data_19410 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19410 _Entry.Title ; Conformation and dynamics of the periplasmic membrane-protein chaperone complexes OmpX Skp and tOmpA Skp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-03 _Entry.Accession_date 2013-08-03 _Entry.Last_release_date 2015-07-16 _Entry.Original_release_date 2015-07-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'tOmpA (transmembrane domain of OmpA) backbone chemical shifts when bound to the Skp chaperone' _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 Bjoern Burmann . M. . 19410 2 Congwei Wang . . . 19410 3 Sebastian Hiller . . . 19410 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19410 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 19410 '15N chemical shifts' 167 19410 '1H chemical shifts' 167 19410 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-07-16 2013-08-03 update author 'update entry citation' 19410 1 . . 2013-09-10 2013-08-03 original author 'original release' 19410 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19407 'Corresponding chemical shifts of Skp when bound to its substrate OmpX' 19410 BMRB 19408 'Corresponding chemical shifts of apo-SKP' 19410 BMRB 19409 'Trimeric Skp bound with bound tOmpA' 19410 BMRB 19411 'OmpX within the trimeric chaperone Skp' 19410 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19410 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24077225 _Citation.Full_citation . _Citation.Title ; Conformation and dynamics of the periplasmic membrane-protein-chaperone complexes OmpX-Skp and tOmpA-Skp ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature Structural and Molecular Biology' _Citation.Journal_volume 20 _Citation.Journal_issue 11 _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 1265 _Citation.Page_last 1272 _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 Bjoern Burmann . M. . 19410 1 2 Congwei Wang . . . 19410 1 3 Sebastian Hiller . . . 19410 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19410 _Assembly.ID 1 _Assembly.Name 'tOmpA within the tirmeric chaperone Skp' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 67100 _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 tOmpA 1 $Escherichia_Coli_tOmpA A . yes unfolded no no . . . 19410 1 2 'Skp, chain 1' 2 $Escherichia_Coli_Skp B . no native no no . . . 19410 1 3 'Skp, chain 2' 2 $Escherichia_Coli_Skp C . no native no no . . . 19410 1 4 'Skp, chain 3' 2 $Escherichia_Coli_Skp D . no native no no . . . 19410 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Escherichia_Coli_tOmpA _Entity.Sf_category entity _Entity.Sf_framecode Escherichia_Coli_tOmpA _Entity.Entry_ID 19410 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Escherichia_Coli_tOmpA _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 ; MAPKDNTWYTGAKLGWSQYH DTGFINNNGPTHENQLGAGA FGGYQVNPYVGFEMGYDWLG RMPYKGSVENGAYKAQGVQL TAKLGYPITDDLDIYTRLGG MVWRADTKSNVYGKNHDTGV SPVFAGGVEYAITPEIATRL EYQWTNNIGDAHTIGTRPDN GMLSLGVSYRFGQGEAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'native processed transmembrane domain of E. coli OmpA (residues 22 - 197) + initiator methionine' _Entity.Polymer_author_seq_details 'native processed transmembrane domain of E. coli OmpA (residues 22 - 197) + initiator methionine' _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 177 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Escherichia Coli tOmpA' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes UNP P0A910 . . . . . . . . . . . . . . . . 19410 1 2 no BMRB 19940 . OmpA . . . . . 99.44 176 97.73 100.00 4.06e-122 . . . . 19410 1 3 no PDB 1BXW . "Outer Membrane Protein A (Ompa) Transmembrane Domain" . . . . . 97.18 172 98.26 98.84 1.78e-119 . . . . 19410 1 4 no PDB 1G90 . "Nmr Solution Structure Of Outer Membrane Protein A Transmembrane Domain: 10 Conformers" . . . . . 98.87 176 97.71 100.00 3.90e-121 . . . . 19410 1 5 no PDB 1QJP . "High Resolution Structure Of The Outer Membrane Protein A (ompa) Transmembrane Domain" . . . . . 96.61 171 98.83 99.42 3.65e-119 . . . . 19410 1 6 no PDB 2GE4 . "High-Resolution Solution Structure Of Outer Membrane Protein A Transmembrane Domain" . . . . . 100.00 177 97.74 100.00 6.13e-123 . . . . 19410 1 7 no PDB 3NB3 . "The Host Outer Membrane Proteins Ompa And Ompc Are Packed At Specific Sites In The Shigella Phage Sf6 Virion As Structural Comp" . . . . . 99.44 346 98.86 99.43 1.43e-123 . . . . 19410 1 8 no DBJ BAA35715 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K12 substr. W3110]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 9 no DBJ BAB34464 . "outer membrane protein 3a [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 10 no DBJ BAG76542 . "outer membrane protein OmpA [Escherichia coli SE11]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 11 no DBJ BAI24400 . "outer membrane protein A [Escherichia coli O26:H11 str. 11368]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 12 no DBJ BAI29850 . "outer membrane protein A [Escherichia coli O103:H2 str. 12009]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 13 no EMBL CAA23588 . "ompA protein [Escherichia coli]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 14 no EMBL CAP75420 . "Outer membrane protein A [Escherichia coli LF82]" . . . . . 99.44 346 98.30 98.86 3.14e-123 . . . . 19410 1 15 no EMBL CAQ31485 . "outer membrane protein 3a (II*;G;d) [Escherichia coli BL21(DE3)]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 16 no EMBL CAR02310 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli S88]" . . . . . 99.44 346 99.43 100.00 2.06e-125 . . . . 19410 1 17 no EMBL CAR07182 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli ED1a]" . . . . . 99.44 346 98.30 99.43 3.83e-124 . . . . 19410 1 18 no GB AAC74043 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 19 no GB AAF37887 . "outer membrane protein A [Escherichia coli RS218]" . . . . . 99.44 346 99.43 100.00 2.06e-125 . . . . 19410 1 20 no GB AAG55443 . "outer membrane protein 3a (II*;G;d) [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 21 no GB AAP74759 . "outer membrane protein A precursor [Shigella sonnei]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 22 no GB AAT02227 . "outer membrane protein A precursor [Shigella boydii]" . . . . . 99.44 346 100.00 100.00 1.55e-125 . . . . 19410 1 23 no REF NP_309068 . "outer membrane protein A [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 24 no REF NP_415477 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 25 no REF WP_000315442 . "membrane protein, partial [Escherichia coli]" . . . . . 99.44 343 100.00 100.00 2.20e-125 . . . . 19410 1 26 no REF WP_000630860 . "membrane protein, partial [Escherichia coli]" . . . . . 99.44 335 100.00 100.00 2.78e-125 . . . . 19410 1 27 no REF WP_000750416 . "MULTISPECIES: outer membrane protein A [Enterobacteriaceae]" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 28 no SP P0A910 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II*; Flags: Precursor" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 29 no SP P0A911 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II*; Flags: Precursor" . . . . . 99.44 346 100.00 100.00 1.41e-125 . . . . 19410 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19410 1 2 . ALA . 19410 1 3 . PRO . 19410 1 4 . LYS . 19410 1 5 . ASP . 19410 1 6 . ASN . 19410 1 7 . THR . 19410 1 8 . TRP . 19410 1 9 . TYR . 19410 1 10 . THR . 19410 1 11 . GLY . 19410 1 12 . ALA . 19410 1 13 . LYS . 19410 1 14 . LEU . 19410 1 15 . GLY . 19410 1 16 . TRP . 19410 1 17 . SER . 19410 1 18 . GLN . 19410 1 19 . TYR . 19410 1 20 . HIS . 19410 1 21 . ASP . 19410 1 22 . THR . 19410 1 23 . GLY . 19410 1 24 . PHE . 19410 1 25 . ILE . 19410 1 26 . ASN . 19410 1 27 . ASN . 19410 1 28 . ASN . 19410 1 29 . GLY . 19410 1 30 . PRO . 19410 1 31 . THR . 19410 1 32 . HIS . 19410 1 33 . GLU . 19410 1 34 . ASN . 19410 1 35 . GLN . 19410 1 36 . LEU . 19410 1 37 . GLY . 19410 1 38 . ALA . 19410 1 39 . GLY . 19410 1 40 . ALA . 19410 1 41 . PHE . 19410 1 42 . GLY . 19410 1 43 . GLY . 19410 1 44 . TYR . 19410 1 45 . GLN . 19410 1 46 . VAL . 19410 1 47 . ASN . 19410 1 48 . PRO . 19410 1 49 . TYR . 19410 1 50 . VAL . 19410 1 51 . GLY . 19410 1 52 . PHE . 19410 1 53 . GLU . 19410 1 54 . MET . 19410 1 55 . GLY . 19410 1 56 . TYR . 19410 1 57 . ASP . 19410 1 58 . TRP . 19410 1 59 . LEU . 19410 1 60 . GLY . 19410 1 61 . ARG . 19410 1 62 . MET . 19410 1 63 . PRO . 19410 1 64 . TYR . 19410 1 65 . LYS . 19410 1 66 . GLY . 19410 1 67 . SER . 19410 1 68 . VAL . 19410 1 69 . GLU . 19410 1 70 . ASN . 19410 1 71 . GLY . 19410 1 72 . ALA . 19410 1 73 . TYR . 19410 1 74 . LYS . 19410 1 75 . ALA . 19410 1 76 . GLN . 19410 1 77 . GLY . 19410 1 78 . VAL . 19410 1 79 . GLN . 19410 1 80 . LEU . 19410 1 81 . THR . 19410 1 82 . ALA . 19410 1 83 . LYS . 19410 1 84 . LEU . 19410 1 85 . GLY . 19410 1 86 . TYR . 19410 1 87 . PRO . 19410 1 88 . ILE . 19410 1 89 . THR . 19410 1 90 . ASP . 19410 1 91 . ASP . 19410 1 92 . LEU . 19410 1 93 . ASP . 19410 1 94 . ILE . 19410 1 95 . TYR . 19410 1 96 . THR . 19410 1 97 . ARG . 19410 1 98 . LEU . 19410 1 99 . GLY . 19410 1 100 . GLY . 19410 1 101 . MET . 19410 1 102 . VAL . 19410 1 103 . TRP . 19410 1 104 . ARG . 19410 1 105 . ALA . 19410 1 106 . ASP . 19410 1 107 . THR . 19410 1 108 . LYS . 19410 1 109 . SER . 19410 1 110 . ASN . 19410 1 111 . VAL . 19410 1 112 . TYR . 19410 1 113 . GLY . 19410 1 114 . LYS . 19410 1 115 . ASN . 19410 1 116 . HIS . 19410 1 117 . ASP . 19410 1 118 . THR . 19410 1 119 . GLY . 19410 1 120 . VAL . 19410 1 121 . SER . 19410 1 122 . PRO . 19410 1 123 . VAL . 19410 1 124 . PHE . 19410 1 125 . ALA . 19410 1 126 . GLY . 19410 1 127 . GLY . 19410 1 128 . VAL . 19410 1 129 . GLU . 19410 1 130 . TYR . 