEU C . 18377 1 276 . 1 1 67 67 LEU CA C 13 57.317 0.50 . 1 . . . . 117 LEU CA . 18377 1 277 . 1 1 67 67 LEU CB C 13 42.798 0.50 . 1 . . . . 117 LEU CB . 18377 1 278 . 1 1 67 67 LEU N N 15 117.207 0.20 . 1 . . . . 117 LEU N . 18377 1 279 . 1 1 68 68 TYR H H 1 8.000 0.03 . 1 . . . . 118 TYR HN . 18377 1 280 . 1 1 68 68 TYR C C 13 175.667 0.50 . 1 . . . . 118 TYR C . 18377 1 281 . 1 1 68 68 TYR CA C 13 58.264 0.50 . 1 . . . . 118 TYR CA . 18377 1 282 . 1 1 68 68 TYR CB C 13 41.299 0.50 . 1 . . . . 118 TYR CB . 18377 1 283 . 1 1 68 68 TYR N N 15 114.755 0.20 . 1 . . . . 118 TYR N . 18377 1 284 . 1 1 69 69 GLY H H 1 8.473 0.03 . 1 . . . . 119 GLY HN . 18377 1 285 . 1 1 69 69 GLY C C 13 171.323 0.50 . 1 . . . . 119 GLY C . 18377 1 286 . 1 1 69 69 GLY CA C 13 44.534 0.50 . 1 . . . . 119 GLY CA . 18377 1 287 . 1 1 69 69 GLY N N 15 110.874 0.20 . 1 . . . . 119 GLY N . 18377 1 288 . 1 1 70 70 ASP H H 1 7.716 0.03 . 1 . . . . 120 ASP HN . 18377 1 289 . 1 1 70 70 ASP C C 13 175.933 0.50 . 1 . . . . 120 ASP C . 18377 1 290 . 1 1 70 70 ASP CA C 13 55.660 0.50 . 1 . . . . 120 ASP CA . 18377 1 291 . 1 1 70 70 ASP CB C 13 42.246 0.50 . 1 . . . . 120 ASP CB . 18377 1 292 . 1 1 70 70 ASP N N 15 113.051 0.20 . 1 . . . . 120 ASP N . 18377 1 293 . 1 1 71 71 ASN H H 1 7.859 0.03 . 1 . . . . 121 ASN HN . 18377 1 294 . 1 1 71 71 ASN C C 13 173.301 0.50 . 1 . . . . 121 ASN C . 18377 1 295 . 1 1 71 71 ASN CA C 13 52.109 0.50 . 1 . . . . 121 ASN CA . 18377 1 296 . 1 1 71 71 ASN CB C 13 42.325 0.50 . 1 . . . . 121 ASN CB . 18377 1 297 . 1 1 71 71 ASN N N 15 115.807 0.20 . 1 . . . . 121 ASN N . 18377 1 298 . 1 1 72 72 LEU H H 1 9.512 0.03 . 1 . . . . 122 LEU HN . 18377 1 299 . 1 1 72 72 LEU C C 13 178.115 0.50 . 1 . . . . 122 LEU C . 18377 1 300 . 1 1 72 72 LEU CA C 13 53.845 0.50 . 1 . . . . 122 LEU CA . 18377 1 301 . 1 1 72 72 LEU CB C 13 44.061 0.50 . 1 . . . . 122 LEU CB . 18377 1 302 . 1 1 72 72 LEU N N 15 121.956 0.20 . 1 . . . . 122 LEU N . 18377 1 303 . 1 1 73 73 THR H H 1 8.348 0.03 . 1 . . . . 123 THR HN . 18377 1 304 . 1 1 73 73 THR C C 13 174.566 0.50 . 1 . . . . 123 THR C . 18377 1 305 . 1 1 73 73 THR CA C 13 61.341 0.50 . 1 . . . . 123 THR CA . 18377 1 306 . 1 1 73 73 THR CB C 13 71.046 0.50 . 1 . . . . 123 THR CB . 18377 1 307 . 1 1 73 73 THR N N 15 112.091 0.20 . 1 . . . . 123 THR N . 18377 1 308 . 1 1 74 74 TYR H H 1 9.290 0.03 . 1 . . . . 124 TYR HN . 18377 1 309 . 1 1 74 74 TYR C C 13 176.810 0.50 . 1 . . . . 124 TYR C . 18377 1 310 . 1 1 74 74 TYR CA C 13 62.840 0.50 . 1 . . . . 124 TYR CA . 18377 1 311 . 1 1 74 74 TYR CB C 13 37.591 0.50 . 1 . . . . 124 TYR CB . 18377 1 312 . 1 1 74 74 TYR N N 15 121.096 0.20 . 1 . . . . 124 TYR N . 18377 1 313 . 1 1 75 75 GLU H H 1 8.756 0.03 . 1 . . . . 125 GLU HN . 18377 1 314 . 1 1 75 75 GLU C C 13 179.645 0.50 . 1 . . . . 125 GLU C . 18377 1 315 . 1 1 75 75 GLU CA C 13 61.025 0.50 . 1 . . . . 125 GLU CA . 18377 1 316 . 1 1 75 75 GLU CB C 13 28.753 0.50 . 1 . . . . 125 GLU CB . 18377 1 317 . 1 1 75 75 GLU N N 15 115.858 0.20 . 1 . . . . 125 GLU N . 18377 1 318 . 1 1 76 76 GLN H H 1 7.214 0.03 . 1 . . . . 126 GLN HN . 18377 1 319 . 1 1 76 76 GLN C C 13 177.523 0.50 . 1 . . . . 126 GLN C . 18377 1 320 . 1 1 76 76 GLN CA C 13 57.869 0.50 . 1 . . . . 126 GLN CA . 18377 1 321 . 1 1 76 76 GLN CB C 13 28.043 0.50 . 1 . . . . 126 GLN CB . 18377 1 322 . 1 1 76 76 GLN N N 15 120.790 0.20 . 1 . . . . 126 GLN N . 18377 1 323 . 1 1 77 77 TYR H H 1 8.755 0.03 . 1 . . . . 127 TYR HN . 18377 1 324 . 1 1 77 77 TYR C C 13 176.136 0.50 . 1 . . . . 127 TYR C . 18377 1 325 . 1 1 77 77 TYR CA C 13 59.999 0.50 . 1 . . . . 127 TYR CA . 18377 1 326 . 1 1 77 77 TYR CB C 13 37.275 0.50 . 1 . . . . 127 TYR CB . 18377 1 327 . 1 1 77 77 TYR N N 15 123.764 0.20 . 1 . . . . 127 TYR N . 18377 1 328 . 1 1 78 78 LEU H H 1 8.207 0.03 . 1 . . . . 128 LEU HN . 18377 1 329 . 1 1 78 78 LEU C C 13 180.542 0.50 . 1 . . . . 128 LEU C . 18377 1 330 . 1 1 78 78 LEU CA C 13 57.790 0.50 . 1 . . . . 