data_18797 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18797 _Entry.Title ; NMR structure of OmpX in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-21 _Entry.Accession_date 2012-10-21 _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 Franz Hagn . X. . 18797 2 Manuel Etzkorn . . . 18797 3 Thomas Raschle . . . 18797 4 Gerhard Wagner . . . 18797 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 PSI:Biology 'Membrane Protein Structures by Solution NMR' . 18797 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta barrel' . 18797 'E. Coli' . 18797 'Outer membrane protein X' . 18797 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18797 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 18797 '15N chemical shifts' 129 18797 '1H chemical shifts' 133 18797 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 3 . . 2013-02-18 2012-10-21 update BMRB 'update entry citation' 18797 2 . . 2012-12-19 2012-10-21 update BMRB ; update shifts: the following were changed to the corresponding carbonyl carbon: 49 SER H 174.13 52 ALA H 175.23 56 ASP H 175.60 94 GLU N 175.78 97 THR H 174.32 101 ASP H 176.04 ; 18797 1 . . 2012-12-10 2012-10-21 original author 'original release' 18797 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18796 'NMR resonance assignment of OmpX in phospholipid nanodiscs' 18797 BMRB 4936 'NMR resonance assignment of OmpX in DHPC micelles' 18797 PDB 1q9f 'NMR structure of OmpX in DHPC micelles' 18797 PDB 1qj8 'Crystal structure of OmpX' 18797 PDB 2m06 'NMR structure of OmpX in phospholipid nanodiscs' 18797 PDB 2M07 'BMRB Entry Tracking System' 18797 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18797 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23294159 _Citation.Full_citation . _Citation.Title 'Optimized phospholipid bilayer nanodiscs facilitate high-resolution structure determination of membrane proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 135 _Citation.Journal_issue 5 _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 1919 _Citation.Page_last 1925 _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 Franz Hagn . . . 18797 1 2 Manuel Etzkorn . . . 18797 1 3 Thomas Raschle . . . 18797 1 4 Gerhard Wagner . . . 18797 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18797 _Assembly.ID 1 _Assembly.Name 'OmpX in DPC micelles' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OmpX 1 $OmpX A . yes native no no . . . 18797 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OmpX _Entity.Sf_category entity _Entity.Sf_framecode OmpX _Entity.Entry_ID 18797 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OmpX _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 ; ATSTVTGGYAQSDAQGQMNK MGGFNLKYRYEEDNSPLGVI GSFTYTEKSRTASSGDYNKN QYYGITAGPAYRINDWASIY GVVGVGYGKFQTTEYPTYKH DTSDYGFSYGAGLQFNPMEN VALDFSYEQSRIRSVDVGTW IAGVGYRF ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16395.943 _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 15201 . Outer_membrane_protein_X . . . . . 100.00 148 100.00 100.00 1.00e-101 . . . . 18797 1 2 no BMRB 18796 . OmpX . . . . . 100.00 148 100.00 100.00 1.00e-101 . . . . 18797 1 3 no BMRB 19892 . OUTER_MEMBRANE_PROTEIN_X . . . . . 100.00 148 99.32 100.00 1.21e-100 . . . . 18797 1 4 no PDB 1ORM . "Nmr Fold Of The Outer Membrane Protein Ompx In Dhpc Micelles" . . . . . 99.32 148 99.32 100.00 7.27e-100 . . . . 18797 1 5 no PDB 1Q9F . "Nmr Structure Of The Outer Membrane Protein Ompx In Dhpc Micelles" . . . . . 100.00 148 99.32 100.00 1.21e-100 . . . . 18797 1 6 no PDB 1Q9G . "Nmr Structure Of The Outer Membrane Protein Ompx In Dhpc Micelles" . . . . . 100.00 148 99.32 100.00 1.21e-100 . . . . 18797 1 7 no PDB 1QJ8 . "Crystal Structure Of The Outer Membrane Protein Ompx From Escherichia Coli" . . . . . 100.00 148 99.32 100.00 1.21e-100 . . . . 18797 1 8 no PDB 1QJ9 . "Crystal Structure Of The Outer Membrane Protein Ompx From Escherichia Coli" . . . . . 100.00 148 99.32 100.00 1.21e-100 . . . . 18797 1 9 no PDB 2M06 . "Nmr Structure Of Ompx In Phopspholipid Nanodiscs" . . . . . 100.00 148 100.00 100.00 1.00e-101 . . . . 18797 1 10 no PDB 2M07 . "Nmr Structure Of Ompx In Dpc Micelles" . . . . . 100.00 148 100.00 100.00 1.00e-101 . . . . 18797 1 11 no PDB 2MNH . "Refined Structure Of Outer Membrane Protein X In Nanodisc By Measuring Residual Dipolar Couplings" . . . . . 100.00 148 99.32 100.00 1.21e-100 . . . . 18797 1 12 no DBJ BAA35486 . "outer membrane protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 13 no DBJ BAB34315 . "outer membrane protein X [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 14 no DBJ BAG76394 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 15 no DBJ BAI24257 . "outer membrane protein X [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 16 no DBJ BAI29701 . "outer membrane protein X [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 17 no EMBL CAP75284 . "Outer membrane protein X [Escherichia coli LF82]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 18 no EMBL CAQ31315 . "outer membrane protein X [Escherichia coli BL21(DE3)]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 19 no EMBL CAQ97717 . "outer membrane protein [Escherichia coli IAI1]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 20 no EMBL CAR02170 . "outer membrane protein [Escherichia coli S88]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 21 no EMBL CAR06985 . "outer membrane protein [Escherichia coli ED1a]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 22 no GB AAA21856 . "similar to outer membrane protein X from Enterobacter cloacae, Swiss-Prot Accession Number P25253; ORF2, partial [Escherichia c" . . . . . 77.03 137 100.00 100.00 3.12e-75 . . . . 18797 1 23 no GB AAA66329 . "outer membrane protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 24 no GB AAC73901 . "outer membrane protein X [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 25 no GB AAG55186 . "outer membrane protein X [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 26 no GB AAN42399 . "outer membrane protein X [Shigella flexneri 2a str. 301]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 27 no REF NP_308919 . "outer membrane protein X [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 28 no REF NP_415335 . "outer membrane protein X [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 29 no REF NP_706692 . "outer membrane protein X [Shigella flexneri 2a str. 301]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 30 no REF WP_001295296 . "MULTISPECIES: outer membrane protein X [Proteobacteria]" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 31 no REF WP_001340109 . "outer membrane protein X [Escherichia coli]" . . . . . 100.00 171 100.00 100.00 1.33e-102 . . . . 18797 1 32 no SP P0A917 . "RecName: Full=Outer membrane protein X; Flags: Precursor" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 33 no SP P0A918 . "RecName: Full=Outer membrane protein X; Flags: Precursor" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 34 no SP P0A919 . "RecName: Full=Outer membrane protein X; Flags: Precursor" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 35 no SP P0A920 . "RecName: Full=Outer membrane protein X; Flags: Precursor" . . . . . 100.00 171 100.00 100.00 1.14e-102 . . . . 18797 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 18797 1 2 2 THR . 18797 1 3 3 SER . 18797 1 4 4 THR . 18797 1 5 5 VAL . 18797 1 6 6 THR . 18797 1 7 7 GLY . 18797 1 8 8 GLY . 18797 1 9 9 TYR . 18797 1 10 10 ALA . 18797 1 11 11 GLN . 18797 1 12 12 SER . 18797 1 13 13 ASP . 18797 1 14 14 ALA . 18797 1 15 15 GLN . 18797 1 16 16 GLY . 18797 1 17 17 GLN . 18797 1 18 18 MET . 18797 1 19 19 ASN . 18797 1 20 20 LYS . 18797 1 21 21 MET . 18797 1 22 22 GLY . 