19410 1 131 . ALA . 19410 1 132 . ILE . 19410 1 133 . THR . 19410 1 134 . PRO . 19410 1 135 . GLU . 19410 1 136 . ILE . 19410 1 137 . ALA . 19410 1 138 . THR . 19410 1 139 . ARG . 19410 1 140 . LEU . 19410 1 141 . GLU . 19410 1 142 . TYR . 19410 1 143 . GLN . 19410 1 144 . TRP . 19410 1 145 . THR . 19410 1 146 . ASN . 19410 1 147 . ASN . 19410 1 148 . ILE . 19410 1 149 . GLY . 19410 1 150 . ASP . 19410 1 151 . ALA . 19410 1 152 . HIS . 19410 1 153 . THR . 19410 1 154 . ILE . 19410 1 155 . GLY . 19410 1 156 . THR . 19410 1 157 . ARG . 19410 1 158 . PRO . 19410 1 159 . ASP . 19410 1 160 . ASN . 19410 1 161 . GLY . 19410 1 162 . MET . 19410 1 163 . LEU . 19410 1 164 . SER . 19410 1 165 . LEU . 19410 1 166 . GLY . 19410 1 167 . VAL . 19410 1 168 . SER . 19410 1 169 . TYR . 19410 1 170 . ARG . 19410 1 171 . PHE . 19410 1 172 . GLY . 19410 1 173 . GLN . 19410 1 174 . GLY . 19410 1 175 . GLU . 19410 1 176 . ALA . 19410 1 177 . ALA . 19410 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19410 1 . ALA 2 2 19410 1 . PRO 3 3 19410 1 . LYS 4 4 19410 1 . ASP 5 5 19410 1 . ASN 6 6 19410 1 . THR 7 7 19410 1 . TRP 8 8 19410 1 . TYR 9 9 19410 1 . THR 10 10 19410 1 . GLY 11 11 19410 1 . ALA 12 12 19410 1 . LYS 13 13 19410 1 . LEU 14 14 19410 1 . GLY 15 15 19410 1 . TRP 16 16 19410 1 . SER 17 17 19410 1 . GLN 18 18 19410 1 . TYR 19 19 19410 1 . HIS 20 20 19410 1 . ASP 21 21 19410 1 . THR 22 22 19410 1 . GLY 23 23 19410 1 . PHE 24 24 19410 1 . ILE 25 25 19410 1 . ASN 26 26 19410 1 . ASN 27 27 19410 1 . ASN 28 28 19410 1 . GLY 29 29 19410 1 . PRO 30 30 19410 1 . THR 31 31 19410 1 . HIS 32 32 19410 1 . GLU 33 33 19410 1 . ASN 34 34 19410 1 . GLN 35 35 19410 1 . LEU 36 36 19410 1 . GLY 37 37 19410 1 . ALA 38 38 19410 1 . GLY 39 39 19410 1 . ALA 40 40 19410 1 . PHE 41 41 19410 1 . GLY 42 42 19410 1 . GLY 43 43 19410 1 . TYR 44 44 19410 1 . GLN 45 45 19410 1 . VAL 46 46 19410 1 . ASN 47 47 19410 1 . PRO 48 48 19410 1 . TYR 49 49 19410 1 . VAL 50 50 19410 1 . GLY 51 51 19410 1 . PHE 52 52 19410 1 . GLU 53 53 19410 1 . MET 54 54 19410 1 . GLY 55 55 19410 1 . TYR 56 56 19410 1 . ASP 57 57 19410 1 . TRP 58 58 19410 1 . LEU 59 59 19410 1 . GLY 60 60 19410 1 . ARG 61 61 19410 1 . MET 62 62 19410 1 . PRO 63 63 19410 1 . TYR 64 64 19410 1 . LYS 65 65 19410 1 . GLY 66 66 19410 1 . SER 67 67 19410 1 . VAL 68 68 19410 1 . GLU 69 69 19410 1 . ASN 70 70 19410 1 . GLY 71 71 19410 1 . ALA 72 72 19410 1 . TYR 73 73 19410 1 . LYS 74 74 19410 1 . ALA 75 75 19410 1 . GLN 76 76 19410 1 . GLY 77 77 19410 1 . VAL 78 78 19410 1 . GLN 79 79 19410 1 . LEU 80 80 19410 1 . THR 81 81 19410 1 . ALA 82 82 19410 1 . LYS 83 83 19410 1 . LEU 84 84 19410 1 . GLY 85 85 19410 1 . TYR 86 86 19410 1 . PRO 87 87 19410 1 . ILE 88 88 19410 1 . THR 89 89 19410 1 . ASP 90 90 19410 1 . ASP 91 91 19410 1 . LEU 92 92 19410 1 . ASP 93 93 19410 1 . ILE 94 94 19410 1 . TYR 95 95 19410 1 . THR 96 96 19410 1 . ARG 97 97 19410 1 . LEU 98 98 19410 1 . GLY 99 99 19410 1 . GLY 100 100 19410 1 . MET 101 101 19410 1 . VAL 102 102 19410 1 . TRP 103 103 19410 1 . ARG 104 104 19410 1 . ALA 105 105 19410 1 . ASP 106 106 19410 1 . THR 107 107 19410 1 . LYS 108 108 19410 1 . SER 109 109 19410 1 . ASN 110 110 19410 1 . VAL 111 111 19410 1 . TYR 112 112 19410 1 . GLY 113 113 19410 1 . LYS 114 114 19410 1 . ASN 115 115 19410 1 . HIS 116 116 19410 1 . ASP 117 117 19410 1 . THR 118 118 19410 1 . GLY 119 119 19410 1 . VAL 120 120 19410 1 . SER 121 121 19410 1 . PRO 122 122 19410 1 . VAL 123 123 19410 1 . PHE 124 124 19410 1 . ALA 125 125 19410 1 . GLY 126 126 19410 1 . GLY 127 127 19410 1 . VAL 128 128 19410 1 . GLU 129 129 19410 1 . TYR 130 130 19410 1 . ALA 131 131 19410 1 . ILE 132 132 19410 1 . THR 133 133 19410 1 . PRO 134 134 19410 1 . GLU 135 135 19410 1 . ILE 136 136 19410 1 . ALA 137 137 19410 1 . THR 138 138 19410 1 . ARG 139 139 19410 1 . LEU 140 140 19410 1 . GLU 141 141 19410 1 . TYR 142 142 19410 1 . GLN 143 143 19410 1 . TRP 144 144 19410 1 . THR 145 145 19410 1 . ASN 146 146 19410 1 . ASN 147 147 19410 1 . ILE 148 148 19410 1 . GLY 149 149 19410 1 . ASP 150 150 19410 1 . ALA 151 151 19410 1 . HIS 152 152 19410 1 . THR 153 153 19410 1 . ILE 154 154 19410 1 . GLY 155 155 19410 1 . THR 156 156 19410 1 . ARG 157 157 19410 1 . PRO 158 158 19410 1 . ASP 159 159 19410 1 . ASN 160 160 19410 1 . GLY 161 161 19410 1 . MET 162 162 19410 1 . LEU 163 163 19410 1 . SER 164 164 19410 1 . LEU 165 165 19410 1 . GLY 166 166 19410 1 . VAL 167 167 19410 1 . SER 168 168 19410 1 . TYR 169 169 19410 1 . ARG 170 170 19410 1 . PHE 171 171 19410 1 . GLY 172 172 19410 1 . GLN 173 173 19410 1 . GLY 174 174 19410 1 . GLU 175 175 19410 1 . ALA 176 176 19410 1 . ALA 177 177 19410 1 stop_ save_ save_Escherichia_Coli_Skp _Entity.Sf_category entity _Entity.Sf_framecode Escherichia_Coli_Skp _Entity.Entry_ID 19410 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Escherichia_Coli_Skp _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 ; MGSSHHHHHHSSGLVPRGSH MADKIAIVNMGSLFQQVAQK TGVSNTLENEFKGRASELQR METDLQAKMKKLQSMKAGSD RTKLEKDVMAQRQTFAQKAQ AFEQDRARRSNEERGKLVTR IQTAVKSVANSQDIDLVVDA NAVAYNSSDVKDITADVLKQ VK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; native processed E. coli Skp (rseidues 21 - 162) + initiator methionine + hexa-histidin tag + thrombin cleavage site (coming from pET28b) ; _Entity.Polymer_author_seq_details ; native processed E. coli Skp (rseidues 21 - 162) + initiator methionine + hexa-histidin tag + thrombin cleavage site (coming from pET28b) ; _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'Escherichia Coli Skp' _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 . 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 yes UNP P0AEU7 . . . . . . . . . . . . . . . . 19410 2 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 0 MET . 19410 2 2 1 GLY . 19410 2 3 2 SER . 19410 2 4 3 SER . 19410 2 5 4 HIS . 19410 2 6 5 HIS . 19410 2 7 6 HIS . 19410 2 8 7 HIS . 19410 2 9 8 HIS . 19410 2 10 9 HIS . 19410 2 11 10 SER . 19410 2 12 11 SER . 19410 2 13 12 GLY . 19410 2 14 13 LEU . 19410 2 15 14 VAL . 19410 2 16 15 PRO . 19410 2 17 16 ARG . 19410 2 18 17 GLY . 19410 2 19 18 SER . 19410 2 20 19 HIS . 19410 2 21 20 MET . 19410 2 22 21 ALA . 19410 2 23 22 ASP . 19410 2 24 23 LYS . 19410 2 25 24 ILE . 19410 2 26 25 ALA . 19410 2 27 26 ILE . 19410 2 28 27 VAL . 19410 2 29 28 ASN . 19410 2 30 29 MET . 19410 2 31 30 GLY . 19410 2 32 31 SER . 19410 2 33 32 LEU . 19410 2 34 33 PHE . 19410 2 35 34 GLN . 19410 2 36 35 GLN . 19410 2 37 36 VAL . 19410 2 38 37 ALA . 19410 2 39 38 GLN . 19410 2 40 39 LYS . 19410 2 41 40 THR . 19410 2 42 41 GLY . 19410 2 43 42 VAL . 19410 2 44 43 SER . 19410 2 45 44 ASN . 19410 2 46 45 THR . 19410 2 47 46 LEU . 19410 2 48 47 GLU . 19410 2 49 48 ASN . 19410 2 50 49 GLU . 19410 2 51 50 PHE . 19410 2 52 51 LYS . 19410 2 53 52 GLY . 19410 2 54 53 ARG . 19410 2 55 54 ALA . 19410 2 56 55 SER . 19410 2 57 56 GLU . 19410 2 58 57 LEU . 19410 2 59 58 GLN . 19410 2 60 59 ARG . 19410 2 61 60 MET . 19410 2 62 61 GLU . 19410 2 63 62 THR . 19410 2 64 63 ASP . 19410 2 65 64 LEU . 19410 2 66 65 GLN . 19410 2 67 66 ALA . 19410 2 68 67 LYS . 19410 2 69 68 MET . 19410 2 70 69 LYS . 19410 2 71 70 LYS . 19410 2 72 71 LEU . 19410 2 73 72 GLN . 19410 2 74 73 SER . 19410 2 75 74 MET . 19410 2 76 75 LYS . 19410 2 77 76 ALA . 19410 2 78 77 GLY . 19410 2 79 78 SER . 19410 2 80 79 ASP . 19410 2 81 80 ARG . 19410 2 82 81 THR . 19410 2 83 82 LYS . 19410 2 84 83 LEU . 19410 2 85 84 GLU . 19410 2 86 85 LYS . 19410 2 87 86 ASP . 19410 2 88 87 VAL . 19410 2 89 88 MET . 19410 2 90 89 ALA . 19410 2 91 90 GLN . 19410 2 92 91 ARG . 19410 2 93 92 GLN . 19410 2 94 93 THR . 19410 2 95 94 PHE . 19410 2 96 95 ALA . 19410 2 97 96 GLN . 19410 2 98 97 LYS . 19410 2 99 98 ALA . 19410 2 100 99 GLN . 19410 2 101 100 ALA . 19410 2 102 101 PHE . 19410 2 103 102 GLU . 19410 2 104 103 GLN . 19410 2 105 104 ASP . 19410 2 106 105 ARG . 19410 2 107 106 ALA . 19410 2 108 107 ARG . 19410 2 109 108 ARG . 19410 2 110 109 SER . 19410 2 111 110 ASN . 19410 2 112 111 GLU . 19410 2 113 112 GLU . 19410 2 114 113 ARG . 19410 2 115 114 GLY . 19410 2 116 115 LYS . 19410 2 117 116 LEU . 19410 2 118 117 VAL . 19410 2 119 118 THR . 19410 2 120 119 ARG . 19410 2 121 120 ILE . 19410 2 122 121 GLN . 19410 2 123 122 THR . 19410 2 124 123 ALA . 19410 2 125 124 VAL . 19410 2 126 125 LYS . 19410 2 127 126 SER . 19410 2 128 127 VAL . 19410 2 129 128 ALA . 19410 2 130 129 ASN . 19410 2 131 130 SER . 19410 2 132 131 GLN . 19410 2 133 132 ASP . 19410 2 134 133 ILE . 19410 2 135 134 ASP . 19410 2 136 135 LEU . 19410 2 137 136 VAL . 19410 2 138 137 VAL . 19410 2 139 138 ASP . 19410 2 140 139 ALA . 19410 2 141 140 ASN . 19410 2 142 141 ALA . 19410 2 143 142 VAL . 19410 2 144 143 ALA . 19410 2 145 144 TYR . 19410 2 146 145 ASN . 19410 2 147 146 SER . 19410 2 148 147 SER . 19410 2 149 148 ASP . 19410 2 150 149 VAL . 19410 2 151 150 LYS . 19410 2 152 151 ASP . 19410 2 153 152 ILE . 19410 2 154 153 THR . 19410 2 155 154 ALA . 19410 2 156 155 ASP . 19410 2 157 156 VAL . 19410 2 158 157 LEU . 19410 2 159 158 LYS . 19410 2 160 159 GLN . 19410 2 161 160 VAL . 19410 2 162 161 LYS . 