data_4936 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4936 _Entry.Title ; 1H, 13C and 15N chemical shift assignments of the outer membrane protein OmpX from E.coli in DHPC micelles ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-01-09 _Entry.Accession_date 2001-01-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Cesar Fernandez . . . 4936 2 Koba Adeishvili . . . 4936 3 Kurt Wuthrich . . . 4936 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4936 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 140 4936 '13C chemical shifts' 407 4936 '15N chemical shifts' 140 4936 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-09-22 . update author 'update of chemical shift table' 4936 2 . . 2001-07-31 . original author 'original release' 4936 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4936 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11226244 _Citation.Full_citation . _Citation.Title ; Transverse relaxation-optimized NMR spectroscopy with the outer membrane protein OmpX in dihexanoyl phosphatidylcholine micelles. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Science of the USA' _Citation.Journal_volume 98 _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 2358 _Citation.Page_last 2363 _Citation.Year 2001 _Citation.Details ; The data reported here represent the 1H, 13C and 15N chemical shifts of 2H/13C/15N labeled OmpX in DHPC micelles obtained using TROSY-type triple resonance experiments. The size of the OmpX/DHPC particles is of about 60 kDa. ; 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 Cesar Fernandez . . . 4936 1 2 Koba Adeishvili . . . 4936 1 3 Kurt Wuthrich . . . 4936 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'membrane proteins' 4936 1 OmpX 4936 1 TROSY 4936 1 'NMR spectroscopy' 4936 1 'sequential resonance assignment' 4936 1 'isotope labeling' 4936 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4936 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _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 1 _Citation.Page_last 10 _Citation.Year 1995 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Bartels . . . 4936 2 2 T.-H. Xia . . . 4936 2 3 Martin Billeter . . . 4936 2 4 Peter Guntert . . . 4936 2 5 Kurt Wuthrich . . . 4936 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_OmpX _Assembly.Sf_category assembly _Assembly.Sf_framecode system_OmpX _Assembly.Entry_ID 4936 _Assembly.ID 1 _Assembly.Name 'Outer membrane protein X in DHPC micelles' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4936 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OmpX 1 $OmpX . . . native . . . . . 4936 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 . PDB 1QJ8 . . . . . 'X-ray structure' 4936 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Outer membrane protein X in DHPC micelles' system 4936 1 OmpX abbreviation 4936 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; OmpX belongs to a family of highly conserved bacterial proteins that promote bacterial adhesion to mammalian cells and entry into them. Moreover, these proteins have a role in the resistance against attack by the human complement system. ; 4936 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OmpX _Entity.Sf_category entity _Entity.Sf_framecode OmpX _Entity.Entry_ID 4936 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Outer membrane protein X' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATSTVTGGYAQSDAQGQMNK MGGFNLKYRYEEDNSPLGVI GSFTYTEKSRTASSGDYNKN QYYGITAGPAYRINDWASIY GVVGVGYGKFQTTEYPTYKH DTTDYGFSYGAGLQFNPMEN VALDFSYEQSRIRSVDVGTW IAGVGYRF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15201 . Outer_membrane_protein_X . . . . . 100.00 148 99.32 100.00 1.77e-101 . . . . 4936 1 2 no BMRB 18796 . OmpX . . . . . 100.00 148 99.32 100.00 1.77e-101 . . . . 4936 1 3 no BMRB 18797 . OmpX . . . . . 100.00 148 99.32 100.00 1.77e-101 . . . . 4936 1 4 no PDB 1ORM . "Nmr Fold Of The Outer Membrane Protein Ompx In Dhpc Micelles" . . . . . 99.32 148 98.64 100.00 1.38e-99 . . . . 4936 1 5 no PDB 1Q9F . "Nmr Structure Of The Outer Membrane Protein Ompx In Dhpc Micelles" . . . . . 100.00 148 98.65 100.00 2.71e-100 . . . . 4936 1 6 no PDB 1Q9G . "Nmr Structure Of The Outer Membrane Protein Ompx In Dhpc Micelles" . . . . . 100.00 148 98.65 100.00 2.71e-100 . . . . 4936 1 7 no PDB 1QJ8 . "Crystal Structure Of The Outer Membrane Protein Ompx From Escherichia Coli" . . . . . 100.00 148 98.65 100.00 2.71e-100 . . . . 4936 1 8 no PDB 1QJ9 . "Crystal Structure Of The Outer Membrane Protein Ompx From Escherichia Coli" . . . . . 100.00 148 98.65 100.00 2.71e-100 . . . . 4936 1 9 no PDB 2M06 . "Nmr Structure Of Ompx In Phopspholipid Nanodiscs" . . . . . 100.00 148 99.32 100.00 1.77e-101 . . . . 4936 1 10 no PDB 2M07 . "Nmr Structure Of Ompx In Dpc Micelles" . . . . . 100.00 148 99.32 100.00 1.77e-101 . . . . 4936 1 11 no DBJ BAA35486 . "outer membrane protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 12 no DBJ BAB34315 . "outer membrane protein X [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 13 no DBJ BAG76394 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 14 no DBJ BAI24257 . "outer membrane protein X [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 15 no DBJ BAI29701 . "outer membrane protein X [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 16 no EMBL CAP75284 . "Outer membrane protein X [Escherichia coli LF82]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 17 no EMBL CAQ31315 . "outer membrane protein X [Escherichia coli BL21(DE3)]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 18 no EMBL CAQ97717 . "outer membrane protein [Escherichia coli IAI1]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 19 no EMBL CAR02170 . "outer membrane protein [Escherichia coli S88]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 20 no EMBL CAR06985 . "outer membrane protein [Escherichia coli ED1a]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 21 no GB AAA21856 . "similar to outer membrane protein X from Enterobacter cloacae, Swiss-Prot Accession Number P25253; ORF2, partial [Escherichia c" . . . . . 77.03 137 99.12 100.00 5.72e-75 . . . . 4936 1 22 no GB AAA66329 . "outer membrane protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 23 no GB AAC73901 . "outer membrane protein X [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 24 no GB AAG55186 . "outer membrane protein X [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 25 no GB AAN42399 . "outer membrane protein X [Shigella flexneri 2a str. 301]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 26 no REF NP_286578 . "outer membrane protein X [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 27 no REF NP_308919 . "outer membrane protein X [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 28 no REF NP_415335 . "outer membrane protein X [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 29 no REF NP_706692 . "outer membrane protein X [Shigella flexneri 2a str. 301]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 30 no REF NP_752830 . "outer membrane protein X [Escherichia coli CFT073]" . . . . . 100.00 173 99.32 100.00 1.71e-102 . . . . 4936 1 31 no SP P0A917 . "RecName: Full=Outer membrane protein X; Flags: Precursor [Escherichia coli K-12]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 32 no SP P0A918 . "RecName: Full=Outer membrane protein X; Flags: Precursor [Escherichia coli CFT073]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 33 no SP P0A919 . "RecName: Full=Outer membrane protein X; Flags: Precursor [Escherichia coli O157:H7]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 34 no SP P0A920 . "RecName: Full=Outer membrane protein X; Flags: Precursor [Shigella flexneri]" . . . . . 