128 LEU CA . 18377 1 331 . 1 1 78 78 LEU CB C 13 40.983 0.50 . 1 . . . . 128 LEU CB . 18377 1 332 . 1 1 78 78 LEU N N 15 120.172 0.20 . 1 . . . . 128 LEU N . 18377 1 333 . 1 1 79 79 GLU H H 1 7.530 0.03 . 1 . . . . 129 GLU HN . 18377 1 334 . 1 1 79 79 GLU C C 13 179.563 0.50 . 1 . . . . 129 GLU C . 18377 1 335 . 1 1 79 79 GLU CA C 13 59.605 0.50 . 1 . . . . 129 GLU CA . 18377 1 336 . 1 1 79 79 GLU CB C 13 29.227 0.50 . 1 . . . . 129 GLU CB . 18377 1 337 . 1 1 79 79 GLU N N 15 120.423 0.20 . 1 . . . . 129 GLU N . 18377 1 338 . 1 1 80 80 TYR H H 1 8.672 0.03 . 1 . . . . 130 TYR HN . 18377 1 339 . 1 1 80 80 TYR C C 13 177.177 0.50 . 1 . . . . 130 TYR C . 18377 1 340 . 1 1 80 80 TYR CA C 13 59.763 0.50 . 1 . . . . 130 TYR CA . 18377 1 341 . 1 1 80 80 TYR CB C 13 37.433 0.50 . 1 . . . . 130 TYR CB . 18377 1 342 . 1 1 80 80 TYR N N 15 121.579 0.20 . 1 . . . . 130 TYR N . 18377 1 343 . 1 1 81 81 LEU H H 1 8.281 0.03 . 1 . . . . 131 LEU HN . 18377 1 344 . 1 1 81 81 LEU C C 13 178.972 0.50 . 1 . . . . 131 LEU C . 18377 1 345 . 1 1 81 81 LEU CA C 13 58.185 0.50 . 1 . . . . 131 LEU CA . 18377 1 346 . 1 1 81 81 LEU CB C 13 40.273 0.50 . 1 . . . . 131 LEU CB . 18377 1 347 . 1 1 81 81 LEU N N 15 118.077 0.20 . 1 . . . . 131 LEU N . 18377 1 348 . 1 1 82 82 SER H H 1 7.492 0.03 . 1 . . . . 132 SER HN . 18377 1 349 . 1 1 82 82 SER CA C 13 61.578 0.50 . 1 . . . . 132 SER CA . 18377 1 350 . 1 1 82 82 SER CB C 13 63.313 0.50 . 1 . . . . 132 SER CB . 18377 1 351 . 1 1 82 82 SER N N 15 112.097 0.20 . 1 . . . . 132 SER N . 18377 1 352 . 1 1 83 83 ILE H H 1 7.785 0.03 . 1 . . . . 133 ILE HN . 18377 1 353 . 1 1 83 83 ILE C C 13 176.646 0.50 . 1 . . . . 133 ILE C . 18377 1 354 . 1 1 83 83 ILE CA C 13 64.339 0.50 . 1 . . . . 133 ILE CA . 18377 1 355 . 1 1 83 83 ILE CB C 13 38.222 0.50 . 1 . . . . 133 ILE CB . 18377 1 356 . 1 1 83 83 ILE N N 15 121.663 0.20 . 1 . . . . 133 ILE N . 18377 1 357 . 1 1 84 84 CYS H H 1 7.220 0.03 . 1 . . . . 134 CYS HN . 18377 1 358 . 1 1 84 84 CYS C C 13 173.322 0.50 . 1 . . . . 134 CYS C . 18377 1 359 . 1 1 84 84 CYS CA C 13 61.420 0.50 . 1 . . . . 134 CYS CA . 18377 1 360 . 1 1 84 84 CYS CB C 13 27.570 0.50 . 1 . . . . 134 CYS CB . 18377 1 361 . 1 1 84 84 CYS N N 15 115.586 0.20 . 1 . . . . 134 CYS N . 18377 1 362 . 1 1 85 85 VAL H H 1 6.816 0.03 . 1 . . . . 135 VAL HN . 18377 1 363 . 1 1 85 85 VAL C C 13 175.423 0.50 . 1 . . . . 135 VAL C . 18377 1 364 . 1 1 85 85 VAL CA C 13 65.286 0.50 . 1 . . . . 135 VAL CA . 18377 1 365 . 1 1 85 85 VAL CB C 13 31.909 0.50 . 1 . . . . 135 VAL CB . 18377 1 366 . 1 1 85 85 VAL N N 15 119.859 0.20 . 1 . . . . 135 VAL N . 18377 1 367 . 1 1 86 86 HIS H H 1 8.292 0.03 . 1 . . . . 136 HIS HN . 18377 1 368 . 1 1 86 86 HIS C C 13 175.239 0.50 . 1 . . . . 136 HIS C . 18377 1 369 . 1 1 86 86 HIS CA C 13 55.975 0.50 . 1 . . . . 136 HIS CA . 18377 1 370 . 1 1 86 86 HIS CB C 13 28.122 0.50 . 1 . . . . 136 HIS CB . 18377 1 371 . 1 1 86 86 HIS N N 15 120.752 0.20 . 1 . . . . 136 HIS N . 18377 1 372 . 1 1 87 87 ASP H H 1 8.401 0.03 . 1 . . . . 137 ASP HN . 18377 1 373 . 1 1 87 87 ASP C C 13 176.871 0.50 . 1 . . . . 137 ASP C . 18377 1 374 . 1 1 87 87 ASP CA C 13 55.818 0.50 . 1 . . . . 137 ASP CA . 18377 1 375 . 1 1 87 87 ASP CB C 13 40.510 0.50 . 1 . . . . 137 ASP CB . 18377 1 376 . 1 1 87 87 ASP N N 15 118.624 0.20 . 1 . . . . 137 ASP N . 18377 1 377 . 1 1 88 88 LYS H H 1 8.191 0.03 . 1 . . . . 138 LYS HN . 18377 1 378 . 1 1 88 88 LYS C C 13 176.830 0.50 . 1 . . . . 138 LYS C . 18377 1 379 . 1 1 88 88 LYS CA C 13 55.502 0.50 . 1 . . . . 138 LYS CA . 18377 1 380 . 1 1 88 88 LYS CB C 13 31.515 0.50 . 1 . . . . 138 LYS CB . 18377 1 381 . 1 1 88 88 LYS N N 15 117.617 0.20 . 1 . . . . 138 LYS N . 18377 1 382 . 1 1 89 89 ASP H H 1 7.738 0.03 . 1 . . . . 139 ASP HN . 18377 1 383 . 1 1 89 89 ASP C C 13 174.790 0.50 . 1 . . . . 139 ASP C . 18377 1 384 . 1 1 89 89 ASP CA C 13 55.660 0.50 . 1 . . . . 139 ASP CA . 18377 1 385 . 1 1 89 89 ASP CB C 13 40.431 0.50 . 1 . . . . 