19410 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19410 2 . GLY 2 2 19410 2 . SER 3 3 19410 2 . SER 4 4 19410 2 . HIS 5 5 19410 2 . HIS 6 6 19410 2 . HIS 7 7 19410 2 . HIS 8 8 19410 2 . HIS 9 9 19410 2 . HIS 10 10 19410 2 . SER 11 11 19410 2 . SER 12 12 19410 2 . GLY 13 13 19410 2 . LEU 14 14 19410 2 . VAL 15 15 19410 2 . PRO 16 16 19410 2 . ARG 17 17 19410 2 . GLY 18 18 19410 2 . SER 19 19 19410 2 . HIS 20 20 19410 2 . MET 21 21 19410 2 . ALA 22 22 19410 2 . ASP 23 23 19410 2 . LYS 24 24 19410 2 . ILE 25 25 19410 2 . ALA 26 26 19410 2 . ILE 27 27 19410 2 . VAL 28 28 19410 2 . ASN 29 29 19410 2 . MET 30 30 19410 2 . GLY 31 31 19410 2 . SER 32 32 19410 2 . LEU 33 33 19410 2 . PHE 34 34 19410 2 . GLN 35 35 19410 2 . GLN 36 36 19410 2 . VAL 37 37 19410 2 . ALA 38 38 19410 2 . GLN 39 39 19410 2 . LYS 40 40 19410 2 . THR 41 41 19410 2 . GLY 42 42 19410 2 . VAL 43 43 19410 2 . SER 44 44 19410 2 . ASN 45 45 19410 2 . THR 46 46 19410 2 . LEU 47 47 19410 2 . GLU 48 48 19410 2 . ASN 49 49 19410 2 . GLU 50 50 19410 2 . PHE 51 51 19410 2 . LYS 52 52 19410 2 . GLY 53 53 19410 2 . ARG 54 54 19410 2 . ALA 55 55 19410 2 . SER 56 56 19410 2 . GLU 57 57 19410 2 . LEU 58 58 19410 2 . GLN 59 59 19410 2 . ARG 60 60 19410 2 . MET 61 61 19410 2 . GLU 62 62 19410 2 . THR 63 63 19410 2 . ASP 64 64 19410 2 . LEU 65 65 19410 2 . GLN 66 66 19410 2 . ALA 67 67 19410 2 . LYS 68 68 19410 2 . MET 69 69 19410 2 . LYS 70 70 19410 2 . LYS 71 71 19410 2 . LEU 72 72 19410 2 . GLN 73 73 19410 2 . SER 74 74 19410 2 . MET 75 75 19410 2 . LYS 76 76 19410 2 . ALA 77 77 19410 2 . GLY 78 78 19410 2 . SER 79 79 19410 2 . ASP 80 80 19410 2 . ARG 81 81 19410 2 . THR 82 82 19410 2 . LYS 83 83 19410 2 . LEU 84 84 19410 2 . GLU 85 85 19410 2 . LYS 86 86 19410 2 . ASP 87 87 19410 2 . VAL 88 88 19410 2 . MET 89 89 19410 2 . ALA 90 90 19410 2 . GLN 91 91 19410 2 . ARG 92 92 19410 2 . GLN 93 93 19410 2 . THR 94 94 19410 2 . PHE 95 95 19410 2 . ALA 96 96 19410 2 . GLN 97 97 19410 2 . LYS 98 98 19410 2 . ALA 99 99 19410 2 . GLN 100 100 19410 2 . ALA 101 101 19410 2 . PHE 102 102 19410 2 . GLU 103 103 19410 2 . GLN 104 104 19410 2 . ASP 105 105 19410 2 . ARG 106 106 19410 2 . ALA 107 107 19410 2 . ARG 108 108 19410 2 . ARG 109 109 19410 2 . SER 110 110 19410 2 . ASN 111 111 19410 2 . GLU 112 112 19410 2 . GLU 113 113 19410 2 . ARG 114 114 19410 2 . GLY 115 115 19410 2 . LYS 116 116 19410 2 . LEU 117 117 19410 2 . VAL 118 118 19410 2 . THR 119 119 19410 2 . ARG 120 120 19410 2 . ILE 121 121 19410 2 . GLN 122 122 19410 2 . THR 123 123 19410 2 . ALA 124 124 19410 2 . VAL 125 125 19410 2 . LYS 126 126 19410 2 . SER 127 127 19410 2 . VAL 128 128 19410 2 . ALA 129 129 19410 2 . ASN 130 130 19410 2 . SER 131 131 19410 2 . GLN 132 132 19410 2 . ASP 133 133 19410 2 . ILE 134 134 19410 2 . ASP 135 135 19410 2 . LEU 136 136 19410 2 . VAL 137 137 19410 2 . VAL 138 138 19410 2 . ASP 139 139 19410 2 . ALA 140 140 19410 2 . ASN 141 141 19410 2 . ALA 142 142 19410 2 . VAL 143 143 19410 2 . ALA 144 144 19410 2 . TYR 145 145 19410 2 . ASN 146 146 19410 2 . SER 147 147 19410 2 . SER 148 148 19410 2 . ASP 149 149 19410 2 . VAL 150 150 19410 2 . LYS 151 151 19410 2 . ASP 152 152 19410 2 . ILE 153 153 19410 2 . THR 154 154 19410 2 . ALA 155 155 19410 2 . ASP 156 156 19410 2 . VAL 157 157 19410 2 . LEU 158 158 19410 2 . LYS 159 159 19410 2 . GLN 160 160 19410 2 . VAL 161 161 19410 2 . LYS 162 162 19410 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19410 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Escherichia_Coli_tOmpA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . 19410 1 2 2 $Escherichia_Coli_Skp . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . 19410 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 19410 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Escherichia_Coli_tOmpA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET28B-tOmpA . . . 19410 1 2 2 $Escherichia_Coli_Skp . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET28B-Skp . . . 19410 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19410 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein samples were produced as a 3:1 ratio (Skp monomer per tOmpA)' _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 'Escherichia Coli tOmpA' '[U-13C; U-15N; U-2H]' . . 1 $Escherichia_Coli_tOmpA . . . 0.6 1.05 mM . . . . 19410 1 2 'Escherichia Coli Skp (trimer)' '[U-99% 2H]' . . 2 $Escherichia_Coli_Skp . . . 0.6 1.05 mM . . . . 19410 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19410 1 4 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19410 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19410 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 19410 _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' 0.150 . M 19410 1 pH 6.5 . pH 19410 1 pressure 1 . atm 19410 1 temperature 310 . K 19410 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19410 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19410 1 'Bruker Biospin' . . 19410 1 Guntert . . 19410 1 'Keller and Wuthrich' . . 19410 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19410 1 collection 19410 1 'data analysis' 19410 1 processing 19410 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19410 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AscendII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19410 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19410 _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 AscendII . 700 . . . 19410 1 2 spectrometer_2 Bruker Avance . 800 . . . 19410 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 19410 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19410 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19410 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19410 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19410 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19410 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 19410 _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 . . . . . . . . . 19410 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19410 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19410 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 19410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 19410 1 2 '3D HNCA' . . . 19410 1 3 '3D HNCO' . . . 19410 1 4 '3D HNCACB' . . . 19410 1 5 '3D HN(CA)CO' . . . 19410 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 MET H H 1 8.45 0.02 . 1 . . . . 1 MET H . 19410 1 2 . 1 1 1 1 MET C C 13 175.4 0.3 . 1 . . . . 1 MET C . 19410 1 3 . 1 1 1 1 MET CA C 13 57.1 0.3 . 1 . . . . 1 MET CA . 19410 1 4 . 1 1 1 1 MET N N 15 119.9 0.3 . 1 . . . . 1 MET N . 19410 1 5 . 1 1 2 2 ALA H H 1 8.05 0.02 . 1 . . . . 2 ALA H . 19410 1 6 . 1 1 2 2 ALA C C 13 177.6 0.3 . 1 . . . . 2 ALA C . 19410 1 7 . 1 1 2 2 ALA CA C 13 51.7 0.3 . 1 . . . . 2 ALA CA . 19410 1 8 . 1 1 2 2 ALA CB C 13 18.4 0.3 . 1 . . . . 2 ALA CB . 19410 1 9 . 1 1 2 2 ALA N N 15 125.4 0.3 . 1 . . . . 2 ALA N . 19410 1 10 . 1 1 4 4 LYS H H 1 8.30 0.02 . 1 . . . . 4 LYS H . 19410 1 11 . 1 1 4 4 LYS C C 13 175.2 0.3 . 1 . . . . 4 LYS C . 19410 1 12 . 1 1 4 4 LYS CA C 13 56.0 0.3 . 1 . . . . 4 LYS CA . 19410 1 13 . 1 1 4 4 LYS CB C 13 29.7 0.3 . 1 . . . . 4 LYS CB . 19410 1 14 . 1 1 4 4 LYS N N 15 124.0 0.3 . 1 . . . . 4 LYS N . 19410 1 15 . 1 1 5 5 ASP H H 1 8.24 0.02 . 1 . . . . 5 ASP H . 19410 1 16 . 1 1 5 5 ASP C C 13 176.2 0.3 . 1 . . . . 5 ASP C . 19410 1 17 . 1 1 5 5 ASP CA C 13 54.1 0.3 . 1 . . . . 5 ASP CA . 19410 1 18 . 1 1 5 5 ASP CB C 13 40.6 0.3 . 1 . . . . 5 ASP CB . 19410 1 19 . 1 1 5 5 ASP N N 15 120.9 0.3 . 1 . . . . 5 ASP N . 19410 1 20 . 1 1 6 6 ASN H H 1 8.14 0.02 . 1 . . . . 6 ASN H . 19410 1 21 . 1 1 6 6 ASN C C 13 175.4 0.3 . 1 . . . . 6 ASN C . 19410 1 22 . 1 1 6 6 ASN CA C 13 53.8 0.3 . 1 . . . . 6 ASN CA . 19410 1 23 . 1 1 6 6 ASN CB C 13 38.0 0.3 . 1 . . . . 6 ASN CB . 19410 1 24 . 1 1 6 6 ASN N N 15 121.0 0.3 . 1 . . . . 6 ASN N . 19410 1 25 . 1 1 7 7 THR H H 1 7.94 0.02 . 1 . . . . 7 THR H . 19410 1 26 . 1 1 7 7 THR CA C 13 61.6 0.3 . 1 . . . . 7 THR CA . 19410 1 27 . 1 1 7 7 THR CB C 13 69.2 0.3 . 1 . . . . 7 THR CB . 19410 1 28 . 1 1 7 7 THR N N 15 115.1 0.3 . 1 . . . . 7 THR N . 19410 1 29 . 1 1 8 8 TRP H H 1 8.44 0.02 . 1 . . . . 8 TRP H . 19410 1 30 . 1 1 8 8 TRP CA C 13 56.1 0.3 . 1 . . . . 8 TRP CA . 19410 1 31 . 1 1 8 8 TRP CB C 13 29.3 0.3 . 1 . . . . 8 TRP CB . 19410 1 32 . 1 1 8 8 TRP N N 15 123.8 0.3 . 1 . . . . 8 TRP N . 19410 1 33 . 1 1 9 9 TYR H H 1 7.93 0.02 . 1 . . . . 9 TYR H . 19410 1 34 . 1 1 9 9 TYR CA C 13 57.2 0.3 . 1 . . . . 9 TYR CA . 19410 1 35 . 1 1 9 9 TYR CB C 13 37.9 0.3 . 1 . . . . 9 TYR CB . 19410 1 36 . 1 1 9 9 TYR N N 15 120.8 0.3 . 1 . . . . 9 TYR N . 19410 1 37 . 1 1 10 10 THR H H 1 7.81 0.02 . 1 . . . . 10 THR H . 19410 1 38 . 1 1 10 10 THR C C 13 174.9 0.3 . 1 . . . . 10 THR C . 19410 1 39 . 1 1 10 10 THR CA C 13 61.5 0.3 . 1 . . . . 10 THR CA . 19410 1 40 . 1 1 10 10 THR CB C 13 69.6 0.3 . 1 . . . . 10 THR CB . 19410 1 41 . 1 1 10 10 THR N N 15 115.2 0.3 . 1 . . . . 10 THR N . 19410 1 42 . 1 1 11 11 GLY H H 1 7.60 0.02 . 1 . . . . 11 GLY H . 19410 1 43 . 1 1 11 11 GLY C C 13 173.7 0.3 . 1 . . . . 11 GLY C . 19410 1 44 . 1 1 11 11 GLY CA C 13 44.9 0.3 . 1 . . . . 11 GLY CA . 19410 1 45 . 1 1 11 11 GLY N N 15 110.3 0.3 . 1 . . . . 11 GLY N . 19410 1 46 . 1 1 12 12 ALA H H 1 7.92 0.02 . 1 . . . . 12 ALA H . 19410 1 47 . 1 1 12 12 ALA C C 13 177.6 0.3 . 1 . . . . 12 ALA C . 19410 1 48 . 1 1 12 12 ALA CA C 13 52.1 0.3 . 1 . . . . 12 ALA CA . 19410 1 49 . 1 1 12 12 ALA CB C 13 18.5 0.3 . 1 . . . . 12 ALA CB . 19410 1 50 . 1 1 12 12 ALA N N 15 123.6 0.3 . 1 . . . . 12 ALA N . 19410 1 51 . 1 1 13 13 LYS H H 1 8.08 0.02 . 1 . . . . 13 LYS H . 19410 1 52 . 1 1 13 13 LYS C C 13 176.2 0.3 . 1 . . . . 13 LYS C . 19410 1 53 . 1 1 13 13 LYS CA C 13 55.3 0.3 . 1 . . . . 13 LYS CA . 19410 1 54 . 1 1 13 13 LYS CB C 13 31.5 0.3 . 1 . . . . 13 LYS CB . 19410 1 55 . 1 1 13 13 LYS N N 15 120.3 0.3 . 1 . . . . 13 LYS N . 19410 1 56 . 1 1 14 14 LEU H H 1 8.15 0.02 . 1 . . . . 14 LEU H . 19410 1 57 . 1 1 14 14 LEU CA C 13 54.9 0.3 . 1 . . . . 14 LEU CA . 19410 1 58 . 1 1 14 14 LEU CB C 13 40.9 0.3 . 1 . . . . 14 LEU CB . 19410 1 59 . 1 1 14 14 LEU N N 15 122.1 0.3 . 1 . . . . 14 LEU N . 19410 1 60 . 1 1 15 15 GLY H H 1 8.20 0.02 . 1 . . . . 15 GLY H . 19410 1 61 . 