100.00 171 99.32 100.00 1.93e-102 . . . . 4936 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Outer membrane protein X' common 4936 1 H100N variant 4936 1 OmpX abbreviation 4936 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 . ALA . 4936 1 2 . THR . 4936 1 3 . SER . 4936 1 4 . THR . 4936 1 5 . VAL . 4936 1 6 . THR . 4936 1 7 . GLY . 4936 1 8 . GLY . 4936 1 9 . TYR . 4936 1 10 . ALA . 4936 1 11 . GLN . 4936 1 12 . SER . 4936 1 13 . ASP . 4936 1 14 . ALA . 4936 1 15 . GLN . 4936 1 16 . GLY . 4936 1 17 . GLN . 4936 1 18 . MET . 4936 1 19 . ASN . 4936 1 20 . LYS . 4936 1 21 . MET . 4936 1 22 . GLY . 4936 1 23 . GLY . 4936 1 24 . PHE . 4936 1 25 . ASN . 4936 1 26 . LEU . 4936 1 27 . LYS . 4936 1 28 . TYR . 4936 1 29 . ARG . 4936 1 30 . TYR . 4936 1 31 . GLU . 4936 1 32 . GLU . 4936 1 33 . ASP . 4936 1 34 . ASN . 4936 1 35 . SER . 4936 1 36 . PRO . 4936 1 37 . LEU . 4936 1 38 . GLY . 4936 1 39 . VAL . 4936 1 40 . ILE . 4936 1 41 . GLY . 4936 1 42 . SER . 4936 1 43 . PHE . 4936 1 44 . THR . 4936 1 45 . TYR . 4936 1 46 . THR . 4936 1 47 . GLU . 4936 1 48 . LYS . 4936 1 49 . SER . 4936 1 50 . ARG . 4936 1 51 . THR . 4936 1 52 . ALA . 4936 1 53 . SER . 4936 1 54 . SER . 4936 1 55 . GLY . 4936 1 56 . ASP . 4936 1 57 . TYR . 4936 1 58 . ASN . 4936 1 59 . LYS . 4936 1 60 . ASN . 4936 1 61 . GLN . 4936 1 62 . TYR . 4936 1 63 . TYR . 4936 1 64 . GLY . 4936 1 65 . ILE . 4936 1 66 . THR . 4936 1 67 . ALA . 4936 1 68 . GLY . 4936 1 69 . PRO . 4936 1 70 . ALA . 4936 1 71 . TYR . 4936 1 72 . ARG . 4936 1 73 . ILE . 4936 1 74 . ASN . 4936 1 75 . ASP . 4936 1 76 . TRP . 4936 1 77 . ALA . 4936 1 78 . SER . 4936 1 79 . ILE . 4936 1 80 . TYR . 4936 1 81 . GLY . 4936 1 82 . VAL . 4936 1 83 . VAL . 4936 1 84 . GLY . 4936 1 85 . VAL . 4936 1 86 . GLY . 4936 1 87 . TYR . 4936 1 88 . GLY . 4936 1 89 . LYS . 4936 1 90 . PHE . 4936 1 91 . GLN . 4936 1 92 . THR . 4936 1 93 . THR . 4936 1 94 . GLU . 4936 1 95 . TYR . 4936 1 96 . PRO . 4936 1 97 . THR . 4936 1 98 . TYR . 4936 1 99 . LYS . 4936 1 100 . HIS . 4936 1 101 . ASP . 4936 1 102 . THR . 4936 1 103 . THR . 4936 1 104 . ASP . 4936 1 105 . TYR . 4936 1 106 . GLY . 4936 1 107 . PHE . 4936 1 108 . SER . 4936 1 109 . TYR . 4936 1 110 . GLY . 4936 1 111 . ALA . 4936 1 112 . GLY . 4936 1 113 . LEU . 4936 1 114 . GLN . 4936 1 115 . PHE . 4936 1 116 . ASN . 4936 1 117 . PRO . 4936 1 118 . MET . 4936 1 119 . GLU . 4936 1 120 . ASN . 4936 1 121 . VAL . 4936 1 122 . ALA . 4936 1 123 . LEU . 4936 1 124 . ASP . 4936 1 125 . PHE . 4936 1 126 . SER . 4936 1 127 . TYR . 4936 1 128 . GLU . 4936 1 129 . GLN . 4936 1 130 . SER . 4936 1 131 . ARG . 4936 1 132 . ILE . 4936 1 133 . ARG . 4936 1 134 . SER . 4936 1 135 . VAL . 4936 1 136 . ASP . 4936 1 137 . VAL . 4936 1 138 . GLY . 4936 1 139 . THR . 4936 1 140 . TRP . 4936 1 141 . ILE . 4936 1 142 . ALA . 4936 1 143 . GLY . 4936 1 144 . VAL . 4936 1 145 . GLY . 4936 1 146 . TYR . 4936 1 147 . ARG . 4936 1 148 . PHE . 4936 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 4936 1 . THR 2 2 4936 1 . SER 3 3 4936 1 . THR 4 4 4936 1 . VAL 5 5 4936 1 . THR 6 6 4936 1 . GLY 7 7 4936 1 . GLY 8 8 4936 1 . TYR 9 9 4936 1 . ALA 10 10 4936 1 . GLN 11 11 4936 1 . SER 12 12 4936 1 . ASP 13 13 4936 1 . ALA 14 14 4936 1 . GLN 15 15 4936 1 . GLY 16 16 4936 1 . GLN 17 17 4936 1 . MET 18 18 4936 1 . ASN 19 19 4936 1 . LYS 20 20 4936 1 . MET 21 21 4936 1 . GLY 22 22 4936 1 . GLY 23 23 4936 1 . PHE 24 24 4936 1 . ASN 25 25 4936 1 . LEU 26 26 4936 1 . LYS 27 27 4936 1 . TYR 28 28 4936 1 . ARG 29 29 4936 1 . TYR 30 30 4936 1 . GLU 31 31 4936 1 . GLU 32 32 4936 1 . ASP 33 33 4936 1 . ASN 34 34 4936 1 . SER 35 35 4936 1 . PRO 36 36 4936 1 . LEU 37 37 4936 1 . GLY 38 38 4936 1 . VAL 39 39 4936 1 . ILE 40 40 4936 1 . GLY 41 41 4936 1 . SER 42 42 4936 1 . PHE 43 43 4936 1 . THR 44 44 4936 1 . TYR 45 45 4936 1 . THR 46 46 4936 1 . GLU 47 47 4936 1 . LYS 48 48 4936 1 . SER 49 49 4936 1 . ARG 50 50 4936 1 . THR 51 51 4936 1 . ALA 52 52 4936 1 . SER 53 53 4936 1 . SER 54 54 4936 1 . GLY 55 55 4936 1 . ASP 56 56 4936 1 . TYR 57 57 4936 1 . ASN 58 58 4936 1 . LYS 59 59 4936 1 . ASN 60 60 4936 1 . GLN 61 61 4936 1 . TYR 62 62 4936 1 . TYR 63 63 4936 1 . GLY 64 64 4936 1 . ILE 65 65 4936 1 . THR 66 66 4936 1 . ALA 67 67 4936 1 . GLY 68 68 4936 1 . PRO 69 69 4936 1 . ALA 70 70 4936 1 . TYR 71 71 4936 1 . ARG 72 72 4936 1 . ILE 73 73 4936 1 . ASN 74 74 4936 1 . ASP 75 75 4936 1 . TRP 76 76 4936 1 . ALA 77 77 4936 1 . SER 78 78 4936 1 . ILE 79 79 4936 1 . TYR 80 80 4936 1 . GLY 81 81 4936 1 . VAL 82 82 4936 1 . VAL 83 83 4936 1 . GLY 84 84 4936 1 . VAL 85 85 4936 1 . GLY 86 86 4936 1 . TYR 87 87 4936 1 . GLY 88 88 4936 1 . LYS 89 89 4936 1 . PHE 90 90 4936 1 . GLN 91 91 4936 1 . THR 92 92 4936 1 . THR 93 93 4936 1 . GLU 94 94 4936 1 . TYR 95 95 4936 1 . PRO 96 96 4936 1 . THR 97 97 4936 1 . TYR 98 98 4936 1 . LYS 99 99 4936 1 . HIS 100 100 4936 1 . ASP 101 101 4936 1 . THR 102 102 4936 1 . THR 103 103 4936 1 . ASP 104 104 4936 1 . TYR 105 105 4936 1 . GLY 106 106 4936 1 . PHE 107 107 4936 1 . SER 108 108 4936 1 . TYR 109 109 4936 1 . GLY 110 110 4936 1 . ALA 111 111 4936 1 . GLY 112 112 4936 1 . LEU 113 113 4936 1 . GLN 114 114 4936 1 . PHE 115 115 4936 1 . ASN 116 116 4936 1 . PRO 117 117 4936 1 . MET 118 118 4936 1 . GLU 119 119 4936 1 . ASN 120 120 4936 1 . VAL 121 121 4936 1 . ALA 122 122 4936 1 . LEU 123 123 4936 1 . ASP 124 124 4936 1 . PHE 125 125 4936 1 . SER 126 126 4936 1 . TYR 127 127 4936 1 . GLU 128 128 4936 1 . GLN 129 129 4936 1 . SER 130 130 4936 1 . ARG 131 131 4936 1 . ILE 132 132 4936 1 . ARG 133 133 4936 1 . SER 134 134 4936 1 . VAL 135 135 4936 1 . ASP 136 136 4936 1 . VAL 137 137 4936 1 . GLY 138 138 4936 1 . THR 139 139 4936 1 . TRP 140 140 4936 1 . ILE 141 141 4936 1 . ALA 142 142 4936 1 . GLY 143 143 4936 1 . VAL 144 144 4936 1 . GLY 145 145 4936 1 . TYR 146 146 4936 1 . ARG 147 147 4936 1 . PHE 148 148 4936 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 4936 _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' 'Escherichia coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4936 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 4936 _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' 'E. coli' . . Escherichia coli BL21(DE3)pLyS . . . . . . . . . . . . plasmid . . pET3b-OmpX . . . 'Protein obtained in inclusion bodies' . . 4936 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 4936 _Sample.ID 1 _Sample.Type micelles _Sample.Sub_type . _Sample.Details 'the 2H labeling range is 85-100%' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Outer membrane protein X' '[U-98% 13C; U-98% 15N; U-2H]' . . 1 $OmpX . . 2.0 . . mM . . . . 4936 1 2 DHPC . . . . . . . 300 . . mM . . . . 4936 1 3 H2O . . . . . . . 97 . . % . . . . 4936 1 4 D2O . . . . . . . 3 . . % . . . . 4936 1 5 KPO4 . . . . . . . 20 . . mM . . . . 4936 1 6 NaCl . . . . . . . 100 . . mM . . . . 4936 1 stop_ save_ ####################### # Sample conditions # ####################### save_exp_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode exp_conditions _Sample_condition_list.Entry_ID 4936 _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 6.8 0.2 pH 4936 1 temperature 303 1 K 4936 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4936 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 4936 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4936 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4936 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 750 . . . 