139 ASP CB . 18377 1 386 . 1 1 89 89 ASP N N 15 121.110 0.20 . 1 . . . . 139 ASP N . 18377 1 387 . 1 1 90 90 ASN H H 1 7.571 0.03 . 1 . . . . 140 ASN HN . 18377 1 388 . 1 1 90 90 ASN C C 13 174.831 0.50 . 1 . . . . 140 ASN C . 18377 1 389 . 1 1 90 90 ASN CA C 13 52.030 0.50 . 1 . . . . 140 ASN CA . 18377 1 390 . 1 1 90 90 ASN CB C 13 40.352 0.50 . 1 . . . . 140 ASN CB . 18377 1 391 . 1 1 90 90 ASN N N 15 117.741 0.20 . 1 . . . . 140 ASN N . 18377 1 392 . 1 1 91 91 VAL H H 1 8.859 0.03 . 1 . . . . 141 VAL HN . 18377 1 393 . 1 1 91 91 VAL C C 13 175.504 0.50 . 1 . . . . 141 VAL C . 18377 1 394 . 1 1 91 91 VAL CA C 13 67.732 0.50 . 1 . . . . 141 VAL CA . 18377 1 395 . 1 1 91 91 VAL CB C 13 31.988 0.50 . 1 . . . . 141 VAL CB . 18377 1 396 . 1 1 91 91 VAL N N 15 122.131 0.20 . 1 . . . . 141 VAL N . 18377 1 397 . 1 1 92 92 GLU H H 1 8.215 0.03 . 1 . . . . 142 GLU HN . 18377 1 398 . 1 1 92 92 GLU C C 13 178.278 0.50 . 1 . . . . 142 GLU C . 18377 1 399 . 1 1 92 92 GLU CA C 13 59.921 0.50 . 1 . . . . 142 GLU CA . 18377 1 400 . 1 1 92 92 GLU CB C 13 28.990 0.50 . 1 . . . . 142 GLU CB . 18377 1 401 . 1 1 92 92 GLU N N 15 118.283 0.20 . 1 . . . . 142 GLU N . 18377 1 402 . 1 1 93 93 GLU H H 1 7.872 0.03 . 1 . . . . 143 GLU HN . 18377 1 403 . 1 1 93 93 GLU C C 13 178.584 0.50 . 1 . . . . 143 GLU C . 18377 1 404 . 1 1 93 93 GLU CA C 13 58.027 0.50 . 1 . . . . 143 GLU CA . 18377 1 405 . 1 1 93 93 GLU CB C 13 30.489 0.50 . 1 . . . . 143 GLU CB . 18377 1 406 . 1 1 93 93 GLU N N 15 116.303 0.20 . 1 . . . . 143 GLU N . 18377 1 407 . 1 1 94 94 LEU H H 1 7.846 0.03 . 1 . . . . 144 LEU HN . 18377 1 408 . 1 1 94 94 LEU C C 13 177.931 0.50 . 1 . . . . 144 LEU C . 18377 1 409 . 1 1 94 94 LEU CA C 13 59.447 0.50 . 1 . . . . 144 LEU CA . 18377 1 410 . 1 1 94 94 LEU CB C 13 41.299 0.50 . 1 . . . . 144 LEU CB . 18377 1 411 . 1 1 94 94 LEU N N 15 119.690 0.20 . 1 . . . . 144 LEU N . 18377 1 412 . 1 1 95 95 ILE H H 1 7.952 0.03 . 1 . . . . 145 ILE HN . 18377 1 413 . 1 1 95 95 ILE C C 13 177.911 0.50 . 1 . . . . 145 ILE C . 18377 1 414 . 1 1 95 95 ILE CA C 13 64.418 0.50 . 1 . . . . 145 ILE CA . 18377 1 415 . 1 1 95 95 ILE CB C 13 39.721 0.50 . 1 . . . . 145 ILE CB . 18377 1 416 . 1 1 95 95 ILE N N 15 109.441 0.20 . 1 . . . . 145 ILE N . 18377 1 417 . 1 1 96 96 LYS H H 1 7.244 0.03 . 1 . . . . 146 LYS HN . 18377 1 418 . 1 1 96 96 LYS C C 13 178.849 0.50 . 1 . . . . 146 LYS C . 18377 1 419 . 1 1 96 96 LYS CA C 13 61.104 0.50 . 1 . . . . 146 LYS CA . 18377 1 420 . 1 1 96 96 LYS CB C 13 32.856 0.50 . 1 . . . . 146 LYS CB . 18377 1 421 . 1 1 96 96 LYS N N 15 118.323 0.20 . 1 . . . . 146 LYS N . 18377 1 422 . 1 1 97 97 MET H H 1 8.381 0.03 . 1 . . . . 147 MET HN . 18377 1 423 . 1 1 97 97 MET C C 13 177.177 0.50 . 1 . . . . 147 MET C . 18377 1 424 . 1 1 97 97 MET CA C 13 58.264 0.50 . 1 . . . . 147 MET CA . 18377 1 425 . 1 1 97 97 MET CB C 13 30.884 0.50 . 1 . . . . 147 MET CB . 18377 1 426 . 1 1 97 97 MET N N 15 117.692 0.20 . 1 . . . . 147 MET N . 18377 1 427 . 1 1 98 98 PHE H H 1 6.858 0.03 . 1 . . . . 148 PHE HN . 18377 1 428 . 1 1 98 98 PHE C C 13 177.136 0.50 . 1 . . . . 148 PHE C . 18377 1 429 . 1 1 98 98 PHE CA C 13 60.473 0.50 . 1 . . . . 148 PHE CA . 18377 1 430 . 1 1 98 98 PHE CB C 13 38.222 0.50 . 1 . . . . 148 PHE CB . 18377 1 431 . 1 1 98 98 PHE N N 15 116.115 0.20 . 1 . . . . 148 PHE N . 18377 1 432 . 1 1 99 99 ALA H H 1 8.523 0.03 . 1 . . . . 149 ALA HN . 18377 1 433 . 1 1 99 99 ALA C C 13 180.094 0.50 . 1 . . . . 149 ALA C . 18377 1 434 . 1 1 99 99 ALA CA C 13 54.713 0.50 . 1 . . . . 149 ALA CA . 18377 1 435 . 1 1 99 99 ALA CB C 13 18.101 0.50 . 1 . . . . 149 ALA CB . 18377 1 436 . 1 1 99 99 ALA N N 15 119.928 0.20 . 1 . . . . 149 ALA N . 18377 1 437 . 1 1 100 100 HIS H H 1 7.340 0.03 . 1 . . . . 150 HIS HN . 18377 1 438 . 1 1 100 100 HIS C C 13 175.892 0.50 . 1 . . . . 150 HIS C . 18377 1 439 . 1 1 100 100 HIS CA C 13 59.368 0.50 . 1 . . . . 150 HIS CA . 18377 1 440 . 1 1 100 100 HIS CB C 13 29.779 0.50 . 