data_17437 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17437 _Entry.Title ; 1H, 13C and 15N backbone chemical shift assignments of the UBC domain of Ube2S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-31 _Entry.Accession_date 2011-01-31 _Entry.Last_release_date 2011-03-09 _Entry.Original_release_date 2011-03-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sonja Lorenz . G. . 17437 2 David Wemmer . E. . 17437 3 John Kuriyan . . . 17437 4 Jeffrey Pelton . G. . 17437 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17437 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 262 17437 '15N chemical shifts' 136 17437 '1H chemical shifts' 136 17437 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-03-09 2011-01-31 original author . 17437 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17437 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21376237 _Citation.Full_citation . _Citation.Title 'The mechanism of linkage-specific ubiquitin chain elongation by a single-subunit e2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 144 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 769 _Citation.Page_last 781 _Citation.Year 2011 _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 Katherine Wickliffe . E. . 17437 1 2 Sonja Lorenz . . . 17437 1 3 David Wemmer . E. . 17437 1 4 John Kuriyan . . . 17437 1 5 Michael Rape . . . 17437 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID E2 17437 1 'K11-linked chain' 17437 1 'substrate-assisted catalysis' 17437 1 ubiquitin 17437 1 ubiquitination 17437 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17437 _Assembly.ID 1 _Assembly.Name Ube2S _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 17369 _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 Ube2S 1 $Ube2S A . yes native no no . 'only component' . 17437 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ZDN . . X-ray 1.93 'same fragment of Ube2S as used here' . 17437 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ube2S _Entity.Sf_category entity _Entity.Sf_framecode Ube2S _Entity.Entry_ID 17437 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ube2S _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 ; MNSNVENLPPHIIRLVYKEV TTLTADPPDGIKVFPNEEDL TDLQVTIEGPEGTPYAGGLF RMKLLLGKDFPASPPKGYFL TKIFHPNVGANGEICVNVLK RDWTAELGIRHVLLTIKCLL IHPNPESALNEEAGRLLLEN YEEYAARARLLTEIHG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'UBC domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17369 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ZDN . "Ubiquitin-Conjugating Enzyme E2s" . . . . . 100.00 158 100.00 100.00 4.46e-108 . . . . 17437 1 2 no DBJ BAB93484 . "ubiquitin carrier protein [Homo sapiens]" . . . . . 100.00 222 100.00 100.00 1.58e-108 . . . . 17437 1 3 no DBJ BAC25019 . "unnamed protein product [Mus musculus]" . . . . . 100.00 223 99.36 99.36 7.20e-108 . . . . 17437 1 4 no DBJ BAC25523 . "unnamed protein product [Mus musculus]" . . . . . 