4936 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 4936 _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 HNCA . . . . . . . . . . . 1 $sample . . . 1 $exp_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4936 1 2 HN(CO)CA . . . . . . . . . . . 1 $sample . . . 1 $exp_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4936 1 3 HNCACB . . . . . . . . . . . 1 $sample . . . 1 $exp_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4936 1 4 '3D [1H,1H]-NOESY-[15N,1H]-TROSY' . . . . . . . . . . . 1 $sample . . . 1 $exp_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4936 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4936 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4936 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4936 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _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 $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4936 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D [1H,1H]-NOESY-[15N,1H]-TROSY' _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 $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4936 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4936 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4936 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4936 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 4936 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $exp_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample . 4936 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 CA C 13 51.7 0.3 . 1 . . . . . . . . 4936 1 2 . 1 1 1 1 ALA CB C 13 19.6 0.3 . 1 . . . . . . . . 4936 1 3 . 1 1 1 1 ALA C C 13 174.0 0.3 . 1 . . . . . . . . 4936 1 4 . 1 1 2 2 THR N N 15 112.9 0.3 . 1 . . . . . . . . 4936 1 5 . 1 1 2 2 THR H H 1 8.28 0.03 . 1 . . . . . . . . 4936 1 6 . 1 1 2 2 THR CA C 13 60.6 0.3 . 1 . . . . . . . . 4936 1 7 . 1 1 2 2 THR CB C 13 71.6 0.3 . 1 . . . . . . . . 4936 1 8 . 1 1 2 2 THR C C 13 173.4 0.3 . 1 . . . . . . . . 4936 1 9 . 1 1 3 3 SER N N 15 120.9 0.3 . 1 . . . . . . . . 4936 1 10 . 1 1 3 3 SER H H 1 8.86 0.03 . 1 . . . . . . . . 4936 1 11 . 1 1 3 3 SER CA C 13 56.5 0.3 . 1 . . . . . . . . 4936 1 12 . 1 1 3 3 SER CB C 13 65.0 0.3 . 1 . . . . . . . . 4936 1 13 . 1 1 3 3 SER C C 13 175.5 0.3 . 1 . . . . . . . . 4936 1 14 . 1 1 4 4 THR N N 15 116.8 0.3 . 1 . . . . . . . . 4936 1 15 . 1 1 4 4 THR H H 1 8.55 0.03 . 1 . . . . . . . . 4936 1 16 . 1 1 4 4 THR CA C 13 60.9 0.3 . 1 . . . . . . . . 4936 1 17 . 1 1 4 4 THR CB C 13 70.2 0.3 . 1 . . . . . . . . 4936 1 18 . 1 1 4 4 THR C C 13 174.5 0.3 . 1 . . . . . . . . 4936 1 19 . 1 1 5 5 VAL N N 15 128.8 0.3 . 1 . . . . . . . . 4936 1 20 . 1 1 5 5 VAL H H 1 8.59 0.03 . 1 . . . . . . . . 4936 1 21 . 1 1 5 5 VAL CA C 13 59.3 0.3 . 1 . . . . . . . . 4936 1 22 . 1 1 5 5 VAL CB C 13 33.5 0.3 . 1 . . . . . . . . 4936 1 23 . 1 1 5 5 VAL C C 13 174.5 0.3 . 1 . . . . . . . . 4936 1 24 . 1 1 6 6 THR N N 15 115.3 0.3 . 1 . . . . . . . . 4936 1 25 . 1 1 6 6 THR H H 1 8.70 0.03 . 1 . . . . . . . . 4936 1 26 . 1 1 6 6 THR CA C 13 58.3 0.3 . 1 . . . . . . . . 4936 1 27 . 1 1 6 6 THR CB C 13 70.5 0.3 . 1 . . . . . . . . 4936 1 28 . 1 1 6 6 THR C C 13 172.8 0.3 . 1 . . . . . . . . 4936 1 29 . 1 1 7 7 GLY N N 15 105.8 0.3 . 1 . . . . . . . . 4936 1 30 . 1 1 7 7 GLY H H 1 8.61 0.03 . 1 . . . . . . . . 4936 1 31 . 1 1 7 7 GLY CA C 13 44.1 0.3 . 1 . . . . . . . . 4936 1 32 . 1 1 7 7 GLY C C 13 172.3 0.3 . 1 . . . . . . . . 4936 1 33 . 1 1 8 8 GLY N N 15 106.4 0.3 . 1 . . . . . . . . 4936 1 34 . 1 1 8 8 GLY H H 1 9.00 0.03 . 1 . . . . . . . . 4936 1 35 . 1 1 8 8 GLY CA C 13 45.5 0.3 . 1 . . . . . . . . 4936 1 36 . 1 1 8 8 GLY C C 13 172.9 0.3 . 1 . . . . . . . . 4936 1 37 . 1 1 9 9 TYR N N 15 121.0 0.3 . 1 . . . . . . . . 4936 1 38 . 1 1 9 9 TYR H H 1 8.19 0.03 . 1 . . . . . . . . 4936 1 39 . 1 1 9 9 TYR CA C 13 56.8 0.3 . 1 . . . . . . . . 4936 1 40 . 1 1 9 9 TYR CB C 13 40.5 0.3 . 1 . . . . . . . . 4936 1 41 . 1 1 9 9 TYR C C 13 172.5 0.3 . 1 . . . . . . . . 4936 1 42 . 1 1 10 10 ALA N N 15 126.6 0.3 . 1 . . . . . . . . 4936 1 43 . 1 1 10 10 ALA H H 1 6.97 0.03 . 1 . . . . . . . . 4936 1 44 . 1 1 10 10 ALA CA C 13 48.2 0.3 . 1 . . . . . . . . 4936 1 45 . 1 1 10 10 ALA CB C 13 22.2 0.3 . 1 . . . . . . . . 4936 1 46 . 1 1 10 10 ALA C C 13 174.2 0.3 . 1 . . . . . . . . 4936 1 47 . 1 1 11 11 GLN N N 15 119.3 0.3 . 1 . . . . . . . . 4936 1 48 . 1 1 11 11 GLN H H 1 8.29 0.03 . 1 . . . . . . . . 4936 1 49 . 1 1 11 11 GLN CA C 13 53.7 0.3 . 1 . . . . . . . . 4936 1 50 . 1 1 11 11 GLN CB C 13 32.5 0.3 . 1 . . . . . . . . 4936 1 51 . 1 1 11 11 GLN C C 13 175.3 0.3 . 1 . . . . . . . . 4936 1 52 . 1 1 12 12 SER N N 15 124.1 0.3 . 1 . . . . . . . . 4936 1 53 . 1 1 12 12 SER H H 1 9.22 0.03 . 1 . . . . . . . . 4936 1 54 . 1 1 12 12 SER CA C 13 56.9 0.3 . 1 . . . . . . . . 4936 1 55 . 1 1 12 12 SER CB C 13 63.6 0.3 . 1 . . . . . . . . 4936 1 56 . 1 1 12 12 SER C C 13 172.5 0.3 . 1 . . . . . . . . 4936 1 57 . 1 1 13 13 ASP N N 15 123.9 0.3 . 1 . . . . . . . . 4936 1 58 . 1 1 13 13 ASP H H 1 9.08 0.03 . 1 . . . . . . . . 4936 1 59 . 1 1 13 13 ASP CA C 13 52.5 0.3 . 1 . . . . . . . . 4936 1 60 . 1 1 13 13 ASP CB C 13 41.9 0.3 . 1 . . . . . . . . 4936 1 61 . 1 1 13 13 ASP C C 13 174.6 0.3 . 1 . . . . . . . . 4936 1 62 . 1 1 14 14 ALA N N 15 127.7 0.3 . 1 . . . . . . . . 4936 1 63 . 1 1 14 14 ALA H H 1 8.55 0.03 . 1 . . . . . . . . 4936 1 64 . 1 1 14 14 ALA CA C 13 49.8 0.3 . 1 . . . . . . . . 4936 1 65 . 1 1 14 14 ALA CB C 13 19.4 0.3 . 1 . . . . . . . . 4936 1 66 . 1 1 14 14 ALA C C 13 176.0 0.3 . 1 . . . . . . . . 4936 1 67 . 1 1 15 15 GLN N N 15 122.4 0.3 . 1 . . . . . . . . 4936 1 68 . 1 1 15 15 GLN H H 1 8.31 0.03 . 1 . . . . . . . . 4936 1 69 . 1 1 15 15 GLN CA C 13 56.8 0.3 . 1 . . . . . . . . 4936 1 70 . 1 1 15 15 GLN CB C 13 27.9 0.3 . 1 . . . . . . . . 4936 1 71 . 1 1 15 15 GLN C C 13 176.5 0.3 . 1 . . . . . . . . 4936 1 72 . 1 1 16 16 GLY N N 15 112.2 0.3 . 1 . . . . . . . . 4936 1 73 . 1 1 16 16 GLY H H 1 8.59 0.03 . 1 . . . . . . . . 4936 1 74 . 1 1 16 16 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 4936 1 75 . 1 1 16 16 GLY C C 13 174.4 0.3 . 1 . . . . . . . . 4936 1 76 . 1 1 17 17 GLN N N 15 119.3 0.3 . 1 . . . . . . . . 4936 1 77 . 1 1 17 17 GLN H H 1 8.08 0.03 . 1 . . . . . . . . 4936 1 78 . 1 1 17 17 GLN CA C 13 54.6 0.3 . 1 . . . . . . . . 4936 1 79 . 1 1 17 17 GLN CB C 13 28.4 0.3 . 1 . . . . . . . . 4936 1 80 . 1 1 17 17 GLN C C 13 176.1 0.3 . 1 . . . . . . . . 4936 1 81 . 1 1 18 18 MET N N 15 119.8 0.3 . 1 . . . . . . . . 4936 1 82 . 1 1 18 18 MET H H 1 8.37 0.03 . 1 . . . . . . . . 4936 1 83 . 1 1 18 18 MET CA C 13 55.7 0.3 . 1 . . . . . . . . 4936 1 84 . 1 1 18 18 MET CB C 13 31.8 0.3 . 1 . . . . . . . . 4936 1 85 . 1 1 18 18 MET C C 13 175.4 0.3 . 1 . . . . . . . . 4936 1 86 . 1 1 19 19 ASN N N 15 117.9 0.3 . 1 . . . . . . . . 4936 1 87 . 1 1 19 19 ASN H H 1 7.99 0.03 . 1 . . . . . . . . 4936 1 88 . 1 1 19 19 ASN CA C 13 52.3 0.3 . 1 . . . . . . . . 4936 1 89 . 1 1 19 19 ASN CB C 13 39.4 0.3 . 1 . . . . . . . . 4936 1 90 . 1 1 19 19 ASN C C 13 174.4 0.3 . 1 . . . . . . . . 4936 1 91 . 1 1 20 20 LYS N N 15 120.8 0.3 . 1 . . . . . . . . 4936 1 92 . 1 1 20 20 LYS H H 1 8.34 0.03 . 1 . . . . . . . . 4936 1 93 . 1 1 20 20 LYS CA C 13 55.7 0.3 . 1 . . . . . . . . 4936 1 94 . 1 1 20 20 LYS CB C 13 31.9 0.3 . 1 . . . . . . . . 4936 1 95 . 1 1 20 20 LYS C C 13 176.3 0.3 . 1 . . . . . . . . 4936 1 96 . 1 1 21 21 MET N N 15 120.0 0.3 . 1 . . . . . . . . 4936 1 97 . 1 1 21 21 MET H H 1 8.48 0.03 . 1 . . . . . . . . 4936 1 98 . 1 1 21 21 MET CA C 13 54.5 0.3 . 1 . . . . . . . . 4936 1 99 . 1 1 21 21 MET CB C 13 34.6 0.3 . 