data_19088 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19088 _Entry.Title ; Backbone chemical shift assignment of Rv2140c, a phosphatidylethanolamine binding protein from Mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-13 _Entry.Accession_date 2013-03-13 _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 . _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 Georg Eulenberg . G. . 19088 2 Victoria Higman . V.A. . 19088 3 Anne Diehl . A. . 19088 4 Matthias Wilmanns . M. . 19088 5 Simon Holton . S.J. . 19088 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19088 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . FMP . 19088 2 . DESY . 19088 3 . Bristol . 19088 4 . Bayer . 19088 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19088 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 19088 '15N chemical shifts' 155 19088 '1H chemical shifts' 155 19088 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 . . 2013-10-29 2013-03-13 update BMRB 'update entry citation' 19088 1 . . 2013-08-14 2013-03-13 original author 'original release' 19088 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4BEF 'Crystal structure of Rv2140c' 19088 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19088 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23907008 _Citation.Full_citation . _Citation.Title 'Structural and biochemical characterization of Rv2140c, a phosphatidylethanolamine-binding protein from Mycobacterium tuberculosis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 587 _Citation.Journal_issue 18 _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 2936 _Citation.Page_last 2942 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Georg Eulenburg . . . 19088 1 2 Victoria Higman . A. . 19088 1 3 Anne Diehl . . . 19088 1 4 Matthias Wilmanns . . . 19088 1 5 Simon Holton . J. . 19088 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19088 _Assembly.ID 1 _Assembly.Name Rv2140c _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _Assembly.Molecular_mass 18603.878 _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 Rv2140c 1 $Rv2140c A . yes native no no . . . 19088 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4BEF . . X-ray 1.7 . . 19088 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rv2140c _Entity.Sf_category entity _Entity.Sf_framecode Rv2140c _Entity.Entry_ID 19088 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rv2140c _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MATSPDPYAALPKLPSFSLT STSITDGQPLATPQVSGIMG AGGADASPQLRWSGFPSETR SFAVTVYDPDAPTLSGFWHW AVANLPANVTELPEGVGDGR ELPGGALTLVNDAGMRRYVG AAPPPGHGVHRYYVAVHAVK VEKLDLPEDASPAYLGFNLF QHAIARAVIFGTYEQR ; _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18603.878 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4BEG . "Structure Of Rv2140c, A Phosphatidyl-ethanolamine Binding Protein From Mycobacterium Tuberculosis In Complex With Sulphate" . . . . . 100.00 178 99.43 99.43 4.61e-122 . . . . 19088 1 2 no DBJ BAH26435 . "hypothetical protein JTY_2151 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 3 no DBJ BAL66151 . "hypothetical protein ERDMAN_2358 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 4 no DBJ BAQ06208 . "hypothetical protein KURONO_2412 [Mycobacterium tuberculosis str. Kurono]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 5 no DBJ GAA45837 . "hypothetical protein NCGM2209_2464 [Mycobacterium tuberculosis NCGM2209]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 6 no EMBL CAL72145 . "Conserved hypothetical protein TB18.6 [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 7 no EMBL CCC27222 . "conserved hypothetical protein TB18.6 [Mycobacterium africanum GM041182]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 8 no EMBL CCC44496 . "conserved hypothetical protein TB18.6 [Mycobacterium canettii CIPT 140010059]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 9 no EMBL CCC64734 . "conserved hypothetical protein TB18.6 [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 10 no EMBL CCE37614 . "TB18.6 [Mycobacterium tuberculosis UT205]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 11 no GB AAK46482 . "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 12 no GB ABQ73916 . "conserved hypothetical protein [Mycobacterium tuberculosis H37Ra]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 13 no GB ABR06501 . "conserved hypothetical protein TB18.6 [Mycobacterium tuberculosis F11]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 14 no GB ACT24902 . "conserved hypothetical protein [Mycobacterium tuberculosis KZN 1435]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 15 no GB AEB03982 . "conserved hypothetical protein [Mycobacterium tuberculosis KZN 4207]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 16 no REF NP_216656 . "hypothetical protein Rv2140c [Mycobacterium tuberculosis H37Rv]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 17 no REF NP_855813 . "hypothetical protein Mb2164c [Mycobacterium bovis AF2122/97]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 18 no REF WP_003411119 . "MULTISPECIES: hypothetical protein [Mycobacterium]" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 19 no REF WP_003903767 . "hypothetical protein [Mycobacterium tuberculosis]" . . . . . 100.00 176 98.86 98.86 4.61e-121 . . . . 19088 1 20 no REF WP_003904790 . "hypothetical protein [Mycobacterium tuberculosis]" . . . . . 100.00 176 98.30 98.86 1.81e-120 . . . . 19088 1 21 no SP P67227 . "RecName: Full=UPF0098 protein Mb2164c" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 22 no SP P9WFN0 . "RecName: Full=UPF0098 protein MT2198" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 1 23 no SP P9WFN1 . "RecName: Full=UPF0098 protein Rv2140c" . . . . . 100.00 176 99.43 99.43 4.59e-122 . . . . 19088 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 . MET . 19088 1 2 . ALA . 19088 1 3 . THR . 19088 1 4 . SER . 19088 1 5 . PRO . 19088 1 6 . ASP . 19088 1 7 . PRO . 19088 1 8 . TYR . 19088 1 9 . ALA . 19088 1 10 . ALA . 19088 1 11 . LEU . 19088 1 12 . PRO . 19088 1 13 . LYS . 19088 1 14 . LEU . 19088 1 15 . PRO . 19088 1 16 . SER . 19088 1 17 . PHE . 19088 1 18 . SER . 19088 1 19 . LEU . 19088 1 20 . THR . 19088 1 21 . SER . 19088 1 22 . THR . 19088 1 23 . SER . 19088 1 24 . ILE . 19088 1 25 . THR . 19088 1 26 . ASP . 19088 1 27 . GLY . 19088 1 28 . GLN . 19088 1 29 . PRO . 19088 1 30 . LEU . 19088 1 31 . ALA . 19088 1 32 . THR . 19088 1 33 . PRO . 19088 1 34 . GLN . 19088 1 35 . VAL . 19088 1 36 . SER . 19088 1 37 . GLY . 19088 1 38 . ILE . 19088 1 39 . MET . 19088 1 40 . GLY . 19088 1 41 . ALA . 19088 1 42 . GLY . 19088 1 43 . GLY . 19088 1 44 . ALA . 19088 1 45 . ASP . 19088 1 46 . ALA . 19088 1 47 . SER . 19088 1 48 . PRO . 19088 1 49 . GLN . 19088 1 50 . LEU . 19088 1 51 . ARG . 19088 1 52 . TRP . 19088 1 53 . SER . 19088 1 54 . GLY . 19088 1 55 . PHE . 19088 1 56 . PRO . 19088 1 57 . SER . 19088 1 58 . GLU . 19088 1 59 . THR . 19088 1 60 . ARG . 19088 1 61 . SER . 19088 1 62 . PHE . 19088 1 63 . ALA . 19088 1 64 . VAL . 19088 1 65 . THR . 19088 1 66 . VAL . 19088 1 67 . TYR . 19088 1 68 . ASP . 19088 1 69 . PRO . 19088 1 70 . ASP . 19088 1 71 . ALA . 19088 1 72 . PRO . 19088 1 73 . THR . 19088 1 74 . LEU . 19088 1 75 . SER . 19088 1 76 . GLY . 19088 1 77 . PHE . 19088 1 78 . TRP . 19088 1 79 . HIS . 19088 1 80 . TRP . 19088 1 81 . ALA . 19088 1 82 . VAL . 19088 1 83 . ALA . 19088 1 84 . ASN . 19088 1 85 . LEU . 19088 1 86 . PRO . 19088 1 87 . ALA . 19088 1 88 . ASN . 19088 1 89 . VAL . 19088 1 90 . THR . 19088 1 91 . GLU . 19088 1 92 . LEU . 19088 1 93 . PRO . 19088 1 94 . GLU . 19088 1 95 . GLY . 19088 1 96 . VAL . 19088 1 97 . GLY . 