18797 1 23 23 GLY . 18797 1 24 24 PHE . 18797 1 25 25 ASN . 18797 1 26 26 LEU . 18797 1 27 27 LYS . 18797 1 28 28 TYR . 18797 1 29 29 ARG . 18797 1 30 30 TYR . 18797 1 31 31 GLU . 18797 1 32 32 GLU . 18797 1 33 33 ASP . 18797 1 34 34 ASN . 18797 1 35 35 SER . 18797 1 36 36 PRO . 18797 1 37 37 LEU . 18797 1 38 38 GLY . 18797 1 39 39 VAL . 18797 1 40 40 ILE . 18797 1 41 41 GLY . 18797 1 42 42 SER . 18797 1 43 43 PHE . 18797 1 44 44 THR . 18797 1 45 45 TYR . 18797 1 46 46 THR . 18797 1 47 47 GLU . 18797 1 48 48 LYS . 18797 1 49 49 SER . 18797 1 50 50 ARG . 18797 1 51 51 THR . 18797 1 52 52 ALA . 18797 1 53 53 SER . 18797 1 54 54 SER . 18797 1 55 55 GLY . 18797 1 56 56 ASP . 18797 1 57 57 TYR . 18797 1 58 58 ASN . 18797 1 59 59 LYS . 18797 1 60 60 ASN . 18797 1 61 61 GLN . 18797 1 62 62 TYR . 18797 1 63 63 TYR . 18797 1 64 64 GLY . 18797 1 65 65 ILE . 18797 1 66 66 THR . 18797 1 67 67 ALA . 18797 1 68 68 GLY . 18797 1 69 69 PRO . 18797 1 70 70 ALA . 18797 1 71 71 TYR . 18797 1 72 72 ARG . 18797 1 73 73 ILE . 18797 1 74 74 ASN . 18797 1 75 75 ASP . 18797 1 76 76 TRP . 18797 1 77 77 ALA . 18797 1 78 78 SER . 18797 1 79 79 ILE . 18797 1 80 80 TYR . 18797 1 81 81 GLY . 18797 1 82 82 VAL . 18797 1 83 83 VAL . 18797 1 84 84 GLY . 18797 1 85 85 VAL . 18797 1 86 86 GLY . 18797 1 87 87 TYR . 18797 1 88 88 GLY . 18797 1 89 89 LYS . 18797 1 90 90 PHE . 18797 1 91 91 GLN . 18797 1 92 92 THR . 18797 1 93 93 THR . 18797 1 94 94 GLU . 18797 1 95 95 TYR . 18797 1 96 96 PRO . 18797 1 97 97 THR . 18797 1 98 98 TYR . 18797 1 99 99 LYS . 18797 1 100 100 HIS . 18797 1 101 101 ASP . 18797 1 102 102 THR . 18797 1 103 103 SER . 18797 1 104 104 ASP . 18797 1 105 105 TYR . 18797 1 106 106 GLY . 18797 1 107 107 PHE . 18797 1 108 108 SER . 18797 1 109 109 TYR . 18797 1 110 110 GLY . 18797 1 111 111 ALA . 18797 1 112 112 GLY . 18797 1 113 113 LEU . 18797 1 114 114 GLN . 18797 1 115 115 PHE . 18797 1 116 116 ASN . 18797 1 117 117 PRO . 18797 1 118 118 MET . 18797 1 119 119 GLU . 18797 1 120 120 ASN . 18797 1 121 121 VAL . 18797 1 122 122 ALA . 18797 1 123 123 LEU . 18797 1 124 124 ASP . 18797 1 125 125 PHE . 18797 1 126 126 SER . 18797 1 127 127 TYR . 18797 1 128 128 GLU . 18797 1 129 129 GLN . 18797 1 130 130 SER . 18797 1 131 131 ARG . 18797 1 132 132 ILE . 18797 1 133 133 ARG . 18797 1 134 134 SER . 18797 1 135 135 VAL . 18797 1 136 136 ASP . 18797 1 137 137 VAL . 18797 1 138 138 GLY . 18797 1 139 139 THR . 18797 1 140 140 TRP . 18797 1 141 141 ILE . 18797 1 142 142 ALA . 18797 1 143 143 GLY . 18797 1 144 144 VAL . 18797 1 145 145 GLY . 18797 1 146 146 TYR . 18797 1 147 147 ARG . 18797 1 148 148 PHE . 18797 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 . ALA 1 1 18797 1 . THR 2 2 18797 1 . SER 3 3 18797 1 . THR 4 4 18797 1 . VAL 5 5 18797 1 . THR 6 6 18797 1 . GLY 7 7 18797 1 . GLY 8 8 18797 1 . TYR 9 9 18797 1 . ALA 10 10 18797 1 . GLN 11 11 18797 1 . SER 12 12 18797 1 . ASP 13 13 18797 1 . ALA 14 14 18797 1 . GLN 15 15 18797 1 . GLY 16 16 18797 1 . GLN 17 17 18797 1 . MET 18 18 18797 1 . ASN 19 19 18797 1 . LYS 20 20 18797 1 . MET 21 21 18797 1 . GLY 22 22 18797 1 . GLY 23 23 18797 1 . PHE 24 24 18797 1 . ASN 25 25 18797 1 . LEU 26 26 18797 1 . LYS 27 27 18797 1 . TYR 28 28 18797 1 . ARG 29 29 18797 1 . TYR 30 30 18797 1 . GLU 31 31 18797 1 . GLU 32 32 18797 1 . ASP 33 33 18797 1 . ASN 34 34 18797 1 . SER 35 35 18797 1 . PRO 36 36 18797 1 . LEU 37 37 18797 1 . GLY 38 38 18797 1 . VAL 39 39 18797 1 . ILE 40 40 18797 1 . GLY 41 41 18797 1 . SER 42 42 18797 1 . PHE 43 43 18797 1 . THR 44 44 18797 1 . TYR 45 45 18797 1 . THR 46 46 18797 1 . GLU 47 47 18797 1 . LYS 48 48 18797 1 . SER 49 49 18797 1 . ARG 50 50 18797 1 . THR 51 51 18797 1 . ALA 52 52 18797 1 . SER 53 53 18797 1 . SER 54 54 18797 1 . GLY 55 55 18797 1 . ASP 56 56 18797 1 . TYR 57 57 18797 1 . ASN 58 58 18797 1 . LYS 59 59 18797 1 . ASN 60 60 18797 1 . GLN 61 61 18797 1 . TYR 62 62 18797 1 . TYR 63 63 18797 1 . GLY 64 64 18797 1 . ILE 65 65 18797 1 . THR 66 66 18797 1 . ALA 67 67 18797 1 . GLY 68 68 18797 1 . PRO 69 69 18797 1 . ALA 70 70 18797 1 . TYR 71 71 18797 1 . ARG 72 72 18797 1 . ILE 73 73 18797 1 . ASN 74 74 18797 1 . ASP 75 75 18797 1 . TRP 76 76 18797 1 . ALA 77 77 18797 1 . SER 78 78 18797 1 . ILE 79 79 18797 1 . TYR 80 80 18797 1 . GLY 81 81 18797 1 . VAL 82 82 18797 1 . VAL 83 83 18797 1 . GLY 84 84 18797 1 . VAL 85 85 18797 1 . GLY 86 86 18797 1 . TYR 87 87 18797 1 . GLY 88 88 18797 1 . LYS 89 89 18797 1 . PHE 90 90 18797 1 . GLN 91 91 18797 1 . THR 92 92 18797 1 . THR 93 93 18797 1 . GLU 94 94 18797 1 . TYR 95 95 18797 1 . PRO 96 96 18797 1 . THR 97 97 18797 1 . TYR 98 98 18797 1 . LYS 99 99 18797 1 . HIS 100 100 18797 1 . ASP 101 101 18797 1 . THR 102 102 18797 1 . SER 103 103 18797 1 . ASP 104 104 18797 1 . TYR 105 105 18797 1 . GLY 106 106 18797 1 . PHE 107 107 18797 1 . SER 108 108 18797 1 . TYR 109 109 18797 1 . GLY 110 110 18797 1 . ALA 111 111 18797 1 . GLY 112 112 18797 1 . LEU 113 113 18797 1 . GLN 114 114 18797 1 . PHE 115 115 18797 1 . ASN 116 116 18797 1 . PRO 117 117 18797 1 . MET 118 118 18797 1 . GLU 119 119 18797 1 . ASN 120 120 18797 1 . VAL 121 121 18797 1 . ALA 122 122 18797 1 . LEU 123 123 18797 1 . ASP 124 124 18797 1 . PHE 125 125 18797 1 . SER 126 126 18797 1 . TYR 127 127 18797 1 . GLU 128 128 18797 1 . GLN 129 129 18797 1 . SER 130 130 18797 1 . ARG 131 131 18797 1 . ILE 132 132 18797 1 . ARG 133 133 18797 1 . SER 134 134 18797 1 . VAL 135 135 18797 1 . ASP 136 136 18797 1 . VAL 137 137 18797 1 . GLY 138 138 18797 1 . THR 139 139 18797 1 . TRP 140 140 18797 1 . ILE 141 141 18797 1 . ALA 142 142 18797 1 . GLY 143 143 18797 1 . VAL 144 144 18797 1 . GLY 145 145 18797 1 . TYR 146 146 18797 1 . ARG 147 147 18797 1 . PHE 148 148 18797 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 18797 _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 $OmpX . 562 organism . 'Escherichia coli' Enterobacteria . . Bacteria . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . . . . . . 18797 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 18797 _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 $OmpX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11a . . . 'cloned via NdeI/BamHI restriction sites' . . 18797 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18797 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18797 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18797 1 3 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 18797 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18797 1 5 DPC 'natural abundance' . . . . . . 110 . . mM . . . . 18797 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18797 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18797 1 8 OmpX '[U-13C; U-15N; U-2H]' . . 1 $OmpX . . 0.5 . . mM . . . . 18797 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 18797 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18797 1 pH 6.5 . pH 18797 1 pressure 1 . atm 18797 1 temperature 318 . K 18797 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18797 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18797 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18797 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18797 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18797 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18797 2 processing 18797 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18797 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18797 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18797 3 'data analysis' 18797 3 'peak picking' 18797 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18797 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18797 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18797 4 'structure solution' 18797 4 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 18797 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18797 _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 . 