1 . . . . 150 HIS CB . 18377 1 441 . 1 1 100 100 HIS N N 15 116.312 0.20 . 1 . . . . 150 HIS N . 18377 1 442 . 1 1 101 101 PHE H H 1 7.367 0.03 . 1 . . . . 151 PHE HN . 18377 1 443 . 1 1 101 101 PHE C C 13 174.790 0.50 . 1 . . . . 151 PHE C . 18377 1 444 . 1 1 101 101 PHE CA C 13 59.526 0.50 . 1 . . . . 151 PHE CA . 18377 1 445 . 1 1 101 101 PHE CB C 13 39.879 0.50 . 1 . . . . 151 PHE CB . 18377 1 446 . 1 1 101 101 PHE N N 15 114.130 0.20 . 1 . . . . 151 PHE N . 18377 1 447 . 1 1 102 102 ASP H H 1 7.561 0.03 . 1 . . . . 152 ASP HN . 18377 1 448 . 1 1 102 102 ASP C C 13 176.218 0.50 . 1 . . . . 152 ASP C . 18377 1 449 . 1 1 102 102 ASP CA C 13 51.872 0.50 . 1 . . . . 152 ASP CA . 18377 1 450 . 1 1 102 102 ASP CB C 13 38.143 0.50 . 1 . . . . 152 ASP CB . 18377 1 451 . 1 1 102 102 ASP N N 15 121.732 0.20 . 1 . . . . 152 ASP N . 18377 1 452 . 1 1 103 103 ASN H H 1 8.235 0.03 . 1 . . . . 153 ASN HN . 18377 1 453 . 1 1 103 103 ASN C C 13 175.912 0.50 . 1 . . . . 153 ASN C . 18377 1 454 . 1 1 103 103 ASN CA C 13 56.370 0.50 . 1 . . . . 153 ASN CA . 18377 1 455 . 1 1 103 103 ASN CB C 13 37.985 0.50 . 1 . . . . 153 ASN CB . 18377 1 456 . 1 1 103 103 ASN N N 15 121.220 0.20 . 1 . . . . 153 ASN N . 18377 1 457 . 1 1 104 104 ASN H H 1 8.929 0.03 . 1 . . . . 154 ASN HN . 18377 1 458 . 1 1 104 104 ASN C C 13 173.791 0.50 . 1 . . . . 154 ASN C . 18377 1 459 . 1 1 104 104 ASN CA C 13 53.214 0.50 . 1 . . . . 154 ASN CA . 18377 1 460 . 1 1 104 104 ASN CB C 13 38.301 0.50 . 1 . . . . 154 ASN CB . 18377 1 461 . 1 1 104 104 ASN N N 15 115.288 0.20 . 1 . . . . 154 ASN N . 18377 1 462 . 1 1 105 105 CYS H H 1 8.293 0.03 . 1 . . . . 155 CYS HN . 18377 1 463 . 1 1 105 105 CYS C C 13 174.974 0.50 . 1 . . . . 155 CYS C . 18377 1 464 . 1 1 105 105 CYS CA C 13 60.315 0.50 . 1 . . . . 155 CYS CA . 18377 1 465 . 1 1 105 105 CYS CB C 13 25.124 0.50 . 1 . . . . 155 CYS CB . 18377 1 466 . 1 1 105 105 CYS N N 15 117.617 0.20 . 1 . . . . 155 CYS N . 18377 1 467 . 1 1 106 106 THR H H 1 9.614 0.03 . 1 . . . . 156 THR HN . 18377 1 468 . 1 1 106 106 THR C C 13 177.014 0.50 . 1 . . . . 156 THR C . 18377 1 469 . 1 1 106 106 THR CA C 13 63.471 0.50 . 1 . . . . 156 THR CA . 18377 1 470 . 1 1 106 106 THR CB C 13 70.809 0.50 . 1 . . . . 156 THR CB . 18377 1 471 . 1 1 106 106 THR N N 15 112.661 0.20 . 1 . . . . 156 THR N . 18377 1 472 . 1 1 107 107 GLY H H 1 10.347 0.03 . 1 . . . . 157 GLY HN . 18377 1 473 . 1 1 107 107 GLY C C 13 172.200 0.50 . 1 . . . . 157 GLY C . 18377 1 474 . 1 1 107 107 GLY CA C 13 44.850 0.50 . 1 . . . . 157 GLY CA . 18377 1 475 . 1 1 107 107 GLY N N 15 112.588 0.20 . 1 . . . . 157 GLY N . 18377 1 476 . 1 1 108 108 TYR H H 1 8.180 0.03 . 1 . . . . 158 TYR HN . 18377 1 477 . 1 1 108 108 TYR C C 13 174.770 0.50 . 1 . . . . 158 TYR C . 18377 1 478 . 1 1 108 108 TYR CA C 13 56.212 0.50 . 1 . . . . 158 TYR CA . 18377 1 479 . 1 1 108 108 TYR CB C 13 42.640 0.50 . 1 . . . . 158 TYR CB . 18377 1 480 . 1 1 108 108 TYR N N 15 117.935 0.20 . 1 . . . . 158 TYR N . 18377 1 481 . 1 1 109 109 LEU H H 1 8.609 0.03 . 1 . . . . 159 LEU HN . 18377 1 482 . 1 1 109 109 LEU C C 13 176.279 0.50 . 1 . . . . 159 LEU C . 18377 1 483 . 1 1 109 109 LEU CA C 13 53.529 0.50 . 1 . . . . 159 LEU CA . 18377 1 484 . 1 1 109 109 LEU CB C 13 47.848 0.50 . 1 . . . . 159 LEU CB . 18377 1 485 . 1 1 109 109 LEU N N 15 118.189 0.20 . 1 . . . . 159 LEU N . 18377 1 486 . 1 1 110 110 THR H H 1 8.949 0.03 . 1 . . . . 160 THR HN . 18377 1 487 . 1 1 110 110 THR C C 13 176.810 0.50 . 1 . . . . 160 THR C . 18377 1 488 . 1 1 110 110 THR CA C 13 61.341 0.50 . 1 . . . . 160 THR CA . 18377 1 489 . 1 1 110 110 THR CB C 13 70.967 0.50 . 1 . . . . 160 THR CB . 18377 1 490 . 1 1 110 110 THR N N 15 111.018 0.20 . 1 . . . . 160 THR N . 18377 1 491 . 1 1 111 111 LYS H H 1 8.861 0.03 . 1 . . . . 161 LYS HN . 18377 1 492 . 1 1 111 111 LYS C C 13 178.503 0.50 . 1 . . . . 161 LYS C . 18377 1 493 . 1 1 111 111 LYS CA C 13 61.578 0.50 . 1 . . . . 161 LYS CA . 18377 1 494 . 