19088 1 98 . ASP . 19088 1 99 . GLY . 19088 1 100 . ARG . 19088 1 101 . GLU . 19088 1 102 . LEU . 19088 1 103 . PRO . 19088 1 104 . GLY . 19088 1 105 . GLY . 19088 1 106 . ALA . 19088 1 107 . LEU . 19088 1 108 . THR . 19088 1 109 . LEU . 19088 1 110 . VAL . 19088 1 111 . ASN . 19088 1 112 . ASP . 19088 1 113 . ALA . 19088 1 114 . GLY . 19088 1 115 . MET . 19088 1 116 . ARG . 19088 1 117 . ARG . 19088 1 118 . TYR . 19088 1 119 . VAL . 19088 1 120 . GLY . 19088 1 121 . ALA . 19088 1 122 . ALA . 19088 1 123 . PRO . 19088 1 124 . PRO . 19088 1 125 . PRO . 19088 1 126 . GLY . 19088 1 127 . HIS . 19088 1 128 . GLY . 19088 1 129 . VAL . 19088 1 130 . HIS . 19088 1 131 . ARG . 19088 1 132 . TYR . 19088 1 133 . TYR . 19088 1 134 . VAL . 19088 1 135 . ALA . 19088 1 136 . VAL . 19088 1 137 . HIS . 19088 1 138 . ALA . 19088 1 139 . VAL . 19088 1 140 . LYS . 19088 1 141 . VAL . 19088 1 142 . GLU . 19088 1 143 . LYS . 19088 1 144 . LEU . 19088 1 145 . ASP . 19088 1 146 . LEU . 19088 1 147 . PRO . 19088 1 148 . GLU . 19088 1 149 . ASP . 19088 1 150 . ALA . 19088 1 151 . SER . 19088 1 152 . PRO . 19088 1 153 . ALA . 19088 1 154 . TYR . 19088 1 155 . LEU . 19088 1 156 . GLY . 19088 1 157 . PHE . 19088 1 158 . ASN . 19088 1 159 . LEU . 19088 1 160 . PHE . 19088 1 161 . GLN . 19088 1 162 . HIS . 19088 1 163 . ALA . 19088 1 164 . ILE . 19088 1 165 . ALA . 19088 1 166 . ARG . 19088 1 167 . ALA . 19088 1 168 . VAL . 19088 1 169 . ILE . 19088 1 170 . PHE . 19088 1 171 . GLY . 19088 1 172 . THR . 19088 1 173 . TYR . 19088 1 174 . GLU . 19088 1 175 . GLN . 19088 1 176 . ARG . 19088 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 19088 1 . ALA 2 2 19088 1 . THR 3 3 19088 1 . SER 4 4 19088 1 . PRO 5 5 19088 1 . ASP 6 6 19088 1 . PRO 7 7 19088 1 . TYR 8 8 19088 1 . ALA 9 9 19088 1 . ALA 10 10 19088 1 . LEU 11 11 19088 1 . PRO 12 12 19088 1 . LYS 13 13 19088 1 . LEU 14 14 19088 1 . PRO 15 15 19088 1 . SER 16 16 19088 1 . PHE 17 17 19088 1 . SER 18 18 19088 1 . LEU 19 19 19088 1 . THR 20 20 19088 1 . SER 21 21 19088 1 . THR 22 22 19088 1 . SER 23 23 19088 1 . ILE 24 24 19088 1 . THR 25 25 19088 1 . ASP 26 26 19088 1 . GLY 27 27 19088 1 . GLN 28 28 19088 1 . PRO 29 29 19088 1 . LEU 30 30 19088 1 . ALA 31 31 19088 1 . THR 32 32 19088 1 . PRO 33 33 19088 1 . GLN 34 34 19088 1 . VAL 35 35 19088 1 . SER 36 36 19088 1 . GLY 37 37 19088 1 . ILE 38 38 19088 1 . MET 39 39 19088 1 . GLY 40 40 19088 1 . ALA 41 41 19088 1 . GLY 42 42 19088 1 . GLY 43 43 19088 1 . ALA 44 44 19088 1 . ASP 45 45 19088 1 . ALA 46 46 19088 1 . SER 47 47 19088 1 . PRO 48 48 19088 1 . GLN 49 49 19088 1 . LEU 50 50 19088 1 . ARG 51 51 19088 1 . TRP 52 52 19088 1 . SER 53 53 19088 1 . GLY 54 54 19088 1 . PHE 55 55 19088 1 . PRO 56 56 19088 1 . SER 57 57 19088 1 . GLU 58 58 19088 1 . THR 59 59 19088 1 . ARG 60 60 19088 1 . SER 61 61 19088 1 . PHE 62 62 19088 1 . ALA 63 63 19088 1 . VAL 64 64 19088 1 . THR 65 65 19088 1 . VAL 66 66 19088 1 . TYR 67 67 19088 1 . ASP 68 68 19088 1 . PRO 69 69 19088 1 . ASP 70 70 19088 1 . ALA 71 71 19088 1 . PRO 72 72 19088 1 . THR 73 73 19088 1 . LEU 74 74 19088 1 . SER 75 75 19088 1 . GLY 76 76 19088 1 . PHE 77 77 19088 1 . TRP 78 78 19088 1 . HIS 79 79 19088 1 . TRP 80 80 19088 1 . ALA 81 81 19088 1 . VAL 82 82 19088 1 . ALA 83 83 19088 1 . ASN 84 84 19088 1 . LEU 85 85 19088 1 . PRO 86 86 19088 1 . ALA 87 87 19088 1 . ASN 88 88 19088 1 . VAL 89 89 19088 1 . THR 90 90 19088 1 . GLU 91 91 19088 1 . LEU 92 92 19088 1 . PRO 93 93 19088 1 . GLU 94 94 19088 1 . GLY 95 95 19088 1 . VAL 96 96 19088 1 . GLY 97 97 19088 1 . ASP 98 98 19088 1 . GLY 99 99 19088 1 . ARG 100 100 19088 1 . GLU 101 101 19088 1 . LEU 102 102 19088 1 . PRO 103 103 19088 1 . GLY 104 104 19088 1 . GLY 105 105 19088 1 . ALA 106 106 19088 1 . LEU 107 107 19088 1 . THR 108 108 19088 1 . LEU 109 109 19088 1 . VAL 110 110 19088 1 . ASN 111 111 19088 1 . ASP 112 112 19088 1 . ALA 113 113 19088 1 . GLY 114 114 19088 1 . MET 115 115 19088 1 . ARG 116 116 19088 1 . ARG 117 117 19088 1 . TYR 118 118 19088 1 . VAL 119 119 19088 1 . GLY 120 120 19088 1 . ALA 121 121 19088 1 . ALA 122 122 19088 1 . PRO 123 123 19088 1 . PRO 124 124 19088 1 . PRO 125 125 19088 1 . GLY 126 126 19088 1 . HIS 127 127 19088 1 . GLY 128 128 19088 1 . VAL 129 129 19088 1 . HIS 130 130 19088 1 . ARG 131 131 19088 1 . TYR 132 132 19088 1 . TYR 133 133 19088 1 . VAL 134 134 19088 1 . ALA 135 135 19088 1 . VAL 136 136 19088 1 . HIS 137 137 19088 1 . ALA 138 138 19088 1 . VAL 139 139 19088 1 . LYS 140 140 19088 1 . VAL 141 141 19088 1 . GLU 142 142 19088 1 . LYS 143 143 19088 1 . LEU 144 144 19088 1 . ASP 145 145 19088 1 . LEU 146 146 19088 1 . PRO 147 147 19088 1 . GLU 148 148 19088 1 . ASP 149 149 19088 1 . ALA 150 150 19088 1 . SER 151 151 19088 1 . PRO 152 152 19088 1 . ALA 153 153 19088 1 . TYR 154 154 19088 1 . LEU 155 155 19088 1 . GLY 156 156 19088 1 . PHE 157 157 19088 1 . ASN 158 158 19088 1 . LEU 159 159 19088 1 . PHE 160 160 19088 1 . GLN 161 161 19088 1 . HIS 162 162 19088 1 . ALA 163 163 19088 1 . ILE 164 164 19088 1 . ALA 165 165 19088 1 . ARG 166 166 19088 1 . ALA 167 167 19088 1 . VAL 168 168 19088 1 . ILE 169 169 19088 1 . PHE 170 170 19088 1 . GLY 171 171 19088 1 . THR 172 172 19088 1 . TYR 173 173 19088 1 . GLU 174 174 19088 1 . GLN 175 175 19088 1 . ARG 176 176 19088 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 19088 _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 $Rv2140c . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37RV . . . . . . . . . . . . . . . . . . . . 19088 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 19088 _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 $Rv2140c . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pETM-11 . . . . . . 19088 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rv2140c_1 _Sample.Sf_category sample _Sample.Sf_framecode Rv2140c_1 _Sample.Entry_ID 19088 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv2140c '[[U-95% 13C; U-95% 15N]]' . . 1 $Rv2140c . . 0.36 . . mM . . . . 19088 1 2 'Sodium Chloride' 'natural abundance' . . . . . . 50.00 . . mM . . . . 19088 1 3 'Phophate buffer' 'natural abundance' . . . . . . 20.00 . . mM . . . . 19088 1 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 19088 _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 7.000 . pH 19088 1 temperature 300 . K 19088 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19088 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19088 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'resonance assignment' 19088 1 stop_ save_ save_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode XWIN-NMR _Software.Entry_ID 19088 _Software.ID 2 _Software.Name XWIN-NMR _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19088 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 19088 2 'data processing' 19088 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750 _NMR_spectrometer.Entry_ID 19088 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'standard configuration with triple resonance cryogenic probe equipped with self-shielded single axis gradient coils' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 19088 _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 1 750 Bruker DMX . 750 'standard configuration with triple resonance cryogenic probe equipped with self-shielded single axis gradient coils' . . 19088 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 19088 _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 $NMR_spectrometer_expt . . . . . . . . 1 $Rv2140c_1 isotropic . . 1 $CondSet1 . . . 1 $750 . . . . . . . . . . . . . . . . 19088 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Rv2140c_1 isotropic . . 1 $CondSet1 . . . 