1 1 15 15 GLY CA C 13 44.7 0.3 . 1 . . . . 15 GLY CA . 19410 1 62 . 1 1 15 15 GLY N N 15 108.8 0.3 . 1 . . . . 15 GLY N . 19410 1 63 . 1 1 18 18 GLN H H 1 8.03 0.02 . 1 . . . . 18 GLN H . 19410 1 64 . 1 1 18 18 GLN C C 13 179.0 0.3 . 1 . . . . 18 GLN C . 19410 1 65 . 1 1 18 18 GLN CA C 13 55.6 0.3 . 1 . . . . 18 GLN CA . 19410 1 66 . 1 1 18 18 GLN CB C 13 29.3 0.3 . 1 . . . . 18 GLN CB . 19410 1 67 . 1 1 18 18 GLN N N 15 121.3 0.3 . 1 . . . . 18 GLN N . 19410 1 68 . 1 1 19 19 TYR H H 1 8.12 0.02 . 1 . . . . 19 TYR H . 19410 1 69 . 1 1 19 19 TYR CA C 13 56.7 0.3 . 1 . . . . 19 TYR CA . 19410 1 70 . 1 1 19 19 TYR CB C 13 38.3 0.3 . 1 . . . . 19 TYR CB . 19410 1 71 . 1 1 19 19 TYR N N 15 122.8 0.3 . 1 . . . . 19 TYR N . 19410 1 72 . 1 1 20 20 HIS H H 1 8.18 0.02 . 1 . . . . 20 HIS H . 19410 1 73 . 1 1 20 20 HIS C C 13 177.9 0.3 . 1 . . . . 20 HIS C . 19410 1 74 . 1 1 20 20 HIS CA C 13 55.6 0.3 . 1 . . . . 20 HIS CA . 19410 1 75 . 1 1 20 20 HIS CB C 13 28.5 0.3 . 1 . . . . 20 HIS CB . 19410 1 76 . 1 1 20 20 HIS N N 15 122.5 0.3 . 1 . . . . 20 HIS N . 19410 1 77 . 1 1 21 21 ASP H H 1 8.23 0.02 . 1 . . . . 21 ASP H . 19410 1 78 . 1 1 21 21 ASP C C 13 175.9 0.3 . 1 . . . . 21 ASP C . 19410 1 79 . 1 1 21 21 ASP CA C 13 54.1 0.3 . 1 . . . . 21 ASP CA . 19410 1 80 . 1 1 21 21 ASP CB C 13 40.6 0.3 . 1 . . . . 21 ASP CB . 19410 1 81 . 1 1 21 21 ASP N N 15 120.6 0.3 . 1 . . . . 21 ASP N . 19410 1 82 . 1 1 22 22 THR H H 1 8.07 0.02 . 1 . . . . 22 THR H . 19410 1 83 . 1 1 22 22 THR C C 13 175.3 0.3 . 1 . . . . 22 THR C . 19410 1 84 . 1 1 22 22 THR CA C 13 61.7 0.3 . 1 . . . . 22 THR CA . 19410 1 85 . 1 1 22 22 THR CB C 13 69.4 0.3 . 1 . . . . 22 THR CB . 19410 1 86 . 1 1 22 22 THR N N 15 114.0 0.3 . 1 . . . . 22 THR N . 19410 1 87 . 1 1 23 23 GLY H H 1 8.38 0.02 . 1 . . . . 23 GLY H . 19410 1 88 . 1 1 23 23 GLY C C 13 173.9 0.3 . 1 . . . . 23 GLY C . 19410 1 89 . 1 1 23 23 GLY CA C 13 45.0 0.3 . 1 . . . . 23 GLY CA . 19410 1 90 . 1 1 23 23 GLY N N 15 111.3 0.3 . 1 . . . . 23 GLY N . 19410 1 91 . 1 1 24 24 PHE H H 1 8.03 0.02 . 1 . . . . 24 PHE H . 19410 1 92 . 1 1 24 24 PHE CA C 13 57.6 0.3 . 1 . . . . 24 PHE CA . 19410 1 93 . 1 1 24 24 PHE CB C 13 38.6 0.3 . 1 . . . . 24 PHE CB . 19410 1 94 . 1 1 24 24 PHE N N 15 119.8 0.3 . 1 . . . . 24 PHE N . 19410 1 95 . 1 1 25 25 ILE H H 1 7.89 0.02 . 1 . . . . 25 ILE H . 19410 1 96 . 1 1 25 25 ILE C C 13 175.4 0.3 . 1 . . . . 25 ILE C . 19410 1 97 . 1 1 25 25 ILE CA C 13 60.6 0.3 . 1 . . . . 25 ILE CA . 19410 1 98 . 1 1 25 25 ILE CB C 13 37.6 0.3 . 1 . . . . 25 ILE CB . 19410 1 99 . 1 1 25 25 ILE N N 15 121.4 0.3 . 1 . . . . 25 ILE N . 19410 1 100 . 1 1 26 26 ASN H H 1 8.25 0.02 . 1 . . . . 26 ASN H . 19410 1 101 . 1 1 26 26 ASN C C 13 174.8 0.3 . 1 . . . . 26 ASN C . 19410 1 102 . 1 1 26 26 ASN CA C 13 52.8 0.3 . 1 . . . . 26 ASN CA . 19410 1 103 . 1 1 26 26 ASN CB C 13 38.4 0.3 . 1 . . . . 26 ASN CB . 19410 1 104 . 1 1 26 26 ASN N N 15 122.1 0.3 . 1 . . . . 26 ASN N . 19410 1 105 . 1 1 27 27 ASN H H 1 8.30 0.02 . 1 . . . . 27 ASN H . 19410 1 106 . 1 1 27 27 ASN C C 13 175.9 0.3 . 1 . . . . 27 ASN C . 19410 1 107 . 1 1 27 27 ASN CA C 13 53.1 0.3 . 1 . . . . 27 ASN CA . 19410 1 108 . 1 1 27 27 ASN CB C 13 38.1 0.3 . 1 . . . . 27 ASN CB . 19410 1 109 . 1 1 27 27 ASN N N 15 119.6 0.3 . 1 . . . . 27 ASN N . 19410 1 110 . 1 1 28 28 ASN H H 1 8.32 0.02 . 1 . . . . 28 ASN H . 19410 1 111 . 1 1 28 28 ASN C C 13 175.1 0.3 . 1 . . . . 28 ASN C . 19410 1 112 . 1 1 28 28 ASN CA C 13 52.9 0.3 . 1 . . . . 28 ASN CA . 19410 1 113 . 1 1 28 28 ASN CB C 13 38.4 0.3 . 1 . . . . 28 ASN CB . 19410 1 114 . 1 1 28 28 ASN N N 15 119.2 0.3 . 1 . . . . 28 ASN N . 19410 1 115 . 1 1 29 29 GLY H H 1 8.05 0.02 . 1 . . . . 29 GLY H . 19410 1 116 . 1 1 29 29 GLY C C 13 171.8 0.3 . 1 . . . . 29 GLY C . 19410 1 117 . 1 1 29 29 GLY CA C 13 44.2 0.3 . 1 . . . . 29 GLY CA . 19410 1 118 . 1 1 29 29 GLY N N 15 109.1 0.3 . 1 . . . . 29 GLY N . 19410 1 119 . 1 1 31 31 THR H H 1 8.14 0.02 . 1 . . . . 31 THR H . 19410 1 120 . 1 1 31 31 THR C C 13 174.6 0.3 . 1 . . . . 31 THR C . 19410 1 121 . 1 1 31 31 THR CA C 13 61.5 0.3 . 1 . . . . 31 THR CA . 19410 1 122 . 1 1 31 31 THR CB C 13 69.2 0.3 . 1 . . . . 31 THR CB . 19410 1 123 . 1 1 31 31 THR N N 15 113.9 0.3 . 1 . . . . 31 THR N . 19410 1 124 . 1 1 32 32 HIS H H 1 8.25 0.02 . 1 . . . . 32 HIS H . 19410 1 125 . 1 1 32 32 HIS C C 13 177.8 0.3 . 1 . . . . 32 HIS C . 19410 1 126 . 1 1 32 32 HIS CA C 13 55.7 0.3 . 1 . . . . 32 HIS CA . 19410 1 127 . 1 1 32 32 HIS CB C 13 29.5 0.3 . 1 . . . . 32 HIS CB . 19410 1 128 . 1 1 32 32 HIS N N 15 124.3 0.3 . 1 . . . . 32 HIS N . 19410 1 129 . 1 1 33 33 GLU H H 1 7.96 0.02 . 1 . . . . 33 GLU H . 19410 1 130 . 1 1 33 33 GLU C C 13 178.6 0.3 . 1 . . . . 33 GLU C . 19410 1 131 . 1 1 33 33 GLU CA C 13 56.9 0.3 . 1 . . . . 33 GLU CA . 19410 1 132 . 1 1 33 33 GLU CB C 13 28.8 0.3 . 1 . . . . 33 GLU CB . 19410 1 133 . 1 1 33 33 GLU N N 15 122.2 0.3 . 1 . . . . 33 GLU N . 19410 1 134 . 1 1 34 34 ASN H H 1 8.30 0.02 . 1 . . . . 34 ASN H . 19410 1 135 . 1 1 34 34 ASN C C 13 176.2 0.3 . 1 . . . . 34 ASN C . 19410 1 136 . 1 1 34 34 ASN CA C 13 53.0 0.3 . 1 . . . . 34 ASN CA . 19410 1 137 . 1 1 34 34 ASN CB C 13 38.3 0.3 . 1 . . . . 34 ASN CB . 19410 1 138 . 1 1 34 34 ASN N N 15 119.8 0.3 . 1 . . . . 34 ASN N . 19410 1 139 . 1 1 35 35 GLN H H 1 7.98 0.02 . 1 . . . . 35 GLN H . 19410 1 140 . 1 1 35 35 GLN C C 13 176.2 0.3 . 1 . . . . 35 GLN C . 19410 1 141 . 1 1 35 35 GLN CA C 13 55.3 0.3 . 1 . . . . 35 GLN CA . 19410 1 142 . 1 1 35 35 GLN CB C 13 28.6 0.3 . 1 . . . . 35 GLN CB . 19410 1 143 . 1 1 35 35 GLN N N 15 122.3 0.3 . 1 . . . . 35 GLN N . 19410 1 144 . 1 1 36 36 LEU H H 1 8.10 0.02 . 1 . . . . 36 LEU H . 19410 1 145 . 1 1 36 36 LEU C C 13 174.0 0.3 . 1 . . . . 36 LEU C . 19410 1 146 . 1 1 36 36 LEU CA C 13 54.9 0.3 . 1 . . . . 36 LEU CA . 19410 1 147 . 1 1 36 36 LEU CB C 13 41.5 0.3 . 1 . . . . 36 LEU CB . 19410 1 148 . 1 1 36 36 LEU N N 15 123.9 0.3 . 1 . . . . 36 LEU N . 19410 1 149 . 1 1 37 37 GLY H H 1 8.25 0.02 . 1 . . . . 37 GLY H . 19410 1 150 . 1 1 37 37 GLY C C 13 174.1 0.3 . 1 . . . . 37 GLY C . 19410 1 151 . 1 1 37 37 GLY CA C 13 45.0 0.3 . 1 . . . . 37 GLY CA . 19410 1 152 . 1 1 37 37 GLY N N 15 109.0 0.3 . 1 . . . . 37 GLY N . 19410 1 153 . 1 1 38 38 ALA H H 1 8.08 0.02 . 1 . . . . 38 ALA H . 19410 1 154 . 1 1 38 38 ALA C C 13 178.3 0.3 . 1 . . . . 38 ALA C . 19410 1 155 . 1 1 38 38 ALA CA C 13 52.3 0.3 . 1 . . . . 38 ALA CA . 19410 1 156 . 1 1 38 38 ALA CB C 13 18.5 0.3 . 1 . . . . 38 ALA CB . 19410 1 157 . 1 1 38 38 ALA N N 15 123.8 0.3 . 1 . . . . 38 ALA N . 19410 1 158 . 1 1 39 39 GLY H H 1 8.28 0.02 . 1 . . . . 39 GLY H . 19410 1 159 . 1 1 39 39 GLY C C 13 174.1 0.3 . 1 . . . . 39 GLY C . 19410 1 160 . 1 1 39 39 GLY CA C 13 45.0 0.3 . 1 . . . . 39 GLY CA . 19410 1 161 . 1 1 39 39 GLY N N 15 108.0 0.3 . 1 . . . . 39 GLY N . 19410 1 162 . 1 1 40 40 ALA H H 1 7.96 0.02 . 1 . . . . 40 ALA H . 19410 1 163 . 1 1 40 40 ALA C C 13 177.6 0.3 . 1 . . . . 40 ALA C . 19410 1 164 . 1 1 40 40 ALA CA C 13 52.2 0.3 . 1 . . . . 40 ALA CA . 19410 1 165 . 1 1 40 40 ALA CB C 13 18.4 0.3 . 1 . . . . 40 ALA CB . 19410 1 166 . 1 1 40 40 ALA N N 15 123.7 0.3 . 1 . . . . 40 ALA N . 19410 1 167 . 1 1 41 41 PHE H H 1 8.14 0.02 . 1 . . . . 41 PHE H . 19410 1 168 . 1 1 41 41 PHE C C 13 176.2 0.3 . 1 . . . . 41 PHE C . 19410 1 169 . 1 1 41 41 PHE CA C 13 57.4 0.3 . 1 . . . . 41 PHE CA . 19410 1 170 . 1 1 41 41 PHE CB C 13 38.3 0.3 . 1 . . . . 41 PHE CB . 19410 1 171 . 1 1 41 41 PHE N N 15 118.4 0.3 . 1 . . . . 41 PHE N . 19410 1 172 . 1 1 42 42 GLY H H 1 8.10 0.02 . 1 . . . . 42 GLY H . 19410 1 173 . 1 1 42 42 GLY C C 13 174.3 0.3 . 1 . . . . 42 GLY C . 19410 1 174 . 1 1 42 42 GLY CA C 13 45.0 0.3 . 1 . . . . 42 GLY CA . 19410 1 175 . 1 1 42 42 GLY N N 15 110.1 0.3 . 1 . . . . 42 GLY N . 19410 1 176 . 1 1 43 43 GLY H H 1 7.81 0.02 . 1 . . . . 43 GLY H . 19410 1 177 . 1 1 43 43 GLY C C 13 173.7 0.3 . 1 . . . . 43 GLY C . 19410 1 178 . 1 1 43 43 GLY CA C 13 44.8 0.3 . 1 . . . . 43 GLY CA . 19410 1 179 . 1 1 43 43 GLY N N 15 108.3 0.3 . 1 . . . . 43 GLY N . 19410 1 180 . 1 1 44 44 TYR H H 1 7.98 0.02 . 1 . . . . 44 TYR H . 19410 1 181 . 1 1 44 44 TYR C C 13 175.5 0.3 . 1 . . . . 44 TYR C . 19410 1 182 . 1 1 44 44 TYR CA C 13 57.4 0.3 . 1 . . . . 44 TYR CA . 19410 1 183 . 1 1 44 44 TYR CB C 13 37.8 0.3 . 1 . . . . 44 TYR CB . 19410 1 184 . 1 1 44 44 TYR N N 15 120.1 0.3 . 1 . . . . 44 TYR N . 19410 1 185 . 1 1 45 45 GLN H H 1 7.96 0.02 . 1 . . . . 45 GLN H . 19410 1 186 . 1 1 45 45 GLN C C 13 177.4 0.3 . 1 . . . . 45 GLN C . 19410 1 187 . 1 1 45 45 GLN CA C 13 55.5 0.3 . 1 . . . . 45 GLN CA . 19410 1 188 . 1 1 45 45 GLN CB C 13 28.7 0.3 . 1 . . . . 45 GLN CB . 19410 1 189 . 1 1 45 45 GLN N N 15 122.7 0.3 . 1 . . . . 45 GLN N . 19410 1 190 . 1 1 46 46 VAL H H 1 7.90 0.02 . 1 . . . . 46 VAL H . 19410 1 191 . 1 1 46 46 VAL CA C 13 61.7 0.3 . 1 . . . . 46 VAL CA . 19410 1 192 . 1 1 46 46 VAL CB C 13 31.7 0.3 . 1 . . . . 46 VAL CB . 19410 1 193 . 1 1 46 46 VAL N N 15 119.8 0.3 . 1 . . . . 46 VAL N . 19410 1 194 . 1 1 47 47 ASN H H 1 8.30 0.02 . 1 . . . . 47 ASN H . 19410 1 195 . 1 1 47 47 ASN CA C 13 51.0 0.3 . 1 . . . . 47 ASN CA . 19410 1 196 . 1 1 47 47 ASN CB C 13 38.5 0.3 . 1 . . . . 47 ASN CB . 19410 1 197 . 1 1 47 47 ASN N N 15 123.1 0.3 . 1 . . . . 47 ASN N . 19410 1 198 . 1 1 49 49 TYR H H 1 8.35 0.02 . 1 . . . . 49 TYR H . 19410 1 199 . 1 1 49 49 TYR CA C 13 61.4 0.3 . 1 . . . . 49 TYR CA . 19410 1 200 . 1 1 49 49 TYR CB C 13 36.8 0.3 . 1 . . . . 49 TYR CB . 19410 1 201 . 1 1 49 49 TYR N N 15 122.6 0.3 . 1 . . . . 49 TYR N . 19410 1 202 . 1 1 50 50 VAL H H 1 8.00 0.02 . 1 . . . . 50 VAL H . 19410 1 203 . 1 1 50 50 VAL CA C 13 61.1 0.3 . 1 . . . . 50 VAL CA . 19410 1 204 . 1 1 50 50 VAL CB C 13 31.4 0.3 . 