750 . . . 18797 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 18797 _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 . . . . . . . . . . . . . . . . 18797 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18797 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18797 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18797 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18797 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18797 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18797 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 18797 _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 . . . . . . . . . 18797 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18797 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18797 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18797 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18797 1 2 '3D HNCO' . . . 18797 1 3 '3D HNCA' . . . 18797 1 4 '3D HN(CO)CA' . . . 18797 1 5 '3D HN(CA)CO' . . . 18797 1 6 '3D HNCACB' . . . 18797 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA C C 13 174.17 0.05 . 1 . . . A 1 ALA C . 18797 1 2 . 1 1 1 1 ALA CA C 13 51.56 0.05 . 1 . . . A 1 ALA CA . 18797 1 3 . 1 1 1 1 ALA CB C 13 19.31 0.05 . 1 . . . A 1 ALA CB . 18797 1 4 . 1 1 2 2 THR H H 1 8.49 0.02 . 1 . . . A 2 THR H . 18797 1 5 . 1 1 2 2 THR C C 13 173.57 0.05 . 1 . . . A 2 THR C . 18797 1 6 . 1 1 2 2 THR CA C 13 61.04 0.05 . 1 . . . A 2 THR CA . 18797 1 7 . 1 1 2 2 THR CB C 13 71.93 0.05 . 1 . . . A 2 THR CB . 18797 1 8 . 1 1 2 2 THR N N 15 114.28 0.05 . 1 . . . A 2 THR N . 18797 1 9 . 1 1 3 3 SER H H 1 9.00 0.02 . 1 . . . A 3 SER H . 18797 1 10 . 1 1 3 3 SER C C 13 172.59 0.05 . 1 . . . A 3 SER C . 18797 1 11 . 1 1 3 3 SER CA C 13 56.76 0.05 . 1 . . . A 3 SER CA . 18797 1 12 . 1 1 3 3 SER CB C 13 65.48 0.05 . 1 . . . A 3 SER CB . 18797 1 13 . 1 1 3 3 SER N N 15 122.43 0.05 . 1 . . . A 3 SER N . 18797 1 14 . 1 1 4 4 THR H H 1 8.61 0.02 . 1 . . . A 4 THR H . 18797 1 15 . 1 1 4 4 THR C C 13 174.64 0.05 . 1 . . . A 4 THR C . 18797 1 16 . 1 1 4 4 THR CA C 13 61.39 0.05 . 1 . . . A 4 THR CA . 18797 1 17 . 1 1 4 4 THR CB C 13 70.68 0.05 . 1 . . . A 4 THR CB . 18797 1 18 . 1 1 4 4 THR N N 15 117.24 0.05 . 1 . . . A 4 THR N . 18797 1 19 . 1 1 5 5 VAL H H 1 8.75 0.02 . 1 . . . A 5 VAL H . 18797 1 20 . 1 1 5 5 VAL C C 13 174.77 0.05 . 1 . . . A 5 VAL C . 18797 1 21 . 1 1 5 5 VAL CA C 13 59.76 0.05 . 1 . . . A 5 VAL CA . 18797 1 22 . 1 1 5 5 VAL CB C 13 33.49 0.05 . 1 . . . A 5 VAL CB . 18797 1 23 . 1 1 5 5 VAL N N 15 129.44 0.05 . 1 . . . A 5 VAL N . 18797 1 24 . 1 1 6 6 THR H H 1 8.89 0.02 . 1 . . . A 6 THR H . 18797 1 25 . 1 1 6 6 THR C C 13 172.93 0.05 . 1 . . . A 6 THR C . 18797 1 26 . 1 1 6 6 THR CA C 13 58.59 0.05 . 1 . . . A 6 THR CA . 18797 1 27 . 1 1 6 6 THR CB C 13 70.93 0.05 . 1 . . . A 6 THR CB . 18797 1 28 . 1 1 6 6 THR N N 15 116.43 0.05 . 1 . . . A 6 THR N . 18797 1 29 . 1 1 7 7 GLY H H 1 8.76 0.02 . 1 . . . A 7 GLY H . 18797 1 30 . 1 1 7 7 GLY C C 13 172.43 0.05 . 1 . . . A 7 GLY C . 18797 1 31 . 1 1 7 7 GLY CA C 13 44.32 0.05 . 1 . . . A 7 GLY CA . 18797 1 32 . 1 1 7 7 GLY N N 15 105.59 0.05 . 1 . . . A 7 GLY N . 18797 1 33 . 1 1 8 8 GLY H H 1 9.10 0.02 . 1 . . . A 8 GLY H . 18797 1 34 . 1 1 8 8 GLY C C 13 173.03 0.05 . 1 . . . A 8 GLY C . 18797 1 35 . 1 1 8 8 GLY CA C 13 45.93 0.05 . 1 . . . A 8 GLY CA . 18797 1 36 . 1 1 8 8 GLY N N 15 106.53 0.05 . 1 . . . A 8 GLY N . 18797 1 37 . 1 1 9 9 TYR H H 1 8.41 0.02 . 1 . . . A 9 TYR H . 18797 1 38 . 1 1 9 9 TYR C C 13 172.39 0.05 . 1 . . . A 9 TYR C . 18797 1 39 . 1 1 9 9 TYR CA C 13 56.84 0.05 . 1 . . . A 9 TYR CA . 18797 1 40 . 1 1 9 9 TYR CB C 13 41.08 0.05 . 1 . . . A 9 TYR CB . 18797 1 41 . 1 1 9 9 TYR N N 15 121.73 0.05 . 1 . . . A 9 TYR N . 18797 1 42 . 1 1 10 10 ALA H H 1 6.91 0.02 . 1 . . . A 10 ALA H . 18797 1 43 . 1 1 10 10 ALA C C 13 174.02 0.05 . 1 . . . A 10 ALA C . 18797 1 44 . 1 1 10 10 ALA CA C 13 48.21 0.05 . 1 . . . A 10 ALA CA . 18797 1 45 . 1 1 10 10 ALA CB C 13 22.22 0.05 . 1 . . . A 10 ALA CB . 18797 1 46 . 1 1 10 10 ALA N N 15 128.46 0.05 . 1 . . . A 10 ALA N . 18797 1 47 . 1 1 11 11 GLN H H 1 8.10 0.02 . 1 . . . A 11 GLN H . 18797 1 48 . 1 1 11 11 GLN C C 13 175.65 0.05 . 1 . . . A 11 GLN C . 18797 1 49 . 1 1 11 11 GLN CA C 13 53.83 0.05 . 1 . . . A 11 GLN CA . 18797 1 50 . 1 1 11 11 GLN CB C 13 32.06 0.05 . 1 . . . A 11 GLN CB . 18797 1 51 . 1 1 11 11 GLN N N 15 118.83 0.05 . 1 . . . A 11 GLN N . 18797 1 52 . 1 1 12 12 SER H H 1 9.16 0.02 . 1 . . . A 12 SER H . 18797 1 53 . 1 1 12 12 SER C C 13 172.71 0.05 . 1 . . . A 12 SER C . 18797 1 54 . 1 1 12 12 SER CA C 13 57.19 0.05 . 1 . . . A 12 SER CA . 18797 1 55 . 1 1 12 12 SER CB C 13 64.18 0.05 . 1 . . . A 12 SER CB . 18797 1 56 . 1 1 12 12 SER N N 15 124.20 0.05 . 1 . . . A 12 SER N . 18797 1 57 . 1 1 13 13 ASP H H 1 9.07 0.02 . 1 . . . A 13 ASP H . 18797 1 58 . 1 1 13 13 ASP C C 13 174.86 0.05 . 1 . . . A 13 ASP C . 18797 1 59 . 1 1 13 13 ASP CA C 13 52.96 0.05 . 1 . . . A 13 ASP CA . 18797 1 60 . 1 1 13 13 ASP CB C 13 42.92 0.05 . 1 . . . A 13 ASP CB . 18797 1 61 . 1 1 13 13 ASP N N 15 124.95 0.05 . 1 . . . A 13 ASP N . 18797 1 62 . 1 1 14 14 ALA H H 1 8.56 0.02 . 1 . . . A 14 ALA H . 18797 1 63 . 1 1 14 14 ALA C C 13 176.23 0.05 . 1 . . . A 14 ALA C . 18797 1 64 . 1 1 14 14 ALA CA C 13 49.81 0.05 . 1 . . . A 14 ALA CA . 18797 1 65 . 1 1 14 14 ALA CB C 13 19.50 0.05 . 1 . . . A 14 ALA CB . 18797 1 66 . 1 1 14 14 ALA N N 15 128.73 0.05 . 1 . . . A 14 ALA N . 18797 1 67 . 1 1 15 15 GLN H H 1 8.34 0.02 . 1 . . . A 15 GLN H . 18797 1 68 . 1 1 15 15 GLN C C 13 176.66 0.05 . 1 . . . A 15 GLN C . 18797 1 69 . 1 1 15 15 GLN CA C 13 57.12 0.05 . 1 . . . A 15 GLN CA . 18797 1 70 . 1 1 15 15 GLN CB C 13 28.16 0.05 . 1 . . . A 15 GLN CB . 18797 1 71 . 1 1 15 15 GLN N N 15 122.75 0.05 . 1 . . . A 15 GLN N . 18797 1 72 . 1 1 16 16 GLY H H 1 8.65 0.02 . 1 . . . A 16 GLY H . 18797 1 73 . 1 1 16 16 GLY C C 13 174.40 0.05 . 1 . . . A 16 GLY C . 18797 1 74 . 1 1 16 16 GLY CA C 13 45.18 0.05 . 1 . . . A 16 GLY CA . 18797 1 75 . 1 1 16 16 GLY N N 15 112.80 0.05 . 1 . . . A 16 GLY N . 18797 1 76 . 1 1 17 17 GLN H H 1 8.08 .02 . 1 . . . A 17 GLN H . 18797 1 77 . 1 1 17 17 GLN C C 13 175.72 0.05 . 1 . . . A 17 GLN C . 18797 1 78 . 1 1 17 17 GLN CA C 13 54.60 0.05 . 1 . . . A 17 GLN CA . 18797 1 79 . 1 1 17 17 GLN CB C 13 32.80 0.05 . 1 . . . A 17 GLN CB . 18797 1 80 . 1 1 17 17 GLN N N 15 119.30 0.05 . 1 . . . A 17 GLN N . 18797 1 81 . 1 1 18 18 MET H H 1 8.37 0.02 . 1 . . . A 18 MET H . 18797 1 82 . 1 1 18 18 MET C C 13 175.40 0.05 . 1 . . . A 18 MET C . 18797 1 83 . 1 1 18 18 MET CA C 13 55.98 0.05 . 1 . . . A 18 MET CA . 18797 1 84 . 1 1 18 18 MET CB C 13 35.59 0.05 . 1 . . . A 18 MET CB . 18797 1 85 . 1 1 18 18 MET N N 15 120.17 0.05 . 1 . . . A 18 MET N . 18797 1 86 . 1 1 19 19 ASN H H 1 7.99 0.02 . 1 . . . A 19 ASN H . 18797 1 87 . 1 1 19 19 ASN C C 13 174.40 0.05 . 1 . . . A 19 ASN C . 18797 1 88 . 1 1 19 19 ASN CA C 13 52.30 0.05 . 1 . . . A 19 ASN CA . 18797 1 89 . 1 1 19 19 ASN CB C 13 39.40 0.05 . 1 . . . A 19 ASN CB . 18797 1 90 . 1 1 19 19 ASN N N 15 117.90 0.05 . 1 . . . A 19 ASN N . 18797 1 91 . 1 1 20 20 LYS H H 1 8.34 0.02 . 1 . . . A 20 LYS H . 18797 1 92 . 1 1 20 20 LYS C C 13 176.41 0.05 . 1 . . . A 20 LYS C . 18797 1 93 . 1 1 20 20 LYS CA C 13 55.70 0.05 . 1 . . . A 20 LYS CA . 18797 1 94 . 1 1 20 20 LYS CB C 13 31.90 0.05 . 1 . . . A 20 LYS CB . 18797 1 95 . 1 1 20 20 LYS N N 15 120.80 0.05 . 1 . . . A 20 LYS N . 18797 1 96 . 1 1 21 21 MET H H 1 8.58 0.02 . 