100.00 223 99.36 99.36 6.32e-108 . . . . 17437 1 5 no DBJ BAE27035 . "unnamed protein product [Mus musculus]" . . . . . 100.00 223 99.36 99.36 6.32e-108 . . . . 17437 1 6 no DBJ BAE32323 . "unnamed protein product [Mus musculus]" . . . . . 100.00 223 99.36 99.36 6.32e-108 . . . . 17437 1 7 no GB AAA58446 . "ubiquitin carrier protein [Homo sapiens]" . . . . . 100.00 225 100.00 100.00 1.45e-108 . . . . 17437 1 8 no GB AAH04236 . "Ubiquitin-conjugating enzyme E2S [Homo sapiens]" . . . . . 100.00 222 100.00 100.00 1.58e-108 . . . . 17437 1 9 no GB AAH07554 . "Ubiquitin-conjugating enzyme E2S [Homo sapiens]" . . . . . 100.00 222 100.00 100.00 1.58e-108 . . . . 17437 1 10 no GB AAH12255 . "Ubiquitin-conjugating enzyme E2S [Mus musculus]" . . . . . 100.00 223 99.36 99.36 6.32e-108 . . . . 17437 1 11 no GB AAH30171 . "Ubiquitin-conjugating enzyme E2S [Mus musculus]" . . . . . 100.00 223 99.36 99.36 6.32e-108 . . . . 17437 1 12 no PIR B42856 . "ubiquitin carrier protein E2 - human" . . . . . 100.00 247 100.00 100.00 9.30e-109 . . . . 17437 1 13 no REF NP_001069940 . "ubiquitin-conjugating enzyme E2 S [Bos taurus]" . . . . . 100.00 223 100.00 100.00 1.30e-108 . . . . 17437 1 14 no REF NP_001091235 . "ubiquitin-conjugating enzyme E2 S-A [Xenopus laevis]" . . . . . 100.00 223 99.36 99.36 6.32e-108 . . . . 17437 1 15 no REF NP_001099694 . "ubiquitin-conjugating enzyme E2 S [Rattus norvegicus]" . . . . . 100.00 223 99.36 99.36 5.31e-108 . . . . 17437 1 16 no REF NP_001252933 . "ubiquitin-conjugating enzyme E2 S [Macaca mulatta]" . . . . . 100.00 222 100.00 100.00 1.08e-108 . . . . 17437 1 17 no REF NP_001273893 . "ubiquitin-conjugating enzyme E2 S [Canis lupus familiaris]" . . . . . 100.00 223 100.00 100.00 8.29e-109 . . . . 17437 1 18 no SP A1L3K1 . "RecName: Full=Ubiquitin-conjugating enzyme E2 S-A; AltName: Full=E2 ubiquitin-conjugating enzyme S-A; AltName: Full=Ubiquitin c" . . . . . 100.00 223 99.36 99.36 6.32e-108 . . . . 17437 1 19 no SP B5DFI8 . "RecName: Full=Ubiquitin-conjugating enzyme E2 S; AltName: Full=E2 ubiquitin-conjugating enzyme S; AltName: Full=Ubiquitin carri" . . . . . 100.00 223 99.36 99.36 5.31e-108 . . . . 17437 1 20 no SP Q16763 . "RecName: Full=Ubiquitin-conjugating enzyme E2 S; AltName: Full=E2 ubiquitin-conjugating enzyme S; AltName: Full=E2-EPF; AltName" . . . . . 100.00 222 100.00 100.00 1.58e-108 . . . . 17437 1 21 no SP Q1RML1 . "RecName: Full=Ubiquitin-conjugating enzyme E2 S; AltName: Full=E2 ubiquitin-conjugating enzyme S; AltName: Full=Ubiquitin carri" . . . . . 100.00 223 100.00 100.00 1.67e-108 . . . . 17437 1 22 no SP Q921J4 . "RecName: Full=Ubiquitin-conjugating enzyme E2 S; AltName: Full=E2 ubiquitin-conjugating enzyme S; AltName: Full=Ubiquitin carri" . . . . . 100.00 223 99.36 99.36 6.32e-108 . . . . 17437 1 23 no TPG DAA19381 . "TPA: ubiquitin-conjugating enzyme E2 S [Bos taurus]" . . . . . 100.00 223 100.00 100.00 1.67e-108 . . . . 