1 1 111 111 LYS CB C 13 32.777 0.50 . 1 . . . . 161 LYS CB . 18377 1 495 . 1 1 111 111 LYS N N 15 121.497 0.20 . 1 . . . . 161 LYS N . 18377 1 496 . 1 1 112 112 SER H H 1 8.665 0.03 . 1 . . . . 162 SER HN . 18377 1 497 . 1 1 112 112 SER C C 13 176.993 0.50 . 1 . . . . 162 SER C . 18377 1 498 . 1 1 112 112 SER CA C 13 62.288 0.50 . 1 . . . . 162 SER CA . 18377 1 499 . 1 1 112 112 SER CB C 13 62.367 0.50 . 1 . . . . 162 SER CB . 18377 1 500 . 1 1 112 112 SER N N 15 113.010 0.20 . 1 . . . . 162 SER N . 18377 1 501 . 1 1 113 113 GLN H H 1 7.977 0.03 . 1 . . . . 163 GLN HN . 18377 1 502 . 1 1 113 113 GLN C C 13 179.094 0.50 . 1 . . . . 163 GLN C . 18377 1 503 . 1 1 113 113 GLN CA C 13 59.447 0.50 . 1 . . . . 163 GLN CA . 18377 1 504 . 1 1 113 113 GLN CB C 13 29.858 0.50 . 1 . . . . 163 GLN CB . 18377 1 505 . 1 1 113 113 GLN N N 15 122.360 0.20 . 1 . . . . 163 GLN N . 18377 1 506 . 1 1 114 114 MET H H 1 8.597 0.03 . 1 . . . . 164 MET HN . 18377 1 507 . 1 1 114 114 MET C C 13 177.646 0.50 . 1 . . . . 164 MET C . 18377 1 508 . 1 1 114 114 MET CA C 13 59.605 0.50 . 1 . . . . 164 MET CA . 18377 1 509 . 1 1 114 114 MET CB C 13 32.383 0.50 . 1 . . . . 164 MET CB . 18377 1 510 . 1 1 114 114 MET N N 15 117.240 0.20 . 1 . . . . 164 MET N . 18377 1 511 . 1 1 115 115 LYS H H 1 8.840 0.03 . 1 . . . . 165 LYS HN . 18377 1 512 . 1 1 115 115 LYS C C 13 178.441 0.50 . 1 . . . . 165 LYS C . 18377 1 513 . 1 1 115 115 LYS CA C 13 60.867 0.50 . 1 . . . . 165 LYS CA . 18377 1 514 . 1 1 115 115 LYS CB C 13 31.752 0.50 . 1 . . . . 165 LYS CB . 18377 1 515 . 1 1 115 115 LYS N N 15 119.936 0.20 . 1 . . . . 165 LYS N . 18377 1 516 . 1 1 116 116 ASN H H 1 8.092 0.03 . 1 . . . . 166 ASN HN . 18377 1 517 . 1 1 116 116 ASN C C 13 177.299 0.50 . 1 . . . . 166 ASN C . 18377 1 518 . 1 1 116 116 ASN CA C 13 57.159 0.50 . 1 . . . . 166 ASN CA . 18377 1 519 . 1 1 116 116 ASN CB C 13 38.380 0.50 . 1 . . . . 166 ASN CB . 18377 1 520 . 1 1 116 116 ASN N N 15 119.160 0.20 . 1 . . . . 166 ASN N . 18377 1 521 . 1 1 117 117 ILE H H 1 8.010 0.03 . 1 . . . . 167 ILE HN . 18377 1 522 . 1 1 117 117 ILE C C 13 176.585 0.50 . 1 . . . . 167 ILE C . 18377 1 523 . 1 1 117 117 ILE CA C 13 65.996 0.50 . 1 . . . . 167 ILE CA . 18377 1 524 . 1 1 117 117 ILE CB C 13 39.642 0.50 . 1 . . . . 167 ILE CB . 18377 1 525 . 1 1 117 117 ILE N N 15 121.111 0.20 . 1 . . . . 167 ILE N . 18377 1 526 . 1 1 118 118 LEU H H 1 8.004 0.03 . 1 . . . . 168 LEU HN . 18377 1 527 . 1 1 118 118 LEU C C 13 178.421 0.50 . 1 . . . . 168 LEU C . 18377 1 528 . 1 1 118 118 LEU CA C 13 57.632 0.50 . 1 . . . . 168 LEU CA . 18377 1 529 . 1 1 118 118 LEU CB C 13 43.666 0.50 . 1 . . . . 168 LEU CB . 18377 1 530 . 1 1 118 118 LEU N N 15 112.694 0.20 . 1 . . . . 168 LEU N . 18377 1 531 . 1 1 119 119 THR H H 1 7.785 0.03 . 1 . . . . 169 THR HN . 18377 1 532 . 1 1 119 119 THR C C 13 175.015 0.50 . 1 . . . . 169 THR C . 18377 1 533 . 1 1 119 119 THR CA C 13 61.893 0.50 . 1 . . . . 169 THR CA . 18377 1 534 . 1 1 119 119 THR CB C 13 71.441 0.50 . 1 . . . . 169 THR CB . 18377 1 535 . 1 1 119 119 THR N N 15 104.770 0.20 . 1 . . . . 169 THR N . 18377 1 536 . 1 1 120 120 THR H H 1 7.131 0.03 . 1 . . . . 170 THR HN . 18377 1 537 . 1 1 120 120 THR C C 13 173.240 0.50 . 1 . . . . 170 THR C . 18377 1 538 . 1 1 120 120 THR CA C 13 64.892 0.50 . 1 . . . . 170 THR CA . 18377 1 539 . 1 1 120 120 THR CB C 13 69.626 0.50 . 1 . . . . 170 THR CB . 18377 1 540 . 1 1 120 120 THR N N 15 115.830 0.20 . 1 . . . . 170 THR N . 18377 1 541 . 1 1 121 121 TRP H H 1 6.867 0.03 . 1 . . . . 171 TRP HN . 18377 1 542 . 1 1 121 121 TRP C C 13 173.240 0.50 . 1 . . . . 171 TRP C . 18377 1 543 . 1 1 121 121 TRP CA C 13 57.238 0.50 . 1 . . . . 171 TRP CA . 18377 1 544 . 1 1 121 121 TRP CB C 13 32.856 0.50 . 1 . . . . 171 TRP CB . 18377 1 545 . 1 1 121 121 TRP N N 15 118.075 0.20 . 1 . . . . 171 TRP N . 18377 1 546 . 1 1 122 122 GLY H H 1 9.043 0.03 . 1 . . . . 172 GLY HN . 18377 1 547 . 1 1 122 122 GLY C C 13 175.300 0.50 . 