1 $750 . . . . . . . . . . . . . . . . 19088 1 3 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Rv2140c_1 isotropic . . 1 $CondSet1 . . . 1 $750 . . . . . . . . . . . . . . . . 19088 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Rv2140c_1 isotropic . . 1 $CondSet1 . . . 1 $750 . . . . . . . . . . . . . . . . 19088 1 5 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Rv2140c_1 isotropic . . 1 $CondSet1 . . . 1 $750 . . . . . . . . . . . . . . . . 19088 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19088 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $750 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19088 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19088 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . . . . . 19088 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19088 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19088 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $Rv2140c_1 isotropic 19088 1 2 '3D HNCA' 1 $Rv2140c_1 isotropic 19088 1 3 '3D HN(CO)CA' 1 $Rv2140c_1 isotropic 19088 1 4 '3D HNCO' 1 $Rv2140c_1 isotropic 19088 1 5 '3D HN(CA)CO' 1 $Rv2140c_1 isotropic 19088 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA C C 13 177.510 0.1 . 1 . 513 . . 2 ALA C . 19088 1 2 . 1 1 3 3 THR H H 1 8.102 0.01 . 1 . 255 . . 3 THR H . 19088 1 3 . 1 1 3 3 THR C C 13 174.518 0.1 . 1 . 514 . . 3 THR C . 19088 1 4 . 1 1 3 3 THR CA C 13 61.673 0.1 . 1 . 499 . . 3 THR CA . 19088 1 5 . 1 1 3 3 THR N N 15 112.548 0.1 . 1 . 256 . . 3 THR N . 19088 1 6 . 1 1 4 4 SER H H 1 8.171 0.01 . 1 . 159 . . 4 SER H . 19088 1 7 . 1 1 4 4 SER CA C 13 56.559 0.1 . 1 . 476 . . 4 SER CA . 19088 1 8 . 1 1 4 4 SER N N 15 119.314 0.1 . 1 . 160 . . 4 SER N . 19088 1 9 . 1 1 5 5 PRO C C 13 176.284 0.1 . 1 . 515 . . 5 PRO C . 19088 1 10 . 1 1 6 6 ASP H H 1 8.284 0.01 . 1 . 101 . . 6 ASP H . 19088 1 11 . 1 1 6 6 ASP CA C 13 51.079 0.1 . 1 . 457 . . 6 ASP CA . 19088 1 12 . 1 1 6 6 ASP N N 15 122.553 0.1 . 1 . 102 . . 6 ASP N . 19088 1 13 . 1 1 7 7 PRO C C 13 177.219 0.1 . 1 . 516 . . 7 PRO C . 19088 1 14 . 1 1 8 8 TYR H H 1 8.375 0.01 . 1 . 205 . . 8 TYR H . 19088 1 15 . 1 1 8 8 TYR C C 13 177.464 0.1 . 1 . 517 . . 8 TYR C . 19088 1 16 . 1 1 8 8 TYR CA C 13 60.890 0.1 . 1 . 491 . . 8 TYR CA . 19088 1 17 . 1 1 8 8 TYR N N 15 116.393 0.1 . 1 . 206 . . 8 TYR N . 19088 1 18 . 1 1 9 9 ALA H H 1 7.598 0.01 . 1 . 79 . . 9 ALA H . 19088 1 19 . 1 1 9 9 ALA C C 13 177.933 0.1 . 1 . 518 . . 9 ALA C . 19088 1 20 . 1 1 9 9 ALA CA C 13 55.311 0.1 . 1 . 368 . . 9 ALA CA . 19088 1 21 . 1 1 9 9 ALA N N 15 123.994 0.1 . 1 . 80 . . 9 ALA N . 19088 1 22 . 1 1 10 10 ALA H H 1 7.746 0.01 . 1 . 195 . . 10 ALA H . 19088 1 23 . 1 1 10 10 ALA C C 13 177.084 0.1 . 1 . 519 . . 10 ALA C . 19088 1 24 . 1 1 10 10 ALA CA C 13 51.783 0.1 . 1 . 444 . . 10 ALA CA . 19088 1 25 . 1 1 10 10 ALA N N 15 116.840 0.1 . 1 . 196 . . 10 ALA N . 19088 1 26 . 1 1 11 11 LEU H H 1 7.386 0.01 . 1 . 335 . . 11 LEU H . 19088 1 27 . 1 1 11 11 LEU CA C 13 53.638 0.1 . 1 . 445 . . 11 LEU CA . 19088 1 28 . 1 1 11 11 LEU N N 15 121.721 0.1 . 1 . 336 . . 11 LEU N . 19088 1 29 . 1 1 12 12 PRO C C 13 176.548 0.1 . 1 . 520 . . 12 PRO C . 19088 1 30 . 1 1 13 13 LYS H H 1 8.724 0.01 . 1 . 47 . . 13 LYS H . 19088 1 31 . 1 1 13 13 LYS C C 13 175.995 0.1 . 1 . 521 . . 13 LYS C . 19088 1 32 . 1 1 13 13 LYS CA C 13 56.313 0.1 . 1 . 429 . . 13 LYS CA . 19088 1 33 . 1 1 13 13 LYS N N 15 125.595 0.1 . 1 . 48 . . 13 LYS N . 19088 1 34 . 1 1 14 14 LEU H H 1 7.786 0.01 . 1 . 55 . . 14 LEU H . 19088 1 35 . 1 1 14 14 LEU CA C 13 51.562 0.1 . 1 . 430 . . 14 LEU CA . 19088 1 36 . 1 1 14 14 LEU N N 15 125.159 0.1 . 1 . 56 . . 14 LEU N . 19088 1 37 . 1 1 15 15 PRO C C 13 174.793 0.1 . 1 . 522 . . 15 PRO C . 19088 1 38 . 1 1 16 16 SER H H 1 8.479 0.01 . 1 . 213 . . 16 SER H . 19088 1 39 . 1 1 16 16 SER C C 13 175.199 0.1 . 1 . 523 . . 16 SER C . 19088 1 40 . 1 1 16 16 SER CA C 13 55.661 0.1 . 1 . 493 . . 16 SER CA . 19088 1 41 . 1 1 16 16 SER N N 15 114.876 0.1 . 1 . 214 . . 16 SER N . 19088 1 42 . 1 1 17 17 PHE H H 1 7.348 0.01 . 1 . 219 . . 17 PHE H . 19088 1 43 . 1 1 17 17 PHE C C 13 172.719 0.1 . 1 . 524 . . 17 PHE C . 19088 1 44 . 1 1 17 17 PHE CA C 13 56.203 0.1 . 1 . 494 . . 17 PHE CA . 19088 1 45 . 1 1 17 17 PHE N N 15 114.474 0.1 . 1 . 220 . . 17 PHE N . 19088 1 46 . 1 1 18 18 SER H H 1 8.429 0.01 . 1 . 217 . . 18 SER H . 19088 1 47 . 1 1 18 18 SER C C 13 172.742 0.1 . 1 . 525 . . 18 SER C . 19088 1 48 . 1 1 18 18 SER CA C 13 59.376 0.1 . 1 . 495 . . 18 SER CA . 19088 1 49 . 1 1 18 18 SER N N 15 114.518 0.1 . 1 . 218 . . 18 SER N . 19088 1 50 . 1 1 19 19 LEU H H 1 8.054 0.01 . 1 . 21 . . 19 LEU H . 19088 1 51 . 1 1 19 19 LEU C C 13 174.422 0.1 . 1 . 526 . . 19 LEU C . 19088 1 52 . 1 1 19 19 LEU CA C 13 53.869 0.1 . 1 . 413 . . 19 LEU CA . 19088 1 53 . 1 1 19 19 LEU N N 15 127.612 0.1 . 1 . 22 . . 19 LEU N . 19088 1 54 . 1 1 20 20 THR H H 1 9.400 0.01 . 1 . 199 . . 20 THR H . 19088 1 55 . 1 1 20 20 THR C C 13 172.303 0.1 . 1 . 527 . . 20 THR C . 19088 1 56 . 1 1 20 20 THR CA C 13 59.343 0.1 . 1 . 359 . . 20 THR CA . 19088 1 57 . 1 1 20 20 THR N N 15 116.581 0.1 . 1 . 200 . . 20 THR N . 19088 1 58 . 1 1 21 21 SER H H 1 8.422 0.01 . 1 . 263 . . 21 SER H . 19088 1 59 . 1 1 21 21 SER C C 13 175.949 0.1 . 1 . 528 . . 21 SER C . 19088 1 60 . 1 1 21 21 SER CA C 13 56.101 0.1 . 1 . 414 . . 21 SER CA . 19088 1 61 . 1 1 21 21 SER N N 15 111.940 0.1 . 1 . 264 . . 21 SER N . 19088 1 62 . 1 1 22 22 THR H H 1 8.999 0.01 . 1 . 181 . . 22 THR H . 19088 1 63 . 1 1 22 22 THR C C 13 174.634 0.1 . 1 . 529 . . 22 THR C . 19088 1 64 . 1 1 22 22 THR CA C 13 62.991 0.1 . 1 . 415 . . 22 THR CA . 19088 1 65 . 1 1 22 22 THR N N 15 117.930 0.1 . 1 . 182 . . 22 THR N . 19088 1 66 . 1 1 23 23 SER H H 1 8.602 0.01 . 1 . 201 . . 23 SER H . 19088 1 67 . 1 1 23 23 SER C C 13 174.200 0.1 . 1 . 530 . . 23 SER C . 19088 1 68 . 1 1 23 23 SER CA C 13 59.167 0.1 . 1 . 416 . . 23 SER CA . 19088 1 69 . 1 1 23 23 SER N N 15 116.468 0.1 . 1 . 202 . . 23 SER N . 19088 1 70 . 1 1 24 24 ILE H H 1 7.561 0.01 . 1 . 105 . . 24 ILE H . 19088 1 71 . 1 1 24 24 ILE C C 13 174.409 0.1 . 1 . 531 . . 24 ILE C . 19088 1 72 . 1 1 24 24 ILE CA C 13 59.746 0.1 . 1 . 376 . . 24 ILE CA . 19088 1 73 . 1 1 24 24 ILE N N 15 122.438 0.1 . 1 . 106 . . 24 ILE N . 19088 1 74 . 1 1 25 25 THR H H 1 8.861 0.01 . 1 . 63 . . 25 THR H . 19088 1 75 . 1 1 25 25 THR C C 13 173.197 0.1 . 1 . 532 . . 25 THR C . 19088 1 76 . 1 1 25 25 THR CA C 13 61.627 0.1 . 1 . 377 . . 25 THR CA . 19088 1 77 . 1 1 25 25 THR N N 15 124.709 0.1 . 1 . 64 . . 25 THR N . 19088 1 78 . 1 1 26 26 ASP H H 1 8.610 0.01 . 1 . 35 . . 26 ASP H . 19088 1 79 . 1 1 26 26 ASP C C 13 177.293 0.1 . 1 . 533 . . 26 ASP C . 19088 1 80 . 1 1 26 26 ASP CA C 13 55.987 0.1 . 1 . 417 . . 26 ASP CA . 19088 1 81 . 1 1 26 26 ASP N N 15 126.553 0.1 . 1 . 36 . . 26 ASP N . 19088 1 82 . 1 1 27 27 GLY H H 1 8.539 0.01 . 1 . 241 . . 27 GLY H . 19088 1 83 . 1 1 27 27 GLY C C 13 174.056 0.1 . 1 . 534 . . 27 GLY C . 19088 1 84 . 1 1 27 27 GLY CA C 13 44.789 0.1 . 1 . 418 . . 27 GLY CA . 19088 1 85 . 1 1 27 27 GLY N N 15 113.474 0.1 . 1 . 242 . . 27 GLY N . 19088 1 86 . 1 1 28 28 GLN H H 1 8.360 0.01 . 1 . 153 . . 28 GLN H . 19088 1 87 . 1 1 28 28 GLN CA C 13 53.368 0.1 . 1 . 473 . . 28 GLN CA . 19088 1 88 . 1 1 28 28 GLN N N 15 119.780 0.1 . 1 . 154 . . 28 GLN N . 19088 1 89 . 1 1 29 29 PRO C C 13 178.739 0.1 . 1 . 535 . . 29 PRO C . 19088 1 90 . 1 1 30 30 LEU H H 1 9.622 0.01 . 1 . 87 . . 30 LEU H . 19088 1 91 . 1 1 30 30 LEU C C 13 175.960 0.1 . 1 . 536 . . 30 LEU C . 19088 1 92 . 1 1 30 30 LEU CA C 13 54.709 0.1 . 1 . 446 . . 30 LEU CA . 19088 1 93 . 1 1 30 30 LEU N N 15 123.812 0.1 . 1 . 88 . . 30 LEU N . 19088 1 94 . 