1 . . . . . . . . 4936 1 100 . 1 1 21 21 MET C C 13 175.0 0.3 . 1 . . . . . . . . 4936 1 101 . 1 1 22 22 GLY N N 15 110.9 0.3 . 1 . . . . . . . . 4936 1 102 . 1 1 22 22 GLY H H 1 8.37 0.03 . 1 . . . . . . . . 4936 1 103 . 1 1 22 22 GLY CA C 13 43.6 0.3 . 1 . . . . . . . . 4936 1 104 . 1 1 22 22 GLY C C 13 175.0 0.3 . 1 . . . . . . . . 4936 1 105 . 1 1 23 23 GLY N N 15 110.6 0.3 . 1 . . . . . . . . 4936 1 106 . 1 1 23 23 GLY H H 1 8.20 0.03 . 1 . . . . . . . . 4936 1 107 . 1 1 23 23 GLY CA C 13 45.9 0.3 . 1 . . . . . . . . 4936 1 108 . 1 1 23 23 GLY C C 13 172.4 0.3 . 1 . . . . . . . . 4936 1 109 . 1 1 24 24 PHE N N 15 121.9 0.3 . 1 . . . . . . . . 4936 1 110 . 1 1 24 24 PHE H H 1 9.31 0.03 . 1 . . . . . . . . 4936 1 111 . 1 1 24 24 PHE CA C 13 54.6 0.3 . 1 . . . . . . . . 4936 1 112 . 1 1 24 24 PHE CB C 13 43.0 0.3 . 1 . . . . . . . . 4936 1 113 . 1 1 24 24 PHE C C 13 169.6 0.3 . 1 . . . . . . . . 4936 1 114 . 1 1 25 25 ASN N N 15 117.9 0.3 . 1 . . . . . . . . 4936 1 115 . 1 1 25 25 ASN H H 1 8.39 0.03 . 1 . . . . . . . . 4936 1 116 . 1 1 25 25 ASN CA C 13 50.6 0.3 . 1 . . . . . . . . 4936 1 117 . 1 1 25 25 ASN CB C 13 42.1 0.3 . 1 . . . . . . . . 4936 1 118 . 1 1 25 25 ASN C C 13 172.1 0.3 . 1 . . . . . . . . 4936 1 119 . 1 1 26 26 LEU N N 15 125.5 0.3 . 1 . . . . . . . . 4936 1 120 . 1 1 26 26 LEU H H 1 9.26 0.03 . 1 . . . . . . . . 4936 1 121 . 1 1 26 26 LEU CA C 13 53.1 0.3 . 1 . . . . . . . . 4936 1 122 . 1 1 26 26 LEU CB C 13 46.2 0.3 . 1 . . . . . . . . 4936 1 123 . 1 1 26 26 LEU C C 13 175.4 0.3 . 1 . . . . . . . . 4936 1 124 . 1 1 27 27 LYS N N 15 117.6 0.3 . 1 . . . . . . . . 4936 1 125 . 1 1 27 27 LYS H H 1 8.77 0.03 . 1 . . . . . . . . 4936 1 126 . 1 1 27 27 LYS CA C 13 55.0 0.3 . 1 . . . . . . . . 4936 1 127 . 1 1 27 27 LYS CB C 13 36.3 0.3 . 1 . . . . . . . . 4936 1 128 . 1 1 27 27 LYS C C 13 174.7 0.3 . 1 . . . . . . . . 4936 1 129 . 1 1 28 28 TYR N N 15 120.7 0.3 . 1 . . . . . . . . 4936 1 130 . 1 1 28 28 TYR H H 1 8.33 0.03 . 1 . . . . . . . . 4936 1 131 . 1 1 28 28 TYR CA C 13 55.7 0.3 . 1 . . . . . . . . 4936 1 132 . 1 1 28 28 TYR CB C 13 41.6 0.3 . 1 . . . . . . . . 4936 1 133 . 1 1 28 28 TYR C C 13 172.3 0.3 . 1 . . . . . . . . 4936 1 134 . 1 1 29 29 ARG N N 15 129.6 0.3 . 1 . . . . . . . . 4936 1 135 . 1 1 29 29 ARG H H 1 8.70 0.03 . 1 . . . . . . . . 4936 1 136 . 1 1 29 29 ARG CA C 13 52.7 0.3 . 1 . . . . . . . . 4936 1 137 . 1 1 29 29 ARG CB C 13 33.9 0.3 . 1 . . . . . . . . 4936 1 138 . 1 1 29 29 ARG C C 13 172.5 0.3 . 1 . . . . . . . . 4936 1 139 . 1 1 30 30 TYR N N 15 126.3 0.3 . 1 . . . . . . . . 4936 1 140 . 1 1 30 30 TYR H H 1 8.82 0.03 . 1 . . . . . . . . 4936 1 141 . 1 1 30 30 TYR CA C 13 56.5 0.3 . 1 . . . . . . . . 4936 1 142 . 1 1 30 30 TYR CB C 13 42.0 0.3 . 1 . . . . . . . . 4936 1 143 . 1 1 30 30 TYR C C 13 174.8 0.3 . 1 . . . . . . . . 4936 1 144 . 1 1 31 31 GLU N N 15 128.0 0.3 . 1 . . . . . . . . 4936 1 145 . 1 1 31 31 GLU H H 1 8.19 0.03 . 1 . . . . . . . . 4936 1 146 . 1 1 31 31 GLU CA C 13 54.5 0.3 . 1 . . . . . . . . 4936 1 147 . 1 1 31 31 GLU CB C 13 31.9 0.3 . 1 . . . . . . . . 4936 1 148 . 1 1 31 31 GLU C C 13 174.2 0.3 . 1 . . . . . . . . 4936 1 149 . 1 1 32 32 GLU N N 15 121.2 0.3 . 1 . . . . . . . . 4936 1 150 . 1 1 32 32 GLU H H 1 8.99 0.03 . 1 . . . . . . . . 4936 1 151 . 1 1 32 32 GLU CA C 13 54.1 0.3 . 1 . . . . . . . . 4936 1 152 . 1 1 32 32 GLU CB C 13 29.9 0.3 . 1 . . . . . . . . 4936 1 153 . 1 1 32 32 GLU C C 13 176.6 0.3 . 1 . . . . . . . . 4936 1 154 . 1 1 33 33 ASP N N 15 120.9 0.3 . 1 . . . . . . . . 4936 1 155 . 1 1 33 33 ASP H H 1 8.51 0.03 . 1 . . . . . . . . 4936 1 156 . 1 1 33 33 ASP CA C 13 55.4 0.3 . 1 . . . . . . . . 4936 1 157 . 1 1 33 33 ASP CB C 13 39.8 0.3 . 1 . . . . . . . . 4936 1 158 . 1 1 33 33 ASP C C 13 176.7 0.3 . 1 . . . . . . . . 4936 1 159 . 1 1 34 34 ASN N N 15 114.6 0.3 . 1 . . . . . . . . 4936 1 160 . 1 1 34 34 ASN H H 1 8.37 0.03 . 1 . . . . . . . . 4936 1 161 . 1 1 34 34 ASN CA C 13 53.1 0.3 . 1 . . . . . . . . 4936 1 162 . 1 1 34 34 ASN CB C 13 37.4 0.3 . 1 . . . . . . . . 4936 1 163 . 1 1 34 34 ASN C C 13 174.1 0.3 . 1 . . . . . . . . 4936 1 164 . 1 1 35 35 SER N N 15 112.4 0.3 . 1 . . . . . . . . 4936 1 165 . 1 1 35 35 SER H H 1 7.14 0.03 . 1 . . . . . . . . 4936 1 166 . 1 1 35 35 SER CA C 13 54.0 0.3 . 1 . . . . . . . . 4936 1 167 . 1 1 35 35 SER CB C 13 64.4 0.3 . 1 . . . . . . . . 4936 1 168 . 1 1 36 36 PRO CA C 13 62.9 0.3 . 1 . . . . . . . . 4936 1 169 . 1 1 36 36 PRO CB C 13 31.2 0.3 . 1 . . . . . . . . 4936 1 170 . 1 1 36 36 PRO C C 13 175.4 0.3 . 1 . . . . . . . . 4936 1 171 . 1 1 37 37 LEU N N 15 122.8 0.3 . 1 . . . . . . . . 4936 1 172 . 1 1 37 37 LEU H H 1 7.84 0.03 . 1 . . . . . . . . 4936 1 173 . 1 1 37 37 LEU CA C 13 53.5 0.3 . 1 . . . . . . . . 4936 1 174 . 1 1 37 37 LEU CB C 13 43.1 0.3 . 1 . . . . . . . . 4936 1 175 . 1 1 37 37 LEU C C 13 176.2 0.3 . 1 . . . . . . . . 4936 1 176 . 1 1 38 38 GLY N N 15 116.5 0.3 . 1 . . . . . . . . 4936 1 177 . 1 1 38 38 GLY H H 1 8.97 0.03 . 1 . . . . . . . . 4936 1 178 . 1 1 38 38 GLY CA C 13 44.3 0.3 . 1 . . . . . . . . 4936 1 179 . 1 1 38 38 GLY C C 13 172.7 0.3 . 1 . . . . . . . . 4936 1 180 . 1 1 39 39 VAL N N 15 116.2 0.3 . 1 . . . . . . . . 4936 1 181 . 1 1 39 39 VAL H H 1 7.88 0.03 . 1 . . . . . . . . 4936 1 182 . 1 1 39 39 VAL CA C 13 58.7 0.3 . 1 . . . . . . . . 4936 1 183 . 1 1 39 39 VAL CB C 13 35.4 0.3 . 1 . . . . . . . . 4936 1 184 . 1 1 39 39 VAL C C 13 171.7 0.3 . 1 . . . . . . . . 4936 1 185 . 1 1 40 40 ILE N N 15 124.5 0.3 . 1 . . . . . . . . 4936 1 186 . 1 1 40 40 ILE H H 1 9.05 0.03 . 1 . . . . . . . . 4936 1 187 . 1 1 40 40 ILE CA C 13 58.2 0.3 . 1 . . . . . . . . 4936 1 188 . 1 1 40 40 ILE CB C 13 43.7 0.3 . 1 . . . . . . . . 4936 1 189 . 1 1 40 40 ILE C C 13 171.6 0.3 . 1 . . . . . . . . 4936 1 190 . 1 1 41 41 GLY N N 15 111.4 0.3 . 1 . . . . . . . . 4936 1 191 . 1 1 41 41 GLY H H 1 8.85 0.03 . 1 . . . . . . . . 4936 1 192 . 1 1 41 41 GLY CA C 13 42.8 0.3 . 1 . . . . . . . . 4936 1 193 . 1 1 41 41 GLY C C 13 171.9 0.3 . 1 . . . . . . . . 4936 1 194 . 1 1 42 42 SER N N 15 116.5 0.3 . 1 . . . . . . . . 4936 1 195 . 1 1 42 42 SER H H 1 9.08 0.03 . 1 . . . . . . . . 4936 1 196 . 1 1 42 42 SER CA C 13 55.9 0.3 . 1 . . . . . . . . 4936 1 197 . 1 1 42 42 SER CB C 13 62.3 0.3 . 1 . . . . . . . . 4936 1 198 . 1 1 42 42 SER C C 13 171.9 0.3 . 1 . . . . . . . . 4936 1 199 . 1 1 43 43 PHE N N 15 128.9 0.3 . 1 . . . . . . . . 4936 1 200 . 1 1 43 43 PHE H H 1 9.17 0.03 . 1 . . . . . . . . 4936 1 201 . 1 1 43 43 PHE CA C 13 55.8 0.3 . 1 . . . . . . . . 4936 1 202 . 1 1 43 43 PHE CB C 13 42.7 0.3 . 1 . . . . . . . . 4936 1 203 . 1 1 43 43 PHE C C 13 172.6 0.3 . 1 . . . . . . . . 4936 1 204 . 1 1 44 44 THR N N 15 126.3 0.3 . 1 . . . . . . . . 4936 1 205 . 1 1 44 44 THR H H 1 8.71 0.03 . 1 . . . . . . . . 4936 1 206 . 1 1 44 44 THR CA C 13 60.0 0.3 . 1 . . . . . . . . 4936 1 207 . 1 1 44 44 THR CB C 13 69.7 0.3 . 1 . . . . . . . . 4936 1 208 . 1 1 44 44 THR C C 13 171.1 0.3 . 1 . . . . . . . . 4936 1 209 . 1 1 45 45 TYR N N 15 125.4 0.3 . 1 . . . . . . . . 4936 1 210 . 1 1 45 45 TYR H H 1 8.08 0.03 . 1 . . . . . . . . 4936 1 211 . 1 1 45 45 TYR CA C 13 55.4 0.3 . 1 . . . . . . . . 4936 1 212 . 1 1 45 45 TYR CB C 13 40.7 0.3 . 1 . . . . . . . . 4936 1 213 . 1 1 45 45 TYR C C 13 173.8 0.3 . 1 . . . . . . . . 4936 1 214 . 1 1 46 46 THR N N 15 117.2 0.3 . 1 . . . . . . . . 4936 1 215 . 1 1 46 46 THR H H 1 8.50 0.03 . 1 . . . . . . . . 4936 1 216 . 1 1 46 46 THR CA C 13 58.5 0.3 . 1 . . . . . . . . 4936 1 217 . 1 1 46 46 THR CB C 13 71.1 0.3 . 1 . . . . . . . . 4936 1 218 . 1 1 46 46 THR C C 13 171.6 0.3 . 