1 . . . . 172 GLY C . 18377 1 548 . 1 1 122 122 GLY CA C 13 46.980 0.50 . 1 . . . . 172 GLY CA . 18377 1 549 . 1 1 122 122 GLY N N 15 106.268 0.20 . 1 . . . . 172 GLY N . 18377 1 550 . 1 1 123 123 ASP H H 1 9.103 0.03 . 1 . . . . 173 ASP HN . 18377 1 551 . 1 1 123 123 ASP C C 13 176.229 0.50 . 1 . . . . 173 ASP C . 18377 1 552 . 1 1 123 123 ASP CA C 13 52.267 0.50 . 1 . . . . 173 ASP CA . 18377 1 553 . 1 1 123 123 ASP CB C 13 38.301 0.50 . 1 . . . . 173 ASP CB . 18377 1 554 . 1 1 123 123 ASP N N 15 131.492 0.20 . 1 . . . . 173 ASP N . 18377 1 555 . 1 1 124 124 ALA H H 1 7.066 0.03 . 1 . . . . 174 ALA HN . 18377 1 556 . 1 1 124 124 ALA C C 13 178.625 0.50 . 1 . . . . 174 ALA C . 18377 1 557 . 1 1 124 124 ALA CA C 13 53.845 0.50 . 1 . . . . 174 ALA CA . 18377 1 558 . 1 1 124 124 ALA CB C 13 19.521 0.50 . 1 . . . . 174 ALA CB . 18377 1 559 . 1 1 124 124 ALA N N 15 121.902 0.20 . 1 . . . . 174 ALA N . 18377 1 560 . 1 1 125 125 LEU H H 1 7.961 0.03 . 1 . . . . 175 LEU HN . 18377 1 561 . 1 1 125 125 LEU CA C 13 53.924 0.50 . 1 . . . . 175 LEU CA . 18377 1 562 . 1 1 125 125 LEU CB C 13 42.956 0.50 . 1 . . . . 175 LEU CB . 18377 1 563 . 1 1 125 125 LEU N N 15 123.382 0.20 . 1 . . . . 175 LEU N . 18377 1 564 . 1 1 126 126 THR H H 1 8.939 0.03 . 1 . . . . 176 THR HN . 18377 1 565 . 1 1 126 126 THR C C 13 175.525 0.50 . 1 . . . . 176 THR C . 18377 1 566 . 1 1 126 126 THR CA C 13 61.500 0.50 . 1 . . . . 176 THR CA . 18377 1 567 . 1 1 126 126 THR CB C 13 70.700 0.50 . 1 . . . . 176 THR CB . 18377 1 568 . 1 1 126 126 THR N N 15 110.862 0.20 . 1 . . . . 176 THR N . 18377 1 569 . 1 1 127 127 ASP H H 1 8.661 0.03 . 1 . . . . 177 ASP HN . 18377 1 570 . 1 1 127 127 ASP C C 13 177.523 0.50 . 1 . . . . 177 ASP C . 18377 1 571 . 1 1 127 127 ASP CA C 13 58.895 0.50 . 1 . . . . 177 ASP CA . 18377 1 572 . 1 1 127 127 ASP CB C 13 40.747 0.50 . 1 . . . . 177 ASP CB . 18377 1 573 . 1 1 127 127 ASP N N 15 120.675 0.20 . 1 . . . . 177 ASP N . 18377 1 574 . 1 1 128 128 GLN H H 1 8.306 0.03 . 1 . . . . 178 GLN HN . 18377 1 575 . 1 1 128 128 GLN C C 13 177.462 0.50 . 1 . . . . 178 GLN C . 18377 1 576 . 1 1 128 128 GLN CA C 13 58.816 0.50 . 1 . . . . 178 GLN CA . 18377 1 577 . 1 1 128 128 GLN CB C 13 28.832 0.50 . 1 . . . . 178 GLN CB . 18377 1 578 . 1 1 128 128 GLN N N 15 116.452 0.20 . 1 . . . . 178 GLN N . 18377 1 579 . 1 1 129 129 GLU H H 1 7.749 0.03 . 1 . . . . 179 GLU HN . 18377 1 580 . 1 1 129 129 GLU C C 13 179.686 0.50 . 1 . . . . 179 GLU C . 18377 1 581 . 1 1 129 129 GLU CA C 13 59.210 0.50 . 1 . . . . 179 GLU CA . 18377 1 582 . 1 1 129 129 GLU CB C 13 31.752 0.50 . 1 . . . . 179 GLU CB . 18377 1 583 . 1 1 129 129 GLU N N 15 117.696 0.20 . 1 . . . . 179 GLU N . 18377 1 584 . 1 1 130 130 ALA H H 1 8.262 0.03 . 1 . . . . 180 ALA HN . 18377 1 585 . 1 1 130 130 ALA C C 13 178.299 0.50 . 1 . . . . 180 ALA C . 18377 1 586 . 1 1 130 130 ALA CA C 13 55.581 0.50 . 1 . . . . 180 ALA CA . 18377 1 587 . 1 1 130 130 ALA CB C 13 19.679 0.50 . 1 . . . . 180 ALA CB . 18377 1 588 . 1 1 130 130 ALA N N 15 119.069 0.20 . 1 . . . . 180 ALA N . 18377 1 589 . 1 1 131 131 ILE H H 1 8.473 0.03 . 1 . . . . 181 ILE HN . 18377 1 590 . 1 1 131 131 ILE C C 13 177.891 0.50 . 1 . . . . 181 ILE C . 18377 1 591 . 1 1 131 131 ILE CA C 13 64.339 0.50 . 1 . . . . 181 ILE CA . 18377 1 592 . 1 1 131 131 ILE CB C 13 38.380 0.50 . 1 . . . . 181 ILE CB . 18377 1 593 . 1 1 131 131 ILE N N 15 117.927 0.20 . 1 . . . . 181 ILE N . 18377 1 594 . 1 1 132 132 ASP H H 1 8.683 0.03 . 1 . . . . 182 ASP HN . 18377 1 595 . 1 1 132 132 ASP C C 13 179.788 0.50 . 1 . . . . 182 ASP C . 18377 1 596 . 1 1 132 132 ASP CA C 13 57.553 0.50 . 1 . . . . 182 ASP CA . 18377 1 597 . 1 1 132 132 ASP CB C 13 39.563 0.50 . 1 . . . . 182 ASP CB . 18377 1 598 . 1 1 132 132 ASP N N 15 121.066 0.20 . 1 . . . . 182 ASP N . 18377 1 599 . 1 1 133 133 ALA H H 1 7.988 0.03 . 1 . . . . 183 ALA HN . 18377 1 600 . 1 1 133 133 ALA CA C 13 55.423 0.50 . 1 . . . . 183 ALA CA . 18377 1 601 . 