17437 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ubiquitin conjugating enzyme (E2)' 17437 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 . 17437 1 2 . ASN . 17437 1 3 . SER . 17437 1 4 . ASN . 17437 1 5 . VAL . 17437 1 6 . GLU . 17437 1 7 . ASN . 17437 1 8 . LEU . 17437 1 9 . PRO . 17437 1 10 . PRO . 17437 1 11 . HIS . 17437 1 12 . ILE . 17437 1 13 . ILE . 17437 1 14 . ARG . 17437 1 15 . LEU . 17437 1 16 . VAL . 17437 1 17 . TYR . 17437 1 18 . LYS . 17437 1 19 . GLU . 17437 1 20 . VAL . 17437 1 21 . THR . 17437 1 22 . THR . 17437 1 23 . LEU . 17437 1 24 . THR . 17437 1 25 . ALA . 17437 1 26 . ASP . 17437 1 27 . PRO . 17437 1 28 . PRO . 17437 1 29 . ASP . 17437 1 30 . GLY . 17437 1 31 . ILE . 17437 1 32 . LYS . 17437 1 33 . VAL . 17437 1 34 . PHE . 17437 1 35 . PRO . 17437 1 36 . ASN . 17437 1 37 . GLU . 17437 1 38 . GLU . 17437 1 39 . ASP . 17437 1 40 . LEU . 17437 1 41 . THR . 17437 1 42 . ASP . 17437 1 43 . LEU . 17437 1 44 . GLN . 17437 1 45 . VAL . 17437 1 46 . THR . 17437 1 47 . ILE . 17437 1 48 . GLU . 17437 1 49 . GLY . 17437 1 50 . PRO . 17437 1 51 . GLU . 17437 1 52 . GLY . 17437 1 53 . THR . 17437 1 54 . PRO . 17437 1 55 . TYR . 17437 1 56 . ALA . 17437 1 57 . GLY . 17437 1 58 . GLY . 17437 1 59 . LEU . 17437 1 60 . PHE . 17437 1 61 . ARG . 17437 1 62 . MET . 17437 1 63 . LYS . 17437 1 64 . LEU . 17437 1 65 . LEU . 17437 1 66 . LEU . 17437 1 67 . GLY . 17437 1 68 . LYS . 17437 1 69 . ASP . 17437 1 70 . PHE . 17437 1 71 . PRO . 17437 1 72 . ALA . 17437 1 73 . SER . 17437 1 74 . PRO . 17437 1 75 . PRO . 17437 1 76 . LYS . 17437 1 77 . GLY . 17437 1 78 . TYR . 17437 1 79 . PHE . 17437 1 80 . LEU . 17437 1 81 . THR . 17437 1 82 . LYS . 17437 1 83 . ILE . 17437 1 84 . PHE . 17437 1 85 . HIS . 17437 1 86 . PRO . 17437 1 87 . ASN . 17437 1 88 . VAL . 17437 1 89 . GLY . 17437 1 90 . ALA . 17437 1 91 . ASN . 17437 1 92 . GLY . 17437 1 93 . GLU . 17437 1 94 . ILE . 17437 1 95 . CYS . 17437 1 96 . VAL . 17437 1 97 . ASN . 17437 1 98 . VAL . 17437 1 99 . LEU . 17437 1 100 . LYS . 17437 1 101 . ARG . 17437 1 102 . ASP . 17437 1 103 . TRP . 17437 1 104 . THR . 17437 1 105 . ALA . 17437 1 106 . GLU . 17437 1 107 . LEU . 17437 1 108 . GLY . 17437 1 109 . ILE . 17437 1 110 . ARG . 17437 1 111 . HIS . 17437 1 112 . VAL . 17437 1 113 . LEU . 17437 1 114 . LEU . 17437 1 115 . THR . 17437 1 116 . ILE . 17437 1 117 . LYS . 17437 1 118 . CYS . 17437 1 119 . LEU . 17437 1 120 . LEU . 17437 1 121 . ILE . 17437 1 122 . HIS . 17437 1 123 . PRO . 17437 1 124 . ASN . 17437 1 125 . PRO . 17437 1 126 . GLU . 17437 1 127 . SER . 17437 1 128 . ALA . 17437 1 129 . LEU . 17437 1 130 . ASN . 17437 1 131 . GLU . 17437 1 132 . GLU . 17437 1 133 . ALA . 17437 1 134 . GLY . 17437 1 135 . ARG . 17437 1 136 . LEU . 17437 1 137 . LEU . 17437 1 138 . LEU . 17437 1 139 . GLU . 17437 1 140 . ASN . 17437 1 141 . TYR . 17437 1 142 . GLU . 17437 1 143 . GLU . 17437 1 144 . TYR . 17437 1 145 . ALA . 17437 1 146 . ALA . 17437 1 147 . ARG . 17437 1 148 . ALA . 17437 1 149 . ARG . 17437 1 150 . LEU . 