1 . . . A 21 MET H . 18797 1 97 . 1 1 21 21 MET C C 13 175.27 0.05 . 1 . . . A 21 MET C . 18797 1 98 . 1 1 21 21 MET CA C 13 54.80 0.05 . 1 . . . A 21 MET CA . 18797 1 99 . 1 1 21 21 MET CB C 13 34.73 0.05 . 1 . . . A 21 MET CB . 18797 1 100 . 1 1 21 21 MET N N 15 120.50 0.05 . 1 . . . A 21 MET N . 18797 1 101 . 1 1 22 22 GLY H H 1 8.43 0.02 . 1 . . . A 22 GLY H . 18797 1 102 . 1 1 22 22 GLY C C 13 174.03 0.05 . 1 . . . A 22 GLY C . 18797 1 103 . 1 1 22 22 GLY CA C 13 43.81 0.05 . 1 . . . A 22 GLY CA . 18797 1 104 . 1 1 22 22 GLY N N 15 111.28 0.05 . 1 . . . A 22 GLY N . 18797 1 105 . 1 1 23 23 GLY H H 1 8.18 0.02 . 1 . . . A 23 GLY H . 18797 1 106 . 1 1 23 23 GLY C C 13 171.85 0.05 . 1 . . . A 23 GLY C . 18797 1 107 . 1 1 23 23 GLY CA C 13 46.15 0.05 . 1 . . . A 23 GLY CA . 18797 1 108 . 1 1 23 23 GLY N N 15 120.17 0.05 . 1 . . . A 23 GLY N . 18797 1 109 . 1 1 24 24 PHE H H 1 9.23 0.02 . 1 . . . A 24 PHE H . 18797 1 110 . 1 1 24 24 PHE C C 13 171.57 0.05 . 1 . . . A 24 PHE C . 18797 1 111 . 1 1 24 24 PHE CA C 13 54.73 0.05 . 1 . . . A 24 PHE CA . 18797 1 112 . 1 1 24 24 PHE CB C 13 43.51 0.05 . 1 . . . A 24 PHE CB . 18797 1 113 . 1 1 24 24 PHE N N 15 121.37 0.05 . 1 . . . A 24 PHE N . 18797 1 114 . 1 1 25 25 ASN H H 1 8.52 0.02 . 1 . . . A 25 ASN H . 18797 1 115 . 1 1 25 25 ASN C C 13 172.08 0.05 . 1 . . . A 25 ASN C . 18797 1 116 . 1 1 25 25 ASN CA C 13 50.87 0.05 . 1 . . . A 25 ASN CA . 18797 1 117 . 1 1 25 25 ASN CB C 13 46.45 0.05 . 1 . . . A 25 ASN CB . 18797 1 118 . 1 1 25 25 ASN N N 15 118.95 0.05 . 1 . . . A 25 ASN N . 18797 1 119 . 1 1 26 26 LEU H H 1 9.34 0.02 . 1 . . . A 26 LEU H . 18797 1 120 . 1 1 26 26 LEU C C 13 175.62 0.05 . 1 . . . A 26 LEU C . 18797 1 121 . 1 1 26 26 LEU CA C 13 53.49 0.05 . 1 . . . A 26 LEU CA . 18797 1 122 . 1 1 26 26 LEU CB C 13 46.63 0.05 . 1 . . . A 26 LEU CB . 18797 1 123 . 1 1 26 26 LEU N N 15 126.15 0.05 . 1 . . . A 26 LEU N . 18797 1 124 . 1 1 27 27 LYS H H 1 8.85 0.02 . 1 . . . A 27 LYS H . 18797 1 125 . 1 1 27 27 LYS C C 13 175.12 0.05 . 1 . . . A 27 LYS C . 18797 1 126 . 1 1 27 27 LYS CA C 13 55.19 0.05 . 1 . . . A 27 LYS CA . 18797 1 127 . 1 1 27 27 LYS CB C 13 36.57 0.05 . 1 . . . A 27 LYS CB . 18797 1 128 . 1 1 27 27 LYS N N 15 117.98 0.05 . 1 . . . A 27 LYS N . 18797 1 129 . 1 1 28 28 TYR H H 1 8.43 0.02 . 1 . . . A 28 TYR H . 18797 1 130 . 1 1 28 28 TYR C C 13 172.48 0.05 . 1 . . . A 28 TYR C . 18797 1 131 . 1 1 28 28 TYR CA C 13 56.28 0.05 . 1 . . . A 28 TYR CA . 18797 1 132 . 1 1 28 28 TYR CB C 13 41.90 0.05 . 1 . . . A 28 TYR CB . 18797 1 133 . 1 1 28 28 TYR N N 15 120.82 0.05 . 1 . . . A 28 TYR N . 18797 1 134 . 1 1 29 29 ARG H H 1 8.67 0.02 . 1 . . . A 29 ARG H . 18797 1 135 . 1 1 29 29 ARG C C 13 172.78 0.05 . 1 . . . A 29 ARG C . 18797 1 136 . 1 1 29 29 ARG CA C 13 53.00 0.05 . 1 . . . A 29 ARG CA . 18797 1 137 . 1 1 29 29 ARG CB C 13 34.01 0.05 . 1 . . . A 29 ARG CB . 18797 1 138 . 1 1 29 29 ARG N N 15 129.66 0.05 . 1 . . . A 29 ARG N . 18797 1 139 . 1 1 30 30 TYR H H 1 8.93 0.02 . 1 . . . A 30 TYR H . 18797 1 140 . 1 1 30 30 TYR C C 13 175.00 0.05 . 1 . . . A 30 TYR C . 18797 1 141 . 1 1 30 30 TYR CA C 13 56.83 0.05 . 1 . . . A 30 TYR CA . 18797 1 142 . 1 1 30 30 TYR CB C 13 42.14 0.05 . 1 . . . A 30 TYR CB . 18797 1 143 . 1 1 30 30 TYR N N 15 127.21 0.05 . 1 . . . A 30 TYR N . 18797 1 144 . 1 1 31 31 GLU H H 1 8.17 0.02 . 1 . . . A 31 GLU H . 18797 1 145 . 1 1 31 31 GLU C C 13 174.25 0.05 . 1 . . . A 31 GLU C . 18797 1 146 . 1 1 31 31 GLU CA C 13 54.63 0.05 . 1 . . . A 31 GLU CA . 18797 1 147 . 1 1 31 31 GLU CB C 13 32.49 0.05 . 1 . . . A 31 GLU CB . 18797 1 148 . 1 1 31 31 GLU N N 15 128.09 0.05 . 1 . . . A 31 GLU N . 18797 1 149 . 1 1 32 32 GLU H H 1 9.12 0.02 . 1 . . . A 32 GLU H . 18797 1 150 . 1 1 32 32 GLU C C 13 176.92 0.05 . 1 . . . A 32 GLU C . 18797 1 151 . 1 1 32 32 GLU CA C 13 54.57 0.05 . 1 . . . A 32 GLU CA . 18797 1 152 . 1 1 32 32 GLU CB C 13 30.77 0.05 . 1 . . . A 32 GLU CB . 18797 1 153 . 1 1 32 32 GLU N N 15 122.61 0.05 . 1 . . . A 32 GLU N . 18797 1 154 . 1 1 33 33 ASP H H 1 8.60 0.02 . 1 . . . A 33 ASP H . 18797 1 155 . 1 1 33 33 ASP C C 13 176.99 0.05 . 1 . . . A 33 ASP C . 18797 1 156 . 1 1 33 33 ASP CA C 13 55.87 0.05 . 1 . . . A 33 ASP CA . 18797 1 157 . 1 1 33 33 ASP CB C 13 40.27 0.05 . 1 . . . A 33 ASP CB . 18797 1 158 . 1 1 33 33 ASP N N 15 121.92 0.05 . 1 . . . A 33 ASP N . 18797 1 159 . 1 1 34 34 ASN H H 1 8.42 0.02 . 1 . . . A 34 ASN H . 18797 1 160 . 1 1 34 34 ASN C C 13 174.28 0.05 . 1 . . . A 34 ASN C . 18797 1 161 . 1 1 34 34 ASN CA C 13 53.36 0.05 . 1 . . . A 34 ASN CA . 18797 1 162 . 1 1 34 34 ASN CB C 13 37.95 0.05 . 1 . . . A 34 ASN CB . 18797 1 163 . 1 1 34 34 ASN N N 15 115.30 0.05 . 1 . . . A 34 ASN N . 18797 1 164 . 1 1 35 35 SER H H 1 7.27 0.02 . 1 . . . A 35 SER H . 18797 1 165 . 1 1 35 35 SER CA C 13 54.26 0.05 . 1 . . . A 35 SER CA . 18797 1 166 . 1 1 35 35 SER CB C 13 64.92 0.05 . 1 . . . A 35 SER CB . 18797 1 167 . 1 1 35 35 SER N N 15 112.97 0.05 . 1 . . . A 35 SER N . 18797 1 168 . 1 1 36 36 PRO CA C 13 63.36 0.05 . 1 . . . A 36 PRO CA . 18797 1 169 . 1 1 36 36 PRO CB C 13 31.47 0.05 . 1 . . . A 36 PRO CB . 18797 1 170 . 1 1 37 37 LEU H H 1 7.91 0.02 . 1 . . . A 37 LEU H . 18797 1 171 . 1 1 37 37 LEU C C 13 176.30 0.05 . 1 . . . A 37 LEU C . 18797 1 172 . 1 1 37 37 LEU CA C 13 53.84 0.05 . 1 . . . A 37 LEU CA . 18797 1 173 . 1 1 37 37 LEU CB C 13 43.69 0.05 . 1 . . . A 37 LEU CB . 18797 1 174 . 1 1 37 37 LEU N N 15 123.00 0.05 . 1 . . . A 37 LEU N . 18797 1 175 . 1 1 38 38 GLY H H 1 9.11 0.02 . 1 . . . A 38 GLY H . 18797 1 176 . 1 1 38 38 GLY C C 13 172.34 0.05 . 1 . . . A 38 GLY C . 18797 1 177 . 1 1 38 38 GLY CA C 13 44.43 0.05 . 1 . . . A 38 GLY CA . 18797 1 178 . 1 1 38 38 GLY N N 15 117.32 0.05 . 1 . . . A 38 GLY N . 18797 1 179 . 1 1 39 39 VAL H H 1 7.98 0.02 . 1 . . . A 39 VAL H . 18797 1 180 . 1 1 39 39 VAL C C 13 171.72 0.05 . 1 . . . A 39 VAL C . 18797 1 181 . 1 1 39 39 VAL CA C 13 59.00 0.05 . 1 . . . A 39 VAL CA . 18797 1 182 . 1 1 39 39 VAL CB C 13 35.61 0.05 . 1 . . . A 39 VAL CB . 18797 1 183 . 1 1 39 39 VAL N N 15 116.55 0.05 . 1 . . . A 39 VAL N . 18797 1 184 . 1 1 40 40 ILE H H 1 9.16 0.02 . 1 . . . A 40 ILE H . 18797 1 185 . 1 1 40 40 ILE C C 13 171.60 0.05 . 1 . . . A 40 ILE C . 18797 1 186 . 1 1 40 40 ILE CA C 13 58.54 0.05 . 1 . . . A 40 ILE CA . 18797 1 187 . 1 1 40 40 ILE CB C 13 44.13 0.05 . 1 . . . A 40 ILE CB . 18797 1 188 . 1 1 40 40 ILE N N 15 125.64 0.05 . 1 . . . A 40 ILE N . 18797 1 189 . 1 1 41 41 GLY H H 1 8.93 0.02 . 1 . . . A 41 GLY H . 18797 1 190 . 1 1 41 41 GLY C C 13 172.00 0.05 . 1 . . . A 41 GLY C . 18797 1 191 . 1 1 41 41 GLY CA C 13 43.15 0.05 . 1 . . . A 41 GLY CA . 18797 1 192 . 1 1 41 41 GLY N N 15 111.83 0.05 . 1 . . . A 41 GLY N . 18797 1 193 . 1 1 42 42 SER H H 1 9.19 0.02 . 1 . . . A 42 SER H . 18797 1 194 . 1 1 42 42 SER C C 13 172.10 0.05 . 1 . . . A 42 SER C . 18797 1 195 . 1 1 42 42 SER CA C 13 56.22 0.05 . 1 . . . A 42 SER CA . 18797 1 196 . 1 1 42 42 SER CB C 13 62.92 0.05 . 1 . . . A 42 SER CB . 18797 1 197 . 1 1 42 42 SER N N 15 116.94 0.05 . 1 . . . A 42 SER N . 18797 1 198 . 1 1 43 43 PHE H H 1 9.30 0.02 . 1 . . . A 43 PHE H . 18797 1 199 . 1 1 43 43 PHE C C 13 172.92 0.05 . 1 . . . A 43 PHE C . 18797 1 200 . 1 1 43 43 PHE CA C 13 55.96 0.05 . 1 . . . A 43 PHE CA . 18797 1 201 . 1 1 43 43 PHE CB C 13 42.43 0.05 . 1 . . . A 43 PHE CB . 18797 1 202 . 1 1 43 43 PHE N N 15 129.23 0.05 . 1 . . . A 43 PHE N . 18797 1 203 . 1 1 44 44 THR H H 1 8.82 0.02 . 1 . . . A 44 THR H . 18797 1 204 . 1 1 44 44 THR C C 13 171.34 0.05 . 1 . . . A 44 THR C . 18797 1 205 . 1 1 44 44 THR CA C 13 60.41 0.05 . 1 . . . A 44 THR CA . 18797 1 206 . 1 1 44 44 THR CB C 13 70.22 0.05 . 1 . . . A 44 THR CB . 18797 1 207 . 