1 1 133 133 ALA CB C 13 18.574 0.50 . 1 . . . . 183 ALA CB . 18377 1 602 . 1 1 133 133 ALA N N 15 122.358 0.20 . 1 . . . . 183 ALA N . 18377 1 603 . 1 1 134 134 LEU H H 1 8.241 0.03 . 1 . . . . 184 LEU HN . 18377 1 604 . 1 1 134 134 LEU C C 13 178.543 0.50 . 1 . . . . 184 LEU C . 18377 1 605 . 1 1 134 134 LEU CA C 13 57.948 0.50 . 1 . . . . 184 LEU CA . 18377 1 606 . 1 1 134 134 LEU CB C 13 41.378 0.50 . 1 . . . . 184 LEU CB . 18377 1 607 . 1 1 134 134 LEU N N 15 118.305 0.20 . 1 . . . . 184 LEU N . 18377 1 608 . 1 1 135 135 ASN H H 1 8.966 0.03 . 1 . . . . 185 ASN HN . 18377 1 609 . 1 1 135 135 ASN C C 13 177.340 0.50 . 1 . . . . 185 ASN C . 18377 1 610 . 1 1 135 135 ASN CA C 13 54.476 0.50 . 1 . . . . 185 ASN CA . 18377 1 611 . 1 1 135 135 ASN CB C 13 37.275 0.50 . 1 . . . . 185 ASN CB . 18377 1 612 . 1 1 135 135 ASN N N 15 117.692 0.20 . 1 . . . . 185 ASN N . 18377 1 613 . 1 1 136 136 ALA H H 1 7.877 0.03 . 1 . . . . 186 ALA HN . 18377 1 614 . 1 1 136 136 ALA C C 13 178.462 0.50 . 1 . . . . 186 ALA C . 18377 1 615 . 1 1 136 136 ALA CA C 13 54.239 0.50 . 1 . . . . 186 ALA CA . 18377 1 616 . 1 1 136 136 ALA CB C 13 18.101 0.50 . 1 . . . . 186 ALA CB . 18377 1 617 . 1 1 136 136 ALA N N 15 120.933 0.20 . 1 . . . . 186 ALA N . 18377 1 618 . 1 1 137 137 PHE H H 1 7.332 0.03 . 1 . . . . 187 PHE HN . 18377 1 619 . 1 1 137 137 PHE C C 13 175.259 0.50 . 1 . . . . 187 PHE C . 18377 1 620 . 1 1 137 137 PHE CA C 13 59.999 0.50 . 1 . . . . 187 PHE CA . 18377 1 621 . 1 1 137 137 PHE CB C 13 40.668 0.50 . 1 . . . . 187 PHE CB . 18377 1 622 . 1 1 137 137 PHE N N 15 116.594 0.20 . 1 . . . . 187 PHE N . 18377 1 623 . 1 1 138 138 SER H H 1 8.201 0.03 . 1 . . . . 188 SER HN . 18377 1 624 . 1 1 138 138 SER C C 13 173.872 0.50 . 1 . . . . 188 SER C . 18377 1 625 . 1 1 138 138 SER CA C 13 57.238 0.50 . 1 . . . . 188 SER CA . 18377 1 626 . 1 1 138 138 SER CB C 13 65.602 0.50 . 1 . . . . 188 SER CB . 18377 1 627 . 1 1 138 138 SER N N 15 110.361 0.20 . 1 . . . . 188 SER N . 18377 1 628 . 1 1 139 139 SER H H 1 8.837 0.03 . 1 . . . . 189 SER HN . 18377 1 629 . 1 1 139 139 SER C C 13 174.545 0.50 . 1 . . . . 189 SER C . 18377 1 630 . 1 1 139 139 SER CA C 13 59.053 0.50 . 1 . . . . 189 SER CA . 18377 1 631 . 1 1 139 139 SER CB C 13 63.550 0.50 . 1 . . . . 189 SER CB . 18377 1 632 . 1 1 139 139 SER N N 15 122.374 0.20 . 1 . . . . 189 SER N . 18377 1 633 . 1 1 140 140 GLU H H 1 8.430 0.03 . 1 . . . . 190 GLU HN . 18377 1 634 . 1 1 140 140 GLU C C 13 175.259 0.50 . 1 . . . . 190 GLU C . 18377 1 635 . 1 1 140 140 GLU CA C 13 55.739 0.50 . 1 . . . . 190 GLU CA . 18377 1 636 . 1 1 140 140 GLU CB C 13 31.041 0.50 . 1 . . . . 190 GLU CB . 18377 1 637 . 1 1 140 140 GLU N N 15 122.993 0.20 . 1 . . . . 190 GLU N . 18377 1 638 . 1 1 141 141 ASP H H 1 8.269 0.03 . 1 . . . . 191 ASP HN . 18377 1 639 . 1 1 141 141 ASP C C 13 175.484 0.50 . 1 . . . . 191 ASP C . 18377 1 640 . 1 1 141 141 ASP CA C 13 56.291 0.50 . 1 . . . . 191 ASP CA . 18377 1 641 . 1 1 141 141 ASP CB C 13 42.719 0.50 . 1 . . . . 191 ASP CB . 18377 1 642 . 1 1 141 141 ASP N N 15 116.359 0.20 . 1 . . . . 191 ASP N . 18377 1 643 . 1 1 142 142 ASN H H 1 7.519 0.03 . 1 . . . . 192 ASN HN . 18377 1 644 . 1 1 142 142 ASN C C 13 173.770 0.50 . 1 . . . . 192 ASN C . 18377 1 645 . 1 1 142 142 ASN CA C 13 52.267 0.50 . 1 . . . . 192 ASN CA . 18377 1 646 . 1 1 142 142 ASN CB C 13 39.248 0.50 . 1 . . . . 192 ASN CB . 18377 1 647 . 1 1 142 142 ASN N N 15 114.752 0.20 . 1 . . . . 192 ASN N . 18377 1 648 . 1 1 143 143 ILE H H 1 9.352 0.03 . 1 . . . . 193 ILE HN . 18377 1 649 . 1 1 143 143 ILE C C 13 174.321 0.50 . 1 . . . . 193 ILE C . 18377 1 650 . 1 1 143 143 ILE CA C 13 58.500 0.50 . 1 . . . . 193 ILE CA . 18377 1 651 . 1 1 143 143 ILE CB C 13 38.380 0.50 . 1 . . . . 193 ILE CB . 18377 1 652 . 1 1 143 143 ILE N N 15 125.106 0.20 . 1 . . . . 193 ILE N . 18377 1 653 . 1 1 144 144 ASP H H 1 8.685 0.03 . 1 . . . . 194 ASP HN . 18377 1 654 . 1 1 144 144 ASP C C 13 175.688 0.50 . 1 . . . . 