17437 1 151 . LEU . 17437 1 152 . THR . 17437 1 153 . GLU . 17437 1 154 . ILE . 17437 1 155 . HIS . 17437 1 156 . GLY . 17437 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 17437 1 . ASN 2 2 17437 1 . SER 3 3 17437 1 . ASN 4 4 17437 1 . VAL 5 5 17437 1 . GLU 6 6 17437 1 . ASN 7 7 17437 1 . LEU 8 8 17437 1 . PRO 9 9 17437 1 . PRO 10 10 17437 1 . HIS 11 11 17437 1 . ILE 12 12 17437 1 . ILE 13 13 17437 1 . ARG 14 14 17437 1 . LEU 15 15 17437 1 . VAL 16 16 17437 1 . TYR 17 17 17437 1 . LYS 18 18 17437 1 . GLU 19 19 17437 1 . VAL 20 20 17437 1 . THR 21 21 17437 1 . THR 22 22 17437 1 . LEU 23 23 17437 1 . THR 24 24 17437 1 . ALA 25 25 17437 1 . ASP 26 26 17437 1 . PRO 27 27 17437 1 . PRO 28 28 17437 1 . ASP 29 29 17437 1 . GLY 30 30 17437 1 . ILE 31 31 17437 1 . LYS 32 32 17437 1 . VAL 33 33 17437 1 . PHE 34 34 17437 1 . PRO 35 35 17437 1 . ASN 36 36 17437 1 . GLU 37 37 17437 1 . GLU 38 38 17437 1 . ASP 39 39 17437 1 . LEU 40 40 17437 1 . THR 41 41 17437 1 . ASP 42 42 17437 1 . LEU 43 43 17437 1 . GLN 44 44 17437 1 . VAL 45 45 17437 1 . THR 46 46 17437 1 . ILE 47 47 17437 1 . GLU 48 48 17437 1 . GLY 49 49 17437 1 . PRO 50 50 17437 1 . GLU 51 51 17437 1 . GLY 52 52 17437 1 . THR 53 53 17437 1 . PRO 54 54 17437 1 . TYR 55 55 17437 1 . ALA 56 56 17437 1 . GLY 57 57 17437 1 . GLY 58 58 17437 1 . LEU 59 59 17437 1 . PHE 60 60 17437 1 . ARG 61 61 17437 1 . MET 62 62 17437 1 . LYS 63 63 17437 1 . LEU 64 64 17437 1 . LEU 65 65 17437 1 . LEU 66 66 17437 1 . GLY 67 67 17437 1 . LYS 68 68 17437 1 . ASP 69 69 17437 1 . PHE 70 70 17437 1 . PRO 71 71 17437 1 . ALA 72 72 17437 1 . SER 73 73 17437 1 . PRO 74 74 17437 1 . PRO 75 75 17437 1 . LYS 76 76 17437 1 . GLY 77 77 17437 1 . TYR 78 78 17437 1 . PHE 79 79 17437 1 . LEU 80 80 17437 1 . THR 81 81 17437 1 . LYS 82 82 17437 1 . ILE 83 83 17437 1 . PHE 84 84 17437 1 . HIS 85 85 17437 1 . PRO 86 86 17437 1 . ASN 87 87 17437 1 . VAL 88 88 17437 1 . GLY 89 89 17437 1 . ALA 90 90 17437 1 . ASN 91 91 17437 1 . GLY 92 92 17437 1 . GLU 93 93 17437 1 . ILE 94 94 17437 1 . CYS 95 95 17437 1 . VAL 96 96 17437 1 . ASN 97 97 17437 1 . VAL 98 98 17437 1 . LEU 99 99 17437 1 . LYS 100 100 17437 1 . ARG 101 101 17437 1 . ASP 102 102 17437 1 . TRP 103 103 17437 1 . THR 104 104 17437 1 . ALA 105 105 17437 1 . GLU 106 106 17437 1 . LEU 107 107 17437 1 . GLY 108 108 17437 1 . ILE 109 109 17437 1 . ARG 110 110 17437 1 . HIS 111 111 17437 1 . VAL 112 112 17437 1 . LEU 113 113 17437 1 . LEU 114 114 17437 1 . THR 115 115 17437 1 . ILE 116 116 17437 1 . LYS 117 117 17437 1 . CYS 118 118 17437 1 . LEU 119 119 17437 1 . LEU 120 120 17437 1 . ILE 121 121 17437 1 . HIS 122 122 17437 1 . PRO 123 123 17437 1 . ASN 124 124 17437 1 . PRO 125 125 17437 1 . GLU 126 126 17437 1 . SER 127 127 17437 1 . ALA 128 128 17437 1 . LEU 129 129 17437 1 . ASN 130 130 17437 1 . GLU 131 131 17437 1 . GLU 132 132 17437 1 . ALA 133 133 17437 1 . GLY 134 134 17437 1 . ARG 135 135 17437 1 . LEU 136 136 17437 1 . LEU 137 137 17437 