1 1 31 31 ALA H H 1 9.965 0.01 . 1 . 65 . . 31 ALA H . 19088 1 95 . 1 1 31 31 ALA C C 13 177.824 0.1 . 1 . 537 . . 31 ALA C . 19088 1 96 . 1 1 31 31 ALA CA C 13 50.394 0.1 . 1 . 380 . . 31 ALA CA . 19088 1 97 . 1 1 31 31 ALA N N 15 124.691 0.1 . 1 . 66 . . 31 ALA N . 19088 1 98 . 1 1 32 32 THR H H 1 8.270 0.01 . 1 . 221 . . 32 THR H . 19088 1 99 . 1 1 32 32 THR CA C 13 67.411 0.1 . 1 . 381 . . 32 THR CA . 19088 1 100 . 1 1 32 32 THR N N 15 114.378 0.1 . 1 . 222 . . 32 THR N . 19088 1 101 . 1 1 33 33 PRO C C 13 177.036 0.1 . 1 . 538 . . 33 PRO C . 19088 1 102 . 1 1 34 34 GLN H H 1 7.082 0.01 . 1 . 273 . . 34 GLN H . 19088 1 103 . 1 1 34 34 GLN C C 13 178.233 0.1 . 1 . 539 . . 34 GLN C . 19088 1 104 . 1 1 34 34 GLN CA C 13 57.651 0.1 . 1 . 501 . . 34 GLN CA . 19088 1 105 . 1 1 34 34 GLN N N 15 110.925 0.1 . 1 . 274 . . 34 GLN N . 19088 1 106 . 1 1 35 35 VAL H H 1 7.757 0.01 . 1 . 61 . . 35 VAL H . 19088 1 107 . 1 1 35 35 VAL C C 13 174.785 0.1 . 1 . 540 . . 35 VAL C . 19088 1 108 . 1 1 35 35 VAL CA C 13 62.682 0.1 . 1 . 508 . . 35 VAL CA . 19088 1 109 . 1 1 35 35 VAL N N 15 124.772 0.1 . 1 . 62 . . 35 VAL N . 19088 1 110 . 1 1 36 36 SER H H 1 8.974 0.01 . 1 . 155 . . 36 SER H . 19088 1 111 . 1 1 36 36 SER C C 13 177.455 0.1 . 1 . 541 . . 36 SER C . 19088 1 112 . 1 1 36 36 SER CA C 13 58.593 0.1 . 1 . 370 . . 36 SER CA . 19088 1 113 . 1 1 36 36 SER N N 15 119.607 0.1 . 1 . 156 . . 36 SER N . 19088 1 114 . 1 1 37 37 GLY H H 1 8.830 0.01 . 1 . 323 . . 37 GLY H . 19088 1 115 . 1 1 37 37 GLY C C 13 177.176 0.1 . 1 . 542 . . 37 GLY C . 19088 1 116 . 1 1 37 37 GLY CA C 13 46.323 0.1 . 1 . 371 . . 37 GLY CA . 19088 1 117 . 1 1 37 37 GLY N N 15 121.209 0.1 . 1 . 324 . . 37 GLY N . 19088 1 118 . 1 1 38 38 ILE H H 1 9.540 0.01 . 1 . 13 . . 38 ILE H . 19088 1 119 . 1 1 38 38 ILE C C 13 177.890 0.1 . 1 . 543 . . 38 ILE C . 19088 1 120 . 1 1 38 38 ILE CA C 13 65.198 0.1 . 1 . 374 . . 38 ILE CA . 19088 1 121 . 1 1 38 38 ILE N N 15 129.403 0.1 . 1 . 14 . . 38 ILE N . 19088 1 122 . 1 1 39 39 MET H H 1 8.549 0.01 . 1 . 321 . . 39 MET H . 19088 1 123 . 1 1 39 39 MET C C 13 177.166 0.1 . 1 . 544 . . 39 MET C . 19088 1 124 . 1 1 39 39 MET CA C 13 54.940 0.1 . 1 . 375 . . 39 MET CA . 19088 1 125 . 1 1 39 39 MET N N 15 113.199 0.1 . 1 . 322 . . 39 MET N . 19088 1 126 . 1 1 40 40 GLY H H 1 7.421 0.01 . 1 . 313 . . 40 GLY H . 19088 1 127 . 1 1 40 40 GLY C C 13 174.258 0.1 . 1 . 545 . . 40 GLY C . 19088 1 128 . 1 1 40 40 GLY CA C 13 47.055 0.1 . 1 . 342 . . 40 GLY CA . 19088 1 129 . 1 1 40 40 GLY N N 15 104.819 0.1 . 1 . 314 . . 40 GLY N . 19088 1 130 . 1 1 41 41 ALA H H 1 7.012 0.01 . 1 . 151 . . 41 ALA H . 19088 1 131 . 1 1 41 41 ALA C C 13 177.312 0.1 . 1 . 546 . . 41 ALA C . 19088 1 132 . 1 1 41 41 ALA CA C 13 51.531 0.1 . 1 . 343 . . 41 ALA CA . 19088 1 133 . 1 1 41 41 ALA N N 15 119.840 0.1 . 1 . 152 . . 41 ALA N . 19088 1 134 . 1 1 42 42 GLY H H 1 8.702 0.01 . 1 . 303 . . 42 GLY H . 19088 1 135 . 1 1 42 42 GLY C C 13 174.997 0.1 . 1 . 547 . . 42 GLY C . 19088 1 136 . 1 1 42 42 GLY CA C 13 45.701 0.1 . 1 . 344 . . 42 GLY CA . 19088 1 137 . 1 1 42 42 GLY N N 15 107.212 0.1 . 1 . 304 . . 42 GLY N . 19088 1 138 . 1 1 43 43 GLY H H 1 6.795 0.01 . 1 . 311 . . 43 GLY H . 19088 1 139 . 1 1 43 43 GLY C C 13 172.186 0.1 . 1 . 548 . . 43 GLY C . 19088 1 140 . 1 1 43 43 GLY CA C 13 44.101 0.1 . 1 . 347 . . 43 GLY CA . 19088 1 141 . 1 1 43 43 GLY N N 15 105.403 0.1 . 1 . 312 . . 43 GLY N . 19088 1 142 . 1 1 44 44 ALA H H 1 6.492 0.01 . 1 . 179 . . 44 ALA H . 19088 1 143 . 1 1 44 44 ALA C C 13 177.368 0.1 . 1 . 549 . . 44 ALA C . 19088 1 144 . 1 1 44 44 ALA CA C 13 51.053 0.1 . 1 . 348 . . 44 ALA CA . 19088 1 145 . 1 1 44 44 ALA N N 15 117.996 0.1 . 1 . 180 . . 44 ALA N . 19088 1 146 . 1 1 45 45 ASP H H 1 8.976 0.01 . 1 . 251 . . 45 ASP H . 19088 1 147 . 1 1 45 45 ASP C C 13 172.594 0.1 . 1 . 550 . . 45 ASP C . 19088 1 148 . 1 1 45 45 ASP CA C 13 56.896 0.1 . 1 . 349 . . 45 ASP CA . 19088 1 149 . 1 1 45 45 ASP N N 15 112.722 0.1 . 1 . 252 . . 45 ASP N . 19088 1 150 . 1 1 46 46 ALA H H 1 8.868 0.01 . 1 . 337 . . 46 ALA H . 19088 1 151 . 1 1 46 46 ALA C C 13 175.683 0.1 . 1 . 551 . . 46 ALA C . 19088 1 152 . 1 1 46 46 ALA CA C 13 50.087 0.1 . 1 . 472 . . 46 ALA CA . 19088 1 153 . 1 1 46 46 ALA N N 15 120.447 0.1 . 1 . 338 . . 46 ALA N . 19088 1 154 . 1 1 47 47 SER H H 1 8.698 0.01 . 1 . 73 . . 47 SER H . 19088 1 155 . 1 1 47 47 SER CA C 13 55.813 0.1 . 1 . 442 . . 47 SER CA . 19088 1 156 . 1 1 47 47 SER N N 15 124.223 0.1 . 1 . 74 . . 47 SER N . 19088 1 157 . 1 1 48 48 PRO C C 13 175.994 0.1 . 1 . 552 . . 48 PRO C . 19088 1 158 . 1 1 49 49 GLN H H 1 8.385 0.01 . 1 . 99 . . 49 GLN H . 19088 1 159 . 1 1 49 49 GLN C C 13 175.704 0.1 . 1 . 553 . . 49 GLN C . 19088 1 160 . 1 1 49 49 GLN CA C 13 56.770 0.1 . 1 . 456 . . 49 GLN CA . 19088 1 161 . 1 1 49 49 GLN N N 15 122.544 0.1 . 1 . 100 . . 49 GLN N . 19088 1 162 . 1 1 50 50 LEU H H 1 8.800 0.01 . 1 . 45 . . 50 LEU H . 19088 1 163 . 1 1 50 50 LEU C C 13 174.829 0.1 . 1 . 554 . . 50 LEU C . 19088 1 164 . 1 1 50 50 LEU CA C 13 54.189 0.1 . 1 . 426 . . 50 LEU CA . 19088 1 165 . 1 1 50 50 LEU N N 15 125.684 0.1 . 1 . 46 . . 50 LEU N . 19088 1 166 . 1 1 51 51 ARG H H 1 8.846 0.01 . 1 . 143 . . 51 ARG H . 19088 1 167 . 1 1 51 51 ARG C C 13 174.238 0.1 . 1 . 555 . . 51 ARG C . 19088 1 168 . 1 1 51 51 ARG CA C 13 55.699 0.1 . 1 . 427 . . 51 ARG CA . 19088 1 169 . 1 1 51 51 ARG N N 15 120.441 0.1 . 1 . 144 . . 51 ARG N . 19088 1 170 . 1 1 52 52 TRP H H 1 8.617 0.01 . 1 . 59 . . 52 TRP H . 19088 1 171 . 1 1 52 52 TRP C C 13 174.870 0.1 . 1 . 556 . . 52 TRP C . 19088 1 172 . 1 1 52 52 TRP CA C 13 55.292 0.1 . 1 . 428 . . 52 TRP CA . 19088 1 173 . 1 1 52 52 TRP N N 15 124.810 0.1 . 1 . 60 . . 52 TRP N . 19088 1 174 . 1 1 53 53 SER H H 1 8.988 0.01 . 1 . 289 . . 53 SER H . 19088 1 175 . 1 1 53 53 SER CA C 13 58.168 0.1 . 1 . 369 . . 53 SER CA . 19088 1 176 . 1 1 53 53 SER N N 15 109.675 0.1 . 1 . 290 . . 53 SER N . 19088 1 177 . 1 1 54 54 GLY H H 1 7.823 0.01 . 1 . 307 . . 54 GLY H . 19088 1 178 . 1 1 54 54 GLY C C 13 174.522 0.1 . 1 . 557 . . 54 GLY C . 19088 1 179 . 1 1 54 54 GLY CA C 13 45.993 0.1 . 1 . 512 . . 54 GLY CA . 19088 1 180 . 1 1 54 54 GLY N N 15 106.621 0.1 . 1 . 308 . . 54 GLY N . 19088 1 181 . 1 1 55 55 PHE H H 1 6.315 0.01 . 1 . 207 . . 55 PHE H . 19088 1 182 . 1 1 55 55 PHE CA C 13 52.102 0.1 . 1 . 360 . . 55 PHE CA . 19088 1 183 . 1 1 55 55 PHE N N 15 116.223 0.1 . 1 . 208 . . 55 PHE N . 19088 1 184 . 1 1 57 57 SER C C 13 175.541 0.1 . 1 . 558 . . 57 SER C . 19088 1 185 . 1 1 58 58 GLU H H 1 8.865 0.01 . 1 . 163 . . 58 GLU H . 19088 1 186 . 1 1 58 58 GLU C C 13 175.050 0.1 . 1 . 559 . . 58 GLU C . 19088 1 187 . 1 1 58 58 GLU CA C 13 57.541 0.1 . 1 . 477 . . 58 GLU CA . 19088 1 188 . 1 1 58 58 GLU N N 15 119.161 0.1 . 1 . 164 . . 58 GLU N . 19088 1 189 . 1 1 59 59 THR H H 1 7.558 0.01 . 1 . 197 . . 59 THR H . 19088 1 190 . 1 1 59 59 THR C C 13 174.564 0.1 . 1 . 560 . . 59 THR C . 19088 1 191 . 1 1 59 59 THR CA C 13 66.821 0.1 . 1 . 478 . . 59 THR CA . 19088 1 192 . 1 1 59 59 THR N N 15 116.886 0.1 . 1 . 198 . . 59 THR N . 19088 1 193 . 1 1 60 60 ARG H H 1 8.461 0.01 . 1 . 91 . . 60 ARG H . 19088 1 194 . 1 1 60 60 ARG C C 13 174.547 0.1 . 1 . 561 . . 60 ARG C . 19088 1 195 . 1 1 60 60 ARG CA C 13 54.790 0.1 . 1 . 447 . . 60 ARG CA . 19088 1 196 . 1 1 60 60 ARG N N 15 123.738 0.1 . 1 . 92 . . 60 ARG N . 19088 1 197 . 1 1 61 61 SER H H 1 7.780 0.01 . 1 . 259 . . 61 SER H . 19088 1 198 . 1 1 61 61 SER C C 13 171.619 0.1 . 1 . 562 . . 61 SER C . 19088 1 199 . 1 1 61 61 SER CA C 13 58.518 0.1 . 1 . 448 . . 61 SER CA . 19088 1 200 . 1 1 61 61 SER N N 15 112.340 0.1 . 1 . 260 . . 61 SER N . 19088 1 201 . 1 1 62 62 PHE H H 1 9.323 0.01 . 1 . 