1 1 44 44 THR N N 15 126.53 0.05 . 1 . . . A 44 THR N . 18797 1 208 . 1 1 45 45 TYR H H 1 8.21 0.02 . 1 . . . A 45 TYR H . 18797 1 209 . 1 1 45 45 TYR C C 13 174.00 0.05 . 1 . . . A 45 TYR C . 18797 1 210 . 1 1 45 45 TYR CA C 13 55.67 0.05 . 1 . . . A 45 TYR CA . 18797 1 211 . 1 1 45 45 TYR CB C 13 41.00 0.05 . 1 . . . A 45 TYR CB . 18797 1 212 . 1 1 45 45 TYR N N 15 125.84 0.05 . 1 . . . A 45 TYR N . 18797 1 213 . 1 1 46 46 THR H H 1 8.55 0.02 . 1 . . . A 46 THR H . 18797 1 214 . 1 1 46 46 THR C C 13 171.91 0.05 . 1 . . . A 46 THR C . 18797 1 215 . 1 1 46 46 THR CA C 13 58.72 0.05 . 1 . . . A 46 THR CA . 18797 1 216 . 1 1 46 46 THR CB C 13 71.71 0.05 . 1 . . . A 46 THR CB . 18797 1 217 . 1 1 46 46 THR N N 15 117.67 0.05 . 1 . . . A 46 THR N . 18797 1 218 . 1 1 47 47 GLU H H 1 8.17 0.02 . 1 . . . A 47 GLU H . 18797 1 219 . 1 1 47 47 GLU CA C 13 54.58 0.05 . 1 . . . A 47 GLU CA . 18797 1 220 . 1 1 47 47 GLU CB C 13 32.67 0.05 . 1 . . . A 47 GLU CB . 18797 1 221 . 1 1 47 47 GLU N N 15 112.16 0.05 . 1 . . . A 47 GLU N . 18797 1 222 . 1 1 49 49 SER C C 13 174.13 0.05 . 1 . . . A 49 SER H . 18797 1 223 . 1 1 49 49 SER CA C 13 58.21 0.05 . 1 . . . A 49 SER CA . 18797 1 224 . 1 1 49 49 SER CB C 13 64.07 0.05 . 1 . . . A 49 SER CB . 18797 1 225 . 1 1 50 50 ARG H H 1 8.60 0.02 . 1 . . . A 50 ARG H . 18797 1 226 . 1 1 50 50 ARG C C 13 176.27 0.05 . 1 . . . A 50 ARG C . 18797 1 227 . 1 1 50 50 ARG CA C 13 55.96 0.05 . 1 . . . A 50 ARG CA . 18797 1 228 . 1 1 50 50 ARG CB C 13 30.98 0.05 . 1 . . . A 50 ARG CB . 18797 1 229 . 1 1 50 50 ARG N N 15 124.00 0.05 . 1 . . . A 50 ARG N . 18797 1 230 . 1 1 51 51 THR H H 1 8.24 0.02 . 1 . . . A 51 THR H . 18797 1 231 . 1 1 51 51 THR C C 13 174.40 0.05 . 1 . . . A 51 THR C . 18797 1 232 . 1 1 51 51 THR CA C 13 61.82 0.05 . 1 . . . A 51 THR CA . 18797 1 233 . 1 1 51 51 THR N N 15 115.72 0.05 . 1 . . . A 51 THR N . 18797 1 234 . 1 1 52 52 ALA C C 13 175.23 0.05 . 1 . . . A 52 ALA H . 18797 1 235 . 1 1 52 52 ALA CA C 13 52.00 0.05 . 1 . . . A 52 ALA CA . 18797 1 236 . 1 1 52 52 ALA CB C 13 18.80 0.05 . 1 . . . A 52 ALA CB . 18797 1 237 . 1 1 53 53 SER H H 1 8.00 0.02 . 1 . . . A 53 SER H . 18797 1 238 . 1 1 53 53 SER C C 13 175.36 0.05 . 1 . . . A 53 SER C . 18797 1 239 . 1 1 53 53 SER CA C 13 58.35 0.05 . 1 . . . A 53 SER CA . 18797 1 240 . 1 1 53 53 SER CB C 13 62.93 0.05 . 1 . . . A 53 SER CB . 18797 1 241 . 1 1 53 53 SER N N 15 113.99 0.05 . 1 . . . A 53 SER N . 18797 1 242 . 1 1 54 54 SER H H 1 8.05 0.02 . 1 . . . A 54 SER H . 18797 1 243 . 1 1 54 54 SER C C 13 173.88 0.05 . 1 . . . A 54 SER C . 18797 1 244 . 1 1 54 54 SER CA C 13 58.50 0.05 . 1 . . . A 54 SER CA . 18797 1 245 . 1 1 54 54 SER CB C 13 62.96 0.05 . 1 . . . A 54 SER CB . 18797 1 246 . 1 1 54 54 SER N N 15 113.51 0.05 . 1 . . . A 54 SER N . 18797 1 247 . 1 1 55 55 GLY H H 1 8.14 0.02 . 1 . . . A 55 GLY H . 18797 1 248 . 1 1 55 55 GLY CA C 13 44.20 0.05 . 1 . . . A 55 GLY CA . 18797 1 249 . 1 1 55 55 GLY N N 15 112.64 0.05 . 1 . . . A 55 GLY N . 18797 1 250 . 1 1 56 56 ASP C C 13 175.60 0.05 . 1 . . . A 56 ASP H . 18797 1 251 . 1 1 56 56 ASP CA C 13 54.10 0.05 . 1 . . . A 56 ASP CA . 18797 1 252 . 1 1 56 56 ASP CB C 13 41.00 0.05 . 1 . . . A 56 ASP CB . 18797 1 253 . 1 1 57 57 TYR H H 1 8.15 0.02 . 1 . . . A 57 TYR H . 18797 1 254 . 1 1 57 57 TYR CA C 13 57.28 0.05 . 1 . . . A 57 TYR CA . 18797 1 255 . 1 1 57 57 TYR CB C 13 38.40 0.05 . 1 . . . A 57 TYR CB . 18797 1 256 . 1 1 57 57 TYR N N 15 121.14 0.05 . 1 . . . A 57 TYR N . 18797 1 257 . 1 1 59 59 LYS CA C 13 55.41 0.05 . 1 . . . A 59 LYS CA . 18797 1 258 . 1 1 59 59 LYS CB C 13 34.22 0.05 . 1 . . . A 59 LYS CB . 18797 1 259 . 1 1 60 60 ASN H H 1 8.36 0.02 . 1 . . . A 60 ASN H . 18797 1 260 . 1 1 60 60 ASN C C 13 175.26 0.05 . 1 . . . A 60 ASN C . 18797 1 261 . 1 1 60 60 ASN CA C 13 52.20 0.05 . 1 . . . A 60 ASN CA . 18797 1 262 . 1 1 60 60 ASN CB C 13 40.23 0.05 . 1 . . . A 60 ASN CB . 18797 1 263 . 1 1 60 60 ASN N N 15 122.74 0.05 . 1 . . . A 60 ASN N . 18797 1 264 . 1 1 61 61 GLN H H 1 8.53 0.02 . 1 . . . A 61 GLN H . 18797 1 265 . 1 1 61 61 GLN C C 13 172.50 0.05 . 1 . . . A 61 GLN C . 18797 1 266 . 1 1 61 61 GLN CA C 13 54.74 0.05 . 1 . . . A 61 GLN CA . 18797 1 267 . 1 1 61 61 GLN CB C 13 34.84 0.05 . 1 . . . A 61 GLN CB . 18797 1 268 . 1 1 61 61 GLN N N 15 120.45 0.05 . 1 . . . A 61 GLN N . 18797 1 269 . 1 1 62 62 TYR H H 1 8.61 0.02 . 1 . . . A 62 TYR H . 18797 1 270 . 1 1 62 62 TYR C C 13 171.43 0.05 . 1 . . . A 62 TYR C . 18797 1 271 . 1 1 62 62 TYR CA C 13 56.84 0.05 . 1 . . . A 62 TYR CA . 18797 1 272 . 1 1 62 62 TYR CB C 13 39.93 0.05 . 1 . . . A 62 TYR CB . 18797 1 273 . 1 1 62 62 TYR N N 15 123.62 0.05 . 1 . . . A 62 TYR N . 18797 1 274 . 1 1 63 63 TYR H H 1 8.40 0.02 . 1 . . . A 63 TYR H . 18797 1 275 . 1 1 63 63 TYR C C 13 174.28 0.05 . 1 . . . A 63 TYR C . 18797 1 276 . 1 1 63 63 TYR CA C 13 54.58 0.05 . 1 . . . A 63 TYR CA . 18797 1 277 . 1 1 63 63 TYR CB C 13 41.32 0.05 . 1 . . . A 63 TYR CB . 18797 1 278 . 1 1 63 63 TYR N N 15 123.92 0.05 . 1 . . . A 63 TYR N . 18797 1 279 . 1 1 64 64 GLY H H 1 8.76 0.02 . 1 . . . A 64 GLY H . 18797 1 280 . 1 1 64 64 GLY C C 13 174.09 0.05 . 1 . . . A 64 GLY C . 18797 1 281 . 1 1 64 64 GLY CA C 13 44.57 0.05 . 1 . . . A 64 GLY CA . 18797 1 282 . 1 1 64 64 GLY N N 15 107.51 0.05 . 1 . . . A 64 GLY N . 18797 1 283 . 1 1 65 65 ILE H H 1 8.90 0.02 . 1 . . . A 65 ILE H . 18797 1 284 . 1 1 65 65 ILE C C 13 174.35 0.05 . 1 . . . A 65 ILE C . 18797 1 285 . 1 1 65 65 ILE CA C 13 59.96 0.05 . 1 . . . A 65 ILE CA . 18797 1 286 . 1 1 65 65 ILE CB C 13 39.74 0.05 . 1 . . . A 65 ILE CB . 18797 1 287 . 1 1 65 65 ILE N N 15 128.47 0.05 . 1 . . . A 65 ILE N . 18797 1 288 . 1 1 66 66 THR H H 1 8.90 0.02 . 1 . . . A 66 THR H . 18797 1 289 . 1 1 66 66 THR C C 13 172.60 0.05 . 1 . . . A 66 THR C . 18797 1 290 . 1 1 66 66 THR CA C 13 58.67 0.05 . 1 . . . A 66 THR CA . 18797 1 291 . 1 1 66 66 THR CB C 13 73.10 0.05 . 1 . . . A 66 THR CB . 18797 1 292 . 1 1 66 66 THR N N 15 115.89 0.05 . 1 . . . A 66 THR N . 18797 1 293 . 1 1 67 67 ALA H H 1 9.37 0.02 . 1 . . . A 67 ALA H . 18797 1 294 . 1 1 67 67 ALA C C 13 176.67 0.05 . 1 . . . A 67 ALA C . 18797 1 295 . 1 1 67 67 ALA CA C 13 51.50 0.05 . 1 . . . A 67 ALA CA . 18797 1 296 . 1 1 67 67 ALA CB C 13 22.06 0.05 . 1 . . . A 67 ALA CB . 18797 1 297 . 1 1 67 67 ALA N N 15 119.73 0.05 . 1 . . . A 67 ALA N . 18797 1 298 . 1 1 68 68 GLY H H 1 8.90 0.02 . 1 . . . A 68 GLY H . 18797 1 299 . 1 1 68 68 GLY CA C 13 45.92 0.05 . 1 . . . A 68 GLY CA . 18797 1 300 . 1 1 68 68 GLY N N 15 104.24 0.05 . 1 . . . A 68 GLY N . 18797 1 301 . 1 1 69 69 PRO CA C 13 61.04 0.05 . 1 . . . A 69 PRO CA . 18797 1 302 . 1 1 69 69 PRO CB C 13 32.69 0.05 . 1 . . . A 69 PRO CB . 18797 1 303 . 1 1 70 70 ALA H H 1 7.87 0.02 . 1 . . . A 70 ALA H . 18797 1 304 . 1 1 70 70 ALA C C 13 175.59 0.05 . 1 . . . A 70 ALA C . 18797 1 305 . 1 1 70 70 ALA CA C 13 49.49 0.05 . 1 . . . A 70 ALA CA . 18797 1 306 . 1 1 70 70 ALA CB C 13 20.98 0.05 . 1 . . . A 70 ALA CB . 18797 1 307 . 1 1 70 70 ALA N N 15 120.22 0.05 . 1 . . . A 70 ALA N . 18797 1 308 . 1 1 71 71 TYR H H 1 9.78 0.02 . 1 . . . A 71 TYR H . 18797 1 309 . 1 1 71 71 TYR C C 13 174.09 0.05 . 1 . . . A 71 TYR C . 18797 1 310 . 1 1 71 71 TYR CA C 13 56.12 0.05 . 1 . . . A 71 TYR CA . 18797 1 311 . 1 1 71 71 TYR CB C 13 41.92 0.05 . 1 . . . A 71 TYR CB . 18797 1 312 . 1 1 71 71 TYR N N 15 126.08 0.05 . 1 . . . A 71 TYR N . 18797 1 313 . 1 1 72 72 ARG H H 1 8.77 0.02 . 1 . . . A 72 ARG H . 18797 1 314 . 1 1 72 72 ARG C C 13 174.16 0.05 . 1 . . . A 72 ARG C . 18797 1 315 . 1 1 72 72 ARG CA C 13 56.02 0.05 . 1 . . . A 72 ARG CA . 18797 1 316 . 1 1 72 72 ARG CB C 13 29.62 0.05 . 1 . . . A 72 ARG CB . 18797 1 317 . 1 1 72 72 ARG N N 15 131.41 0.05 . 1 . . . A 72 ARG N . 