1 . LEU 138 138 17437 1 . GLU 139 139 17437 1 . ASN 140 140 17437 1 . TYR 141 141 17437 1 . GLU 142 142 17437 1 . GLU 143 143 17437 1 . TYR 144 144 17437 1 . ALA 145 145 17437 1 . ALA 146 146 17437 1 . ARG 147 147 17437 1 . ALA 148 148 17437 1 . ARG 149 149 17437 1 . LEU 150 150 17437 1 . LEU 151 151 17437 1 . THR 152 152 17437 1 . GLU 153 153 17437 1 . ILE 154 154 17437 1 . HIS 155 155 17437 1 . GLY 156 156 17437 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17437 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ube2S . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17437 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 17437 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ube2S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'SMT3- based system (LifeSensors)' . . . ; gene was sub-cloned into a vector encoding a cleavable N-terminal hexa-His/SMT3- tag by ligation-free methods ; . . 17437 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17437 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Ube2S '[U-99% 13C; U-99% 15N]' . . 1 $Ube2S . . 804 . . uM . . . . 17437 1 2 'sodium phosphate' 'natural abundance' . . . . . . 75mM . . mM . . . . 17437 1 3 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 17437 1 4 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 17437 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 17437 1 6 H2O 'natural abundance' . . . . . . 92.5 . . % . . . . 17437 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17437 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Ube2S '[U-99% 13C; U-99% 15N]' . . 1 $Ube2S . . 400 . . uM . . . . 17437 2 2 'sodium phosphate' 'natural abundance' . . . . . . 75mM . . mM . . . . 17437 2 3 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 17437 2 4 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 17437 2 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 17437 2 6 H2O 'natural abundance' . . . . . . 92.5 . . % . . . . 17437 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17437 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Ube2S '[U-99% 13C; U-99% 15N]' . . 1 $Ube2S . . 1.00 . . mM . . . . 17437 3 2 'sodium phosphate' 'natural abundance' . . . . . . 75mM . . mM . . . . 17437 3 3 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 17437 3 4 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 17437 3 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 17437 3 6 H2O 'natural abundance' . . . . . . 92.5 . . % . . . . 17437 3 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 17437 _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' 185 . mM 17437 1 pH 7.2 . pH 17437 1 pressure 1 . atm 17437 1 temperature 298 . K 17437 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17437 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17437 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17437 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17437 