1 . . . . . . . . 4936 1 219 . 1 1 47 47 GLU N N 15 111.6 0.3 . 1 . . . . . . . . 4936 1 220 . 1 1 47 47 GLU H H 1 8.13 0.03 . 1 . . . . . . . . 4936 1 221 . 1 1 47 47 GLU CA C 13 54.1 0.3 . 1 . . . . . . . . 4936 1 222 . 1 1 47 47 GLU CB C 13 32.1 0.3 . 1 . . . . . . . . 4936 1 223 . 1 1 48 48 LYS CA C 13 55.9 0.3 . 1 . . . . . . . . 4936 1 224 . 1 1 48 48 LYS C C 13 175.2 0.3 . 1 . . . . . . . . 4936 1 225 . 1 1 49 49 SER N N 15 123.3 0.3 . 1 . . . . . . . . 4936 1 226 . 1 1 49 49 SER H H 1 8.88 0.03 . 1 . . . . . . . . 4936 1 227 . 1 1 49 49 SER CA C 13 58.0 0.3 . 1 . . . . . . . . 4936 1 228 . 1 1 49 49 SER CB C 13 63.7 0.3 . 1 . . . . . . . . 4936 1 229 . 1 1 49 49 SER C C 13 174.1 0.3 . 1 . . . . . . . . 4936 1 230 . 1 1 50 50 ARG N N 15 123.7 0.3 . 1 . . . . . . . . 4936 1 231 . 1 1 50 50 ARG H H 1 8.53 0.03 . 1 . . . . . . . . 4936 1 232 . 1 1 50 50 ARG CA C 13 55.9 0.3 . 1 . . . . . . . . 4936 1 233 . 1 1 50 50 ARG CB C 13 30.6 0.3 . 1 . . . . . . . . 4936 1 234 . 1 1 50 50 ARG C C 13 176.1 0.3 . 1 . . . . . . . . 4936 1 235 . 1 1 51 51 THR N N 15 115.1 0.3 . 1 . . . . . . . . 4936 1 236 . 1 1 51 51 THR H H 1 8.20 0.03 . 1 . . . . . . . . 4936 1 237 . 1 1 51 51 THR CA C 13 61.1 0.3 . 1 . . . . . . . . 4936 1 238 . 1 1 51 51 THR CB C 13 69.2 0.3 . 1 . . . . . . . . 4936 1 239 . 1 1 51 51 THR C C 13 174.4 0.3 . 1 . . . . . . . . 4936 1 240 . 1 1 52 52 ALA N N 15 126.3 0.3 . 1 . . . . . . . . 4936 1 241 . 1 1 52 52 ALA H H 1 8.40 0.03 . 1 . . . . . . . . 4936 1 242 . 1 1 52 52 ALA CA C 13 52.0 0.3 . 1 . . . . . . . . 4936 1 243 . 1 1 52 52 ALA CB C 13 18.8 0.3 . 1 . . . . . . . . 4936 1 244 . 1 1 52 52 ALA C C 13 178.1 0.3 . 1 . . . . . . . . 4936 1 245 . 1 1 53 53 SER N N 15 115.0 0.3 . 1 . . . . . . . . 4936 1 246 . 1 1 53 53 SER H H 1 8.26 0.03 . 1 . . . . . . . . 4936 1 247 . 1 1 53 53 SER CA C 13 58.5 0.3 . 1 . . . . . . . . 4936 1 248 . 1 1 53 53 SER CB C 13 62.5 0.3 . 1 . . . . . . . . 4936 1 249 . 1 1 53 53 SER C C 13 174.8 0.3 . 1 . . . . . . . . 4936 1 250 . 1 1 54 54 SER N N 15 116.7 0.3 . 1 . . . . . . . . 4936 1 251 . 1 1 54 54 SER H H 1 8.02 0.03 . 1 . . . . . . . . 4936 1 252 . 1 1 54 54 SER CA C 13 58.3 0.3 . 1 . . . . . . . . 4936 1 253 . 1 1 54 54 SER CB C 13 62.7 0.3 . 1 . . . . . . . . 4936 1 254 . 1 1 54 54 SER C C 13 175.0 0.3 . 1 . . . . . . . . 4936 1 255 . 1 1 55 55 GLY N N 15 110.7 0.3 . 1 . . . . . . . . 4936 1 256 . 1 1 55 55 GLY H H 1 8.18 0.03 . 1 . . . . . . . . 4936 1 257 . 1 1 55 55 GLY CA C 13 44.7 0.3 . 1 . . . . . . . . 4936 1 258 . 1 1 55 55 GLY C C 13 173.7 0.3 . 1 . . . . . . . . 4936 1 259 . 1 1 56 56 ASP N N 15 120.5 0.3 . 1 . . . . . . . . 4936 1 260 . 1 1 56 56 ASP H H 1 7.84 0.03 . 1 . . . . . . . . 4936 1 261 . 1 1 56 56 ASP CA C 13 53.7 0.3 . 1 . . . . . . . . 4936 1 262 . 1 1 56 56 ASP CB C 13 40.5 0.3 . 1 . . . . . . . . 4936 1 263 . 1 1 56 56 ASP C C 13 175.5 0.3 . 1 . . . . . . . . 4936 1 264 . 1 1 57 57 TYR N N 15 120.8 0.3 . 1 . . . . . . . . 4936 1 265 . 1 1 57 57 TYR H H 1 8.07 0.03 . 1 . . . . . . . . 4936 1 266 . 1 1 57 57 TYR CA C 13 57.1 0.3 . 1 . . . . . . . . 4936 1 267 . 1 1 57 57 TYR CB C 13 37.9 0.3 . 1 . . . . . . . . 4936 1 268 . 1 1 57 57 TYR C C 13 175.5 0.3 . 1 . . . . . . . . 4936 1 269 . 1 1 58 58 ASN N N 15 121.2 0.3 . 1 . . . . . . . . 4936 1 270 . 1 1 58 58 ASN H H 1 8.19 0.03 . 1 . . . . . . . . 4936 1 271 . 1 1 58 58 ASN CA C 13 52.5 0.3 . 1 . . . . . . . . 4936 1 272 . 1 1 58 58 ASN CB C 13 39.1 0.3 . 1 . . . . . . . . 4936 1 273 . 1 1 58 58 ASN C C 13 173.9 0.3 . 1 . . . . . . . . 4936 1 274 . 1 1 59 59 LYS N N 15 120.7 0.3 . 1 . . . . . . . . 4936 1 275 . 1 1 59 59 LYS H H 1 8.11 0.03 . 1 . . . . . . . . 4936 1 276 . 1 1 59 59 LYS CA C 13 55.2 0.3 . 1 . . . . . . . . 4936 1 277 . 1 1 59 59 LYS CB C 13 33.8 0.3 . 1 . . . . . . . . 4936 1 278 . 1 1 59 59 LYS C C 13 171.6 0.3 . 1 . . . . . . . . 4936 1 279 . 1 1 60 60 ASN N N 15 122.1 0.3 . 1 . . . . . . . . 4936 1 280 . 1 1 60 60 ASN H H 1 8.27 0.03 . 1 . . . . . . . . 4936 1 281 . 1 1 60 60 ASN CA C 13 51.8 0.3 . 1 . . . . . . . . 4936 1 282 . 1 1 60 60 ASN CB C 13 39.8 0.3 . 1 . . . . . . . . 4936 1 283 . 1 1 60 60 ASN C C 13 175.2 0.3 . 1 . . . . . . . . 4936 1 284 . 1 1 61 61 GLN N N 15 119.8 0.3 . 1 . . . . . . . . 4936 1 285 . 1 1 61 61 GLN H H 1 8.47 0.03 . 1 . . . . . . . . 4936 1 286 . 1 1 61 61 GLN CA C 13 54.4 0.3 . 1 . . . . . . . . 4936 1 287 . 1 1 61 61 GLN CB C 13 34.9 0.3 . 1 . . . . . . . . 4936 1 288 . 1 1 61 61 GLN C C 13 173.4 0.3 . 1 . . . . . . . . 4936 1 289 . 1 1 62 62 TYR N N 15 122.9 0.3 . 1 . . . . . . . . 4936 1 290 . 1 1 62 62 TYR H H 1 8.55 0.03 . 1 . . . . . . . . 4936 1 291 . 1 1 62 62 TYR CA C 13 56.4 0.3 . 1 . . . . . . . . 4936 1 292 . 1 1 62 62 TYR CB C 13 39.8 0.3 . 1 . . . . . . . . 4936 1 293 . 1 1 62 62 TYR C C 13 171.5 0.3 . 1 . . . . . . . . 4936 1 294 . 1 1 63 63 TYR N N 15 123.1 0.3 . 1 . . . . . . . . 4936 1 295 . 1 1 63 63 TYR H H 1 8.27 0.03 . 1 . . . . . . . . 4936 1 296 . 1 1 63 63 TYR CA C 13 54.3 0.3 . 1 . . . . . . . . 4936 1 297 . 1 1 63 63 TYR CB C 13 41.4 0.3 . 1 . . . . . . . . 4936 1 298 . 1 1 63 63 TYR C C 13 174.0 0.3 . 1 . . . . . . . . 4936 1 299 . 1 1 64 64 GLY N N 15 106.2 0.3 . 1 . . . . . . . . 4936 1 300 . 1 1 64 64 GLY H H 1 8.58 0.03 . 1 . . . . . . . . 4936 1 301 . 1 1 64 64 GLY CA C 13 44.2 0.3 . 1 . . . . . . . . 4936 1 302 . 1 1 64 64 GLY C C 13 174.2 0.3 . 1 . . . . . . . . 4936 1 303 . 1 1 65 65 ILE N N 15 127.9 0.3 . 1 . . . . . . . . 4936 1 304 . 1 1 65 65 ILE H H 1 8.94 0.03 . 1 . . . . . . . . 4936 1 305 . 1 1 65 65 ILE CA C 13 59.7 0.3 . 1 . . . . . . . . 4936 1 306 . 1 1 65 65 ILE CB C 13 39.3 0.3 . 1 . . . . . . . . 4936 1 307 . 1 1 65 65 ILE C C 13 174.4 0.3 . 1 . . . . . . . . 4936 1 308 . 1 1 66 66 THR N N 15 115.3 0.3 . 1 . . . . . . . . 4936 1 309 . 1 1 66 66 THR H H 1 8.75 0.03 . 1 . . . . . . . . 4936 1 310 . 1 1 66 66 THR CA C 13 58.4 0.3 . 1 . . . . . . . . 4936 1 311 . 1 1 66 66 THR CB C 13 72.9 0.3 . 1 . . . . . . . . 4936 1 312 . 1 1 66 66 THR C C 13 172.5 0.3 . 1 . . . . . . . . 4936 1 313 . 1 1 67 67 ALA N N 15 119.1 0.3 . 1 . . . . . . . . 4936 1 314 . 1 1 67 67 ALA H H 1 9.24 0.03 . 1 . . . . . . . . 4936 1 315 . 1 1 67 67 ALA CA C 13 51.4 0.3 . 1 . . . . . . . . 4936 1 316 . 1 1 67 67 ALA CB C 13 22.1 0.3 . 1 . . . . . . . . 4936 1 317 . 1 1 67 67 ALA C C 13 176.5 0.3 . 1 . . . . . . . . 4936 1 318 . 1 1 68 68 GLY N N 15 104.3 0.3 . 1 . . . . . . . . 4936 1 319 . 1 1 68 68 GLY H H 1 8.83 0.03 . 1 . . . . . . . . 4936 1 320 . 1 1 68 68 GLY CA C 13 45.6 0.3 . 1 . . . . . . . . 4936 1 321 . 1 1 69 69 PRO CA C 13 61.0 0.3 . 1 . . . . . . . . 4936 1 322 . 1 1 69 69 PRO CB C 13 32.6 0.3 . 1 . . . . . . . . 4936 1 323 . 1 1 69 69 PRO C C 13 173.6 0.3 . 1 . . . . . . . . 4936 1 324 . 1 1 70 70 ALA N N 15 120.0 0.3 . 1 . . . . . . . . 4936 1 325 . 1 1 70 70 ALA H H 1 7.76 0.03 . 1 . . . . . . . . 4936 1 326 . 1 1 70 70 ALA CA C 13 49.3 0.3 . 1 . . . . . . . . 4936 1 327 . 1 1 70 70 ALA CB C 13 20.8 0.3 . 1 . . . . . . . . 4936 1 328 . 1 1 70 70 ALA C C 13 175.2 0.3 . 1 . . . . . . . . 4936 1 329 . 1 1 71 71 TYR N N 15 125.4 0.3 . 1 . . . . . . . . 4936 1 330 . 1 1 71 71 TYR H H 1 9.64 0.03 . 1 . . . . . . . . 4936 1 331 . 1 1 71 71 TYR CA C 13 55.7 0.3 . 1 . . . . . . . . 4936 1 332 . 1 1 71 71 TYR CB C 13 41.5 0.3 . 1 . . . . . . . . 4936 1 333 . 1 1 71 71 TYR C C 13 173.9 0.3 . 1 . . . . . . . . 4936 1 334 . 1 1 72 72 ARG N N 15 131.0 0.3 . 1 . . . . . . . . 4936 1 335 . 1 1 72 72 ARG H H 1 8.78 0.03 . 1 . . . . . . . . 4936 1 336 . 1 1 72 72 ARG CA C 13 55.7 0.3 . 1 . . . . . . . . 4936 1 337 . 1 1 72 72 ARG CB C 13 29.3 0.3 . 1 . . . . . . . . 