18797 1 318 . 1 1 73 73 ILE H H 1 8.40 0.02 . 1 . . . A 73 ILE H . 18797 1 319 . 1 1 73 73 ILE C C 13 175.73 0.05 . 1 . . . A 73 ILE C . 18797 1 320 . 1 1 73 73 ILE CA C 13 62.95 0.05 . 1 . . . A 73 ILE CA . 18797 1 321 . 1 1 73 73 ILE CB C 13 38.51 0.05 . 1 . . . A 73 ILE CB . 18797 1 322 . 1 1 73 73 ILE N N 15 129.55 0.05 . 1 . . . A 73 ILE N . 18797 1 323 . 1 1 74 74 ASN H H 1 7.92 0.02 . 1 . . . A 74 ASN H . 18797 1 324 . 1 1 74 74 ASN C C 13 174.86 0.05 . 1 . . . A 74 ASN C . 18797 1 325 . 1 1 74 74 ASN CA C 13 51.83 0.05 . 1 . . . A 74 ASN CA . 18797 1 326 . 1 1 74 74 ASN CB C 13 36.84 0.05 . 1 . . . A 74 ASN CB . 18797 1 327 . 1 1 74 74 ASN N N 15 114.87 0.05 . 1 . . . A 74 ASN N . 18797 1 328 . 1 1 75 75 ASP H H 1 8.32 0.02 . 1 . . . A 75 ASP H . 18797 1 329 . 1 1 75 75 ASP C C 13 175.82 0.05 . 1 . . . A 75 ASP C . 18797 1 330 . 1 1 75 75 ASP CA C 13 56.92 0.05 . 1 . . . A 75 ASP CA . 18797 1 331 . 1 1 75 75 ASP CB C 13 40.23 0.05 . 1 . . . A 75 ASP CB . 18797 1 332 . 1 1 75 75 ASP N N 15 113.98 0.05 . 1 . . . A 75 ASP N . 18797 1 333 . 1 1 76 76 TRP H H 1 7.97 0.02 . 1 . . . A 76 TRP H . 18797 1 334 . 1 1 76 76 TRP C C 13 176.31 0.05 . 1 . . . A 76 TRP C . 18797 1 335 . 1 1 76 76 TRP CA C 13 55.41 0.05 . 1 . . . A 76 TRP CA . 18797 1 336 . 1 1 76 76 TRP CB C 13 31.16 0.05 . 1 . . . A 76 TRP CB . 18797 1 337 . 1 1 76 76 TRP N N 15 113.60 0.05 . 1 . . . A 76 TRP N . 18797 1 338 . 1 1 77 77 ALA H H 1 7.74 0.02 . 1 . . . A 77 ALA H . 18797 1 339 . 1 1 77 77 ALA C C 13 175.62 0.05 . 1 . . . A 77 ALA C . 18797 1 340 . 1 1 77 77 ALA CA C 13 52.07 0.05 . 1 . . . A 77 ALA CA . 18797 1 341 . 1 1 77 77 ALA CB C 13 21.14 0.05 . 1 . . . A 77 ALA CB . 18797 1 342 . 1 1 77 77 ALA N N 15 125.52 0.05 . 1 . . . A 77 ALA N . 18797 1 343 . 1 1 78 78 SER H H 1 8.10 0.02 . 1 . . . A 78 SER H . 18797 1 344 . 1 1 78 78 SER C C 13 170.06 0.05 . 1 . . . A 78 SER C . 18797 1 345 . 1 1 78 78 SER CA C 13 57.25 0.05 . 1 . . . A 78 SER CA . 18797 1 346 . 1 1 78 78 SER CB C 13 65.32 0.05 . 1 . . . A 78 SER CB . 18797 1 347 . 1 1 78 78 SER N N 15 114.14 0.05 . 1 . . . A 78 SER N . 18797 1 348 . 1 1 79 79 ILE H H 1 8.96 0.02 . 1 . . . A 79 ILE H . 18797 1 349 . 1 1 79 79 ILE C C 13 172.47 0.05 . 1 . . . A 79 ILE C . 18797 1 350 . 1 1 79 79 ILE CA C 13 58.45 0.05 . 1 . . . A 79 ILE CA . 18797 1 351 . 1 1 79 79 ILE CB C 13 42.10 0.05 . 1 . . . A 79 ILE CB . 18797 1 352 . 1 1 79 79 ILE N N 15 120.65 0.05 . 1 . . . A 79 ILE N . 18797 1 353 . 1 1 80 80 TYR H H 1 8.36 0.02 . 1 . . . A 80 TYR H . 18797 1 354 . 1 1 80 80 TYR C C 13 173.00 0.05 . 1 . . . A 80 TYR C . 18797 1 355 . 1 1 80 80 TYR CA C 13 55.98 0.05 . 1 . . . A 80 TYR CA . 18797 1 356 . 1 1 80 80 TYR CB C 13 41.03 0.05 . 1 . . . A 80 TYR CB . 18797 1 357 . 1 1 80 80 TYR N N 15 120.58 0.05 . 1 . . . A 80 TYR N . 18797 1 358 . 1 1 81 81 GLY H H 1 8.05 0.02 . 1 . . . A 81 GLY H . 18797 1 359 . 1 1 81 81 GLY C C 13 170.92 0.05 . 1 . . . A 81 GLY C . 18797 1 360 . 1 1 81 81 GLY CA C 13 44.00 0.05 . 1 . . . A 81 GLY CA . 18797 1 361 . 1 1 81 81 GLY N N 15 106.14 0.05 . 1 . . . A 81 GLY N . 18797 1 362 . 1 1 82 82 VAL H H 1 8.49 0.02 . 1 . . . A 82 VAL H . 18797 1 363 . 1 1 82 82 VAL C C 13 174.37 0.05 . 1 . . . A 82 VAL C . 18797 1 364 . 1 1 82 82 VAL CA C 13 58.18 0.05 . 1 . . . A 82 VAL CA . 18797 1 365 . 1 1 82 82 VAL CB C 13 35.44 0.05 . 1 . . . A 82 VAL CB . 18797 1 366 . 1 1 82 82 VAL N N 15 111.38 0.05 . 1 . . . A 82 VAL N . 18797 1 367 . 1 1 83 83 VAL H H 1 8.97 0.02 . 1 . . . A 83 VAL H . 18797 1 368 . 1 1 83 83 VAL C C 13 174.68 0.05 . 1 . . . A 83 VAL C . 18797 1 369 . 1 1 83 83 VAL CA C 13 59.09 0.05 . 1 . . . A 83 VAL CA . 18797 1 370 . 1 1 83 83 VAL CB C 13 36.02 0.05 . 1 . . . A 83 VAL CB . 18797 1 371 . 1 1 83 83 VAL N N 15 113.66 0.05 . 1 . . . A 83 VAL N . 18797 1 372 . 1 1 84 84 GLY H H 1 8.48 0.02 . 1 . . . A 84 GLY H . 18797 1 373 . 1 1 84 84 GLY C C 13 171.44 0.05 . 1 . . . A 84 GLY C . 18797 1 374 . 1 1 84 84 GLY CA C 13 46.77 0.05 . 1 . . . A 84 GLY CA . 18797 1 375 . 1 1 84 84 GLY N N 15 108.31 0.05 . 1 . . . A 84 GLY N . 18797 1 376 . 1 1 85 85 VAL H H 1 8.92 0.02 . 1 . . . A 85 VAL H . 18797 1 377 . 1 1 85 85 VAL C C 13 172.56 0.05 . 1 . . . A 85 VAL C . 18797 1 378 . 1 1 85 85 VAL CA C 13 59.17 0.05 . 1 . . . A 85 VAL CA . 18797 1 379 . 1 1 85 85 VAL CB C 13 35.81 0.05 . 1 . . . A 85 VAL CB . 18797 1 380 . 1 1 85 85 VAL N N 15 122.52 0.05 . 1 . . . A 85 VAL N . 18797 1 381 . 1 1 86 86 GLY H H 1 8.88 0.02 . 1 . . . A 86 GLY H . 18797 1 382 . 1 1 86 86 GLY C C 13 172.21 0.05 . 1 . . . A 86 GLY C . 18797 1 383 . 1 1 86 86 GLY CA C 13 43.28 0.05 . 1 . . . A 86 GLY CA . 18797 1 384 . 1 1 86 86 GLY N N 15 113.36 0.05 . 1 . . . A 86 GLY N . 18797 1 385 . 1 1 87 87 TYR H H 1 9.31 0.02 . 1 . . . A 87 TYR H . 18797 1 386 . 1 1 87 87 TYR C C 13 174.03 0.05 . 1 . . . A 87 TYR C . 18797 1 387 . 1 1 87 87 TYR CA C 13 55.93 0.05 . 1 . . . A 87 TYR CA . 18797 1 388 . 1 1 87 87 TYR CB C 13 42.03 0.05 . 1 . . . A 87 TYR CB . 18797 1 389 . 1 1 87 87 TYR N N 15 123.83 0.05 . 1 . . . A 87 TYR N . 18797 1 390 . 1 1 88 88 GLY H H 1 8.00 0.02 . 1 . . . A 88 GLY H . 18797 1 391 . 1 1 88 88 GLY C C 13 170.62 0.05 . 1 . . . A 88 GLY C . 18797 1 392 . 1 1 88 88 GLY CA C 13 44.40 0.05 . 1 . . . A 88 GLY CA . 18797 1 393 . 1 1 88 88 GLY N N 15 112.30 0.05 . 1 . . . A 88 GLY N . 18797 1 394 . 1 1 89 89 LYS H H 1 8.23 0.02 . 1 . . . A 89 LYS H . 18797 1 395 . 1 1 89 89 LYS CA C 13 54.48 0.05 . 1 . . . A 89 LYS CA . 18797 1 396 . 1 1 89 89 LYS N N 15 122.41 0.05 . 1 . . . A 89 LYS N . 18797 1 397 . 1 1 90 90 PHE C C 13 175.19 0.05 . 1 . . . A 90 PHE C . 18797 1 398 . 1 1 90 90 PHE CA C 13 55.03 0.05 . 1 . . . A 90 PHE CA . 18797 1 399 . 1 1 90 90 PHE CB C 13 40.51 0.05 . 1 . . . A 90 PHE CB . 18797 1 400 . 1 1 91 91 GLN H H 1 8.37 0.02 . 1 . . . A 91 GLN H . 18797 1 401 . 1 1 91 91 GLN CA C 13 55.33 0.05 . 1 . . . A 91 GLN CA . 18797 1 402 . 1 1 91 91 GLN CB C 13 29.70 0.05 . 1 . . . A 91 GLN CB . 18797 1 403 . 1 1 91 91 GLN N N 15 122.38 0.05 . 1 . . . A 91 GLN N . 18797 1 404 . 1 1 94 94 GLU C C 13 175.78 0.05 . 1 . . . A 94 GLU N . 18797 1 405 . 1 1 94 94 GLU CA C 13 57.03 0.05 . 1 . . . A 94 GLU CA . 18797 1 406 . 1 1 94 94 GLU CB C 13 29.46 0.05 . 1 . . . A 94 GLU CB . 18797 1 407 . 1 1 95 95 TYR H H 1 7.83 0.02 . 1 . . . A 95 TYR H . 18797 1 408 . 1 1 95 95 TYR CA C 13 55.29 0.05 . 1 . . . A 95 TYR CA . 18797 1 409 . 1 1 95 95 TYR CB C 13 37.73 0.05 . 1 . . . A 95 TYR CB . 18797 1 410 . 1 1 95 95 TYR N N 15 120.24 0.05 . 1 . . . A 95 TYR N . 18797 1 411 . 1 1 97 97 THR C C 13 174.32 0.05 . 1 . . . A 97 THR H . 18797 1 412 . 1 1 97 97 THR CA C 13 62.21 0.05 . 1 . . . A 97 THR CA . 18797 1 413 . 1 1 98 98 TYR H H 1 8.04 0.02 . 1 . . . A 98 TYR H . 18797 1 414 . 1 1 98 98 TYR C C 13 175.00 0.05 . 1 . . . A 98 TYR C . 18797 1 415 . 1 1 98 98 TYR CA C 13 57.53 0.05 . 1 . . . A 98 TYR CA . 18797 1 416 . 1 1 98 98 TYR CB C 13 38.35 0.05 . 1 . . . A 98 TYR CB . 18797 1 417 . 1 1 98 98 TYR N N 15 122.54 0.05 . 1 . . . A 98 TYR N . 18797 1 418 . 1 1 101 101 ASP C C 13 176.04 0.05 . 1 . . . A 101 ASP H . 18797 1 419 . 1 1 101 101 ASP CA C 13 54.02 0.05 . 1 . . . A 101 ASP CA . 18797 1 420 . 1 1 101 101 ASP CB C 13 39.70 0.05 . 1 . . . A 101 ASP CB . 18797 1 421 . 1 1 102 102 THR H H 1 8.52 0.02 . 1 . . . A 102 THR H . 18797 1 422 . 1 1 102 102 THR C C 13 173.84 0.05 . 1 . . . A 102 THR C . 18797 1 423 . 1 1 102 102 THR CA C 13 61.59 0.05 . 1 . . . A 102 THR CA . 18797 1 424 . 1 1 102 102 THR CB C 13 69.97 0.05 . 1 . . . A 102 THR CB . 18797 1 425 . 1 1 102 102 THR N N 15 117.65 0.05 . 1 . . . A 102 THR N . 18797 1 426 . 1 1 103 103 SER H H 1 8.24 0.02 . 1 . . . A 103 SER H . 18797 1 427 . 1 1 103 103 SER C C 13 173.58 0.05 . 1 . . . A 103 SER C . 