1 . . . . 50 VAL CB . 19410 1 205 . 1 1 50 50 VAL N N 15 121.1 0.3 . 1 . . . . 50 VAL N . 19410 1 206 . 1 1 51 51 GLY H H 1 8.28 0.02 . 1 . . . . 51 GLY H . 19410 1 207 . 1 1 51 51 GLY C C 13 176.7 0.3 . 1 . . . . 51 GLY C . 19410 1 208 . 1 1 51 51 GLY CA C 13 44.8 0.3 . 1 . . . . 51 GLY CA . 19410 1 209 . 1 1 51 51 GLY N N 15 112.2 0.3 . 1 . . . . 51 GLY N . 19410 1 210 . 1 1 52 52 PHE H H 1 7.90 0.02 . 1 . . . . 52 PHE H . 19410 1 211 . 1 1 52 52 PHE CA C 13 57.5 0.3 . 1 . . . . 52 PHE CA . 19410 1 212 . 1 1 52 52 PHE CB C 13 38.3 0.3 . 1 . . . . 52 PHE CB . 19410 1 213 . 1 1 52 52 PHE N N 15 120.0 0.3 . 1 . . . . 52 PHE N . 19410 1 214 . 1 1 53 53 GLU H H 1 7.96 0.02 . 1 . . . . 53 GLU H . 19410 1 215 . 1 1 53 53 GLU C C 13 175.8 0.3 . 1 . . . . 53 GLU C . 19410 1 216 . 1 1 53 53 GLU CA C 13 57.5 0.3 . 1 . . . . 53 GLU CA . 19410 1 217 . 1 1 53 53 GLU CB C 13 28.5 0.3 . 1 . . . . 53 GLU CB . 19410 1 218 . 1 1 53 53 GLU N N 15 122.5 0.3 . 1 . . . . 53 GLU N . 19410 1 219 . 1 1 54 54 MET H H 1 8.39 0.02 . 1 . . . . 54 MET H . 19410 1 220 . 1 1 54 54 MET C C 13 175.9 0.3 . 1 . . . . 54 MET C . 19410 1 221 . 1 1 54 54 MET CA C 13 56.3 0.3 . 1 . . . . 54 MET CA . 19410 1 222 . 1 1 54 54 MET CB C 13 32.6 0.3 . 1 . . . . 54 MET CB . 19410 1 223 . 1 1 54 54 MET N N 15 122.3 0.3 . 1 . . . . 54 MET N . 19410 1 224 . 1 1 55 55 GLY H H 1 7.96 0.02 . 1 . . . . 55 GLY H . 19410 1 225 . 1 1 55 55 GLY C C 13 173.7 0.3 . 1 . . . . 55 GLY C . 19410 1 226 . 1 1 55 55 GLY CA C 13 44.9 0.3 . 1 . . . . 55 GLY CA . 19410 1 227 . 1 1 55 55 GLY N N 15 111.0 0.3 . 1 . . . . 55 GLY N . 19410 1 228 . 1 1 56 56 TYR H H 1 7.80 0.02 . 1 . . . . 56 TYR H . 19410 1 229 . 1 1 56 56 TYR C C 13 173.9 0.3 . 1 . . . . 56 TYR C . 19410 1 230 . 1 1 56 56 TYR CA C 13 55.8 0.3 . 1 . . . . 56 TYR CA . 19410 1 231 . 1 1 56 56 TYR CB C 13 37.5 0.3 . 1 . . . . 56 TYR CB . 19410 1 232 . 1 1 56 56 TYR N N 15 120.9 0.3 . 1 . . . . 56 TYR N . 19410 1 233 . 1 1 57 57 ASP H H 1 8.21 0.02 . 1 . . . . 57 ASP H . 19410 1 234 . 1 1 57 57 ASP CA C 13 54.3 0.3 . 1 . . . . 57 ASP CA . 19410 1 235 . 1 1 57 57 ASP CB C 13 40.5 0.3 . 1 . . . . 57 ASP CB . 19410 1 236 . 1 1 57 57 ASP N N 15 120.3 0.3 . 1 . . . . 57 ASP N . 19410 1 237 . 1 1 58 58 TRP H H 1 8.32 0.02 . 1 . . . . 58 TRP H . 19410 1 238 . 1 1 58 58 TRP C C 13 174.4 0.3 . 1 . . . . 58 TRP C . 19410 1 239 . 1 1 58 58 TRP CA C 13 55.9 0.3 . 1 . . . . 58 TRP CA . 19410 1 240 . 1 1 58 58 TRP CB C 13 29.5 0.3 . 1 . . . . 58 TRP CB . 19410 1 241 . 1 1 58 58 TRP N N 15 124.8 0.3 . 1 . . . . 58 TRP N . 19410 1 242 . 1 1 59 59 LEU H H 1 8.28 0.02 . 1 . . . . 59 LEU H . 19410 1 243 . 1 1 59 59 LEU CA C 13 55.3 0.3 . 1 . . . . 59 LEU CA . 19410 1 244 . 1 1 59 59 LEU CB C 13 41.0 0.3 . 1 . . . . 59 LEU CB . 19410 1 245 . 1 1 59 59 LEU N N 15 123.7 0.3 . 1 . . . . 59 LEU N . 19410 1 246 . 1 1 60 60 GLY H H 1 8.13 0.02 . 1 . . . . 60 GLY H . 19410 1 247 . 1 1 60 60 GLY C C 13 174.6 0.3 . 1 . . . . 60 GLY C . 19410 1 248 . 1 1 60 60 GLY CA C 13 44.9 0.3 . 1 . . . . 60 GLY CA . 19410 1 249 . 1 1 60 60 GLY N N 15 108.6 0.3 . 1 . . . . 60 GLY N . 19410 1 250 . 1 1 61 61 ARG H H 1 7.99 0.02 . 1 . . . . 61 ARG H . 19410 1 251 . 1 1 61 61 ARG C C 13 177.1 0.3 . 1 . . . . 61 ARG C . 19410 1 252 . 1 1 61 61 ARG CA C 13 55.9 0.3 . 1 . . . . 61 ARG CA . 19410 1 253 . 1 1 61 61 ARG CB C 13 31.4 0.3 . 1 . . . . 61 ARG CB . 19410 1 254 . 1 1 61 61 ARG N N 15 120.7 0.3 . 1 . . . . 61 ARG N . 19410 1 255 . 1 1 62 62 MET H H 1 8.33 0.02 . 1 . . . . 62 MET H . 19410 1 256 . 1 1 62 62 MET C C 13 175.0 0.3 . 1 . . . . 62 MET C . 19410 1 257 . 1 1 62 62 MET CA C 13 56.1 0.3 . 1 . . . . 62 MET CA . 19410 1 258 . 1 1 62 62 MET CB C 13 31.7 0.3 . 1 . . . . 62 MET CB . 19410 1 259 . 1 1 62 62 MET N N 15 120.7 0.3 . 1 . . . . 62 MET N . 19410 1 260 . 1 1 64 64 TYR H H 1 7.58 0.02 . 1 . . . . 64 TYR H . 19410 1 261 . 1 1 64 64 TYR CA C 13 57.5 0.3 . 1 . . . . 64 TYR CA . 19410 1 262 . 1 1 64 64 TYR CB C 13 37.6 0.3 . 1 . . . . 64 TYR CB . 19410 1 263 . 1 1 64 64 TYR N N 15 120.1 0.3 . 1 . . . . 64 TYR N . 19410 1 264 . 1 1 65 65 LYS H H 1 8.27 0.02 . 1 . . . . 65 LYS H . 19410 1 265 . 1 1 65 65 LYS CA C 13 55.8 0.3 . 1 . . . . 65 LYS CA . 19410 1 266 . 1 1 65 65 LYS CB C 13 32.6 0.3 . 1 . . . . 65 LYS CB . 19410 1 267 . 1 1 65 65 LYS N N 15 117.5 0.3 . 1 . . . . 65 LYS N . 19410 1 268 . 1 1 66 66 GLY H H 1 7.80 0.02 . 1 . . . . 66 GLY H . 19410 1 269 . 1 1 66 66 GLY C C 13 173.8 0.3 . 1 . . . . 66 GLY C . 19410 1 270 . 1 1 66 66 GLY CA C 13 44.8 0.3 . 1 . . . . 66 GLY CA . 19410 1 271 . 1 1 66 66 GLY N N 15 109.4 0.3 . 1 . . . . 66 GLY N . 19410 1 272 . 1 1 67 67 SER H H 1 8.09 0.02 . 1 . . . . 67 SER H . 19410 1 273 . 1 1 67 67 SER CA C 13 57.9 0.3 . 1 . . . . 67 SER CA . 19410 1 274 . 1 1 67 67 SER CB C 13 63.4 0.3 . 1 . . . . 67 SER CB . 19410 1 275 . 1 1 67 67 SER N N 15 115.8 0.3 . 1 . . . . 67 SER N . 19410 1 276 . 1 1 68 68 VAL H H 1 8.11 0.02 . 1 . . . . 68 VAL H . 19410 1 277 . 1 1 68 68 VAL C C 13 176.0 0.3 . 1 . . . . 68 VAL C . 19410 1 278 . 1 1 68 68 VAL CA C 13 62.0 0.3 . 1 . . . . 68 VAL CA . 19410 1 279 . 1 1 68 68 VAL CB C 13 31.4 0.3 . 1 . . . . 68 VAL CB . 19410 1 280 . 1 1 68 68 VAL N N 15 121.3 0.3 . 1 . . . . 68 VAL N . 19410 1 281 . 1 1 69 69 GLU H H 1 8.34 0.02 . 1 . . . . 69 GLU H . 19410 1 282 . 1 1 69 69 GLU CA C 13 55.6 0.3 . 1 . . . . 69 GLU CA . 19410 1 283 . 1 1 69 69 GLU CB C 13 28.7 0.3 . 1 . . . . 69 GLU CB . 19410 1 284 . 1 1 69 69 GLU N N 15 123.6 0.3 . 1 . . . . 69 GLU N . 19410 1 285 . 1 1 70 70 ASN H H 1 8.23 0.02 . 1 . . . . 70 ASN H . 19410 1 286 . 1 1 70 70 ASN CA C 13 52.8 0.3 . 1 . . . . 70 ASN CA . 19410 1 287 . 1 1 70 70 ASN CB C 13 38.0 0.3 . 1 . . . . 70 ASN CB . 19410 1 288 . 1 1 70 70 ASN N N 15 120.6 0.3 . 1 . . . . 70 ASN N . 19410 1 289 . 1 1 71 71 GLY H H 1 8.06 0.02 . 1 . . . . 71 GLY H . 19410 1 290 . 1 1 71 71 GLY C C 13 173.9 0.3 . 1 . . . . 71 GLY C . 19410 1 291 . 1 1 71 71 GLY CA C 13 45.1 0.3 . 1 . . . . 71 GLY CA . 19410 1 292 . 1 1 71 71 GLY N N 15 108.4 0.3 . 1 . . . . 71 GLY N . 19410 1 293 . 1 1 72 72 ALA H H 1 7.99 0.02 . 1 . . . . 72 ALA H . 19410 1 294 . 1 1 72 72 ALA C C 13 177.5 0.3 . 1 . . . . 72 ALA C . 19410 1 295 . 1 1 72 72 ALA CA C 13 52.3 0.3 . 1 . . . . 72 ALA CA . 19410 1 296 . 1 1 72 72 ALA CB C 13 18.5 0.3 . 1 . . . . 72 ALA CB . 19410 1 297 . 1 1 72 72 ALA N N 15 123.6 0.3 . 1 . . . . 72 ALA N . 19410 1 298 . 1 1 73 73 TYR H H 1 7.98 0.02 . 1 . . . . 73 TYR H . 19410 1 299 . 1 1 73 73 TYR C C 13 175.6 0.3 . 1 . . . . 73 TYR C . 19410 1 300 . 1 1 73 73 TYR CA C 13 57.7 0.3 . 1 . . . . 73 TYR CA . 19410 1 301 . 1 1 73 73 TYR CB C 13 37.5 0.3 . 1 . . . . 73 TYR CB . 19410 1 302 . 1 1 73 73 TYR N N 15 118.8 0.3 . 1 . . . . 73 TYR N . 19410 1 303 . 1 1 74 74 LYS H H 1 7.85 0.02 . 1 . . . . 74 LYS H . 19410 1 304 . 1 1 74 74 LYS CA C 13 55.6 0.3 . 1 . . . . 74 LYS CA . 19410 1 305 . 1 1 74 74 LYS CB C 13 32.0 0.3 . 1 . . . . 74 LYS CB . 19410 1 306 . 1 1 74 74 LYS N N 15 123.2 0.3 . 1 . . . . 74 LYS N . 19410 1 307 . 1 1 75 75 ALA H H 1 8.06 0.02 . 1 . . . . 75 ALA H . 19410 1 308 . 1 1 75 75 ALA CA C 13 52.1 0.3 . 1 . . . . 75 ALA CA . 19410 1 309 . 1 1 75 75 ALA CB C 13 18.3 0.3 . 1 . . . . 75 ALA CB . 19410 1 310 . 1 1 75 75 ALA N N 15 125.0 0.3 . 1 . . . . 75 ALA N . 19410 1 311 . 1 1 76 76 GLN H H 1 8.21 0.02 . 1 . . . . 76 GLN H . 19410 1 312 . 1 1 76 76 GLN C C 13 176.3 0.3 . 1 . . . . 76 GLN C . 19410 1 313 . 1 1 76 76 GLN CA C 13 55.6 0.3 . 1 . . . . 76 GLN CA . 19410 1 314 . 1 1 76 76 GLN CB C 13 28.5 0.3 . 1 . . . . 76 GLN CB . 19410 1 315 . 1 1 76 76 GLN N N 15 119.3 0.3 . 1 . . . . 76 GLN N . 19410 1 316 . 1 1 77 77 GLY H H 1 8.28 0.02 . 1 . . . . 77 GLY H . 19410 1 317 . 1 1 77 77 GLY C C 13 174.0 0.3 . 1 . . . . 77 GLY C . 19410 1 318 . 1 1 77 77 GLY CA C 13 45.0 0.3 . 1 . . . . 77 GLY CA . 19410 1 319 . 1 1 77 77 GLY N N 15 109.8 0.3 . 1 . . . . 77 GLY N . 19410 1 320 . 1 1 78 78 VAL H H 1 7.90 0.02 . 1 . . . . 78 VAL H . 19410 1 321 . 1 1 78 78 VAL C C 13 176.3 0.3 . 1 . . . . 78 VAL C . 19410 1 322 . 1 1 78 78 VAL CA C 13 62.0 0.3 . 1 . . . . 78 VAL CA . 19410 1 323 . 1 1 78 78 VAL CB C 13 31.3 0.3 . 1 . . . . 78 VAL CB . 19410 1 324 . 1 1 78 78 VAL N N 15 119.5 0.3 . 1 . . . . 78 VAL N . 19410 1 325 . 1 1 79 79 GLN H H 1 8.41 0.02 . 1 . . . . 79 GLN H . 19410 1 326 . 1 1 79 79 GLN C C 13 176.3 0.3 . 1 . . . . 79 GLN C . 19410 1 327 . 1 1 79 79 GLN CA C 13 56.1 0.3 . 1 . . . . 79 GLN CA . 19410 1 328 . 1 1 79 79 GLN CB C 13 29.2 0.3 . 1 . . . . 79 GLN CB . 19410 1 329 . 1 1 79 79 GLN N N 15 123.7 0.3 . 1 . . . . 79 GLN N . 19410 1 330 . 1 1 80 80 LEU H H 1 7.96 0.02 . 1 . . . . 80 LEU H . 19410 1 331 . 1 1 80 80 LEU CA C 13 57.4 0.3 . 1 . . . . 80 LEU CA . 19410 1 332 . 1 1 80 80 LEU CB C 13 43.8 0.3 . 1 . . . . 80 LEU CB . 19410 1 333 . 1 1 80 80 LEU N N 15 120.8 0.3 . 1 . . . . 80 LEU N . 19410 1 334 . 1 1 81 81 THR H H 1 7.79 0.02 . 1 . . . . 81 THR H . 19410 1 335 . 1 1 81 81 THR C C 13 174.4 0.3 . 1 . . . . 81 THR C . 19410 1 336 . 1 1 81 81 THR CA C 13 61.3 0.3 . 1 . . . . 81 THR CA . 19410 1 337 . 1 1 81 81 THR CB C 13 69.0 0.3 . 1 . . . . 81 THR CB . 19410 1 338 . 1 1 81 81 THR N N 15 115.2 0.3 . 1 . . . . 81 THR N . 19410 1 339 . 1 1 82 82 ALA H H 1 8.09 0.02 . 1 . . . . 82 ALA H . 19410 1 340 . 1 1 82 82 ALA CA C 13 52.3 0.3 . 1 . . . . 82 ALA CA . 19410 1 341 . 1 1 82 82 ALA CB C 13 18.4 0.3 . 1 . . . . 82 ALA CB . 19410 1 342 . 1 1 82 82 ALA N N 15 125.7 0.3 . 1 . . . . 82 ALA N . 19410 1 343 . 1 1 83 83 LYS H H 1 8.07 0.02 . 1 . . . . 83 LYS H . 19410 1 344 . 1 1 83 83 LYS CA C 13 55.8 0.3 . 1 . . . . 83 LYS CA . 19410 1 345 . 1 1 83 83 LYS CB C 13 31.7 0.3 . 1 . . . . 83 LYS CB . 19410 1 346 . 1 1 83 83 LYS N N 15 120.2 0.3 . 1 . . . . 83 LYS N . 