4936 1 338 . 1 1 72 72 ARG C C 13 173.9 0.3 . 1 . . . . . . . . 4936 1 339 . 1 1 73 73 ILE N N 15 129.2 0.3 . 1 . . . . . . . . 4936 1 340 . 1 1 73 73 ILE H H 1 8.38 0.03 . 1 . . . . . . . . 4936 1 341 . 1 1 73 73 ILE CA C 13 62.5 0.3 . 1 . . . . . . . . 4936 1 342 . 1 1 73 73 ILE C C 13 176.2 0.3 . 1 . . . . . . . . 4936 1 343 . 1 1 74 74 ASN N N 15 114.6 0.3 . 1 . . . . . . . . 4936 1 344 . 1 1 74 74 ASN H H 1 7.87 0.03 . 1 . . . . . . . . 4936 1 345 . 1 1 74 74 ASN CA C 13 51.6 0.3 . 1 . . . . . . . . 4936 1 346 . 1 1 74 74 ASN CB C 13 36.7 0.3 . 1 . . . . . . . . 4936 1 347 . 1 1 74 74 ASN C C 13 174.6 0.3 . 1 . . . . . . . . 4936 1 348 . 1 1 75 75 ASP N N 15 113.7 0.3 . 1 . . . . . . . . 4936 1 349 . 1 1 75 75 ASP H H 1 8.27 0.03 . 1 . . . . . . . . 4936 1 350 . 1 1 75 75 ASP CA C 13 56.4 0.3 . 1 . . . . . . . . 4936 1 351 . 1 1 75 75 ASP CB C 13 39.5 0.3 . 1 . . . . . . . . 4936 1 352 . 1 1 75 75 ASP C C 13 175.5 0.3 . 1 . . . . . . . . 4936 1 353 . 1 1 76 76 TRP N N 15 113.5 0.3 . 1 . . . . . . . . 4936 1 354 . 1 1 76 76 TRP H H 1 7.96 0.03 . 1 . . . . . . . . 4936 1 355 . 1 1 76 76 TRP CA C 13 55.5 0.3 . 1 . . . . . . . . 4936 1 356 . 1 1 76 76 TRP C C 13 176.1 0.3 . 1 . . . . . . . . 4936 1 357 . 1 1 77 77 ALA N N 15 124.4 0.3 . 1 . . . . . . . . 4936 1 358 . 1 1 77 77 ALA H H 1 7.67 0.03 . 1 . . . . . . . . 4936 1 359 . 1 1 77 77 ALA CA C 13 51.6 0.3 . 1 . . . . . . . . 4936 1 360 . 1 1 77 77 ALA CB C 13 21.2 0.3 . 1 . . . . . . . . 4936 1 361 . 1 1 77 77 ALA C C 13 175.3 0.3 . 1 . . . . . . . . 4936 1 362 . 1 1 78 78 SER N N 15 113.5 0.3 . 1 . . . . . . . . 4936 1 363 . 1 1 78 78 SER H H 1 8.01 0.03 . 1 . . . . . . . . 4936 1 364 . 1 1 78 78 SER CA C 13 57.0 0.3 . 1 . . . . . . . . 4936 1 365 . 1 1 78 78 SER CB C 13 64.9 0.3 . 1 . . . . . . . . 4936 1 366 . 1 1 78 78 SER C C 13 176.1 0.3 . 1 . . . . . . . . 4936 1 367 . 1 1 79 79 ILE N N 15 120.0 0.3 . 1 . . . . . . . . 4936 1 368 . 1 1 79 79 ILE H H 1 8.95 0.03 . 1 . . . . . . . . 4936 1 369 . 1 1 79 79 ILE CA C 13 58.0 0.3 . 1 . . . . . . . . 4936 1 370 . 1 1 79 79 ILE CB C 13 41.9 0.3 . 1 . . . . . . . . 4936 1 371 . 1 1 79 79 ILE C C 13 172.3 0.3 . 1 . . . . . . . . 4936 1 372 . 1 1 80 80 TYR N N 15 119.8 0.3 . 1 . . . . . . . . 4936 1 373 . 1 1 80 80 TYR H H 1 8.22 0.03 . 1 . . . . . . . . 4936 1 374 . 1 1 80 80 TYR CA C 13 55.5 0.3 . 1 . . . . . . . . 4936 1 375 . 1 1 80 80 TYR CB C 13 40.9 0.3 . 1 . . . . . . . . 4936 1 376 . 1 1 80 80 TYR C C 13 172.9 0.3 . 1 . . . . . . . . 4936 1 377 . 1 1 81 81 GLY N N 15 105.5 0.3 . 1 . . . . . . . . 4936 1 378 . 1 1 81 81 GLY H H 1 7.97 0.03 . 1 . . . . . . . . 4936 1 379 . 1 1 81 81 GLY CA C 13 43.8 0.3 . 1 . . . . . . . . 4936 1 380 . 1 1 81 81 GLY C C 13 170.7 0.3 . 1 . . . . . . . . 4936 1 381 . 1 1 82 82 VAL N N 15 110.8 0.3 . 1 . . . . . . . . 4936 1 382 . 1 1 82 82 VAL H H 1 8.43 0.03 . 1 . . . . . . . . 4936 1 383 . 1 1 82 82 VAL CA C 13 57.9 0.3 . 1 . . . . . . . . 4936 1 384 . 1 1 82 82 VAL CB C 13 35.1 0.3 . 1 . . . . . . . . 4936 1 385 . 1 1 82 82 VAL C C 13 174.2 0.3 . 1 . . . . . . . . 4936 1 386 . 1 1 83 83 VAL N N 15 112.8 0.3 . 1 . . . . . . . . 4936 1 387 . 1 1 83 83 VAL H H 1 8.82 0.03 . 1 . . . . . . . . 4936 1 388 . 1 1 83 83 VAL CA C 13 58.7 0.3 . 1 . . . . . . . . 4936 1 389 . 1 1 83 83 VAL C C 13 174.5 0.3 . 1 . . . . . . . . 4936 1 390 . 1 1 84 84 GLY N N 15 108.2 0.3 . 1 . . . . . . . . 4936 1 391 . 1 1 84 84 GLY H H 1 8.45 0.03 . 1 . . . . . . . . 4936 1 392 . 1 1 84 84 GLY CA C 13 46.4 0.3 . 1 . . . . . . . . 4936 1 393 . 1 1 84 84 GLY C C 13 171.2 0.3 . 1 . . . . . . . . 4936 1 394 . 1 1 85 85 VAL N N 15 121.7 0.3 . 1 . . . . . . . . 4936 1 395 . 1 1 85 85 VAL H H 1 8.73 0.03 . 1 . . . . . . . . 4936 1 396 . 1 1 85 85 VAL CA C 13 59.1 0.3 . 1 . . . . . . . . 4936 1 397 . 1 1 85 85 VAL CB C 13 35.6 0.3 . 1 . . . . . . . . 4936 1 398 . 1 1 85 85 VAL C C 13 172.4 0.3 . 1 . . . . . . . . 4936 1 399 . 1 1 86 86 GLY N N 15 113.2 0.3 . 1 . . . . . . . . 4936 1 400 . 1 1 86 86 GLY H H 1 8.85 0.03 . 1 . . . . . . . . 4936 1 401 . 1 1 86 86 GLY CA C 13 43.0 0.3 . 1 . . . . . . . . 4936 1 402 . 1 1 86 86 GLY C C 13 171.9 0.3 . 1 . . . . . . . . 4936 1 403 . 1 1 87 87 TYR N N 15 122.8 0.3 . 1 . . . . . . . . 4936 1 404 . 1 1 87 87 TYR H H 1 9.04 0.03 . 1 . . . . . . . . 4936 1 405 . 1 1 87 87 TYR CA C 13 55.4 0.3 . 1 . . . . . . . . 4936 1 406 . 1 1 87 87 TYR CB C 13 42.3 0.3 . 1 . . . . . . . . 4936 1 407 . 1 1 87 87 TYR C C 13 173.6 0.3 . 1 . . . . . . . . 4936 1 408 . 1 1 88 88 GLY N N 15 111.8 0.3 . 1 . . . . . . . . 4936 1 409 . 1 1 88 88 GLY H H 1 7.89 0.03 . 1 . . . . . . . . 4936 1 410 . 1 1 88 88 GLY CA C 13 44.1 0.3 . 1 . . . . . . . . 4936 1 411 . 1 1 88 88 GLY C C 13 174.1 0.3 . 1 . . . . . . . . 4936 1 412 . 1 1 89 89 LYS N N 15 106.4 0.3 . 1 . . . . . . . . 4936 1 413 . 1 1 89 89 LYS H H 1 8.61 0.03 . 1 . . . . . . . . 4936 1 414 . 1 1 89 89 LYS CA C 13 54.3 0.3 . 1 . . . . . . . . 4936 1 415 . 1 1 90 90 PHE CA C 13 54.9 0.3 . 1 . . . . . . . . 4936 1 416 . 1 1 90 90 PHE C C 13 174.9 0.3 . 1 . . . . . . . . 4936 1 417 . 1 1 91 91 GLN N N 15 121.6 0.3 . 1 . . . . . . . . 4936 1 418 . 1 1 91 91 GLN H H 1 8.27 0.03 . 1 . . . . . . . . 4936 1 419 . 1 1 91 91 GLN CA C 13 55.0 0.3 . 1 . . . . . . . . 4936 1 420 . 1 1 91 91 GLN CB C 13 29.5 0.3 . 1 . . . . . . . . 4936 1 421 . 1 1 91 91 GLN C C 13 175.9 0.3 . 1 . . . . . . . . 4936 1 422 . 1 1 92 92 THR N N 15 116.5 0.3 . 1 . . . . . . . . 4936 1 423 . 1 1 92 92 THR H H 1 8.40 0.03 . 1 . . . . . . . . 4936 1 424 . 1 1 92 92 THR CA C 13 60.6 0.3 . 1 . . . . . . . . 4936 1 425 . 1 1 92 92 THR CB C 13 69.1 0.3 . 1 . . . . . . . . 4936 1 426 . 1 1 92 92 THR C C 13 174.4 0.3 . 1 . . . . . . . . 4936 1 427 . 1 1 93 93 THR N N 15 115.6 0.3 . 1 . . . . . . . . 4936 1 428 . 1 1 93 93 THR H H 1 8.04 0.03 . 1 . . . . . . . . 4936 1 429 . 1 1 93 93 THR CA C 13 61.3 0.3 . 1 . . . . . . . . 4936 1 430 . 1 1 93 93 THR CB C 13 68.7 0.3 . 1 . . . . . . . . 4936 1 431 . 1 1 93 93 THR C C 13 174.4 0.3 . 1 . . . . . . . . 4936 1 432 . 1 1 94 94 GLU N N 15 122.8 0.3 . 1 . . . . . . . . 4936 1 433 . 1 1 94 94 GLU H H 1 8.29 0.03 . 1 . . . . . . . . 4936 1 434 . 1 1 94 94 GLU CA C 13 56.5 0.3 . 1 . . . . . . . . 4936 1 435 . 1 1 94 94 GLU CB C 13 29.1 0.3 . 1 . . . . . . . . 4936 1 436 . 1 1 94 94 GLU C C 13 175.5 0.3 . 1 . . . . . . . . 4936 1 437 . 1 1 95 95 TYR N N 15 119.7 0.3 . 1 . . . . . . . . 4936 1 438 . 1 1 95 95 TYR H H 1 7.85 0.03 . 1 . . . . . . . . 4936 1 439 . 1 1 95 95 TYR CA C 13 55.1 0.3 . 1 . . . . . . . . 4936 1 440 . 1 1 95 95 TYR CB C 13 37.6 0.3 . 1 . . . . . . . . 4936 1 441 . 1 1 96 96 PRO CA C 13 63.4 0.3 . 1 . . . . . . . . 4936 1 442 . 1 1 96 96 PRO CB C 13 30.9 0.3 . 1 . . . . . . . . 4936 1 443 . 1 1 96 96 PRO C C 13 176.9 0.3 . 1 . . . . . . . . 4936 1 444 . 1 1 97 97 THR N N 15 112.0 0.3 . 1 . . . . . . . . 4936 1 445 . 1 1 97 97 THR H H 1 7.88 0.03 . 1 . . . . . . . . 4936 1 446 . 1 1 97 97 THR CA C 13 61.6 0.3 . 1 . . . . . . . . 4936 1 447 . 1 1 97 97 THR CB C 13 68.8 0.3 . 1 . . . . . . . . 4936 1 448 . 1 1 97 97 THR C C 13 174.1 0.3 . 1 . . . . . . . . 4936 1 449 . 1 1 98 98 TYR N N 15 121.6 0.3 . 1 . . . . . . . . 4936 1 450 . 1 1 98 98 TYR H H 1 7.94 0.03 . 1 . . . . . . . . 4936 1 451 . 1 1 98 98 TYR CA C 13 57.2 0.3 . 1 . . . . . . . . 4936 1 452 . 1 1 98 98 TYR CB C 13 37.8 0.3 . 1 . . . . . . . . 4936 1 453 . 1 1 98 98 TYR C C 13 175.0 0.3 . 1 . . . . . . . . 4936 1 454 . 1 1 99 99 LYS N N 15 122.8 0.3 . 1 . . . . . . . . 4936 1 455 . 1 1 99 99 LYS H H 1 7.99 0.03 . 1 . . . . . . . . 4936 1 456 . 1 1 99 99 LYS CA C 13 55.6 0.3 . 1 . . . . . . . . 4936 1 457 . 