194 ASP C . 18377 1 655 . 1 1 144 144 ASP CA C 13 52.504 0.50 . 1 . . . . 194 ASP CA . 18377 1 656 . 1 1 144 144 ASP CB C 13 40.273 0.50 . 1 . . . . 194 ASP CB . 18377 1 657 . 1 1 144 144 ASP N N 15 128.072 0.20 . 1 . . . . 194 ASP N . 18377 1 658 . 1 1 145 145 TYR H H 1 6.894 0.03 . 1 . . . . 195 TYR HN . 18377 1 659 . 1 1 145 145 TYR C C 13 176.952 0.50 . 1 . . . . 195 TYR C . 18377 1 660 . 1 1 145 145 TYR CA C 13 59.289 0.50 . 1 . . . . 195 TYR CA . 18377 1 661 . 1 1 145 145 TYR CB C 13 36.880 0.50 . 1 . . . . 195 TYR CB . 18377 1 662 . 1 1 145 145 TYR N N 15 123.738 0.20 . 1 . . . . 195 TYR N . 18377 1 663 . 1 1 146 146 LYS H H 1 8.125 0.03 . 1 . . . . 196 LYS HN . 18377 1 664 . 1 1 146 146 LYS C C 13 178.054 0.50 . 1 . . . . 196 LYS C . 18377 1 665 . 1 1 146 146 LYS CA C 13 60.867 0.50 . 1 . . . . 196 LYS CA . 18377 1 666 . 1 1 146 146 LYS CB C 13 31.515 0.50 . 1 . . . . 196 LYS CB . 18377 1 667 . 1 1 146 146 LYS N N 15 126.633 0.20 . 1 . . . . 196 LYS N . 18377 1 668 . 1 1 147 147 LEU H H 1 7.802 0.03 . 1 . . . . 197 LEU HN . 18377 1 669 . 1 1 147 147 LEU C C 13 179.992 0.50 . 1 . . . . 197 LEU C . 18377 1 670 . 1 1 147 147 LEU CA C 13 57.553 0.50 . 1 . . . . 197 LEU CA . 18377 1 671 . 1 1 147 147 LEU CB C 13 41.378 0.50 . 1 . . . . 197 LEU CB . 18377 1 672 . 1 1 147 147 LEU N N 15 120.555 0.20 . 1 . . . . 197 LEU N . 18377 1 673 . 1 1 148 148 PHE H H 1 8.375 0.03 . 1 . . . . 198 PHE HN . 18377 1 674 . 1 1 148 148 PHE C C 13 176.279 0.50 . 1 . . . . 198 PHE C . 18377 1 675 . 1 1 148 148 PHE CA C 13 61.341 0.50 . 1 . . . . 198 PHE CA . 18377 1 676 . 1 1 148 148 PHE CB C 13 39.090 0.50 . 1 . . . . 198 PHE CB . 18377 1 677 . 1 1 148 148 PHE N N 15 121.179 0.20 . 1 . . . . 198 PHE N . 18377 1 678 . 1 1 149 149 CYS H H 1 7.739 0.03 . 1 . . . . 199 CYS HN . 18377 1 679 . 1 1 149 149 CYS C C 13 174.974 0.50 . 1 . . . . 199 CYS C . 18377 1 680 . 1 1 149 149 CYS CA C 13 64.655 0.50 . 1 . . . . 199 CYS CA . 18377 1 681 . 1 1 149 149 CYS CB C 13 27.412 0.50 . 1 . . . . 199 CYS CB . 18377 1 682 . 1 1 149 149 CYS N N 15 116.217 0.20 . 1 . . . . 199 CYS N . 18377 1 683 . 1 1 150 150 GLU H H 1 8.146 0.03 . 1 . . . . 200 GLU HN . 18377 1 684 . 1 1 150 150 GLU C C 13 178.503 0.50 . 1 . . . . 200 GLU C . 18377 1 685 . 1 1 150 150 GLU CA C 13 59.921 0.50 . 1 . . . . 200 GLU CA . 18377 1 686 . 1 1 150 150 GLU CB C 13 29.858 0.50 . 1 . . . . 200 GLU CB . 18377 1 687 . 1 1 150 150 GLU N N 15 118.461 0.20 . 1 . . . . 200 GLU N . 18377 1 688 . 1 1 151 151 ASP H H 1 7.759 0.03 . 1 . . . . 201 ASP HN . 18377 1 689 . 1 1 151 151 ASP C C 13 179.216 0.50 . 1 . . . . 201 ASP C . 18377 1 690 . 1 1 151 151 ASP CA C 13 57.948 0.50 . 1 . . . . 201 ASP CA . 18377 1 691 . 1 1 151 151 ASP CB C 13 43.272 0.50 . 1 . . . . 201 ASP CB . 18377 1 692 . 1 1 151 151 ASP N N 15 118.120 0.20 . 1 . . . . 201 ASP N . 18377 1 693 . 1 1 152 152 ILE H H 1 7.569 0.03 . 1 . . . . 202 ILE HN . 18377 1 694 . 1 1 152 152 ILE C C 13 175.688 0.50 . 1 . . . . 202 ILE C . 18377 1 695 . 1 1 152 152 ILE CA C 13 63.866 0.50 . 1 . . . . 202 ILE CA . 18377 1 696 . 1 1 152 152 ILE CB C 13 36.801 0.50 . 1 . . . . 202 ILE CB . 18377 1 697 . 1 1 152 152 ILE N N 15 111.804 0.20 . 1 . . . . 202 ILE N . 18377 1 698 . 1 1 153 153 LEU H H 1 6.837 0.03 . 1 . . . . 203 LEU HN . 18377 1 699 . 1 1 153 153 LEU C C 13 176.973 0.50 . 1 . . . . 203 LEU C . 18377 1 700 . 1 1 153 153 LEU CA C 13 55.818 0.50 . 1 . . . . 203 LEU CA . 18377 1 701 . 1 1 153 153 LEU CB C 13 43.035 0.50 . 1 . . . . 203 LEU CB . 18377 1 702 . 1 1 153 153 LEU N N 15 119.463 0.20 . 1 . . . . 203 LEU N . 18377 1 703 . 1 1 154 154 GLN H H 1 7.131 0.03 . 1 . . . . 204 GLN HN . 18377 1 704 . 1 1 154 154 GLN C C 13 181.093 0.50 . 1 . . . . 204 GLN C . 18377 1 705 . 1 1 154 154 GLN CA C 13 57.790 0.50 . 1 . . . . 204 GLN CA . 18377 1 706 . 1 1 154 154 GLN CB C 13 29.779 0.50 . 1 . . . . 204 GLN CB . 18377 1 707 . 1 1 154 154 GLN N N 15 122.859 0.20 . 1 . . . . 204 GLN N . 18377 1 stop_ save_