233 . . 62 PHE H . 19088 1 202 . 1 1 62 62 PHE C C 13 174.518 0.1 . 1 . 563 . . 62 PHE C . 19088 1 203 . 1 1 62 62 PHE CA C 13 56.497 0.1 . 1 . 449 . . 62 PHE CA . 19088 1 204 . 1 1 62 62 PHE N N 15 113.685 0.1 . 1 . 234 . . 62 PHE N . 19088 1 205 . 1 1 63 63 ALA H H 1 8.440 0.01 . 1 . 147 . . 63 ALA H . 19088 1 206 . 1 1 63 63 ALA C C 13 176.252 0.1 . 1 . 564 . . 63 ALA C . 19088 1 207 . 1 1 63 63 ALA CA C 13 50.156 0.1 . 1 . 450 . . 63 ALA CA . 19088 1 208 . 1 1 63 63 ALA N N 15 120.259 0.1 . 1 . 148 . . 63 ALA N . 19088 1 209 . 1 1 64 64 VAL H H 1 9.095 0.01 . 1 . 325 . . 64 VAL H . 19088 1 210 . 1 1 64 64 VAL C C 13 174.364 0.1 . 1 . 565 . . 64 VAL C . 19088 1 211 . 1 1 64 64 VAL CA C 13 60.862 0.1 . 1 . 451 . . 64 VAL CA . 19088 1 212 . 1 1 64 64 VAL N N 15 123.820 0.1 . 1 . 326 . . 64 VAL N . 19088 1 213 . 1 1 65 65 THR H H 1 8.930 0.01 . 1 . 227 . . 65 THR H . 19088 1 214 . 1 1 65 65 THR C C 13 174.365 0.1 . 1 . 566 . . 65 THR C . 19088 1 215 . 1 1 65 65 THR CA C 13 58.858 0.1 . 1 . 452 . . 65 THR CA . 19088 1 216 . 1 1 65 65 THR N N 15 114.133 0.1 . 1 . 228 . . 65 THR N . 19088 1 217 . 1 1 66 66 VAL H H 1 9.315 0.01 . 1 . 177 . . 66 VAL H . 19088 1 218 . 1 1 66 66 VAL C C 13 175.135 0.1 . 1 . 567 . . 66 VAL C . 19088 1 219 . 1 1 66 66 VAL CA C 13 62.012 0.1 . 1 . 453 . . 66 VAL CA . 19088 1 220 . 1 1 66 66 VAL N N 15 118.138 0.1 . 1 . 178 . . 66 VAL N . 19088 1 221 . 1 1 67 67 TYR H H 1 9.522 0.01 . 1 . 3 . . 67 TYR H . 19088 1 222 . 1 1 67 67 TYR C C 13 172.486 0.1 . 1 . 568 . . 67 TYR C . 19088 1 223 . 1 1 67 67 TYR CA C 13 57.146 0.1 . 1 . 392 . . 67 TYR CA . 19088 1 224 . 1 1 67 67 TYR N N 15 131.748 0.1 . 1 . 4 . . 67 TYR N . 19088 1 225 . 1 1 68 68 ASP H H 1 8.607 0.01 . 1 . 27 . . 68 ASP H . 19088 1 226 . 1 1 68 68 ASP CA C 13 48.862 0.1 . 1 . 393 . . 68 ASP CA . 19088 1 227 . 1 1 68 68 ASP N N 15 127.108 0.1 . 1 . 28 . . 68 ASP N . 19088 1 228 . 1 1 69 69 PRO C C 13 176.275 0.1 . 1 . 569 . . 69 PRO C . 19088 1 229 . 1 1 70 70 ASP H H 1 8.498 0.01 . 1 . 175 . . 70 ASP H . 19088 1 230 . 1 1 70 70 ASP C C 13 175.343 0.1 . 1 . 570 . . 70 ASP C . 19088 1 231 . 1 1 70 70 ASP CA C 13 54.995 0.1 . 1 . 372 . . 70 ASP CA . 19088 1 232 . 1 1 70 70 ASP N N 15 118.237 0.1 . 1 . 176 . . 70 ASP N . 19088 1 233 . 1 1 71 71 ALA H H 1 6.212 0.01 . 1 . 81 . . 71 ALA H . 19088 1 234 . 1 1 71 71 ALA CA C 13 49.909 0.1 . 1 . 373 . . 71 ALA CA . 19088 1 235 . 1 1 71 71 ALA N N 15 123.958 0.1 . 1 . 82 . . 71 ALA N . 19088 1 236 . 1 1 72 72 PRO C C 13 174.380 0.1 . 1 . 571 . . 72 PRO C . 19088 1 237 . 1 1 73 73 THR H H 1 8.208 0.01 . 1 . 261 . . 73 THR H . 19088 1 238 . 1 1 73 73 THR C C 13 175.145 0.1 . 1 . 572 . . 73 THR C . 19088 1 239 . 1 1 73 73 THR CA C 13 62.651 0.1 . 1 . 500 . . 73 THR CA . 19088 1 240 . 1 1 73 73 THR N N 15 112.173 0.1 . 1 . 262 . . 73 THR N . 19088 1 241 . 1 1 74 74 LEU H H 1 7.957 0.01 . 1 . 187 . . 74 LEU H . 19088 1 242 . 1 1 74 74 LEU C C 13 175.243 0.1 . 1 . 573 . . 74 LEU C . 19088 1 243 . 1 1 74 74 LEU CA C 13 60.860 0.1 . 1 . 488 . . 74 LEU CA . 19088 1 244 . 1 1 74 74 LEU N N 15 117.457 0.1 . 1 . 188 . . 74 LEU N . 19088 1 245 . 1 1 75 75 SER H H 1 8.145 0.01 . 1 . 291 . . 75 SER H . 19088 1 246 . 1 1 75 75 SER C C 13 177.991 0.1 . 1 . 574 . . 75 SER C . 19088 1 247 . 1 1 75 75 SER CA C 13 56.717 0.1 . 1 . 489 . . 75 SER CA . 19088 1 248 . 1 1 75 75 SER N N 15 109.609 0.1 . 1 . 292 . . 75 SER N . 19088 1 249 . 1 1 76 76 GLY H H 1 8.256 0.01 . 1 . 183 . . 76 GLY H . 19088 1 250 . 1 1 76 76 GLY C C 13 173.132 0.1 . 1 . 575 . . 76 GLY C . 19088 1 251 . 1 1 76 76 GLY CA C 13 46.266 0.1 . 1 . 486 . . 76 GLY CA . 19088 1 252 . 1 1 76 76 GLY N N 15 117.753 0.1 . 1 . 184 . . 76 GLY N . 19088 1 253 . 1 1 77 77 PHE H H 1 7.748 0.01 . 1 . 33 . . 77 PHE H . 19088 1 254 . 1 1 77 77 PHE C C 13 174.379 0.1 . 1 . 576 . . 77 PHE C . 19088 1 255 . 1 1 77 77 PHE CA C 13 57.745 0.1 . 1 . 419 . . 77 PHE CA . 19088 1 256 . 1 1 77 77 PHE N N 15 126.550 0.1 . 1 . 34 . . 77 PHE N . 19088 1 257 . 1 1 78 78 TRP H H 1 10.813 0.01 . 1 . 7 . . 78 TRP H . 19088 1 258 . 1 1 78 78 TRP C C 13 176.461 0.1 . 1 . 577 . . 78 TRP C . 19088 1 259 . 1 1 78 78 TRP CA C 13 57.345 0.1 . 1 . 400 . . 78 TRP CA . 19088 1 260 . 1 1 78 78 TRP N N 15 130.592 0.1 . 1 . 8 . . 78 TRP N . 19088 1 261 . 1 1 79 79 HIS H H 1 9.315 0.01 . 1 . 71 . . 79 HIS H . 19088 1 262 . 1 1 79 79 HIS C C 13 175.392 0.1 . 1 . 578 . . 79 HIS C . 19088 1 263 . 1 1 79 79 HIS CA C 13 58.916 0.1 . 1 . 401 . . 79 HIS CA . 19088 1 264 . 1 1 79 79 HIS N N 15 124.245 0.1 . 1 . 72 . . 79 HIS N . 19088 1 265 . 1 1 80 80 TRP H H 1 8.369 0.01 . 1 . 382 . . 80 TRP H . 19088 1 266 . 1 1 80 80 TRP C C 13 174.978 0.1 . 1 . 579 . . 80 TRP C . 19088 1 267 . 1 1 80 80 TRP CA C 13 54.739 0.1 . 1 . 402 . . 80 TRP CA . 19088 1 268 . 1 1 80 80 TRP N N 15 119.720 0.1 . 1 . 383 . . 80 TRP N . 19088 1 269 . 1 1 81 81 ALA H H 1 8.264 0.01 . 1 . 11 . . 81 ALA H . 19088 1 270 . 1 1 81 81 ALA C C 13 172.632 0.1 . 1 . 580 . . 81 ALA C . 19088 1 271 . 1 1 81 81 ALA CA C 13 52.499 0.1 . 1 . 403 . . 81 ALA CA . 19088 1 272 . 1 1 81 81 ALA N N 15 129.550 0.1 . 1 . 12 . . 81 ALA N . 19088 1 273 . 1 1 82 82 VAL H H 1 8.989 0.01 . 1 . 69 . . 82 VAL H . 19088 1 274 . 1 1 82 82 VAL C C 13 174.560 0.1 . 1 . 581 . . 82 VAL C . 19088 1 275 . 1 1 82 82 VAL CA C 13 60.106 0.1 . 1 . 404 . . 82 VAL CA . 19088 1 276 . 1 1 82 82 VAL N N 15 124.406 0.1 . 1 . 70 . . 82 VAL N . 19088 1 277 . 1 1 83 83 ALA H H 1 9.393 0.01 . 1 . 41 . . 83 ALA H . 19088 1 278 . 1 1 83 83 ALA C C 13 175.281 0.1 . 1 . 582 . . 83 ALA C . 19088 1 279 . 1 1 83 83 ALA CA C 13 49.378 0.1 . 1 . 405 . . 83 ALA CA . 19088 1 280 . 1 1 83 83 ALA N N 15 125.888 0.1 . 1 . 42 . . 83 ALA N . 19088 1 281 . 1 1 84 84 ASN H H 1 8.614 0.01 . 1 . 235 . . 84 ASN H . 19088 1 282 . 1 1 84 84 ASN C C 13 175.750 0.1 . 1 . 583 . . 84 ASN C . 19088 1 283 . 1 1 84 84 ASN CA C 13 53.572 0.1 . 1 . 406 . . 84 ASN CA . 19088 1 284 . 1 1 84 84 ASN N N 15 113.744 0.1 . 1 . 236 . . 84 ASN N . 19088 1 285 . 1 1 85 85 LEU H H 1 8.470 0.01 . 1 . 135 . . 85 LEU H . 19088 1 286 . 1 1 85 85 LEU CA C 13 53.327 0.1 . 1 . 470 . . 85 LEU CA . 19088 1 287 . 1 1 85 85 LEU N N 15 120.931 0.1 . 1 . 136 . . 85 LEU N . 19088 1 288 . 1 1 86 86 PRO C C 13 175.718 0.1 . 1 . 584 . . 86 PRO C . 19088 1 289 . 1 1 87 87 ALA H H 1 7.568 0.01 . 1 . 173 . . 87 ALA H . 19088 1 290 . 1 1 87 87 ALA C C 13 176.064 0.1 . 1 . 585 . . 87 ALA C . 19088 1 291 . 1 1 87 87 ALA CA C 13 53.407 0.1 . 1 . 484 . . 87 ALA CA . 19088 1 292 . 1 1 87 87 ALA N N 15 118.461 0.1 . 1 . 174 . . 87 ALA N . 19088 1 293 . 1 1 88 88 ASN H H 1 7.608 0.01 . 1 . 293 . . 88 ASN H . 19088 1 294 . 1 1 88 88 ASN C C 13 175.331 0.1 . 1 . 586 . . 88 ASN C . 19088 1 295 . 1 1 88 88 ASN CA C 13 52.524 0.1 . 1 . 485 . . 88 ASN CA . 19088 1 296 . 1 1 88 88 ASN N N 15 109.412 0.1 . 1 . 294 . . 88 ASN N . 19088 1 297 . 1 1 89 89 VAL H H 1 8.261 0.01 . 1 . 37 . . 89 VAL H . 19088 1 298 . 1 1 89 89 VAL C C 13 172.666 0.1 . 1 . 587 . . 89 VAL C . 19088 1 299 . 1 1 89 89 VAL CA C 13 62.937 0.1 . 1 . 420 . . 89 VAL CA . 19088 1 300 . 1 1 89 89 VAL N N 15 126.253 0.1 . 1 . 38 . . 89 VAL N . 19088 1 301 . 1 1 90 90 THR H H 1 7.529 0.01 . 1 . 281 . . 90 THR H . 19088 1 302 . 1 1 90 90 THR C C 13 171.348 0.1 . 1 . 588 . . 90 THR C . 19088 1 303 . 1 1 90 90 THR CA C 13 58.372 0.1 . 1 . 421 . . 90 THR CA . 19088 1 304 . 1 1 90 90 THR N N 15 110.565 0.1 . 1 . 282 . . 90 THR N . 19088 1 305 . 1 1 91 91 GLU H H 1 6.643 0.01 . 1 . 209 . . 91 GLU H . 19088 1 306 . 1 1 91 91 GLU C C 13 174.538 0.1 . 1 . 589 . . 91 GLU C . 19088 1 307 . 1 1 91 91 GLU CA C 13 54.266 0.1 . 1 . 422 . . 91 GLU CA . 19088 1 308 . 1 1 91 91 GLU N N 15 115.810 0.1 . 1 . 210 . . 91 GLU N . 19088 1 309 . 