1 1 99 99 LYS CB C 13 32.1 0.3 . 1 . . . . . . . . 4936 1 458 . 1 1 99 99 LYS C C 13 175.8 0.3 . 1 . . . . . . . . 4936 1 459 . 1 1 100 100 HIS N N 15 119.3 0.3 . 1 . . . . . . . . 4936 1 460 . 1 1 100 100 HIS H H 1 8.27 0.03 . 1 . . . . . . . . 4936 1 461 . 1 1 100 100 HIS CA C 13 54.6 0.3 . 1 . . . . . . . . 4936 1 462 . 1 1 100 100 HIS CB C 13 28.7 0.3 . 1 . . . . . . . . 4936 1 463 . 1 1 100 100 HIS C C 13 173.7 0.3 . 1 . . . . . . . . 4936 1 464 . 1 1 101 101 ASP N N 15 122.4 0.3 . 1 . . . . . . . . 4936 1 465 . 1 1 101 101 ASP H H 1 8.36 0.03 . 1 . . . . . . . . 4936 1 466 . 1 1 101 101 ASP CA C 13 53.7 0.3 . 1 . . . . . . . . 4936 1 467 . 1 1 101 101 ASP CB C 13 40.7 0.3 . 1 . . . . . . . . 4936 1 468 . 1 1 101 101 ASP C C 13 175.9 0.3 . 1 . . . . . . . . 4936 1 469 . 1 1 102 102 THR N N 15 115.3 0.3 . 1 . . . . . . . . 4936 1 470 . 1 1 102 102 THR H H 1 8.27 0.03 . 1 . . . . . . . . 4936 1 471 . 1 1 102 102 THR CA C 13 61.3 0.3 . 1 . . . . . . . . 4936 1 472 . 1 1 102 102 THR CB C 13 69.2 0.3 . 1 . . . . . . . . 4936 1 473 . 1 1 102 102 THR C C 13 173.6 0.3 . 1 . . . . . . . . 4936 1 474 . 1 1 103 103 THR N N 15 118.4 0.3 . 1 . . . . . . . . 4936 1 475 . 1 1 103 103 THR H H 1 8.19 0.03 . 1 . . . . . . . . 4936 1 476 . 1 1 103 103 THR CA C 13 57.2 0.3 . 1 . . . . . . . . 4936 1 477 . 1 1 103 103 THR CB C 13 64.1 0.3 . 1 . . . . . . . . 4936 1 478 . 1 1 103 103 THR C C 13 173.5 0.3 . 1 . . . . . . . . 4936 1 479 . 1 1 104 104 ASP N N 15 121.4 0.3 . 1 . . . . . . . . 4936 1 480 . 1 1 104 104 ASP H H 1 8.14 0.03 . 1 . . . . . . . . 4936 1 481 . 1 1 104 104 ASP CA C 13 53.4 0.3 . 1 . . . . . . . . 4936 1 482 . 1 1 104 104 ASP CB C 13 43.0 0.3 . 1 . . . . . . . . 4936 1 483 . 1 1 104 104 ASP C C 13 172.9 0.3 . 1 . . . . . . . . 4936 1 484 . 1 1 105 105 TYR N N 15 116.0 0.3 . 1 . . . . . . . . 4936 1 485 . 1 1 105 105 TYR H H 1 8.36 0.03 . 1 . . . . . . . . 4936 1 486 . 1 1 105 105 TYR CA C 13 55.8 0.3 . 1 . . . . . . . . 4936 1 487 . 1 1 105 105 TYR CB C 13 41.2 0.3 . 1 . . . . . . . . 4936 1 488 . 1 1 105 105 TYR C C 13 176.1 0.3 . 1 . . . . . . . . 4936 1 489 . 1 1 106 106 GLY N N 15 107.8 0.3 . 1 . . . . . . . . 4936 1 490 . 1 1 106 106 GLY H H 1 9.03 0.03 . 1 . . . . . . . . 4936 1 491 . 1 1 106 106 GLY CA C 13 44.2 0.3 . 1 . . . . . . . . 4936 1 492 . 1 1 106 106 GLY C C 13 172.1 0.3 . 1 . . . . . . . . 4936 1 493 . 1 1 107 107 PHE N N 15 120.5 0.3 . 1 . . . . . . . . 4936 1 494 . 1 1 107 107 PHE H H 1 8.72 0.03 . 1 . . . . . . . . 4936 1 495 . 1 1 107 107 PHE CA C 13 57.3 0.3 . 1 . . . . . . . . 4936 1 496 . 1 1 107 107 PHE CB C 13 40.0 0.3 . 1 . . . . . . . . 4936 1 497 . 1 1 107 107 PHE C C 13 175.3 0.3 . 1 . . . . . . . . 4936 1 498 . 1 1 108 108 SER N N 15 121.5 0.3 . 1 . . . . . . . . 4936 1 499 . 1 1 108 108 SER H H 1 7.88 0.03 . 1 . . . . . . . . 4936 1 500 . 1 1 108 108 SER CA C 13 55.9 0.3 . 1 . . . . . . . . 4936 1 501 . 1 1 108 108 SER CB C 13 65.5 0.3 . 1 . . . . . . . . 4936 1 502 . 1 1 108 108 SER C C 13 171.5 0.3 . 1 . . . . . . . . 4936 1 503 . 1 1 109 109 TYR N N 15 117.9 0.3 . 1 . . . . . . . . 4936 1 504 . 1 1 109 109 TYR H H 1 8.51 0.03 . 1 . . . . . . . . 4936 1 505 . 1 1 109 109 TYR CA C 13 55.1 0.3 . 1 . . . . . . . . 4936 1 506 . 1 1 109 109 TYR CB C 13 39.5 0.3 . 1 . . . . . . . . 4936 1 507 . 1 1 109 109 TYR C C 13 173.1 0.3 . 1 . . . . . . . . 4936 1 508 . 1 1 110 110 GLY N N 15 105.9 0.3 . 1 . . . . . . . . 4936 1 509 . 1 1 110 110 GLY H H 1 8.81 0.03 . 1 . . . . . . . . 4936 1 510 . 1 1 110 110 GLY CA C 13 45.8 0.3 . 1 . . . . . . . . 4936 1 511 . 1 1 110 110 GLY C C 13 171.4 0.3 . 1 . . . . . . . . 4936 1 512 . 1 1 111 111 ALA N N 15 118.9 0.3 . 1 . . . . . . . . 4936 1 513 . 1 1 111 111 ALA H H 1 8.14 0.03 . 1 . . . . . . . . 4936 1 514 . 1 1 111 111 ALA CA C 13 50.7 0.3 . 1 . . . . . . . . 4936 1 515 . 1 1 111 111 ALA CB C 13 21.8 0.3 . 1 . . . . . . . . 4936 1 516 . 1 1 111 111 ALA C C 13 174.4 0.3 . 1 . . . . . . . . 4936 1 517 . 1 1 112 112 GLY N N 15 105.5 0.3 . 1 . . . . . . . . 4936 1 518 . 1 1 112 112 GLY H H 1 7.64 0.03 . 1 . . . . . . . . 4936 1 519 . 1 1 112 112 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 4936 1 520 . 1 1 112 112 GLY C C 13 169.6 0.3 . 1 . . . . . . . . 4936 1 521 . 1 1 113 113 LEU N N 15 115.9 0.3 . 1 . . . . . . . . 4936 1 522 . 1 1 113 113 LEU H H 1 8.83 0.03 . 1 . . . . . . . . 4936 1 523 . 1 1 113 113 LEU CA C 13 52.3 0.3 . 1 . . . . . . . . 4936 1 524 . 1 1 113 113 LEU CB C 13 46.2 0.3 . 1 . . . . . . . . 4936 1 525 . 1 1 113 113 LEU C C 13 174.8 0.3 . 1 . . . . . . . . 4936 1 526 . 1 1 114 114 GLN N N 15 115.5 0.3 . 1 . . . . . . . . 4936 1 527 . 1 1 114 114 GLN H H 1 7.78 0.03 . 1 . . . . . . . . 4936 1 528 . 1 1 114 114 GLN CA C 13 53.4 0.3 . 1 . . . . . . . . 4936 1 529 . 1 1 114 114 GLN CB C 13 32.9 0.3 . 1 . . . . . . . . 4936 1 530 . 1 1 114 114 GLN C C 13 176.5 0.3 . 1 . . . . . . . . 4936 1 531 . 1 1 115 115 PHE N N 15 126.1 0.3 . 1 . . . . . . . . 4936 1 532 . 1 1 115 115 PHE H H 1 9.63 0.03 . 1 . . . . . . . . 4936 1 533 . 1 1 115 115 PHE CA C 13 54.8 0.3 . 1 . . . . . . . . 4936 1 534 . 1 1 115 115 PHE CB C 13 42.8 0.3 . 1 . . . . . . . . 4936 1 535 . 1 1 115 115 PHE C C 13 175.3 0.3 . 1 . . . . . . . . 4936 1 536 . 1 1 116 116 ASN N N 15 119.8 0.3 . 1 . . . . . . . . 4936 1 537 . 1 1 116 116 ASN H H 1 9.43 0.03 . 1 . . . . . . . . 4936 1 538 . 1 1 116 116 ASN CA C 13 50.9 0.3 . 1 . . . . . . . . 4936 1 539 . 1 1 116 116 ASN CB C 13 40.4 0.3 . 1 . . . . . . . . 4936 1 540 . 1 1 117 117 PRO CA C 13 63.7 0.3 . 1 . . . . . . . . 4936 1 541 . 1 1 117 117 PRO C C 13 175.1 0.3 . 1 . . . . . . . . 4936 1 542 . 1 1 118 118 MET N N 15 110.6 0.3 . 1 . . . . . . . . 4936 1 543 . 1 1 118 118 MET H H 1 7.24 0.03 . 1 . . . . . . . . 4936 1 544 . 1 1 118 118 MET CA C 13 53.8 0.3 . 1 . . . . . . . . 4936 1 545 . 1 1 118 118 MET CB C 13 35.6 0.3 . 1 . . . . . . . . 4936 1 546 . 1 1 118 118 MET C C 13 170.2 0.3 . 1 . . . . . . . . 4936 1 547 . 1 1 119 119 GLU N N 15 120.0 0.3 . 1 . . . . . . . . 4936 1 548 . 1 1 119 119 GLU H H 1 8.95 0.03 . 1 . . . . . . . . 4936 1 549 . 1 1 119 119 GLU CA C 13 58.9 0.3 . 1 . . . . . . . . 4936 1 550 . 1 1 119 119 GLU CB C 13 28.2 0.3 . 1 . . . . . . . . 4936 1 551 . 1 1 119 119 GLU C C 13 176.5 0.3 . 1 . . . . . . . . 4936 1 552 . 1 1 120 120 ASN N N 15 112.0 0.3 . 1 . . . . . . . . 4936 1 553 . 1 1 120 120 ASN H H 1 8.30 0.03 . 1 . . . . . . . . 4936 1 554 . 1 1 120 120 ASN CA C 13 53.0 0.3 . 1 . . . . . . . . 4936 1 555 . 1 1 120 120 ASN CB C 13 38.3 0.3 . 1 . . . . . . . . 4936 1 556 . 1 1 120 120 ASN C C 13 174.5 0.3 . 1 . . . . . . . . 4936 1 557 . 1 1 121 121 VAL N N 15 118.0 0.3 . 1 . . . . . . . . 4936 1 558 . 1 1 121 121 VAL H H 1 7.54 0.03 . 1 . . . . . . . . 4936 1 559 . 1 1 121 121 VAL CA C 13 60.3 0.3 . 1 . . . . . . . . 4936 1 560 . 1 1 121 121 VAL CB C 13 34.9 0.3 . 1 . . . . . . . . 4936 1 561 . 1 1 121 121 VAL C C 13 174.4 0.3 . 1 . . . . . . . . 4936 1 562 . 1 1 122 122 ALA N N 15 126.1 0.3 . 1 . . . . . . . . 4936 1 563 . 1 1 122 122 ALA H H 1 8.13 0.03 . 1 . . . . . . . . 4936 1 564 . 1 1 122 122 ALA CA C 13 49.3 0.3 . 1 . . . . . . . . 4936 1 565 . 1 1 122 122 ALA CB C 13 22.8 0.3 . 1 . . . . . . . . 4936 1 566 . 1 1 122 122 ALA C C 13 174.9 0.3 . 1 . . . . . . . . 4936 1 567 . 1 1 123 123 LEU N N 15 119.8 0.3 . 1 . . . . . . . . 4936 1 568 . 1 1 123 123 LEU H H 1 8.89 0.03 . 1 . . . . . . . . 4936 1 569 . 1 1 123 123 LEU CA C 13 53.2 0.3 . 1 . . . . . . . . 4936 1 570 . 1 1 123 123 LEU CB C 13 43.9 0.3 . 1 . . . . . . . . 4936 1 571 . 1 1 123 123 LEU C C 13 174.3 0.3 . 1 . . . . . . . . 4936 1 572 . 1 1 124 124 ASP N N 15 126.6 0.3 . 