19410 1 347 . 1 1 84 84 LEU H H 1 7.99 0.02 . 1 . . . . 84 LEU H . 19410 1 348 . 1 1 84 84 LEU CA C 13 54.6 0.3 . 1 . . . . 84 LEU CA . 19410 1 349 . 1 1 84 84 LEU CB C 13 41.6 0.3 . 1 . . . . 84 LEU CB . 19410 1 350 . 1 1 84 84 LEU N N 15 122.6 0.3 . 1 . . . . 84 LEU N . 19410 1 351 . 1 1 85 85 GLY H H 1 8.02 0.02 . 1 . . . . 85 GLY H . 19410 1 352 . 1 1 85 85 GLY CA C 13 44.1 0.3 . 1 . . . . 85 GLY CA . 19410 1 353 . 1 1 85 85 GLY N N 15 109.1 0.3 . 1 . . . . 85 GLY N . 19410 1 354 . 1 1 86 86 TYR H H 1 7.85 0.02 . 1 . . . . 86 TYR H . 19410 1 355 . 1 1 86 86 TYR CA C 13 56.7 0.3 . 1 . . . . 86 TYR CA . 19410 1 356 . 1 1 86 86 TYR CB C 13 37.8 0.3 . 1 . . . . 86 TYR CB . 19410 1 357 . 1 1 86 86 TYR N N 15 120.7 0.3 . 1 . . . . 86 TYR N . 19410 1 358 . 1 1 88 88 ILE H H 1 7.94 0.02 . 1 . . . . 88 ILE H . 19410 1 359 . 1 1 88 88 ILE C C 13 178.3 0.3 . 1 . . . . 88 ILE C . 19410 1 360 . 1 1 88 88 ILE CA C 13 62.1 0.3 . 1 . . . . 88 ILE CA . 19410 1 361 . 1 1 88 88 ILE CB C 13 37.7 0.3 . 1 . . . . 88 ILE CB . 19410 1 362 . 1 1 88 88 ILE N N 15 119.2 0.3 . 1 . . . . 88 ILE N . 19410 1 363 . 1 1 89 89 THR H H 1 7.90 0.02 . 1 . . . . 89 THR H . 19410 1 364 . 1 1 89 89 THR CA C 13 62.8 0.3 . 1 . . . . 89 THR CA . 19410 1 365 . 1 1 89 89 THR CB C 13 69.0 0.3 . 1 . . . . 89 THR CB . 19410 1 366 . 1 1 89 89 THR N N 15 112.4 0.3 . 1 . . . . 89 THR N . 19410 1 367 . 1 1 90 90 ASP H H 1 8.28 0.02 . 1 . . . . 90 ASP H . 19410 1 368 . 1 1 90 90 ASP C C 13 176.0 0.3 . 1 . . . . 90 ASP C . 19410 1 369 . 1 1 90 90 ASP CA C 13 53.7 0.3 . 1 . . . . 90 ASP CA . 19410 1 370 . 1 1 90 90 ASP CB C 13 40.7 0.3 . 1 . . . . 90 ASP CB . 19410 1 371 . 1 1 90 90 ASP N N 15 120.1 0.3 . 1 . . . . 90 ASP N . 19410 1 372 . 1 1 91 91 ASP H H 1 8.18 0.02 . 1 . . . . 91 ASP H . 19410 1 373 . 1 1 91 91 ASP C C 13 176.4 0.3 . 1 . . . . 91 ASP C . 19410 1 374 . 1 1 91 91 ASP CA C 13 54.9 0.3 . 1 . . . . 91 ASP CA . 19410 1 375 . 1 1 91 91 ASP CB C 13 41.4 0.3 . 1 . . . . 91 ASP CB . 19410 1 376 . 1 1 91 91 ASP N N 15 123.9 0.3 . 1 . . . . 91 ASP N . 19410 1 377 . 1 1 92 92 LEU H H 1 8.02 0.02 . 1 . . . . 92 LEU H . 19410 1 378 . 1 1 92 92 LEU C C 13 175.3 0.3 . 1 . . . . 92 LEU C . 19410 1 379 . 1 1 92 92 LEU CA C 13 56.6 0.3 . 1 . . . . 92 LEU CA . 19410 1 380 . 1 1 92 92 LEU CB C 13 44.1 0.3 . 1 . . . . 92 LEU CB . 19410 1 381 . 1 1 92 92 LEU N N 15 122.1 0.3 . 1 . . . . 92 LEU N . 19410 1 382 . 1 1 93 93 ASP H H 1 8.44 0.02 . 1 . . . . 93 ASP H . 19410 1 383 . 1 1 93 93 ASP C C 13 176.0 0.3 . 1 . . . . 93 ASP C . 19410 1 384 . 1 1 93 93 ASP CA C 13 53.0 0.3 . 1 . . . . 93 ASP CA . 19410 1 385 . 1 1 93 93 ASP CB C 13 38.1 0.3 . 1 . . . . 93 ASP CB . 19410 1 386 . 1 1 93 93 ASP N N 15 119.5 0.3 . 1 . . . . 93 ASP N . 19410 1 387 . 1 1 94 94 ILE H H 1 7.75 0.02 . 1 . . . . 94 ILE H . 19410 1 388 . 1 1 94 94 ILE CA C 13 61.5 0.3 . 1 . . . . 94 ILE CA . 19410 1 389 . 1 1 94 94 ILE CB C 13 37.4 0.3 . 1 . . . . 94 ILE CB . 19410 1 390 . 1 1 94 94 ILE N N 15 119.0 0.3 . 1 . . . . 94 ILE N . 19410 1 391 . 1 1 95 95 TYR H H 1 7.91 0.02 . 1 . . . . 95 TYR H . 19410 1 392 . 1 1 95 95 TYR CA C 13 57.0 0.3 . 1 . . . . 95 TYR CA . 19410 1 393 . 1 1 95 95 TYR CB C 13 38.7 0.3 . 1 . . . . 95 TYR CB . 19410 1 394 . 1 1 95 95 TYR N N 15 119.7 0.3 . 1 . . . . 95 TYR N . 19410 1 395 . 1 1 96 96 THR H H 1 7.93 0.02 . 1 . . . . 96 THR H . 19410 1 396 . 1 1 96 96 THR C C 13 175.5 0.3 . 1 . . . . 96 THR C . 19410 1 397 . 1 1 96 96 THR CA C 13 62.6 0.3 . 1 . . . . 96 THR CA . 19410 1 398 . 1 1 96 96 THR CB C 13 68.6 0.3 . 1 . . . . 96 THR CB . 19410 1 399 . 1 1 96 96 THR N N 15 115.1 0.3 . 1 . . . . 96 THR N . 19410 1 400 . 1 1 97 97 ARG H H 1 7.60 0.02 . 1 . . . . 97 ARG H . 19410 1 401 . 1 1 97 97 ARG C C 13 175.4 0.3 . 1 . . . . 97 ARG C . 19410 1 402 . 1 1 97 97 ARG CA C 13 57.5 0.3 . 1 . . . . 97 ARG CA . 19410 1 403 . 1 1 97 97 ARG CB C 13 30.8 0.3 . 1 . . . . 97 ARG CB . 19410 1 404 . 1 1 97 97 ARG N N 15 120.4 0.3 . 1 . . . . 97 ARG N . 19410 1 405 . 1 1 98 98 LEU H H 1 8.07 0.02 . 1 . . . . 98 LEU H . 19410 1 406 . 1 1 98 98 LEU CA C 13 55.1 0.3 . 1 . . . . 98 LEU CA . 19410 1 407 . 1 1 98 98 LEU CB C 13 41.1 0.3 . 1 . . . . 98 LEU CB . 19410 1 408 . 1 1 98 98 LEU N N 15 122.3 0.3 . 1 . . . . 98 LEU N . 19410 1 409 . 1 1 99 99 GLY H H 1 8.28 0.02 . 1 . . . . 99 GLY H . 19410 1 410 . 1 1 99 99 GLY C C 13 174.5 0.3 . 1 . . . . 99 GLY C . 19410 1 411 . 1 1 99 99 GLY CA C 13 45.2 0.3 . 1 . . . . 99 GLY CA . 19410 1 412 . 1 1 99 99 GLY N N 15 109.3 0.3 . 1 . . . . 99 GLY N . 19410 1 413 . 1 1 100 100 GLY H H 1 8.14 0.02 . 1 . . . . 100 GLY H . 19410 1 414 . 1 1 100 100 GLY C C 13 174.5 0.3 . 1 . . . . 100 GLY C . 19410 1 415 . 1 1 100 100 GLY CA C 13 44.8 0.3 . 1 . . . . 100 GLY CA . 19410 1 416 . 1 1 100 100 GLY N N 15 109.0 0.3 . 1 . . . . 100 GLY N . 19410 1 417 . 1 1 101 101 MET H H 1 8.17 0.02 . 1 . . . . 101 MET H . 19410 1 418 . 1 1 101 101 MET C C 13 176.5 0.3 . 1 . . . . 101 MET C . 19410 1 419 . 1 1 101 101 MET CA C 13 55.3 0.3 . 1 . . . . 101 MET CA . 19410 1 420 . 1 1 101 101 MET CB C 13 31.7 0.3 . 1 . . . . 101 MET CB . 19410 1 421 . 1 1 101 101 MET N N 15 120.2 0.3 . 1 . . . . 101 MET N . 19410 1 422 . 1 1 102 102 VAL H H 1 8.00 0.02 . 1 . . . . 102 VAL H . 19410 1 423 . 1 1 102 102 VAL C C 13 176.2 0.3 . 1 . . . . 102 VAL C . 19410 1 424 . 1 1 102 102 VAL CA C 13 61.2 0.3 . 1 . . . . 102 VAL CA . 19410 1 425 . 1 1 102 102 VAL CB C 13 31.7 0.3 . 1 . . . . 102 VAL CB . 19410 1 426 . 1 1 102 102 VAL N N 15 120.9 0.3 . 1 . . . . 102 VAL N . 19410 1 427 . 1 1 103 103 TRP H H 1 8.30 0.02 . 1 . . . . 103 TRP H . 19410 1 428 . 1 1 103 103 TRP C C 13 172.9 0.3 . 1 . . . . 103 TRP C . 19410 1 429 . 1 1 103 103 TRP CA C 13 55.8 0.3 . 1 . . . . 103 TRP CA . 19410 1 430 . 1 1 103 103 TRP CB C 13 29.4 0.3 . 1 . . . . 103 TRP CB . 19410 1 431 . 1 1 103 103 TRP N N 15 121.0 0.3 . 1 . . . . 103 TRP N . 19410 1 432 . 1 1 104 104 ARG H H 1 8.03 0.02 . 1 . . . . 104 ARG H . 19410 1 433 . 1 1 104 104 ARG CA C 13 55.5 0.3 . 1 . . . . 104 ARG CA . 19410 1 434 . 1 1 104 104 ARG CB C 13 29.2 0.3 . 1 . . . . 104 ARG CB . 19410 1 435 . 1 1 104 104 ARG N N 15 122.0 0.3 . 1 . . . . 104 ARG N . 19410 1 436 . 1 1 105 105 ALA H H 1 8.10 0.02 . 1 . . . . 105 ALA H . 19410 1 437 . 1 1 105 105 ALA CA C 13 52.1 0.3 . 1 . . . . 105 ALA CA . 19410 1 438 . 1 1 105 105 ALA CB C 13 18.2 0.3 . 1 . . . . 105 ALA CB . 19410 1 439 . 1 1 105 105 ALA N N 15 125.0 0.3 . 1 . . . . 105 ALA N . 19410 1 440 . 1 1 106 106 ASP H H 1 8.24 0.02 . 1 . . . . 106 ASP H . 19410 1 441 . 1 1 106 106 ASP C C 13 175.7 0.3 . 1 . . . . 106 ASP C . 19410 1 442 . 1 1 106 106 ASP CA C 13 53.8 0.3 . 1 . . . . 106 ASP CA . 19410 1 443 . 1 1 106 106 ASP CB C 13 40.7 0.3 . 1 . . . . 106 ASP CB . 19410 1 444 . 1 1 106 106 ASP N N 15 119.4 0.3 . 1 . . . . 106 ASP N . 19410 1 445 . 1 1 107 107 THR H H 1 7.97 0.02 . 1 . . . . 107 THR H . 19410 1 446 . 1 1 107 107 THR C C 13 173.6 0.3 . 1 . . . . 107 THR C . 19410 1 447 . 1 1 107 107 THR CA C 13 61.8 0.3 . 1 . . . . 107 THR CA . 19410 1 448 . 1 1 107 107 THR CB C 13 69.4 0.3 . 1 . . . . 107 THR CB . 19410 1 449 . 1 1 107 107 THR N N 15 114.5 0.3 . 1 . . . . 107 THR N . 19410 1 450 . 1 1 108 108 LYS H H 1 7.91 0.02 . 1 . . . . 108 LYS H . 19410 1 451 . 1 1 108 108 LYS CA C 13 55.2 0.3 . 1 . . . . 108 LYS CA . 19410 1 452 . 1 1 108 108 LYS CB C 13 31.3 0.3 . 1 . . . . 108 LYS CB . 19410 1 453 . 1 1 108 108 LYS N N 15 119.8 0.3 . 1 . . . . 108 LYS N . 19410 1 454 . 1 1 109 109 SER H H 1 8.10 0.02 . 1 . . . . 109 SER H . 19410 1 455 . 1 1 109 109 SER CA C 13 57.9 0.3 . 1 . . . . 109 SER CA . 19410 1 456 . 1 1 109 109 SER CB C 13 63.2 0.3 . 1 . . . . 109 SER CB . 19410 1 457 . 1 1 109 109 SER N N 15 116.1 0.3 . 1 . . . . 109 SER N . 19410 1 458 . 1 1 110 110 ASN H H 1 8.36 0.02 . 1 . . . . 110 ASN H . 19410 1 459 . 1 1 110 110 ASN CA C 13 52.9 0.3 . 1 . . . . 110 ASN CA . 19410 1 460 . 1 1 110 110 ASN CB C 13 37.8 0.3 . 1 . . . . 110 ASN CB . 19410 1 461 . 1 1 110 110 ASN N N 15 119.5 0.3 . 1 . . . . 110 ASN N . 19410 1 462 . 1 1 111 111 VAL H H 1 7.88 0.02 . 1 . . . . 111 VAL H . 19410 1 463 . 1 1 111 111 VAL C C 13 175.9 0.3 . 1 . . . . 111 VAL C . 19410 1 464 . 1 1 111 111 VAL CA C 13 61.9 0.3 . 1 . . . . 111 VAL CA . 19410 1 465 . 1 1 111 111 VAL CB C 13 31.7 0.3 . 1 . . . . 111 VAL CB . 19410 1 466 . 1 1 111 111 VAL N N 15 119.6 0.3 . 1 . . . . 111 VAL N . 19410 1 467 . 1 1 112 112 TYR H H 1 8.08 0.02 . 1 . . . . 112 TYR H . 19410 1 468 . 1 1 112 112 TYR C C 13 175.3 0.3 . 1 . . . . 112 TYR C . 19410 1 469 . 1 1 112 112 TYR CA C 13 57.5 0.3 . 1 . . . . 112 TYR CA . 19410 1 470 . 1 1 112 112 TYR CB C 13 37.9 0.3 . 1 . . . . 112 TYR CB . 19410 1 471 . 1 1 112 112 TYR N N 15 123.0 0.3 . 1 . . . . 112 TYR N . 19410 1 472 . 1 1 113 113 GLY H H 1 8.30 0.02 . 1 . . . . 113 GLY H . 19410 1 473 . 1 1 113 113 GLY C C 13 173.9 0.3 . 1 . . . . 113 GLY C . 19410 1 474 . 1 1 113 113 GLY CA C 13 44.9 0.3 . 1 . . . . 113 GLY CA . 19410 1 475 . 1 1 113 113 GLY N N 15 111.1 0.3 . 1 . . . . 113 GLY N . 19410 1 476 . 1 1 114 114 LYS H H 1 8.09 0.02 . 1 . . . . 114 LYS H . 19410 1 477 . 1 1 114 114 LYS C C 13 175.2 0.3 . 1 . . . . 114 LYS C . 19410 1 478 . 1 1 114 114 LYS CA C 13 55.4 0.3 . 1 . . . . 114 LYS CA . 19410 1 479 . 1 1 114 114 LYS CB C 13 31.9 0.3 . 1 . . . . 114 LYS CB . 19410 1 480 . 1 1 114 114 LYS N N 15 120.3 0.3 . 1 . . . . 114 LYS N . 19410 1 481 . 1 1 115 115 ASN H H 1 8.08 0.02 . 1 . . . . 115 ASN H . 19410 1 482 . 1 1 115 115 ASN C C 13 175.2 0.3 . 1 . . . . 115 ASN C . 19410 1 483 . 1 1 115 115 ASN CA C 13 53.9 0.3 . 1 . . . . 115 ASN CA . 19410 1 484 . 1 1 115 115 ASN CB C 13 40.5 0.3 . 1 . . . . 115 ASN CB . 19410 1 485 . 1 1 115 115 ASN N N 15 121.2 0.3 . 1 . . . . 115 ASN N . 19410 1 486 . 