18797 1 428 . 1 1 103 103 SER CA C 13 57.31 0.05 . 1 . . . A 103 SER CA . 18797 1 429 . 1 1 103 103 SER N N 15 119.47 0.05 . 1 . . . A 103 SER N . 18797 1 430 . 1 1 104 104 ASP H H 1 8.27 0.02 . 1 . . . A 104 ASP H . 18797 1 431 . 1 1 104 104 ASP C C 13 173.10 0.05 . 1 . . . A 104 ASP C . 18797 1 432 . 1 1 104 104 ASP CA C 13 53.60 0.05 . 1 . . . A 104 ASP CA . 18797 1 433 . 1 1 104 104 ASP CB C 13 44.06 0.05 . 1 . . . A 104 ASP CB . 18797 1 434 . 1 1 104 104 ASP N N 15 122.25 0.05 . 1 . . . A 104 ASP N . 18797 1 435 . 1 1 105 105 TYR H H 1 8.56 0.02 . 1 . . . A 105 TYR H . 18797 1 436 . 1 1 105 105 TYR C C 13 175.86 0.05 . 1 . . . A 105 TYR C . 18797 1 437 . 1 1 105 105 TYR CA C 13 55.55 0.05 . 1 . . . A 105 TYR CA . 18797 1 438 . 1 1 105 105 TYR CB C 13 41.63 0.05 . 1 . . . A 105 TYR CB . 18797 1 439 . 1 1 105 105 TYR N N 15 116.04 0.05 . 1 . . . A 105 TYR N . 18797 1 440 . 1 1 106 106 GLY H H 1 9.19 0.02 . 1 . . . A 106 GLY H . 18797 1 441 . 1 1 106 106 GLY C C 13 172.03 0.05 . 1 . . . A 106 GLY C . 18797 1 442 . 1 1 106 106 GLY CA C 13 44.49 0.05 . 1 . . . A 106 GLY CA . 18797 1 443 . 1 1 106 106 GLY N N 15 108.50 0.05 . 1 . . . A 106 GLY N . 18797 1 444 . 1 1 107 107 PHE H H 1 8.86 0.02 . 1 . . . A 107 PHE H . 18797 1 445 . 1 1 107 107 PHE C C 13 175.43 0.05 . 1 . . . A 107 PHE C . 18797 1 446 . 1 1 107 107 PHE CA C 13 57.54 0.05 . 1 . . . A 107 PHE CA . 18797 1 447 . 1 1 107 107 PHE CB C 13 40.20 0.05 . 1 . . . A 107 PHE CB . 18797 1 448 . 1 1 107 107 PHE N N 15 121.42 0.05 . 1 . . . A 107 PHE N . 18797 1 449 . 1 1 108 108 SER H H 1 8.11 0.02 . 1 . . . A 108 SER H . 18797 1 450 . 1 1 108 108 SER C C 13 171.43 0.05 . 1 . . . A 108 SER C . 18797 1 451 . 1 1 108 108 SER CA C 13 56.10 0.05 . 1 . . . A 108 SER CA . 18797 1 452 . 1 1 108 108 SER CB C 13 65.72 0.05 . 1 . . . A 108 SER CB . 18797 1 453 . 1 1 108 108 SER N N 15 123.25 0.05 . 1 . . . A 108 SER N . 18797 1 454 . 1 1 109 109 TYR H H 1 8.48 0.02 . 1 . . . A 109 TYR H . 18797 1 455 . 1 1 109 109 TYR C C 13 173.56 0.05 . 1 . . . A 109 TYR C . 18797 1 456 . 1 1 109 109 TYR CA C 13 55.32 0.05 . 1 . . . A 109 TYR CA . 18797 1 457 . 1 1 109 109 TYR CB C 13 39.56 0.05 . 1 . . . A 109 TYR CB . 18797 1 458 . 1 1 109 109 TYR N N 15 117.84 0.05 . 1 . . . A 109 TYR N . 18797 1 459 . 1 1 110 110 GLY H H 1 8.98 0.02 . 1 . . . A 110 GLY H . 18797 1 460 . 1 1 110 110 GLY C C 13 171.35 0.05 . 1 . . . A 110 GLY C . 18797 1 461 . 1 1 110 110 GLY CA C 13 46.16 0.05 . 1 . . . A 110 GLY CA . 18797 1 462 . 1 1 110 110 GLY N N 15 106.40 0.05 . 1 . . . A 110 GLY N . 18797 1 463 . 1 1 111 111 ALA H H 1 8.39 0.02 . 1 . . . A 111 ALA H . 18797 1 464 . 1 1 111 111 ALA C C 13 174.64 0.05 . 1 . . . A 111 ALA C . 18797 1 465 . 1 1 111 111 ALA CA C 13 50.97 0.05 . 1 . . . A 111 ALA CA . 18797 1 466 . 1 1 111 111 ALA CB C 13 22.15 0.05 . 1 . . . A 111 ALA CB . 18797 1 467 . 1 1 111 111 ALA N N 15 119.14 0.05 . 1 . . . A 111 ALA N . 18797 1 468 . 1 1 112 112 GLY H H 1 7.82 0.02 . 1 . . . A 112 GLY H . 18797 1 469 . 1 1 112 112 GLY C C 13 169.77 0.05 . 1 . . . A 112 GLY C . 18797 1 470 . 1 1 112 112 GLY CA C 13 45.27 0.05 . 1 . . . A 112 GLY CA . 18797 1 471 . 1 1 112 112 GLY N N 15 106.07 0.05 . 1 . . . A 112 GLY N . 18797 1 472 . 1 1 113 113 LEU H H 1 8.93 0.02 . 1 . . . A 113 LEU H . 18797 1 473 . 1 1 113 113 LEU C C 13 175.09 0.05 . 1 . . . A 113 LEU C . 18797 1 474 . 1 1 113 113 LEU CA C 13 52.69 0.05 . 1 . . . A 113 LEU CA . 18797 1 475 . 1 1 113 113 LEU CB C 13 46.56 0.05 . 1 . . . A 113 LEU CB . 18797 1 476 . 1 1 113 113 LEU N N 15 116.37 0.05 . 1 . . . A 113 LEU N . 18797 1 477 . 1 1 114 114 GLN H H 1 7.86 0.02 . 1 . . . A 114 GLN H . 18797 1 478 . 1 1 114 114 GLN C C 13 176.91 0.05 . 1 . . . A 114 GLN C . 18797 1 479 . 1 1 114 114 GLN CA C 13 53.73 0.05 . 1 . . . A 114 GLN CA . 18797 1 480 . 1 1 114 114 GLN CB C 13 33.29 0.05 . 1 . . . A 114 GLN CB . 18797 1 481 . 1 1 114 114 GLN N N 15 115.86 0.05 . 1 . . . A 114 GLN N . 18797 1 482 . 1 1 115 115 PHE H H 1 9.75 0.02 . 1 . . . A 115 PHE H . 18797 1 483 . 1 1 115 115 PHE C C 13 175.74 0.05 . 1 . . . A 115 PHE C . 18797 1 484 . 1 1 115 115 PHE CA C 13 55.20 0.05 . 1 . . . A 115 PHE CA . 18797 1 485 . 1 1 115 115 PHE CB C 13 43.37 0.05 . 1 . . . A 115 PHE CB . 18797 1 486 . 1 1 115 115 PHE N N 15 126.58 0.05 . 1 . . . A 115 PHE N . 18797 1 487 . 1 1 116 116 ASN H H 1 9.45 0.02 . 1 . . . A 116 ASN H . 18797 1 488 . 1 1 116 116 ASN CA C 13 51.20 0.05 . 1 . . . A 116 ASN CA . 18797 1 489 . 1 1 116 116 ASN CB C 13 40.65 0.05 . 1 . . . A 116 ASN CB . 18797 1 490 . 1 1 116 116 ASN N N 15 119.92 0.05 . 1 . . . A 116 ASN N . 18797 1 491 . 1 1 117 117 PRO CA C 13 63.70 0.05 . 1 . . . A 117 PRO CA . 18797 1 492 . 1 1 118 118 MET H H 1 7.31 0.02 . 1 . . . A 118 MET H . 18797 1 493 . 1 1 118 118 MET C C 13 176.13 0.05 . 1 . . . A 118 MET C . 18797 1 494 . 1 1 118 118 MET CA C 13 53.98 0.05 . 1 . . . A 118 MET CA . 18797 1 495 . 1 1 118 118 MET CB C 13 36.31 0.05 . 1 . . . A 118 MET CB . 18797 1 496 . 1 1 118 118 MET N N 15 110.53 0.05 . 1 . . . A 118 MET N . 18797 1 497 . 1 1 119 119 GLU H H 1 9.12 0.02 . 1 . . . A 119 GLU H . 18797 1 498 . 1 1 119 119 GLU C C 13 176.81 0.05 . 1 . . . A 119 GLU C . 18797 1 499 . 1 1 119 119 GLU CA C 13 59.60 0.05 . 1 . . . A 119 GLU CA . 18797 1 500 . 1 1 119 119 GLU CB C 13 29.15 0.05 . 1 . . . A 119 GLU CB . 18797 1 501 . 1 1 119 119 GLU N N 15 120.32 0.05 . 1 . . . A 119 GLU N . 18797 1 502 . 1 1 120 120 ASN H H 1 8.43 0.02 . 1 . . . A 120 ASN H . 18797 1 503 . 1 1 120 120 ASN C C 13 174.08 0.05 . 1 . . . A 120 ASN C . 18797 1 504 . 1 1 120 120 ASN CA C 13 53.40 0.05 . 1 . . . A 120 ASN CA . 18797 1 505 . 1 1 120 120 ASN CB C 13 38.83 0.05 . 1 . . . A 120 ASN CB . 18797 1 506 . 1 1 120 120 ASN N N 15 112.49 0.05 . 1 . . . A 120 ASN N . 18797 1 507 . 1 1 121 121 VAL H H 1 7.50 0.02 . 1 . . . A 121 VAL H . 18797 1 508 . 1 1 121 121 VAL C C 13 174.75 0.05 . 1 . . . A 121 VAL C . 18797 1 509 . 1 1 121 121 VAL CA C 13 60.69 0.05 . 1 . . . A 121 VAL CA . 18797 1 510 . 1 1 121 121 VAL CB C 13 34.90 0.05 . 1 . . . A 121 VAL CB . 18797 1 511 . 1 1 121 121 VAL N N 15 117.76 0.05 . 1 . . . A 121 VAL N . 18797 1 512 . 1 1 122 122 ALA H H 1 8.23 0.02 . 1 . . . A 122 ALA H . 18797 1 513 . 1 1 122 122 ALA C C 13 175.14 0.05 . 1 . . . A 122 ALA C . 18797 1 514 . 1 1 122 122 ALA CA C 13 49.39 0.05 . 1 . . . A 122 ALA CA . 18797 1 515 . 1 1 122 122 ALA CB C 13 22.82 0.05 . 1 . . . A 122 ALA CB . 18797 1 516 . 1 1 122 122 ALA N N 15 127.19 0.05 . 1 . . . A 122 ALA N . 18797 1 517 . 1 1 123 123 LEU H H 1 8.91 0.02 . 1 . . . A 123 LEU H . 18797 1 518 . 1 1 123 123 LEU C C 13 174.31 0.05 . 1 . . . A 123 LEU C . 18797 1 519 . 1 1 123 123 LEU CA C 13 53.66 0.05 . 1 . . . A 123 LEU CA . 18797 1 520 . 1 1 123 123 LEU CB C 13 44.51 0.05 . 1 . . . A 123 LEU CB . 18797 1 521 . 1 1 123 123 LEU N N 15 120.27 0.05 . 1 . . . A 123 LEU N . 18797 1 522 . 1 1 124 124 ASP H H 1 8.58 0.02 . 1 . . . A 124 ASP H . 18797 1 523 . 1 1 124 124 ASP C C 13 171.83 0.05 . 1 . . . A 124 ASP C . 18797 1 524 . 1 1 124 124 ASP CA C 13 53.82 0.05 . 1 . . . A 124 ASP CA . 18797 1 525 . 1 1 124 124 ASP CB C 13 47.49 0.05 . 1 . . . A 124 ASP CB . 18797 1 526 . 1 1 124 124 ASP N N 15 127.35 0.05 . 1 . . . A 124 ASP N . 18797 1 527 . 1 1 125 125 PHE H H 1 8.67 0.02 . 1 . . . A 125 PHE H . 18797 1 528 . 1 1 125 125 PHE C C 13 174.13 0.05 . 1 . . . A 125 PHE C . 18797 1 529 . 1 1 125 125 PHE CA C 13 55.66 0.05 . 1 . . . A 125 PHE CA . 18797 1 530 . 1 1 125 125 PHE CB C 13 42.70 0.05 . 1 . . . A 125 PHE CB . 18797 1 531 . 1 1 125 125 PHE N N 15 123.39 0.05 . 1 . . . A 125 PHE N . 18797 1 532 . 1 1 126 126 SER H H 1 9.39 0.02 . 1 . . . A 126 SER H . 18797 1 533 . 1 1 126 126 SER C C 13 169.98 0.05 . 1 . . . A 126 SER C . 18797 1 534 . 