1 1 92 92 LEU H H 1 9.146 0.01 . 1 . 317 . . 92 LEU H . 19088 1 310 . 1 1 92 92 LEU CA C 13 50.664 0.1 . 1 . 423 . . 92 LEU CA . 19088 1 311 . 1 1 92 92 LEU N N 15 122.605 0.1 . 1 . 318 . . 92 LEU N . 19088 1 312 . 1 1 93 93 PRO C C 13 176.856 0.1 . 1 . 590 . . 93 PRO C . 19088 1 313 . 1 1 94 94 GLU H H 1 8.989 0.01 . 1 . 331 . . 94 GLU H . 19088 1 314 . 1 1 94 94 GLU C C 13 178.041 0.1 . 1 . 591 . . 94 GLU C . 19088 1 315 . 1 1 94 94 GLU CA C 13 57.007 0.1 . 1 . 503 . . 94 GLU CA . 19088 1 316 . 1 1 94 94 GLU N N 15 124.221 0.1 . 1 . 332 . . 94 GLU N . 19088 1 317 . 1 1 95 95 GLY H H 1 9.099 0.01 . 1 . 225 . . 95 GLY H . 19088 1 318 . 1 1 95 95 GLY C C 13 174.981 0.1 . 1 . 592 . . 95 GLY C . 19088 1 319 . 1 1 95 95 GLY CA C 13 45.549 0.1 . 1 . 350 . . 95 GLY CA . 19088 1 320 . 1 1 95 95 GLY N N 15 114.109 0.1 . 1 . 226 . . 95 GLY N . 19088 1 321 . 1 1 96 96 VAL H H 1 6.803 0.01 . 1 . 215 . . 96 VAL H . 19088 1 322 . 1 1 96 96 VAL C C 13 175.876 0.1 . 1 . 593 . . 96 VAL C . 19088 1 323 . 1 1 96 96 VAL CA C 13 63.387 0.1 . 1 . 351 . . 96 VAL CA . 19088 1 324 . 1 1 96 96 VAL N N 15 114.874 0.1 . 1 . 216 . . 96 VAL N . 19088 1 325 . 1 1 97 97 GLY H H 1 8.726 0.01 . 1 . 271 . . 97 GLY H . 19088 1 326 . 1 1 97 97 GLY C C 13 173.211 0.1 . 1 . 594 . . 97 GLY C . 19088 1 327 . 1 1 97 97 GLY CA C 13 47.586 0.1 . 1 . 352 . . 97 GLY CA . 19088 1 328 . 1 1 97 97 GLY N N 15 111.007 0.1 . 1 . 272 . . 97 GLY N . 19088 1 329 . 1 1 98 98 ASP H H 1 7.863 0.01 . 1 . 161 . . 98 ASP H . 19088 1 330 . 1 1 98 98 ASP C C 13 175.770 0.1 . 1 . 595 . . 98 ASP C . 19088 1 331 . 1 1 98 98 ASP CA C 13 53.475 0.1 . 1 . 353 . . 98 ASP CA . 19088 1 332 . 1 1 98 98 ASP N N 15 119.339 0.1 . 1 . 162 . . 98 ASP N . 19088 1 333 . 1 1 99 99 GLY H H 1 8.885 0.01 . 1 . 297 . . 99 GLY H . 19088 1 334 . 1 1 99 99 GLY C C 13 175.041 0.1 . 1 . 596 . . 99 GLY C . 19088 1 335 . 1 1 99 99 GLY CA C 13 44.331 0.1 . 1 . 354 . . 99 GLY CA . 19088 1 336 . 1 1 99 99 GLY N N 15 108.815 0.1 . 1 . 298 . . 99 GLY N . 19088 1 337 . 1 1 100 100 ARG H H 1 7.753 0.01 . 1 . 145 . . 100 ARG H . 19088 1 338 . 1 1 100 100 ARG C C 13 175.764 0.1 . 1 . 597 . . 100 ARG C . 19088 1 339 . 1 1 100 100 ARG CA C 13 55.493 0.1 . 1 . 357 . . 100 ARG CA . 19088 1 340 . 1 1 100 100 ARG N N 15 120.202 0.1 . 1 . 146 . . 100 ARG N . 19088 1 341 . 1 1 101 101 GLU H H 1 8.790 0.01 . 1 . 109 . . 101 GLU H . 19088 1 342 . 1 1 101 101 GLU C C 13 176.131 0.1 . 1 . 598 . . 101 GLU C . 19088 1 343 . 1 1 101 101 GLU CA C 13 57.505 0.1 . 1 . 358 . . 101 GLU CA . 19088 1 344 . 1 1 101 101 GLU N N 15 122.341 0.1 . 1 . 110 . . 101 GLU N . 19088 1 345 . 1 1 102 102 LEU H H 1 8.767 0.01 . 1 . 25 . . 102 LEU H . 19088 1 346 . 1 1 102 102 LEU CA C 13 52.598 0.1 . 1 . 458 . . 102 LEU CA . 19088 1 347 . 1 1 102 102 LEU N N 15 127.120 0.1 . 1 . 26 . . 102 LEU N . 19088 1 348 . 1 1 103 103 PRO C C 13 177.002 0.1 . 1 . 599 . . 103 PRO C . 19088 1 349 . 1 1 104 104 GLY H H 1 8.563 0.01 . 1 . 309 . . 104 GLY H . 19088 1 350 . 1 1 104 104 GLY C C 13 175.667 0.1 . 1 . 600 . . 104 GLY C . 19088 1 351 . 1 1 104 104 GLY CA C 13 46.491 0.1 . 1 . 345 . . 104 GLY CA . 19088 1 352 . 1 1 104 104 GLY N N 15 106.240 0.1 . 1 . 310 . . 104 GLY N . 19088 1 353 . 1 1 105 105 GLY H H 1 8.498 0.01 . 1 . 299 . . 105 GLY H . 19088 1 354 . 1 1 105 105 GLY C C 13 174.832 0.1 . 1 . 601 . . 105 GLY C . 19088 1 355 . 1 1 105 105 GLY CA C 13 45.750 0.1 . 1 . 346 . . 105 GLY CA . 19088 1 356 . 1 1 105 105 GLY N N 15 108.148 0.1 . 1 . 300 . . 105 GLY N . 19088 1 357 . 1 1 106 106 ALA H H 1 6.877 0.01 . 1 . 129 . . 106 ALA H . 19088 1 358 . 1 1 106 106 ALA C C 13 175.540 0.1 . 1 . 602 . . 106 ALA C . 19088 1 359 . 1 1 106 106 ALA CA C 13 53.165 0.1 . 1 . 378 . . 106 ALA CA . 19088 1 360 . 1 1 106 106 ALA N N 15 121.436 0.1 . 1 . 130 . . 106 ALA N . 19088 1 361 . 1 1 107 107 LEU H H 1 8.400 0.01 . 1 . 77 . . 107 LEU H . 19088 1 362 . 1 1 107 107 LEU C C 13 175.232 0.1 . 1 . 603 . . 107 LEU C . 19088 1 363 . 1 1 107 107 LEU CA C 13 53.832 0.1 . 1 . 379 . . 107 LEU CA . 19088 1 364 . 1 1 107 107 LEU N N 15 124.180 0.1 . 1 . 78 . . 107 LEU N . 19088 1 365 . 1 1 108 108 THR H H 1 8.622 0.01 . 1 . 93 . . 108 THR H . 19088 1 366 . 1 1 108 108 THR C C 13 174.171 0.1 . 1 . 604 . . 108 THR C . 19088 1 367 . 1 1 108 108 THR CA C 13 62.598 0.1 . 1 . 443 . . 108 THR CA . 19088 1 368 . 1 1 108 108 THR N N 15 123.531 0.1 . 1 . 94 . . 108 THR N . 19088 1 369 . 1 1 109 109 LEU H H 1 8.649 0.01 . 1 . 39 . . 109 LEU H . 19088 1 370 . 1 1 109 109 LEU C C 13 176.238 0.1 . 1 . 605 . . 109 LEU C . 19088 1 371 . 1 1 109 109 LEU CA C 13 53.410 0.1 . 1 . 424 . . 109 LEU CA . 19088 1 372 . 1 1 109 109 LEU N N 15 125.966 0.1 . 1 . 40 . . 109 LEU N . 19088 1 373 . 1 1 110 110 VAL H H 1 9.035 0.01 . 1 . 107 . . 110 VAL H . 19088 1 374 . 1 1 110 110 VAL C C 13 176.021 0.1 . 1 . 606 . . 110 VAL C . 19088 1 375 . 1 1 110 110 VAL CA C 13 64.317 0.1 . 1 . 425 . . 110 VAL CA . 19088 1 376 . 1 1 110 110 VAL N N 15 122.324 0.1 . 1 . 108 . . 110 VAL N . 19088 1 377 . 1 1 111 111 ASN H H 1 7.992 0.01 . 1 . 67 . . 111 ASN H . 19088 1 378 . 1 1 111 111 ASN C C 13 176.548 0.1 . 1 . 607 . . 111 ASN C . 19088 1 379 . 1 1 111 111 ASN CA C 13 51.298 0.1 . 1 . 361 . . 111 ASN CA . 19088 1 380 . 1 1 111 111 ASN N N 15 124.369 0.1 . 1 . 68 . . 111 ASN N . 19088 1 381 . 1 1 112 112 ASP H H 1 7.692 0.01 . 1 . 229 . . 112 ASP H . 19088 1 382 . 1 1 112 112 ASP C C 13 176.525 0.1 . 1 . 608 . . 112 ASP C . 19088 1 383 . 1 1 112 112 ASP CA C 13 57.992 0.1 . 1 . 439 . . 112 ASP CA . 19088 1 384 . 1 1 112 112 ASP N N 15 113.952 0.1 . 1 . 230 . . 112 ASP N . 19088 1 385 . 1 1 113 113 ALA H H 1 7.732 0.01 . 1 . 355 . . 113 ALA H . 19088 1 386 . 1 1 113 113 ALA C C 13 176.913 0.1 . 1 . 609 . . 113 ALA C . 19088 1 387 . 1 1 113 113 ALA CA C 13 50.921 0.1 . 1 . 440 . . 113 ALA CA . 19088 1 388 . 1 1 113 113 ALA N N 15 120.281 0.1 . 1 . 356 . . 113 ALA N . 19088 1 389 . 1 1 114 114 GLY H H 1 7.977 0.01 . 1 . 305 . . 114 GLY H . 19088 1 390 . 1 1 114 114 GLY C C 13 174.800 0.1 . 1 . 610 . . 114 GLY C . 19088 1 391 . 1 1 114 114 GLY CA C 13 45.923 0.1 . 1 . 441 . . 114 GLY CA . 19088 1 392 . 1 1 114 114 GLY N N 15 106.679 0.1 . 1 . 306 . . 114 GLY N . 19088 1 393 . 1 1 115 115 MET H H 1 7.343 0.01 . 1 . 211 . . 115 MET H . 19088 1 394 . 1 1 115 115 MET C C 13 174.498 0.1 . 1 . 611 . . 115 MET C . 19088 1 395 . 1 1 115 115 MET CA C 13 53.974 0.1 . 1 . 492 . . 115 MET CA . 19088 1 396 . 1 1 115 115 MET N N 15 115.738 0.1 . 1 . 212 . . 115 MET N . 19088 1 397 . 1 1 116 116 ARG H H 1 9.255 0.01 . 1 . 9 . . 116 ARG H . 19088 1 398 . 1 1 116 116 ARG C C 13 174.024 0.1 . 1 . 612 . . 116 ARG C . 19088 1 399 . 1 1 116 116 ARG CA C 13 54.160 0.1 . 1 . 509 . . 116 ARG CA . 19088 1 400 . 1 1 116 116 ARG N N 15 130.440 0.1 . 1 . 10 . . 116 ARG N . 19088 1 401 . 1 1 117 117 ARG H H 1 7.691 0.01 . 1 . 249 . . 117 ARG H . 19088 1 402 . 1 1 117 117 ARG C C 13 174.632 0.1 . 1 . 613 . . 117 ARG C . 19088 1 403 . 1 1 117 117 ARG CA C 13 55.473 0.1 . 1 . 498 . . 117 ARG CA . 19088 1 404 . 1 1 117 117 ARG N N 15 112.737 0.1 . 1 . 250 . . 117 ARG N . 19088 1 405 . 1 1 118 118 TYR H H 1 9.564 0.01 . 1 . 97 . . 118 TYR H . 19088 1 406 . 1 1 118 118 TYR C C 13 175.419 0.1 . 1 . 614 . . 118 TYR C . 19088 1 407 . 1 1 118 118 TYR CA C 13 59.021 0.1 . 1 . 455 . . 118 TYR CA . 19088 1 408 . 1 1 118 118 TYR N N 15 122.699 0.1 . 1 . 98 . . 118 TYR N . 19088 1 409 . 1 1 119 119 VAL H H 1 7.676 0.01 . 1 . 17 . . 119 VAL H . 19088 1 410 . 1 1 119 119 VAL C C 13 175.163 0.1 . 1 . 615 . . 119 VAL C . 19088 1 411 . 1 1 119 119 VAL CA C 13 59.571 0.1 . 1 . 364 . . 119 VAL CA . 19088 1 412 . 1 1 119 119 VAL N N 15 128.857 0.1 . 1 . 18 . . 119 VAL N . 19088 1 413 . 