1 1 116 116 HIS H H 1 8.23 0.02 . 1 . . . . 116 HIS H . 19410 1 487 . 1 1 116 116 HIS C C 13 176.3 0.3 . 1 . . . . 116 HIS C . 19410 1 488 . 1 1 116 116 HIS CA C 13 56.2 0.3 . 1 . . . . 116 HIS CA . 19410 1 489 . 1 1 116 116 HIS CB C 13 31.3 0.3 . 1 . . . . 116 HIS CB . 19410 1 490 . 1 1 116 116 HIS N N 15 122.9 0.3 . 1 . . . . 116 HIS N . 19410 1 491 . 1 1 117 117 ASP H H 1 8.14 0.02 . 1 . . . . 117 ASP H . 19410 1 492 . 1 1 117 117 ASP CA C 13 54.0 0.3 . 1 . . . . 117 ASP CA . 19410 1 493 . 1 1 117 117 ASP CB C 13 40.6 0.3 . 1 . . . . 117 ASP CB . 19410 1 494 . 1 1 117 117 ASP N N 15 121.0 0.3 . 1 . . . . 117 ASP N . 19410 1 495 . 1 1 118 118 THR H H 1 8.02 0.02 . 1 . . . . 118 THR H . 19410 1 496 . 1 1 118 118 THR C C 13 176.4 0.3 . 1 . . . . 118 THR C . 19410 1 497 . 1 1 118 118 THR CA C 13 61.7 0.3 . 1 . . . . 118 THR CA . 19410 1 498 . 1 1 118 118 THR CB C 13 69.0 0.3 . 1 . . . . 118 THR CB . 19410 1 499 . 1 1 118 118 THR N N 15 113.9 0.3 . 1 . . . . 118 THR N . 19410 1 500 . 1 1 119 119 GLY H H 1 8.32 0.02 . 1 . . . . 119 GLY H . 19410 1 501 . 1 1 119 119 GLY C C 13 173.9 0.3 . 1 . . . . 119 GLY C . 19410 1 502 . 1 1 119 119 GLY CA C 13 44.8 0.3 . 1 . . . . 119 GLY CA . 19410 1 503 . 1 1 119 119 GLY N N 15 110.8 0.3 . 1 . . . . 119 GLY N . 19410 1 504 . 1 1 120 120 VAL H H 1 7.82 0.02 . 1 . . . . 120 VAL H . 19410 1 505 . 1 1 120 120 VAL C C 13 176.1 0.3 . 1 . . . . 120 VAL C . 19410 1 506 . 1 1 120 120 VAL CA C 13 61.7 0.3 . 1 . . . . 120 VAL CA . 19410 1 507 . 1 1 120 120 VAL CB C 13 31.8 0.3 . 1 . . . . 120 VAL CB . 19410 1 508 . 1 1 120 120 VAL N N 15 118.9 0.3 . 1 . . . . 120 VAL N . 19410 1 509 . 1 1 121 121 SER H H 1 8.21 0.02 . 1 . . . . 121 SER H . 19410 1 510 . 1 1 121 121 SER C C 13 176.1 0.3 . 1 . . . . 121 SER C . 19410 1 511 . 1 1 121 121 SER CA C 13 57.8 0.3 . 1 . . . . 121 SER CA . 19410 1 512 . 1 1 121 121 SER CB C 13 63.0 0.3 . 1 . . . . 121 SER CB . 19410 1 513 . 1 1 121 121 SER N N 15 118.7 0.3 . 1 . . . . 121 SER N . 19410 1 514 . 1 1 123 123 VAL H H 1 8.08 0.02 . 1 . . . . 123 VAL H . 19410 1 515 . 1 1 123 123 VAL C C 13 176.2 0.3 . 1 . . . . 123 VAL C . 19410 1 516 . 1 1 123 123 VAL CA C 13 60.8 0.3 . 1 . . . . 123 VAL CA . 19410 1 517 . 1 1 123 123 VAL CB C 13 30.8 0.3 . 1 . . . . 123 VAL CB . 19410 1 518 . 1 1 123 123 VAL N N 15 120.7 0.3 . 1 . . . . 123 VAL N . 19410 1 519 . 1 1 124 124 PHE H H 1 7.98 0.02 . 1 . . . . 124 PHE H . 19410 1 520 . 1 1 124 124 PHE CA C 13 57.5 0.3 . 1 . . . . 124 PHE CA . 19410 1 521 . 1 1 124 124 PHE CB C 13 38.8 0.3 . 1 . . . . 124 PHE CB . 19410 1 522 . 1 1 124 124 PHE N N 15 119.6 0.3 . 1 . . . . 124 PHE N . 19410 1 523 . 1 1 125 125 ALA H H 1 8.03 0.02 . 1 . . . . 125 ALA H . 19410 1 524 . 1 1 125 125 ALA CA C 13 51.9 0.3 . 1 . . . . 125 ALA CA . 19410 1 525 . 1 1 125 125 ALA CB C 13 18.5 0.3 . 1 . . . . 125 ALA CB . 19410 1 526 . 1 1 125 125 ALA N N 15 124.9 0.3 . 1 . . . . 125 ALA N . 19410 1 527 . 1 1 126 126 GLY H H 1 7.87 0.02 . 1 . . . . 126 GLY H . 19410 1 528 . 1 1 126 126 GLY C C 13 176.4 0.3 . 1 . . . . 126 GLY C . 19410 1 529 . 1 1 126 126 GLY CA C 13 45.1 0.3 . 1 . . . . 126 GLY CA . 19410 1 530 . 1 1 126 126 GLY N N 15 107.7 0.3 . 1 . . . . 126 GLY N . 19410 1 531 . 1 1 127 127 GLY H H 1 8.17 0.02 . 1 . . . . 127 GLY H . 19410 1 532 . 1 1 127 127 GLY CA C 13 44.8 0.3 . 1 . . . . 127 GLY CA . 19410 1 533 . 1 1 127 127 GLY N N 15 109.1 0.3 . 1 . . . . 127 GLY N . 19410 1 534 . 1 1 128 128 VAL H H 1 7.86 0.02 . 1 . . . . 128 VAL H . 19410 1 535 . 1 1 128 128 VAL C C 13 176.0 0.3 . 1 . . . . 128 VAL C . 19410 1 536 . 1 1 128 128 VAL CA C 13 61.7 0.3 . 1 . . . . 128 VAL CA . 19410 1 537 . 1 1 128 128 VAL CB C 13 31.7 0.3 . 1 . . . . 128 VAL CB . 19410 1 538 . 1 1 128 128 VAL N N 15 119.1 0.3 . 1 . . . . 128 VAL N . 19410 1 539 . 1 1 129 129 GLU H H 1 8.42 0.02 . 1 . . . . 129 GLU H . 19410 1 540 . 1 1 129 129 GLU CA C 13 56.1 0.3 . 1 . . . . 129 GLU CA . 19410 1 541 . 1 1 129 129 GLU CB C 13 29.3 0.3 . 1 . . . . 129 GLU CB . 19410 1 542 . 1 1 129 129 GLU N N 15 124.1 0.3 . 1 . . . . 129 GLU N . 19410 1 543 . 1 1 130 130 TYR H H 1 7.94 0.02 . 1 . . . . 130 TYR H . 19410 1 544 . 1 1 130 130 TYR C C 13 175.1 0.3 . 1 . . . . 130 TYR C . 19410 1 545 . 1 1 130 130 TYR CA C 13 57.1 0.3 . 1 . . . . 130 TYR CA . 19410 1 546 . 1 1 130 130 TYR CB C 13 38.3 0.3 . 1 . . . . 130 TYR CB . 19410 1 547 . 1 1 130 130 TYR N N 15 121.1 0.3 . 1 . . . . 130 TYR N . 19410 1 548 . 1 1 131 131 ALA H H 1 8.14 0.02 . 1 . . . . 131 ALA H . 19410 1 549 . 1 1 131 131 ALA C C 13 177.1 0.3 . 1 . . . . 131 ALA C . 19410 1 550 . 1 1 131 131 ALA CA C 13 51.7 0.3 . 1 . . . . 131 ALA CA . 19410 1 551 . 1 1 131 131 ALA CB C 13 18.5 0.3 . 1 . . . . 131 ALA CB . 19410 1 552 . 1 1 131 131 ALA N N 15 125.8 0.3 . 1 . . . . 131 ALA N . 19410 1 553 . 1 1 132 132 ILE H H 1 7.99 0.02 . 1 . . . . 132 ILE H . 19410 1 554 . 1 1 132 132 ILE CA C 13 60.5 0.3 . 1 . . . . 132 ILE CA . 19410 1 555 . 1 1 132 132 ILE CB C 13 37.9 0.3 . 1 . . . . 132 ILE CB . 19410 1 556 . 1 1 132 132 ILE N N 15 120.2 0.3 . 1 . . . . 132 ILE N . 19410 1 557 . 1 1 133 133 THR H H 1 7.95 0.02 . 1 . . . . 133 THR H . 19410 1 558 . 1 1 133 133 THR C C 13 175.8 0.3 . 1 . . . . 133 THR C . 19410 1 559 . 1 1 133 133 THR CA C 13 61.0 0.3 . 1 . . . . 133 THR CA . 19410 1 560 . 1 1 133 133 THR CB C 13 69.2 0.3 . 1 . . . . 133 THR CB . 19410 1 561 . 1 1 133 133 THR N N 15 116.2 0.3 . 1 . . . . 133 THR N . 19410 1 562 . 1 1 135 135 GLU H H 1 8.36 0.02 . 1 . . . . 135 GLU H . 19410 1 563 . 1 1 135 135 GLU C C 13 176.3 0.3 . 1 . . . . 135 GLU C . 19410 1 564 . 1 1 135 135 GLU CA C 13 56.2 0.3 . 1 . . . . 135 GLU CA . 19410 1 565 . 1 1 135 135 GLU CB C 13 29.2 0.3 . 1 . . . . 135 GLU CB . 19410 1 566 . 1 1 135 135 GLU N N 15 121.2 0.3 . 1 . . . . 135 GLU N . 19410 1 567 . 1 1 136 136 ILE H H 1 8.02 0.02 . 1 . . . . 136 ILE H . 19410 1 568 . 1 1 136 136 ILE CA C 13 60.6 0.3 . 1 . . . . 136 ILE CA . 19410 1 569 . 1 1 136 136 ILE CB C 13 37.6 0.3 . 1 . . . . 136 ILE CB . 19410 1 570 . 1 1 136 136 ILE N N 15 122.1 0.3 . 1 . . . . 136 ILE N . 19410 1 571 . 1 1 137 137 ALA H H 1 8.18 0.02 . 1 . . . . 137 ALA H . 19410 1 572 . 1 1 137 137 ALA CA C 13 52.2 0.3 . 1 . . . . 137 ALA CA . 19410 1 573 . 1 1 137 137 ALA CB C 13 18.8 0.3 . 1 . . . . 137 ALA CB . 19410 1 574 . 1 1 137 137 ALA N N 15 125.6 0.3 . 1 . . . . 137 ALA N . 19410 1 575 . 1 1 138 138 THR H H 1 7.98 0.02 . 1 . . . . 138 THR H . 19410 1 576 . 1 1 138 138 THR CA C 13 61.1 0.3 . 1 . . . . 138 THR CA . 19410 1 577 . 1 1 138 138 THR CB C 13 69.6 0.3 . 1 . . . . 138 THR CB . 19410 1 578 . 1 1 138 138 THR N N 15 114.4 0.3 . 1 . . . . 138 THR N . 19410 1 579 . 1 1 139 139 ARG H H 1 8.04 0.02 . 1 . . . . 139 ARG H . 19410 1 580 . 1 1 139 139 ARG C C 13 175.8 0.3 . 1 . . . . 139 ARG C . 19410 1 581 . 1 1 139 139 ARG CA C 13 55.7 0.3 . 1 . . . . 139 ARG CA . 19410 1 582 . 1 1 139 139 ARG CB C 13 29.6 0.3 . 1 . . . . 139 ARG CB . 19410 1 583 . 1 1 139 139 ARG N N 15 120.9 0.3 . 1 . . . . 139 ARG N . 19410 1 584 . 1 1 140 140 LEU H H 1 8.32 0.02 . 1 . . . . 140 LEU H . 19410 1 585 . 1 1 140 140 LEU C C 13 177.1 0.3 . 1 . . . . 140 LEU C . 19410 1 586 . 1 1 140 140 LEU CA C 13 54.9 0.3 . 1 . . . . 140 LEU CA . 19410 1 587 . 1 1 140 140 LEU CB C 13 41.3 0.3 . 1 . . . . 140 LEU CB . 19410 1 588 . 1 1 140 140 LEU N N 15 125.0 0.3 . 1 . . . . 140 LEU N . 19410 1 589 . 1 1 141 141 GLU H H 1 8.31 0.02 . 1 . . . . 141 GLU H . 19410 1 590 . 1 1 141 141 GLU C C 13 176.0 0.3 . 1 . . . . 141 GLU C . 19410 1 591 . 1 1 141 141 GLU CA C 13 56.2 0.3 . 1 . . . . 141 GLU CA . 19410 1 592 . 1 1 141 141 GLU CB C 13 29.4 0.3 . 1 . . . . 141 GLU CB . 19410 1 593 . 1 1 141 141 GLU N N 15 121.7 0.3 . 1 . . . . 141 GLU N . 19410 1 594 . 1 1 142 142 TYR H H 1 8.02 0.02 . 1 . . . . 142 TYR H . 19410 1 595 . 1 1 142 142 TYR C C 13 175.4 0.3 . 1 . . . . 142 TYR C . 19410 1 596 . 1 1 142 142 TYR CA C 13 57.4 0.3 . 1 . . . . 142 TYR CA . 19410 1 597 . 1 1 142 142 TYR CB C 13 37.8 0.3 . 1 . . . . 142 TYR CB . 19410 1 598 . 1 1 142 142 TYR N N 15 122.6 0.3 . 1 . . . . 142 TYR N . 19410 1 599 . 1 1 143 143 GLN H H 1 8.11 0.02 . 1 . . . . 143 GLN H . 19410 1 600 . 1 1 143 143 GLN C C 13 176.3 0.3 . 1 . . . . 143 GLN C . 19410 1 601 . 1 1 143 143 GLN CA C 13 55.0 0.3 . 1 . . . . 143 GLN CA . 19410 1 602 . 1 1 143 143 GLN CB C 13 28.6 0.3 . 1 . . . . 143 GLN CB . 19410 1 603 . 1 1 143 143 GLN N N 15 122.2 0.3 . 1 . . . . 143 GLN N . 19410 1 604 . 1 1 144 144 TRP H H 1 8.17 0.02 . 1 . . . . 144 TRP H . 19410 1 605 . 1 1 144 144 TRP C C 13 172.8 0.3 . 1 . . . . 144 TRP C . 19410 1 606 . 1 1 144 144 TRP CA C 13 54.0 0.3 . 1 . . . . 144 TRP CA . 19410 1 607 . 1 1 144 144 TRP CB C 13 29.5 0.3 . 1 . . . . 144 TRP CB . 19410 1 608 . 1 1 144 144 TRP N N 15 121.0 0.3 . 1 . . . . 144 TRP N . 19410 1 609 . 1 1 145 145 THR H H 1 8.08 0.02 . 1 . . . . 145 THR H . 19410 1 610 . 1 1 145 145 THR C C 13 175.4 0.3 . 1 . . . . 145 THR C . 19410 1 611 . 1 1 145 145 THR CA C 13 62.2 0.3 . 1 . . . . 145 THR CA . 19410 1 612 . 1 1 145 145 THR CB C 13 69.3 0.3 . 1 . . . . 145 THR CB . 19410 1 613 . 1 1 145 145 THR N N 15 114.2 0.3 . 1 . . . . 145 THR N . 19410 1 614 . 1 1 146 146 ASN H H 1 8.19 0.02 . 1 . . . . 146 ASN H . 19410 1 615 . 1 1 146 146 ASN C C 13 177.4 0.3 . 1 . . . . 146 ASN C . 19410 1 616 . 1 1 146 146 ASN CA C 13 55.3 0.3 . 1 . . . . 146 ASN CA . 19410 1 617 . 1 1 146 146 ASN CB C 13 40.5 0.3 . 1 . . . . 146 ASN CB . 19410 1 618 . 1 1 146 146 ASN N N 15 120.3 0.3 . 1 . . . . 146 ASN N . 19410 1 619 . 1 1 147 147 ASN H H 1 8.16 0.02 . 1 . . . . 147 ASN H . 19410 1 620 . 1 1 147 147 ASN CA C 13 53.0 0.3 . 1 . . . . 147 ASN CA . 19410 1 621 . 1 1 147 147 ASN CB C 13 37.4 0.3 . 1 . . . . 147 ASN CB . 19410 1 622 . 1 1 147 147 ASN N N 15 121.8 0.3 . 