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17437 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17437 2 'peak picking' 17437 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17437 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17437 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17437 3 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 17437 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17437 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17437 _NMR_spectrometer.ID 3 _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 17437 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 17437 1 2 spectrometer_2 Bruker Avance . 600 . . . 17437 1 3 spectrometer_3 Bruker Avance . 800 . . . 17437 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 17437 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17437 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17437 1 3 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17437 1 4 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17437 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17437 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 17437 _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 . . . 1 $citation_1 . . 1 $citation_1 17437 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 17437 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 17437 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 17437 _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 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '3D CBCA(CO)NH' . . . 17437 1 2 '3D HNCACB' . . . 17437 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN H H 1 8.555 0.02 . 1 . . . . 2 asn H . 17437 1 2 . 1 1 2 2 ASN CA C 13 53.272 0.2 . 1 . . . . 2 asn CA . 17437 1 3 . 1 1 2 2 ASN CB C 13 38.974 0.2 . 1 . . . . 2 asn CB . 17437 1 4 . 1 1 2 2 ASN N N 15 119.051 0.1 . 1 . . . . 2 asn N . 17437 1 5 . 1 1 3 3 SER H H 1 8.519 0.02 . 1 . . . . 3 ser H . 17437 1 6 . 1 1 3 3 SER CA C 13 58.508 0.2 . 1 . . . . 3 ser CA . 17437 1 7 . 1 1 3 3 SER CB C 13 63.770 0.2 . 1 . . . . 3 ser CB . 17437 1 8 . 1 1 3 3 SER N N 15 116.869 0.1 . 1 . . . . 3 ser N . 17437 1 9 . 1 1 4 4 ASN H H 1 8.564 0.02 . 1 . . . . 4 asn H . 17437 1 10 . 1 1 4 4 ASN CA C 13 53.675 0.2 . 1 . . . . 4 asn CA . 17437 1 11 . 1 1 4 4 ASN CB C 13 38.725 0.2 . 1 . . . . 4 asn CB . 17437 1 12 . 1 1 4 4 ASN N N 15 120.872 0.1 . 1 . . . . 4 asn N . 17437 1 13 . 1 1 5 5 VAL H H 1 8.055 0.02 . 1 . . . . 5 val H . 17437 1 14 . 1 1 5 5 VAL CA C 13 62.914 0.2 . 1 . . . . 5 val CA . 17437 1 15 . 1 1 5 5 VAL CB C 13 32.553 0.2 . 1 . . . . 5 val CB . 17437 1 16 . 1 1 5 5 VAL N N 15 119.650 0.1 . 1 . . . . 5 val N . 17437 1 17 . 1 1 6 6 GLU H H 1 8.342 0.02 . 1 . . . . 6 glu H . 17437 1 18 . 1 1 6 6 GLU CA C 13 56.596 0.2 . 1 . . . . 6 glu CA . 17437 1 19 . 1 1 6 6 GLU CB C 13 30.225 0.2 . 1 . . . . 6 glu CB . 17437 1 20 . 1 1 6 6 GLU N N 15 122.698 0.1 . 1 . . . . 6 glu N . 17437 1 21 . 1 1 7 7 ASN H H 1 8.280 0.02 . 