1 1 120 120 GLY H H 1 9.428 0.01 . 1 . 265 . . 120 GLY H . 19088 1 414 . 1 1 120 120 GLY C C 13 171.561 0.1 . 1 . 616 . . 120 GLY C . 19088 1 415 . 1 1 120 120 GLY CA C 13 44.690 0.1 . 1 . 365 . . 120 GLY CA . 19088 1 416 . 1 1 120 120 GLY N N 15 111.108 0.1 . 1 . 266 . . 120 GLY N . 19088 1 417 . 1 1 121 121 ALA H H 1 5.973 0.01 . 1 . 203 . . 121 ALA H . 19088 1 418 . 1 1 121 121 ALA C C 13 177.102 0.1 . 1 . 617 . . 121 ALA C . 19088 1 419 . 1 1 121 121 ALA CA C 13 52.989 0.1 . 1 . 366 . . 121 ALA CA . 19088 1 420 . 1 1 121 121 ALA N N 15 116.470 0.1 . 1 . 204 . . 121 ALA N . 19088 1 421 . 1 1 122 122 ALA H H 1 7.876 0.01 . 1 . 137 . . 122 ALA H . 19088 1 422 . 1 1 122 122 ALA CA C 13 51.571 0.1 . 1 . 367 . . 122 ALA CA . 19088 1 423 . 1 1 122 122 ALA N N 15 120.640 0.1 . 1 . 138 . . 122 ALA N . 19088 1 424 . 1 1 125 125 PRO C C 13 178.659 0.1 . 1 . 618 . . 125 PRO C . 19088 1 425 . 1 1 126 126 GLY H H 1 8.632 0.01 . 1 . 247 . . 126 GLY H . 19088 1 426 . 1 1 126 126 GLY C C 13 174.791 0.1 . 1 . 619 . . 126 GLY C . 19088 1 427 . 1 1 126 126 GLY CA C 13 46.202 0.1 . 1 . 497 . . 126 GLY CA . 19088 1 428 . 1 1 126 126 GLY N N 15 112.810 0.1 . 1 . 248 . . 126 GLY N . 19088 1 429 . 1 1 127 127 HIS H H 1 7.850 0.01 . 1 . 431 . . 127 HIS H . 19088 1 430 . 1 1 127 127 HIS C C 13 174.975 0.1 . 1 . 620 . . 127 HIS C . 19088 1 431 . 1 1 127 127 HIS CA C 13 57.509 0.1 . 1 . 505 . . 127 HIS CA . 19088 1 432 . 1 1 127 127 HIS N N 15 118.890 0.1 . 1 . 432 . . 127 HIS N . 19088 1 433 . 1 1 128 128 GLY H H 1 8.835 0.01 . 1 . 301 . . 128 GLY H . 19088 1 434 . 1 1 128 128 GLY C C 13 173.661 0.1 . 1 . 621 . . 128 GLY C . 19088 1 435 . 1 1 128 128 GLY CA C 13 43.137 0.1 . 1 . 502 . . 128 GLY CA . 19088 1 436 . 1 1 128 128 GLY N N 15 108.067 0.1 . 1 . 302 . . 128 GLY N . 19088 1 437 . 1 1 129 129 VAL H H 1 8.319 0.01 . 1 . 157 . . 129 VAL H . 19088 1 438 . 1 1 129 129 VAL C C 13 177.264 0.1 . 1 . 622 . . 129 VAL C . 19088 1 439 . 1 1 129 129 VAL CA C 13 63.643 0.1 . 1 . 474 . . 129 VAL CA . 19088 1 440 . 1 1 129 129 VAL N N 15 119.497 0.1 . 1 . 158 . . 129 VAL N . 19088 1 441 . 1 1 130 130 HIS H H 1 9.262 0.01 . 1 . 23 . . 130 HIS H . 19088 1 442 . 1 1 130 130 HIS C C 13 173.110 0.1 . 1 . 623 . . 130 HIS C . 19088 1 443 . 1 1 130 130 HIS CA C 13 53.665 0.1 . 1 . 475 . . 130 HIS CA . 19088 1 444 . 1 1 130 130 HIS N N 15 127.419 0.1 . 1 . 24 . . 130 HIS N . 19088 1 445 . 1 1 131 131 ARG H H 1 8.296 0.01 . 1 . 121 . . 131 ARG H . 19088 1 446 . 1 1 131 131 ARG C C 13 172.442 0.1 . 1 . 624 . . 131 ARG C . 19088 1 447 . 1 1 131 131 ARG CA C 13 54.020 0.1 . 1 . 507 . . 131 ARG CA . 19088 1 448 . 1 1 131 131 ARG N N 15 121.724 0.1 . 1 . 122 . . 131 ARG N . 19088 1 449 . 1 1 132 132 TYR H H 1 9.003 0.01 . 1 . 193 . . 132 TYR H . 19088 1 450 . 1 1 132 132 TYR C C 13 175.684 0.1 . 1 . 625 . . 132 TYR C . 19088 1 451 . 1 1 132 132 TYR CA C 13 57.162 0.1 . 1 . 490 . . 132 TYR CA . 19088 1 452 . 1 1 132 132 TYR N N 15 116.937 0.1 . 1 . 194 . . 132 TYR N . 19088 1 453 . 1 1 133 133 TYR H H 1 9.450 0.01 . 1 . 125 . . 133 TYR H . 19088 1 454 . 1 1 133 133 TYR C C 13 176.664 0.1 . 1 . 626 . . 133 TYR C . 19088 1 455 . 1 1 133 133 TYR CA C 13 58.837 0.1 . 1 . 469 . . 133 TYR CA . 19088 1 456 . 1 1 133 133 TYR N N 15 121.558 0.1 . 1 . 126 . . 133 TYR N . 19088 1 457 . 1 1 134 134 VAL H H 1 10.183 0.01 . 1 . 5 . . 134 VAL H . 19088 1 458 . 1 1 134 134 VAL C C 13 172.832 0.1 . 1 . 627 . . 134 VAL C . 19088 1 459 . 1 1 134 134 VAL CA C 13 60.956 0.1 . 1 . 394 . . 134 VAL CA . 19088 1 460 . 1 1 134 134 VAL N N 15 130.617 0.1 . 1 . 6 . . 134 VAL N . 19088 1 461 . 1 1 135 135 ALA H H 1 9.014 0.01 . 1 . 43 . . 135 ALA H . 19088 1 462 . 1 1 135 135 ALA C C 13 177.105 0.1 . 1 . 628 . . 135 ALA C . 19088 1 463 . 1 1 135 135 ALA CA C 13 49.338 0.1 . 1 . 395 . . 135 ALA CA . 19088 1 464 . 1 1 135 135 ALA N N 15 125.654 0.1 . 1 . 44 . . 135 ALA N . 19088 1 465 . 1 1 136 136 VAL H H 1 8.834 0.01 . 1 . 127 . . 136 VAL H . 19088 1 466 . 1 1 136 136 VAL C C 13 176.037 0.1 . 1 . 629 . . 136 VAL C . 19088 1 467 . 1 1 136 136 VAL CA C 13 60.430 0.1 . 1 . 396 . . 136 VAL CA . 19088 1 468 . 1 1 136 136 VAL N N 15 121.473 0.1 . 1 . 128 . . 136 VAL N . 19088 1 469 . 1 1 137 137 HIS H H 1 9.340 0.01 . 1 . 113 . . 137 HIS H . 19088 1 470 . 1 1 137 137 HIS C C 13 174.765 0.1 . 1 . 630 . . 137 HIS C . 19088 1 471 . 1 1 137 137 HIS CA C 13 56.260 0.1 . 1 . 397 . . 137 HIS CA . 19088 1 472 . 1 1 137 137 HIS N N 15 122.294 0.1 . 1 . 114 . . 137 HIS N . 19088 1 473 . 1 1 138 138 ALA H H 1 8.644 0.01 . 1 . 329 . . 138 ALA H . 19088 1 474 . 1 1 138 138 ALA C C 13 175.891 0.1 . 1 . 631 . . 138 ALA C . 19088 1 475 . 1 1 138 138 ALA CA C 13 51.269 0.1 . 1 . 398 . . 138 ALA CA . 19088 1 476 . 1 1 138 138 ALA N N 15 125.954 0.1 . 1 . 330 . . 138 ALA N . 19088 1 477 . 1 1 139 139 VAL H H 1 9.069 0.01 . 1 . 31 . . 139 VAL H . 19088 1 478 . 1 1 139 139 VAL C C 13 176.271 0.1 . 1 . 632 . . 139 VAL C . 19088 1 479 . 1 1 139 139 VAL CA C 13 62.250 0.1 . 1 . 362 . . 139 VAL CA . 19088 1 480 . 1 1 139 139 VAL N N 15 126.669 0.1 . 1 . 32 . . 139 VAL N . 19088 1 481 . 1 1 140 140 LYS H H 1 8.414 0.01 . 1 . 333 . . 140 LYS H . 19088 1 482 . 1 1 140 140 LYS C C 13 174.057 0.1 . 1 . 633 . . 140 LYS C . 19088 1 483 . 1 1 140 140 LYS CA C 13 57.814 0.1 . 1 . 363 . . 140 LYS CA . 19088 1 484 . 1 1 140 140 LYS N N 15 124.074 0.1 . 1 . 334 . . 140 LYS N . 19088 1 485 . 1 1 141 141 VAL H H 1 6.501 0.01 . 1 . 283 . . 141 VAL H . 19088 1 486 . 1 1 141 141 VAL C C 13 174.314 0.1 . 1 . 634 . . 141 VAL C . 19088 1 487 . 1 1 141 141 VAL CA C 13 58.726 0.1 . 1 . 399 . . 141 VAL CA . 19088 1 488 . 1 1 141 141 VAL N N 15 110.460 0.1 . 1 . 284 . . 141 VAL N . 19088 1 489 . 1 1 142 142 GLU H H 1 9.041 0.01 . 1 . 83 . . 142 GLU H . 19088 1 490 . 1 1 142 142 GLU C C 13 174.903 0.1 . 1 . 635 . . 142 GLU C . 19088 1 491 . 1 1 142 142 GLU CA C 13 58.823 0.1 . 1 . 511 . . 142 GLU CA . 19088 1 492 . 1 1 142 142 GLU N N 15 123.901 0.1 . 1 . 84 . . 142 GLU N . 19088 1 493 . 1 1 143 143 LYS H H 1 7.359 0.01 . 1 . 231 . . 143 LYS H . 19088 1 494 . 1 1 143 143 LYS C C 13 175.715 0.1 . 1 . 636 . . 143 LYS C . 19088 1 495 . 1 1 143 143 LYS CA C 13 54.551 0.1 . 1 . 496 . . 143 LYS CA . 19088 1 496 . 1 1 143 143 LYS N N 15 113.905 0.1 . 1 . 232 . . 143 LYS N . 19088 1 497 . 1 1 144 144 LEU H H 1 9.018 0.01 . 1 . 57 . . 144 LEU H . 19088 1 498 . 1 1 144 144 LEU C C 13 177.168 0.1 . 1 . 637 . . 144 LEU C . 19088 1 499 . 1 1 144 144 LEU CA C 13 53.797 0.1 . 1 . 436 . . 144 LEU CA . 19088 1 500 . 1 1 144 144 LEU N N 15 125.020 0.1 . 1 . 58 . . 144 LEU N . 19088 1 501 . 1 1 145 145 ASP H H 1 9.030 0.01 . 1 . 327 . . 145 ASP H . 19088 1 502 . 1 1 145 145 ASP C C 13 174.595 0.1 . 1 . 638 . . 145 ASP C . 19088 1 503 . 1 1 145 145 ASP CA C 13 53.406 0.1 . 1 . 437 . . 145 ASP CA . 19088 1 504 . 1 1 145 145 ASP N N 15 125.508 0.1 . 1 . 328 . . 145 ASP N . 19088 1 505 . 1 1 146 146 LEU H H 1 7.416 0.01 . 1 . 75 . . 146 LEU H . 19088 1 506 . 1 1 146 146 LEU CA C 13 50.806 0.1 . 1 . 438 . . 146 LEU CA . 19088 1 507 . 1 1 146 146 LEU N N 15 124.236 0.1 . 1 . 76 . . 146 LEU N . 19088 1 508 . 1 1 147 147 PRO C C 13 176.795 0.1 . 1 . 639 . . 147 PRO C . 19088 1 509 . 1 1 148 148 GLU H H 1 8.774 0.01 . 1 . 165 . . 148 GLU H . 19088 1 510 . 1 1 148 148 GLU C C 13 177.642 0.1 . 1 . 640 . . 148 GLU C . 19088 1 511 . 1 1 148 148 GLU CA C 13 59.130 0.1 . 1 . 481 . . 148 GLU CA . 19088 1 512 . 1 1 148 148 GLU N N 15 118.942 0.1 . 1 . 166 . . 148 GLU N . 19088 1 513 . 1 1 149 149 ASP H H 1 8.238 0.01 . 1 . 191 . . 149 ASP H . 19088 1 514 . 1 1 149 149 ASP C C 13 175.140 0.1 . 1 . 641 . . 149 ASP C . 19088 1 515 . 1 1 149 149 ASP CA C 13 52.618 0.1 . 1 . 482 . . 149 ASP CA . 19088 1 516 . 