1 . . . . 147 ASN N . 19410 1 623 . 1 1 148 148 ILE H H 1 7.99 0.02 . 1 . . . . 148 ILE H . 19410 1 624 . 1 1 148 148 ILE C C 13 176.7 0.3 . 1 . . . . 148 ILE C . 19410 1 625 . 1 1 148 148 ILE CA C 13 61.2 0.3 . 1 . . . . 148 ILE CA . 19410 1 626 . 1 1 148 148 ILE CB C 13 37.8 0.3 . 1 . . . . 148 ILE CB . 19410 1 627 . 1 1 148 148 ILE N N 15 121.0 0.3 . 1 . . . . 148 ILE N . 19410 1 628 . 1 1 149 149 GLY H H 1 8.28 0.02 . 1 . . . . 149 GLY H . 19410 1 629 . 1 1 149 149 GLY C C 13 173.9 0.3 . 1 . . . . 149 GLY C . 19410 1 630 . 1 1 149 149 GLY CA C 13 44.9 0.3 . 1 . . . . 149 GLY CA . 19410 1 631 . 1 1 149 149 GLY N N 15 111.9 0.3 . 1 . . . . 149 GLY N . 19410 1 632 . 1 1 150 150 ASP H H 1 8.05 0.02 . 1 . . . . 150 ASP H . 19410 1 633 . 1 1 150 150 ASP C C 13 176.3 0.3 . 1 . . . . 150 ASP C . 19410 1 634 . 1 1 150 150 ASP CA C 13 53.9 0.3 . 1 . . . . 150 ASP CA . 19410 1 635 . 1 1 150 150 ASP CB C 13 40.8 0.3 . 1 . . . . 150 ASP CB . 19410 1 636 . 1 1 150 150 ASP N N 15 121.1 0.3 . 1 . . . . 150 ASP N . 19410 1 637 . 1 1 151 151 ALA H H 1 8.18 0.02 . 1 . . . . 151 ALA H . 19410 1 638 . 1 1 151 151 ALA C C 13 177.8 0.3 . 1 . . . . 151 ALA C . 19410 1 639 . 1 1 151 151 ALA CA C 13 52.3 0.3 . 1 . . . . 151 ALA CA . 19410 1 640 . 1 1 151 151 ALA CB C 13 18.3 0.3 . 1 . . . . 151 ALA CB . 19410 1 641 . 1 1 151 151 ALA N N 15 124.2 0.3 . 1 . . . . 151 ALA N . 19410 1 642 . 1 1 152 152 HIS H H 1 8.08 0.02 . 1 . . . . 152 HIS H . 19410 1 643 . 1 1 152 152 HIS CA C 13 55.3 0.3 . 1 . . . . 152 HIS CA . 19410 1 644 . 1 1 152 152 HIS CB C 13 31.2 0.3 . 1 . . . . 152 HIS CB . 19410 1 645 . 1 1 152 152 HIS N N 15 120.0 0.3 . 1 . . . . 152 HIS N . 19410 1 646 . 1 1 153 153 THR H H 1 7.93 0.02 . 1 . . . . 153 THR H . 19410 1 647 . 1 1 153 153 THR C C 13 174.5 0.3 . 1 . . . . 153 THR C . 19410 1 648 . 1 1 153 153 THR CA C 13 61.6 0.3 . 1 . . . . 153 THR CA . 19410 1 649 . 1 1 153 153 THR CB C 13 69.3 0.3 . 1 . . . . 153 THR CB . 19410 1 650 . 1 1 153 153 THR N N 15 113.3 0.3 . 1 . . . . 153 THR N . 19410 1 651 . 1 1 154 154 ILE H H 1 8.08 0.02 . 1 . . . . 154 ILE H . 19410 1 652 . 1 1 154 154 ILE C C 13 176.6 0.3 . 1 . . . . 154 ILE C . 19410 1 653 . 1 1 154 154 ILE CA C 13 61.1 0.3 . 1 . . . . 154 ILE CA . 19410 1 654 . 1 1 154 154 ILE CB C 13 37.8 0.3 . 1 . . . . 154 ILE CB . 19410 1 655 . 1 1 154 154 ILE N N 15 123.4 0.3 . 1 . . . . 154 ILE N . 19410 1 656 . 1 1 155 155 GLY H H 1 8.34 0.02 . 1 . . . . 155 GLY H . 19410 1 657 . 1 1 155 155 GLY C C 13 174.1 0.3 . 1 . . . . 155 GLY C . 19410 1 658 . 1 1 155 155 GLY CA C 13 44.8 0.3 . 1 . . . . 155 GLY CA . 19410 1 659 . 1 1 155 155 GLY N N 15 112.5 0.3 . 1 . . . . 155 GLY N . 19410 1 660 . 1 1 156 156 THR H H 1 7.92 0.02 . 1 . . . . 156 THR H . 19410 1 661 . 1 1 156 156 THR C C 13 174.3 0.3 . 1 . . . . 156 THR C . 19410 1 662 . 1 1 156 156 THR CA C 13 61.4 0.3 . 1 . . . . 156 THR CA . 19410 1 663 . 1 1 156 156 THR CB C 13 69.7 0.3 . 1 . . . . 156 THR CB . 19410 1 664 . 1 1 156 156 THR N N 15 113.8 0.3 . 1 . . . . 156 THR N . 19410 1 665 . 1 1 157 157 ARG H H 1 8.29 0.02 . 1 . . . . 157 ARG H . 19410 1 666 . 1 1 157 157 ARG C C 13 175.2 0.3 . 1 . . . . 157 ARG C . 19410 1 667 . 1 1 157 157 ARG CA C 13 53.5 0.3 . 1 . . . . 157 ARG CA . 19410 1 668 . 1 1 157 157 ARG CB C 13 29.3 0.3 . 1 . . . . 157 ARG CB . 19410 1 669 . 1 1 157 157 ARG N N 15 124.6 0.3 . 1 . . . . 157 ARG N . 19410 1 670 . 1 1 159 159 ASP H H 1 8.30 0.02 . 1 . . . . 159 ASP H . 19410 1 671 . 1 1 159 159 ASP C C 13 176.2 0.3 . 1 . . . . 159 ASP C . 19410 1 672 . 1 1 159 159 ASP CA C 13 53.8 0.3 . 1 . . . . 159 ASP CA . 19410 1 673 . 1 1 159 159 ASP CB C 13 40.6 0.3 . 1 . . . . 159 ASP CB . 19410 1 674 . 1 1 159 159 ASP N N 15 120.4 0.3 . 1 . . . . 159 ASP N . 19410 1 675 . 1 1 160 160 ASN H H 1 8.29 0.02 . 1 . . . . 160 ASN H . 19410 1 676 . 1 1 160 160 ASN CA C 13 53.0 0.3 . 1 . . . . 160 ASN CA . 19410 1 677 . 1 1 160 160 ASN CB C 13 38.4 0.3 . 1 . . . . 160 ASN CB . 19410 1 678 . 1 1 160 160 ASN N N 15 119.5 0.3 . 1 . . . . 160 ASN N . 19410 1 679 . 1 1 161 161 GLY H H 1 8.43 0.02 . 1 . . . . 161 GLY H . 19410 1 680 . 1 1 161 161 GLY C C 13 174.3 0.3 . 1 . . . . 161 GLY C . 19410 1 681 . 1 1 161 161 GLY CA C 13 45.1 0.3 . 1 . . . . 161 GLY CA . 19410 1 682 . 1 1 161 161 GLY N N 15 109.2 0.3 . 1 . . . . 161 GLY N . 19410 1 683 . 1 1 162 162 MET H H 1 8.06 0.02 . 1 . . . . 162 MET H . 19410 1 684 . 1 1 162 162 MET C C 13 176.4 0.3 . 1 . . . . 162 MET C . 19410 1 685 . 1 1 162 162 MET CA C 13 55.5 0.3 . 1 . . . . 162 MET CA . 19410 1 686 . 1 1 162 162 MET CB C 13 31.8 0.3 . 1 . . . . 162 MET CB . 19410 1 687 . 1 1 162 162 MET N N 15 120.0 0.3 . 1 . . . . 162 MET N . 19410 1 688 . 1 1 163 163 LEU H H 1 8.13 0.02 . 1 . . . . 163 LEU H . 19410 1 689 . 1 1 163 163 LEU C C 13 177.4 0.3 . 1 . . . . 163 LEU C . 19410 1 690 . 1 1 163 163 LEU CA C 13 55.1 0.3 . 1 . . . . 163 LEU CA . 19410 1 691 . 1 1 163 163 LEU CB C 13 41.1 0.3 . 1 . . . . 163 LEU CB . 19410 1 692 . 1 1 163 163 LEU N N 15 122.6 0.3 . 1 . . . . 163 LEU N . 19410 1 693 . 1 1 164 164 SER H H 1 8.11 0.02 . 1 . . . . 164 SER H . 19410 1 694 . 1 1 164 164 SER C C 13 176.4 0.3 . 1 . . . . 164 SER C . 19410 1 695 . 1 1 164 164 SER CA C 13 57.8 0.3 . 1 . . . . 164 SER CA . 19410 1 696 . 1 1 164 164 SER CB C 13 63.0 0.3 . 1 . . . . 164 SER CB . 19410 1 697 . 1 1 164 164 SER N N 15 116.3 0.3 . 1 . . . . 164 SER N . 19410 1 698 . 1 1 165 165 LEU H H 1 8.06 0.02 . 1 . . . . 165 LEU H . 19410 1 699 . 1 1 165 165 LEU CA C 13 55.2 0.3 . 1 . . . . 165 LEU CA . 19410 1 700 . 1 1 165 165 LEU CB C 13 41.0 0.3 . 1 . . . . 165 LEU CB . 19410 1 701 . 1 1 165 165 LEU N N 15 121.4 0.3 . 1 . . . . 165 LEU N . 19410 1 702 . 1 1 166 166 GLY H H 1 8.24 0.02 . 1 . . . . 166 GLY H . 19410 1 703 . 1 1 166 166 GLY C C 13 174.0 0.3 . 1 . . . . 166 GLY C . 19410 1 704 . 1 1 166 166 GLY CA C 13 45.0 0.3 . 1 . . . . 166 GLY CA . 19410 1 705 . 1 1 166 166 GLY N N 15 109.5 0.3 . 1 . . . . 166 GLY N . 19410 1 706 . 1 1 167 167 VAL H H 1 7.81 0.02 . 1 . . . . 167 VAL H . 19410 1 707 . 1 1 167 167 VAL C C 13 176.0 0.3 . 1 . . . . 167 VAL C . 19410 1 708 . 1 1 167 167 VAL CA C 13 61.5 0.3 . 1 . . . . 167 VAL CA . 19410 1 709 . 1 1 167 167 VAL CB C 13 31.5 0.3 . 1 . . . . 167 VAL CB . 19410 1 710 . 1 1 167 167 VAL N N 15 118.8 0.3 . 1 . . . . 167 VAL N . 19410 1 711 . 1 1 168 168 SER H H 1 8.27 0.02 . 1 . . . . 168 SER H . 19410 1 712 . 1 1 168 168 SER C C 13 173.1 0.3 . 1 . . . . 168 SER C . 19410 1 713 . 1 1 168 168 SER CA C 13 55.7 0.3 . 1 . . . . 168 SER CA . 19410 1 714 . 1 1 168 168 SER CB C 13 63.1 0.3 . 1 . . . . 168 SER CB . 19410 1 715 . 1 1 168 168 SER N N 15 120.7 0.3 . 1 . . . . 168 SER N . 19410 1 716 . 1 1 169 169 TYR H H 1 7.80 0.02 . 1 . . . . 169 TYR H . 19410 1 717 . 1 1 169 169 TYR C C 13 174.2 0.3 . 1 . . . . 169 TYR C . 19410 1 718 . 1 1 169 169 TYR CA C 13 55.2 0.3 . 1 . . . . 169 TYR CA . 19410 1 719 . 1 1 169 169 TYR CB C 13 37.6 0.3 . 1 . . . . 169 TYR CB . 19410 1 720 . 1 1 169 169 TYR N N 15 120.9 0.3 . 1 . . . . 169 TYR N . 19410 1 721 . 1 1 170 170 ARG H H 1 8.21 0.02 . 1 . . . . 170 ARG H . 19410 1 722 . 1 1 170 170 ARG C C 13 175.9 0.3 . 1 . . . . 170 ARG C . 19410 1 723 . 1 1 170 170 ARG CA C 13 55.2 0.3 . 1 . . . . 170 ARG CA . 19410 1 724 . 1 1 170 170 ARG CB C 13 30.8 0.3 . 1 . . . . 170 ARG CB . 19410 1 725 . 1 1 170 170 ARG N N 15 122.4 0.3 . 1 . . . . 170 ARG N . 19410 1 726 . 1 1 171 171 PHE H H 1 7.89 0.02 . 1 . . . . 171 PHE H . 19410 1 727 . 1 1 171 171 PHE C C 13 175.7 0.3 . 1 . . . . 171 PHE C . 19410 1 728 . 1 1 171 171 PHE CA C 13 57.6 0.3 . 1 . . . . 171 PHE CA . 19410 1 729 . 1 1 171 171 PHE CB C 13 37.6 0.3 . 1 . . . . 171 PHE CB . 19410 1 730 . 1 1 171 171 PHE N N 15 118.7 0.3 . 1 . . . . 171 PHE N . 19410 1 731 . 1 1 172 172 GLY H H 1 8.34 0.02 . 1 . . . . 172 GLY H . 19410 1 732 . 1 1 172 172 GLY C C 13 173.8 0.3 . 1 . . . . 172 GLY C . 19410 1 733 . 1 1 172 172 GLY CA C 13 45.0 0.3 . 1 . . . . 172 GLY CA . 19410 1 734 . 1 1 172 172 GLY N N 15 111.0 0.3 . 1 . . . . 172 GLY N . 19410 1 735 . 1 1 173 173 GLN H H 1 8.17 0.02 . 1 . . . . 173 GLN H . 19410 1 736 . 1 1 173 173 GLN C C 13 176.5 0.3 . 1 . . . . 173 GLN C . 19410 1 737 . 1 1 173 173 GLN CA C 13 55.5 0.3 . 1 . . . . 173 GLN CA . 19410 1 738 . 1 1 173 173 GLN CB C 13 28.5 0.3 . 1 . . . . 173 GLN CB . 19410 1 739 . 1 1 173 173 GLN N N 15 120.3 0.3 . 1 . . . . 173 GLN N . 19410 1 740 . 1 1 174 174 GLY H H 1 8.38 0.02 . 1 . . . . 174 GLY H . 19410 1 741 . 1 1 174 174 GLY C C 13 173.9 0.3 . 1 . . . . 174 GLY C . 19410 1 742 . 1 1 174 174 GLY CA C 13 44.7 0.3 . 1 . . . . 174 GLY CA . 19410 1 743 . 1 1 174 174 GLY N N 15 110.5 0.3 . 1 . . . . 174 GLY N . 19410 1 744 . 1 1 175 175 GLU H H 1 8.20 0.02 . 1 . . . . 175 GLU H . 19410 1 745 . 1 1 175 175 GLU C C 13 176.1 0.3 . 1 . . . . 175 GLU C . 19410 1 746 . 1 1 175 175 GLU CA C 13 55.9 0.3 . 1 . . . . 175 GLU CA . 19410 1 747 . 1 1 175 175 GLU CB C 13 29.4 0.3 . 1 . . . . 175 GLU CB . 19410 1 748 . 1 1 175 175 GLU N N 15 121.1 0.3 . 1 . . . . 175 GLU N . 19410 1 749 . 1 1 176 176 ALA H H 1 8.22 0.02 . 1 . . . . 176 ALA H . 19410 1 750 . 1 1 176 176 ALA C C 13 176.2 0.3 . 1 . . . . 176 ALA C . 19410 1 751 . 1 1 176 176 ALA CA C 13 51.8 0.3 . 1 . . . . 176 ALA CA . 19410 1 752 . 1 1 176 176 ALA CB C 13 18.2 0.3 . 1 . . . . 176 ALA CB . 19410 1 753 . 1 1 176 176 ALA N N 15 125.7 0.3 . 1 . . . . 176 ALA N . 19410 1 754 . 1 1 177 177 ALA H H 1 7.77 0.02 . 1 . . . . 177 ALA H . 19410 1 755 . 1 1 177 177 ALA C C 13 172.5 0.3 . 1 . . . . 177 ALA C . 19410 1 756 . 1 1 177 177 ALA CA C 13 53.3 0.3 . 1 . . . . 177 ALA CA . 19410 1 757 . 1 1 177 177 ALA CB C 13 19.2 0.3 . 1 . . . . 177 ALA CB . 19410 1 758 . 1 1 177 177 ALA N N 15 129.6 0.3 . 1 . . . . 177 ALA N . 19410 1 stop_ save_