1 . . . . . . . . 4936 1 573 . 1 1 124 124 ASP H H 1 8.48 0.03 . 1 . . . . . . . . 4936 1 574 . 1 1 124 124 ASP CA C 13 53.5 0.3 . 1 . . . . . . . . 4936 1 575 . 1 1 124 124 ASP CB C 13 47.0 0.3 . 1 . . . . . . . . 4936 1 576 . 1 1 124 124 ASP C C 13 171.9 0.3 . 1 . . . . . . . . 4936 1 577 . 1 1 125 125 PHE N N 15 123.0 0.3 . 1 . . . . . . . . 4936 1 578 . 1 1 125 125 PHE H H 1 8.59 0.03 . 1 . . . . . . . . 4936 1 579 . 1 1 125 125 PHE CA C 13 55.3 0.3 . 1 . . . . . . . . 4936 1 580 . 1 1 125 125 PHE CB C 13 42.3 0.3 . 1 . . . . . . . . 4936 1 581 . 1 1 125 125 PHE C C 13 173.8 0.3 . 1 . . . . . . . . 4936 1 582 . 1 1 126 126 SER N N 15 118.7 0.3 . 1 . . . . . . . . 4936 1 583 . 1 1 126 126 SER H H 1 9.28 0.03 . 1 . . . . . . . . 4936 1 584 . 1 1 126 126 SER CA C 13 57.8 0.3 . 1 . . . . . . . . 4936 1 585 . 1 1 126 126 SER CB C 13 66.6 0.3 . 1 . . . . . . . . 4936 1 586 . 1 1 126 126 SER C C 13 171.3 0.3 . 1 . . . . . . . . 4936 1 587 . 1 1 127 127 TYR N N 15 117.9 0.3 . 1 . . . . . . . . 4936 1 588 . 1 1 127 127 TYR H H 1 8.39 0.03 . 1 . . . . . . . . 4936 1 589 . 1 1 127 127 TYR CA C 13 54.8 0.3 . 1 . . . . . . . . 4936 1 590 . 1 1 127 127 TYR CB C 13 42.2 0.3 . 1 . . . . . . . . 4936 1 591 . 1 1 127 127 TYR C C 13 174.1 0.3 . 1 . . . . . . . . 4936 1 592 . 1 1 128 128 GLU N N 15 129.9 0.3 . 1 . . . . . . . . 4936 1 593 . 1 1 128 128 GLU H H 1 8.43 0.03 . 1 . . . . . . . . 4936 1 594 . 1 1 128 128 GLU CA C 13 53.7 0.3 . 1 . . . . . . . . 4936 1 595 . 1 1 128 128 GLU CB C 13 33.4 0.3 . 1 . . . . . . . . 4936 1 596 . 1 1 128 128 GLU C C 13 172.2 0.3 . 1 . . . . . . . . 4936 1 597 . 1 1 129 129 GLN N N 15 127.3 0.3 . 1 . . . . . . . . 4936 1 598 . 1 1 129 129 GLN H H 1 9.16 0.03 . 1 . . . . . . . . 4936 1 599 . 1 1 129 129 GLN CA C 13 53.0 0.3 . 1 . . . . . . . . 4936 1 600 . 1 1 129 129 GLN CB C 13 31.0 0.3 . 1 . . . . . . . . 4936 1 601 . 1 1 129 129 GLN C C 13 173.6 0.3 . 1 . . . . . . . . 4936 1 602 . 1 1 130 130 SER N N 15 118.3 0.3 . 1 . . . . . . . . 4936 1 603 . 1 1 130 130 SER H H 1 8.41 0.03 . 1 . . . . . . . . 4936 1 604 . 1 1 130 130 SER CA C 13 56.1 0.3 . 1 . . . . . . . . 4936 1 605 . 1 1 130 130 SER CB C 13 65.8 0.3 . 1 . . . . . . . . 4936 1 606 . 1 1 130 130 SER C C 13 173.7 0.3 . 1 . . . . . . . . 4936 1 607 . 1 1 131 131 ARG N N 15 126.5 0.3 . 1 . . . . . . . . 4936 1 608 . 1 1 131 131 ARG H H 1 7.61 0.03 . 1 . . . . . . . . 4936 1 609 . 1 1 131 131 ARG CA C 13 54.9 0.3 . 1 . . . . . . . . 4936 1 610 . 1 1 131 131 ARG CB C 13 30.6 0.3 . 1 . . . . . . . . 4936 1 611 . 1 1 131 131 ARG C C 13 174.6 0.3 . 1 . . . . . . . . 4936 1 612 . 1 1 132 132 ILE N N 15 129.2 0.3 . 1 . . . . . . . . 4936 1 613 . 1 1 132 132 ILE H H 1 8.68 0.03 . 1 . . . . . . . . 4936 1 614 . 1 1 132 132 ILE CA C 13 58.6 0.3 . 1 . . . . . . . . 4936 1 615 . 1 1 132 132 ILE CB C 13 38.3 0.3 . 1 . . . . . . . . 4936 1 616 . 1 1 132 132 ILE C C 13 175.2 0.3 . 1 . . . . . . . . 4936 1 617 . 1 1 133 133 ARG N N 15 126.8 0.3 . 1 . . . . . . . . 4936 1 618 . 1 1 133 133 ARG H H 1 9.31 0.03 . 1 . . . . . . . . 4936 1 619 . 1 1 133 133 ARG CA C 13 57.7 0.3 . 1 . . . . . . . . 4936 1 620 . 1 1 133 133 ARG CB C 13 27.2 0.3 . 1 . . . . . . . . 4936 1 621 . 1 1 134 134 SER C C 13 173.0 0.3 . 1 . . . . . . . . 4936 1 622 . 1 1 135 135 VAL N N 15 124.0 0.3 . 1 . . . . . . . . 4936 1 623 . 1 1 135 135 VAL H H 1 8.13 0.03 . 1 . . . . . . . . 4936 1 624 . 1 1 135 135 VAL CA C 13 61.4 0.3 . 1 . . . . . . . . 4936 1 625 . 1 1 135 135 VAL CB C 13 32.2 0.3 . 1 . . . . . . . . 4936 1 626 . 1 1 135 135 VAL C C 13 174.5 0.3 . 1 . . . . . . . . 4936 1 627 . 1 1 136 136 ASP N N 15 127.2 0.3 . 1 . . . . . . . . 4936 1 628 . 1 1 136 136 ASP H H 1 8.07 0.03 . 1 . . . . . . . . 4936 1 629 . 1 1 136 136 ASP CA C 13 53.7 0.3 . 1 . . . . . . . . 4936 1 630 . 1 1 136 136 ASP CB C 13 40.8 0.3 . 1 . . . . . . . . 4936 1 631 . 1 1 136 136 ASP C C 13 175.0 0.3 . 1 . . . . . . . . 4936 1 632 . 1 1 137 137 VAL N N 15 124.4 0.3 . 1 . . . . . . . . 4936 1 633 . 1 1 137 137 VAL H H 1 8.68 0.03 . 1 . . . . . . . . 4936 1 634 . 1 1 137 137 VAL CA C 13 60.2 0.3 . 1 . . . . . . . . 4936 1 635 . 1 1 137 137 VAL CB C 13 32.4 0.3 . 1 . . . . . . . . 4936 1 636 . 1 1 137 137 VAL C C 13 174.8 0.3 . 1 . . . . . . . . 4936 1 637 . 1 1 138 138 GLY N N 15 117.6 0.3 . 1 . . . . . . . . 4936 1 638 . 1 1 138 138 GLY H H 1 8.27 0.03 . 1 . . . . . . . . 4936 1 639 . 1 1 138 138 GLY CA C 13 44.3 0.3 . 1 . . . . . . . . 4936 1 640 . 1 1 138 138 GLY C C 13 172.7 0.3 . 1 . . . . . . . . 4936 1 641 . 1 1 139 139 THR N N 15 123.8 0.3 . 1 . . . . . . . . 4936 1 642 . 1 1 139 139 THR H H 1 8.68 0.03 . 1 . . . . . . . . 4936 1 643 . 1 1 139 139 THR CA C 13 60.6 0.3 . 1 . . . . . . . . 4936 1 644 . 1 1 139 139 THR CB C 13 69.6 0.3 . 1 . . . . . . . . 4936 1 645 . 1 1 139 139 THR C C 13 172.0 0.3 . 1 . . . . . . . . 4936 1 646 . 1 1 140 140 TRP N N 15 126.3 0.3 . 1 . . . . . . . . 4936 1 647 . 1 1 140 140 TRP H H 1 8.37 0.03 . 1 . . . . . . . . 4936 1 648 . 1 1 140 140 TRP CA C 13 55.7 0.3 . 1 . . . . . . . . 4936 1 649 . 1 1 140 140 TRP CB C 13 32.2 0.3 . 1 . . . . . . . . 4936 1 650 . 1 1 140 140 TRP C C 13 175.3 0.3 . 1 . . . . . . . . 4936 1 651 . 1 1 141 141 ILE N N 15 122.7 0.3 . 1 . . . . . . . . 4936 1 652 . 1 1 141 141 ILE H H 1 8.87 0.03 . 1 . . . . . . . . 4936 1 653 . 1 1 141 141 ILE CA C 13 60.0 0.3 . 1 . . . . . . . . 4936 1 654 . 1 1 141 141 ILE CB C 13 40.3 0.3 . 1 . . . . . . . . 4936 1 655 . 1 1 141 141 ILE C C 13 174.7 0.3 . 1 . . . . . . . . 4936 1 656 . 1 1 142 142 ALA N N 15 127.3 0.3 . 1 . . . . . . . . 4936 1 657 . 1 1 142 142 ALA H H 1 8.16 0.03 . 1 . . . . . . . . 4936 1 658 . 1 1 142 142 ALA CA C 13 50.3 0.3 . 1 . . . . . . . . 4936 1 659 . 1 1 142 142 ALA CB C 13 21.7 0.3 . 1 . . . . . . . . 4936 1 660 . 1 1 142 142 ALA C C 13 175.6 0.3 . 1 . . . . . . . . 4936 1 661 . 1 1 143 143 GLY N N 15 108.5 0.3 . 1 . . . . . . . . 4936 1 662 . 1 1 143 143 GLY H H 1 9.47 0.03 . 1 . . . . . . . . 4936 1 663 . 1 1 143 143 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 4936 1 664 . 1 1 143 143 GLY C C 13 172.0 0.3 . 1 . . . . . . . . 4936 1 665 . 1 1 144 144 VAL N N 15 113.5 0.3 . 1 . . . . . . . . 4936 1 666 . 1 1 144 144 VAL H H 1 8.63 0.03 . 1 . . . . . . . . 4936 1 667 . 1 1 144 144 VAL CA C 13 57.9 0.3 . 1 . . . . . . . . 4936 1 668 . 1 1 144 144 VAL CB C 13 35.3 0.3 . 1 . . . . . . . . 4936 1 669 . 1 1 144 144 VAL C C 13 173.7 0.3 . 1 . . . . . . . . 4936 1 670 . 1 1 145 145 GLY N N 15 107.4 0.3 . 1 . . . . . . . . 4936 1 671 . 1 1 145 145 GLY H H 1 8.40 0.03 . 1 . . . . . . . . 4936 1 672 . 1 1 145 145 GLY CA C 13 46.0 0.3 . 1 . . . . . . . . 4936 1 673 . 1 1 145 145 GLY C C 13 171.3 0.3 . 1 . . . . . . . . 4936 1 674 . 1 1 146 146 TYR N N 15 119.2 0.3 . 1 . . . . . . . . 4936 1 675 . 1 1 146 146 TYR H H 1 8.04 0.03 . 1 . . . . . . . . 4936 1 676 . 1 1 146 146 TYR CA C 13 55.0 0.3 . 1 . . . . . . . . 4936 1 677 . 1 1 146 146 TYR CB C 13 42.9 0.3 . 1 . . . . . . . . 4936 1 678 . 1 1 146 146 TYR C C 13 172.4 0.3 . 1 . . . . . . . . 4936 1 679 . 1 1 147 147 ARG N N 15 125.8 0.3 . 1 . . . . . . . . 4936 1 680 . 1 1 147 147 ARG H H 1 7.72 0.03 . 1 . . . . . . . . 4936 1 681 . 1 1 147 147 ARG CA C 13 53.1 0.3 . 1 . . . . . . . . 4936 1 682 . 1 1 147 147 ARG CB C 13 32.4 0.3 . 1 . . . . . . . . 4936 1 683 . 1 1 147 147 ARG C C 13 174.2 0.3 . 1 . . . . . . . . 4936 1 684 . 1 1 148 148 PHE N N 15 128.4 0.3 . 1 . . . . . . . . 4936 1 685 . 1 1 148 148 PHE H H 1 8.79 0.03 . 1 . . . . . . . . 4936 1 686 . 1 1 148 148 PHE CA C 13 57.5 0.3 . 1 . . . . . . . . 4936 1 687 . 1 1 148 148 PHE CB C 13 39.9 0.3 . 1 . . . . . . . . 4936 1 stop_ save_