1 1 149 149 ASP N N 15 117.101 0.1 . 1 . 192 . . 149 ASP N . 19088 1 517 . 1 1 150 150 ALA H H 1 7.401 0.01 . 1 . 123 . . 150 ALA H . 19088 1 518 . 1 1 150 150 ALA C C 13 176.437 0.1 . 1 . 642 . . 150 ALA C . 19088 1 519 . 1 1 150 150 ALA CA C 13 51.975 0.1 . 1 . 510 . . 150 ALA CA . 19088 1 520 . 1 1 150 150 ALA N N 15 121.784 0.1 . 1 . 124 . . 150 ALA N . 19088 1 521 . 1 1 151 151 SER H H 1 8.788 0.01 . 1 . 185 . . 151 SER H . 19088 1 522 . 1 1 151 151 SER CA C 13 55.444 0.1 . 1 . 487 . . 151 SER CA . 19088 1 523 . 1 1 151 151 SER N N 15 117.594 0.1 . 1 . 186 . . 151 SER N . 19088 1 524 . 1 1 152 152 PRO C C 13 177.788 0.1 . 1 . 643 . . 152 PRO C . 19088 1 525 . 1 1 153 153 ALA H H 1 8.546 0.01 . 1 . 167 . . 153 ALA H . 19088 1 526 . 1 1 153 153 ALA C C 13 179.553 0.1 . 1 . 644 . . 153 ALA C . 19088 1 527 . 1 1 153 153 ALA CA C 13 55.584 0.1 . 1 . 483 . . 153 ALA CA . 19088 1 528 . 1 1 153 153 ALA N N 15 118.946 0.1 . 1 . 168 . . 153 ALA N . 19088 1 529 . 1 1 154 154 TYR H H 1 8.160 0.01 . 1 . 119 . . 154 TYR H . 19088 1 530 . 1 1 154 154 TYR C C 13 178.530 0.1 . 1 . 646 . . 154 TYR C . 19088 1 531 . 1 1 154 154 TYR CA C 13 62.155 0.1 . 1 . 468 . . 154 TYR CA . 19088 1 532 . 1 1 154 154 TYR N N 15 121.809 0.1 . 1 . 120 . . 154 TYR N . 19088 1 533 . 1 1 155 155 LEU H H 1 8.021 0.01 . 1 . 111 . . 155 LEU H . 19088 1 534 . 1 1 155 155 LEU C C 13 178.286 0.1 . 1 . 645 . . 155 LEU C . 19088 1 535 . 1 1 155 155 LEU CA C 13 59.084 0.1 . 1 . 459 . . 155 LEU CA . 19088 1 536 . 1 1 155 155 LEU N N 15 122.372 0.1 . 1 . 112 . . 155 LEU N . 19088 1 537 . 1 1 156 156 GLY H H 1 9.167 0.01 . 1 . 285 . . 156 GLY H . 19088 1 538 . 1 1 156 156 GLY C C 13 177.233 0.1 . 1 . 647 . . 156 GLY C . 19088 1 539 . 1 1 156 156 GLY CA C 13 47.932 0.1 . 1 . 460 . . 156 GLY CA . 19088 1 540 . 1 1 156 156 GLY N N 15 110.248 0.1 . 1 . 286 . . 156 GLY N . 19088 1 541 . 1 1 157 157 PHE H H 1 8.918 0.01 . 1 . 53 . . 157 PHE H . 19088 1 542 . 1 1 157 157 PHE C C 13 177.167 0.1 . 1 . 648 . . 157 PHE C . 19088 1 543 . 1 1 157 157 PHE CA C 13 61.098 0.1 . 1 . 433 . . 157 PHE CA . 19088 1 544 . 1 1 157 157 PHE N N 15 125.300 0.1 . 1 . 54 . . 157 PHE N . 19088 1 545 . 1 1 158 158 ASN H H 1 7.831 0.01 . 1 . 169 . . 158 ASN H . 19088 1 546 . 1 1 158 158 ASN C C 13 178.017 0.1 . 1 . 649 . . 158 ASN C . 19088 1 547 . 1 1 158 158 ASN CA C 13 57.283 0.1 . 1 . 434 . . 158 ASN CA . 19088 1 548 . 1 1 158 158 ASN N N 15 118.894 0.1 . 1 . 170 . . 158 ASN N . 19088 1 549 . 1 1 159 159 LEU H H 1 8.800 0.01 . 1 . 133 . . 159 LEU H . 19088 1 550 . 1 1 159 159 LEU C C 13 178.390 0.1 . 1 . 650 . . 159 LEU C . 19088 1 551 . 1 1 159 159 LEU CA C 13 57.060 0.1 . 1 . 435 . . 159 LEU CA . 19088 1 552 . 1 1 159 159 LEU N N 15 120.998 0.1 . 1 . 134 . . 159 LEU N . 19088 1 553 . 1 1 160 160 PHE H H 1 7.891 0.01 . 1 . 117 . . 160 PHE H . 19088 1 554 . 1 1 160 160 PHE C C 13 176.650 0.1 . 1 . 651 . . 160 PHE C . 19088 1 555 . 1 1 160 160 PHE CA C 13 60.401 0.1 . 1 . 465 . . 160 PHE CA . 19088 1 556 . 1 1 160 160 PHE N N 15 121.953 0.1 . 1 . 118 . . 160 PHE N . 19088 1 557 . 1 1 161 161 GLN H H 1 6.775 0.01 . 1 . 223 . . 161 GLN H . 19088 1 558 . 1 1 161 161 GLN C C 13 178.215 0.1 . 1 . 652 . . 161 GLN C . 19088 1 559 . 1 1 161 161 GLN CA C 13 57.852 0.1 . 1 . 466 . . 161 GLN CA . 19088 1 560 . 1 1 161 161 GLN N N 15 114.160 0.1 . 1 . 224 . . 161 GLN N . 19088 1 561 . 1 1 162 162 HIS H H 1 7.908 0.01 . 1 . 257 . . 162 HIS H . 19088 1 562 . 1 1 162 162 HIS C C 13 175.621 0.1 . 1 . 653 . . 162 HIS C . 19088 1 563 . 1 1 162 162 HIS CA C 13 56.923 0.1 . 1 . 467 . . 162 HIS CA . 19088 1 564 . 1 1 162 162 HIS N N 15 112.444 0.1 . 1 . 258 . . 162 HIS N . 19088 1 565 . 1 1 163 163 ALA H H 1 9.130 0.01 . 1 . 115 . . 163 ALA H . 19088 1 566 . 1 1 163 163 ALA C C 13 177.942 0.1 . 1 . 654 . . 163 ALA C . 19088 1 567 . 1 1 163 163 ALA CA C 13 52.498 0.1 . 1 . 461 . . 163 ALA CA . 19088 1 568 . 1 1 163 163 ALA N N 15 122.186 0.1 . 1 . 116 . . 163 ALA N . 19088 1 569 . 1 1 164 164 ILE H H 1 8.975 0.01 . 1 . 275 . . 164 ILE H . 19088 1 570 . 1 1 164 164 ILE C C 13 175.080 0.1 . 1 . 655 . . 164 ILE C . 19088 1 571 . 1 1 164 164 ILE CA C 13 60.874 0.1 . 1 . 462 . . 164 ILE CA . 19088 1 572 . 1 1 164 164 ILE N N 15 110.801 0.1 . 1 . 276 . . 164 ILE N . 19088 1 573 . 1 1 165 165 ALA H H 1 8.031 0.01 . 1 . 149 . . 165 ALA H . 19088 1 574 . 1 1 165 165 ALA C C 13 175.550 0.1 . 1 . 656 . . 165 ALA C . 19088 1 575 . 1 1 165 165 ALA CA C 13 52.835 0.1 . 1 . 463 . . 165 ALA CA . 19088 1 576 . 1 1 165 165 ALA N N 15 119.863 0.1 . 1 . 150 . . 165 ALA N . 19088 1 577 . 1 1 166 166 ARG H H 1 9.072 0.01 . 1 . 131 . . 166 ARG H . 19088 1 578 . 1 1 166 166 ARG C C 13 171.467 0.1 . 1 . 657 . . 166 ARG C . 19088 1 579 . 1 1 166 166 ARG CA C 13 55.777 0.1 . 1 . 464 . . 166 ARG CA . 19088 1 580 . 1 1 166 166 ARG N N 15 121.231 0.1 . 1 . 132 . . 166 ARG N . 19088 1 581 . 1 1 167 167 ALA H H 1 8.245 0.01 . 1 . 15 . . 167 ALA H . 19088 1 582 . 1 1 167 167 ALA C C 13 175.078 0.1 . 1 . 658 . . 167 ALA C . 19088 1 583 . 1 1 167 167 ALA CA C 13 50.329 0.1 . 1 . 407 . . 167 ALA CA . 19088 1 584 . 1 1 167 167 ALA N N 15 129.199 0.1 . 1 . 16 . . 167 ALA N . 19088 1 585 . 1 1 168 168 VAL H H 1 8.129 0.01 . 1 . 141 . . 168 VAL H . 19088 1 586 . 1 1 168 168 VAL C C 13 175.902 0.1 . 1 . 659 . . 168 VAL C . 19088 1 587 . 1 1 168 168 VAL CA C 13 61.090 0.1 . 1 . 408 . . 168 VAL CA . 19088 1 588 . 1 1 168 168 VAL N N 15 120.506 0.1 . 1 . 142 . . 168 VAL N . 19088 1 589 . 1 1 169 169 ILE H H 1 9.097 0.01 . 1 . 103 . . 169 ILE H . 19088 1 590 . 1 1 169 169 ILE C C 13 173.884 0.1 . 1 . 660 . . 169 ILE C . 19088 1 591 . 1 1 169 169 ILE CA C 13 60.380 0.1 . 1 . 409 . . 169 ILE CA . 19088 1 592 . 1 1 169 169 ILE N N 15 122.469 0.1 . 1 . 104 . . 169 ILE N . 19088 1 593 . 1 1 170 170 PHE H H 1 8.935 0.01 . 1 . 189 . . 170 PHE H . 19088 1 594 . 1 1 170 170 PHE C C 13 173.082 0.1 . 1 . 661 . . 170 PHE C . 19088 1 595 . 1 1 170 170 PHE CA C 13 56.269 0.1 . 1 . 410 . . 170 PHE CA . 19088 1 596 . 1 1 170 170 PHE N N 15 117.248 0.1 . 1 . 190 . . 170 PHE N . 19088 1 597 . 1 1 171 171 GLY H H 1 8.083 0.01 . 1 . 315 . . 171 GLY H . 19088 1 598 . 1 1 171 171 GLY C C 13 173.479 0.1 . 1 . 662 . . 171 GLY C . 19088 1 599 . 1 1 171 171 GLY CA C 13 42.892 0.1 . 1 . 339 . . 171 GLY CA . 19088 1 600 . 1 1 171 171 GLY N N 15 104.734 0.1 . 1 . 316 . . 171 GLY N . 19088 1 601 . 1 1 172 172 THR H H 1 8.165 0.01 . 1 . 295 . . 172 THR H . 19088 1 602 . 1 1 172 172 THR C C 13 174.362 0.1 . 1 . 663 . . 172 THR C . 19088 1 603 . 1 1 172 172 THR CA C 13 59.817 0.1 . 1 . 340 . . 172 THR CA . 19088 1 604 . 1 1 172 172 THR N N 15 109.237 0.1 . 1 . 296 . . 172 THR N . 19088 1 605 . 1 1 173 173 TYR H H 1 9.288 0.01 . 1 . 171 . . 173 TYR H . 19088 1 606 . 1 1 173 173 TYR C C 13 172.081 0.1 . 1 . 664 . . 173 TYR C . 19088 1 607 . 1 1 173 173 TYR CA C 13 60.909 0.1 . 1 . 341 . . 173 TYR CA . 19088 1 608 . 1 1 173 173 TYR N N 15 118.543 0.1 . 1 . 172 . . 173 TYR N . 19088 1 609 . 1 1 174 174 GLU H H 1 6.412 0.01 . 1 . 85 . . 174 GLU H . 19088 1 610 . 1 1 174 174 GLU C C 13 172.653 0.1 . 1 . 665 . . 174 GLU C . 19088 1 611 . 1 1 174 174 GLU CA C 13 54.273 0.1 . 1 . 411 . . 174 GLU CA . 19088 1 612 . 1 1 174 174 GLU N N 15 123.888 0.1 . 1 . 86 . . 174 GLU N . 19088 1 613 . 1 1 175 175 GLN H H 1 9.154 0.01 . 1 . 89 . . 175 GLN H . 19088 1 614 . 1 1 175 175 GLN C C 13 174.538 0.1 . 1 . 666 . . 175 GLN C . 19088 1 615 . 1 1 175 175 GLN CA C 13 54.870 0.1 . 1 . 412 . . 175 GLN CA . 19088 1 616 . 1 1 175 175 GLN N N 15 123.758 0.1 . 1 . 90 . . 175 GLN N . 19088 1 617 . 1 1 176 176 ARG H H 1 8.547 0.01 . 1 . 1 . . 176 ARG H . 19088 1 618 . 1 1 176 176 ARG N N 15 133.046 0.1 . 1 . 2 . . 176 ARG N . 19088 1 stop_ save_