1 1 126 126 SER CA C 13 58.12 0.05 . 1 . . . A 126 SER CA . 18797 1 535 . 1 1 126 126 SER CB C 13 66.95 0.05 . 1 . . . A 126 SER CB . 18797 1 536 . 1 1 126 126 SER N N 15 118.68 0.05 . 1 . . . A 126 SER N . 18797 1 537 . 1 1 127 127 TYR H H 1 8.61 0.02 . 1 . . . A 127 TYR H . 18797 1 538 . 1 1 127 127 TYR C C 13 174.39 0.05 . 1 . . . A 127 TYR C . 18797 1 539 . 1 1 127 127 TYR CA C 13 55.44 0.05 . 1 . . . A 127 TYR CA . 18797 1 540 . 1 1 127 127 TYR CB C 13 43.10 0.05 . 1 . . . A 127 TYR CB . 18797 1 541 . 1 1 127 127 TYR N N 15 119.08 0.05 . 1 . . . A 127 TYR N . 18797 1 542 . 1 1 128 128 GLU H H 1 8.51 0.02 . 1 . . . A 128 GLU H . 18797 1 543 . 1 1 128 128 GLU C C 13 172.59 0.05 . 1 . . . A 128 GLU C . 18797 1 544 . 1 1 128 128 GLU CA C 13 54.13 0.05 . 1 . . . A 128 GLU CA . 18797 1 545 . 1 1 128 128 GLU CB C 13 33.50 0.05 . 1 . . . A 128 GLU CB . 18797 1 546 . 1 1 128 128 GLU N N 15 130.07 0.05 . 1 . . . A 128 GLU N . 18797 1 547 . 1 1 129 129 GLN H H 1 9.33 0.02 . 1 . . . A 129 GLN H . 18797 1 548 . 1 1 129 129 GLN C C 13 173.69 0.05 . 1 . . . A 129 GLN C . 18797 1 549 . 1 1 129 129 GLN CA C 13 53.21 0.05 . 1 . . . A 129 GLN CA . 18797 1 550 . 1 1 129 129 GLN CB C 13 31.05 0.05 . 1 . . . A 129 GLN CB . 18797 1 551 . 1 1 129 129 GLN N N 15 128.67 0.05 . 1 . . . A 129 GLN N . 18797 1 552 . 1 1 130 130 SER H H 1 8.58 0.02 . 1 . . . A 130 SER H . 18797 1 553 . 1 1 130 130 SER C C 13 174.21 0.05 . 1 . . . A 130 SER C . 18797 1 554 . 1 1 130 130 SER CA C 13 56.45 0.05 . 1 . . . A 130 SER CA . 18797 1 555 . 1 1 130 130 SER CB C 13 66.26 0.05 . 1 . . . A 130 SER CB . 18797 1 556 . 1 1 130 130 SER N N 15 118.63 0.05 . 1 . . . A 130 SER N . 18797 1 557 . 1 1 131 131 ARG H H 1 7.69 0.02 . 1 . . . A 131 ARG H . 18797 1 558 . 1 1 131 131 ARG C C 13 174.74 0.05 . 1 . . . A 131 ARG C . 18797 1 559 . 1 1 131 131 ARG CA C 13 55.34 0.05 . 1 . . . A 131 ARG CA . 18797 1 560 . 1 1 131 131 ARG CB C 13 30.91 0.05 . 1 . . . A 131 ARG CB . 18797 1 561 . 1 1 131 131 ARG N N 15 126.85 0.05 . 1 . . . A 131 ARG N . 18797 1 562 . 1 1 132 132 ILE H H 1 8.73 0.02 . 1 . . . A 132 ILE H . 18797 1 563 . 1 1 132 132 ILE C C 13 175.50 0.05 . 1 . . . A 132 ILE C . 18797 1 564 . 1 1 132 132 ILE CA C 13 58.89 0.05 . 1 . . . A 132 ILE CA . 18797 1 565 . 1 1 132 132 ILE CB C 13 38.32 0.05 . 1 . . . A 132 ILE CB . 18797 1 566 . 1 1 132 132 ILE N N 15 129.47 0.05 . 1 . . . A 132 ILE N . 18797 1 567 . 1 1 133 133 ARG H H 1 9.40 0.02 . 1 . . . A 133 ARG H . 18797 1 568 . 1 1 133 133 ARG CA C 13 58.11 0.05 . 1 . . . A 133 ARG CA . 18797 1 569 . 1 1 133 133 ARG CB C 13 27.32 0.05 . 1 . . . A 133 ARG CB . 18797 1 570 . 1 1 133 133 ARG N N 15 127.22 0.05 . 1 . . . A 133 ARG N . 18797 1 571 . 1 1 134 134 SER C C 13 173.29 0.05 . 1 . . . A 134 SER C . 18797 1 572 . 1 1 134 134 SER CA C 13 58.49 0.05 . 1 . . . A 134 SER CA . 18797 1 573 . 1 1 134 134 SER CB C 13 62.86 0.05 . 1 . . . A 134 SER CB . 18797 1 574 . 1 1 135 135 VAL H H 1 8.27 0.02 . 1 . . . A 135 VAL H . 18797 1 575 . 1 1 135 135 VAL C C 13 174.65 0.05 . 1 . . . A 135 VAL C . 18797 1 576 . 1 1 135 135 VAL CA C 13 61.87 0.05 . 1 . . . A 135 VAL CA . 18797 1 577 . 1 1 135 135 VAL CB C 13 32.06 0.05 . 1 . . . A 135 VAL CB . 18797 1 578 . 1 1 135 135 VAL N N 15 124.81 0.05 . 1 . . . A 135 VAL N . 18797 1 579 . 1 1 136 136 ASP H H 1 8.01 0.02 . 1 . . . A 136 ASP H . 18797 1 580 . 1 1 136 136 ASP C C 13 175.13 0.05 . 1 . . . A 136 ASP C . 18797 1 581 . 1 1 136 136 ASP CA C 13 54.22 0.05 . 1 . . . A 136 ASP CA . 18797 1 582 . 1 1 136 136 ASP CB C 13 41.75 0.05 . 1 . . . A 136 ASP CB . 18797 1 583 . 1 1 136 136 ASP N N 15 127.75 0.05 . 1 . . . A 136 ASP N . 18797 1 584 . 1 1 137 137 VAL H H 1 8.72 0.02 . 1 . . . A 137 VAL H . 18797 1 585 . 1 1 137 137 VAL C C 13 174.69 0.05 . 1 . . . A 137 VAL C . 18797 1 586 . 1 1 137 137 VAL CA C 13 60.45 0.05 . 1 . . . A 137 VAL CA . 18797 1 587 . 1 1 137 137 VAL CB C 13 32.80 0.05 . 1 . . . A 137 VAL CB . 18797 1 588 . 1 1 137 137 VAL N N 15 124.52 0.05 . 1 . . . A 137 VAL N . 18797 1 589 . 1 1 138 138 GLY H H 1 8.24 0.02 . 1 . . . A 138 GLY H . 18797 1 590 . 1 1 138 138 GLY C C 13 172.93 0.05 . 1 . . . A 138 GLY C . 18797 1 591 . 1 1 138 138 GLY CA C 13 44.48 0.05 . 1 . . . A 138 GLY CA . 18797 1 592 . 1 1 138 138 GLY N N 15 116.92 0.05 . 1 . . . A 138 GLY N . 18797 1 593 . 1 1 139 139 THR H H 1 8.71 0.02 . 1 . . . A 139 THR H . 18797 1 594 . 1 1 139 139 THR C C 13 171.92 0.05 . 1 . . . A 139 THR C . 18797 1 595 . 1 1 139 139 THR CA C 13 60.89 0.05 . 1 . . . A 139 THR CA . 18797 1 596 . 1 1 139 139 THR CB C 13 70.29 0.05 . 1 . . . A 139 THR CB . 18797 1 597 . 1 1 139 139 THR N N 15 125.07 0.05 . 1 . . . A 139 THR N . 18797 1 598 . 1 1 140 140 TRP H H 1 8.33 0.02 . 1 . . . A 140 TRP H . 18797 1 599 . 1 1 140 140 TRP C C 13 175.07 0.05 . 1 . . . A 140 TRP C . 18797 1 600 . 1 1 140 140 TRP CA C 13 55.13 0.05 . 1 . . . A 140 TRP CA . 18797 1 601 . 1 1 140 140 TRP CB C 13 32.10 0.05 . 1 . . . A 140 TRP CB . 18797 1 602 . 1 1 140 140 TRP N N 15 125.84 0.05 . 1 . . . A 140 TRP N . 18797 1 603 . 1 1 141 141 ILE H H 1 8.98 0.02 . 1 . . . A 141 ILE H . 18797 1 604 . 1 1 141 141 ILE C C 13 174.87 0.05 . 1 . . . A 141 ILE C . 18797 1 605 . 1 1 141 141 ILE CA C 13 60.39 0.05 . 1 . . . A 141 ILE CA . 18797 1 606 . 1 1 141 141 ILE CB C 13 40.63 0.05 . 1 . . . A 141 ILE CB . 18797 1 607 . 1 1 141 141 ILE N N 15 123.24 0.05 . 1 . . . A 141 ILE N . 18797 1 608 . 1 1 142 142 ALA H H 1 8.35 0.02 . 1 . . . A 142 ALA H . 18797 1 609 . 1 1 142 142 ALA C C 13 175.70 0.05 . 1 . . . A 142 ALA C . 18797 1 610 . 1 1 142 142 ALA CA C 13 50.53 0.05 . 1 . . . A 142 ALA CA . 18797 1 611 . 1 1 142 142 ALA CB C 13 22.21 0.05 . 1 . . . A 142 ALA CB . 18797 1 612 . 1 1 142 142 ALA N N 15 127.68 0.05 . 1 . . . A 142 ALA N . 18797 1 613 . 1 1 143 143 GLY H H 1 9.52 0.02 . 1 . . . A 143 GLY H . 18797 1 614 . 1 1 143 143 GLY C C 13 172.09 0.05 . 1 . . . A 143 GLY C . 18797 1 615 . 1 1 143 143 GLY CA C 13 45.43 0.05 . 1 . . . A 143 GLY CA . 18797 1 616 . 1 1 143 143 GLY N N 15 109.03 0.05 . 1 . . . A 143 GLY N . 18797 1 617 . 1 1 144 144 VAL H H 1 8.75 0.02 . 1 . . . A 144 VAL H . 18797 1 618 . 1 1 144 144 VAL C C 13 174.01 0.05 . 1 . . . A 144 VAL C . 18797 1 619 . 1 1 144 144 VAL CA C 13 58.27 0.05 . 1 . . . A 144 VAL CA . 18797 1 620 . 1 1 144 144 VAL CB C 13 35.49 0.05 . 1 . . . A 144 VAL CB . 18797 1 621 . 1 1 144 144 VAL N N 15 114.11 0.05 . 1 . . . A 144 VAL N . 18797 1 622 . 1 1 145 145 GLY H H 1 8.59 0.02 . 1 . . . A 145 GLY H . 18797 1 623 . 1 1 145 145 GLY C C 13 171.21 0.05 . 1 . . . A 145 GLY C . 18797 1 624 . 1 1 145 145 GLY CA C 13 46.77 0.05 . 1 . . . A 145 GLY CA . 18797 1 625 . 1 1 145 145 GLY N N 15 107.36 0.05 . 1 . . . A 145 GLY N . 18797 1 626 . 1 1 146 146 TYR H H 1 8.37 0.02 . 1 . . . A 146 TYR H . 18797 1 627 . 1 1 146 146 TYR C C 13 172.44 0.05 . 1 . . . A 146 TYR C . 18797 1 628 . 1 1 146 146 TYR CA C 13 55.25 0.05 . 1 . . . A 146 TYR CA . 18797 1 629 . 1 1 146 146 TYR CB C 13 44.27 0.05 . 1 . . . A 146 TYR CB . 18797 1 630 . 1 1 146 146 TYR N N 15 121.96 0.05 . 1 . . . A 146 TYR N . 18797 1 631 . 1 1 147 147 ARG H H 1 7.69 0.02 . 1 . . . A 147 ARG H . 18797 1 632 . 1 1 147 147 ARG C C 13 173.85 0.05 . 1 . . . A 147 ARG C . 18797 1 633 . 1 1 147 147 ARG CA C 13 53.36 0.05 . 1 . . . A 147 ARG CA . 18797 1 634 . 1 1 147 147 ARG CB C 13 32.42 0.05 . 1 . . . A 147 ARG CB . 18797 1 635 . 1 1 147 147 ARG N N 15 129.59 0.05 . 1 . . . A 147 ARG N . 18797 1 636 . 1 1 148 148 PHE H H 1 8.80 0.02 . 1 . . . A 148 PHE H . 18797 1 637 . 1 1 148 148 PHE CA C 13 57.68 0.05 . 1 . . . A 148 PHE CA . 18797 1 638 . 1 1 148 148 PHE CB C 13 39.99 0.05 . 1 . . . A 148 PHE CB . 18797 1 639 . 1 1 148 148 PHE N N 15 128.55 0.05 . 1 . . . A 148 PHE N . 18797 1 stop_ save_