1 . . . . 7 asn H . 17437 1 22 . 1 1 7 7 ASN CA C 13 53.276 0.2 . 1 . . . . 7 asn CA . 17437 1 23 . 1 1 7 7 ASN CB C 13 38.947 0.2 . 1 . . . . 7 asn CB . 17437 1 24 . 1 1 7 7 ASN N N 15 118.755 0.1 . 1 . . . . 7 asn N . 17437 1 25 . 1 1 8 8 LEU H H 1 8.170 0.02 . 1 . . . . 8 leu H . 17437 1 26 . 1 1 8 8 LEU N N 15 121.856 0.1 . 1 . . . . 8 leu N . 17437 1 27 . 1 1 10 10 PRO CA C 13 65.805 0.2 . 1 . . . . 10 pro CA . 17437 1 28 . 1 1 10 10 PRO CB C 13 32.262 0.2 . 1 . . . . 10 pro CB . 17437 1 29 . 1 1 11 11 HIS H H 1 8.459 0.02 . 1 . . . . 11 his H . 17437 1 30 . 1 1 11 11 HIS CA C 13 59.204 0.2 . 1 . . . . 11 his CA . 17437 1 31 . 1 1 11 11 HIS CB C 13 29.421 0.2 . 1 . . . . 11 his CB . 17437 1 32 . 1 1 11 11 HIS N N 15 113.796 0.1 . 1 . . . . 11 his N . 17437 1 33 . 1 1 12 12 ILE H H 1 7.027 0.02 . 1 . . . . 12 ile H . 17437 1 34 . 1 1 12 12 ILE CA C 13 61.574 0.2 . 1 . . . . 12 ile CA . 17437 1 35 . 1 1 12 12 ILE CB C 13 36.090 0.2 . 1 . . . . 12 ile CB . 17437 1 36 . 1 1 12 12 ILE N N 15 122.358 0.1 . 1 . . . . 12 ile N . 17437 1 37 . 1 1 13 13 ILE H H 1 7.727 0.02 . 1 . . . . 13 ile H . 17437 1 38 . 1 1 13 13 ILE CA C 13 64.603 0.2 . 1 . . . . 13 ile CA . 17437 1 39 . 1 1 13 13 ILE CB C 13 36.933 0.2 . 1 . . . . 13 ile CB . 17437 1 40 . 1 1 13 13 ILE N N 15 121.387 0.1 . 1 . . . . 13 ile N . 17437 1 41 . 1 1 14 14 ARG H H 1 7.773 0.02 . 1 . . . . 14 arg H . 17437 1 42 . 1 1 14 14 ARG CA C 13 59.642 0.2 . 1 . . . . 14 arg CA . 17437 1 43 . 1 1 14 14 ARG CB C 13 30.185 0.2 . 1 . . . . 14 arg CB . 17437 1 44 . 1 1 14 14 ARG N N 15 116.718 0.1 . 1 . . . . 14 arg N . 17437 1 45 . 1 1 15 15 LEU H H 1 7.380 0.02 . 1 . . . . 15 leu H . 17437 1 46 . 1 1 15 15 LEU CA C 13 58.284 0.2 . 1 . . . . 15 leu CA . 17437 1 47 . 1 1 15 15 LEU CB C 13 42.417 0.2 . 1 . . . . 15 leu CB . 17437 1 48 . 1 1 15 15 LEU N N 15 120.649 0.1 . 1 . . . . 15 leu N . 17437 1 49 . 1 1 16 16 VAL H H 1 8.629 0.02 . 1 . . . . 16 val H . 17437 1 50 . 1 1 16 16 VAL CA C 13 66.930 0.2 . 1 . . . . 16 val CA . 17437 1 51 . 1 1 16 16 VAL CB C 13 31.747 0.2 . 1 . . . . 16 val CB . 17437 1 52 . 1 1 16 16 VAL N N 15 121.469 0.1 . 1 . . . . 16 val N . 17437 1 53 . 1 1 17 17 TYR H H 1 8.938 0.02 . 1 . . . . 17 tyr H . 17437 1 54 . 1 1 17 17 TYR CA C 13 62.091 0.2 . 1 . . . . 17 tyr CA . 17437 1 55 . 1 1 17 17 TYR CB C 13 37.994 0.2 . 1 . . . . 17 tyr CB . 17437 1 56 . 1 1 17 17 TYR N N 15 119.955 0.1 . 1 . . . . 17 tyr N . 17437 1 57 . 1 1 18 18 LYS H H 1 8.133 0.02 . 1 . . . . 18 lys H . 17437 1 58 . 1 1 18 18 LYS CA C 13 59.658 0.2 . 1 . . . . 18 lys CA . 17437 1 59 . 1 1 18 18 LYS CB C 13 32.256 0.2 . 1 . . . . 18 lys CB . 17437 1 60 . 1 1 18 18 LYS N N 15 120.129 0.1 . 1 . . . . 18 lys N . 17437 1 61 . 1 1 19 19 GLU H H 1 8.134 0.02 . 1 . . . . 19 glu H . 17437 1 62 . 1 1 19 19 GLU CA C 13 59.926 0.2 . 1 . . . . 19 glu CA . 17437 1 63 . 1 1 19 19 GLU CB C 13 29.599 0.2 . 1 . . . . 19 glu CB . 17437 1 64 . 1 1 19 19 GLU N N 15 120.426 0.1 . 1 . . . . 19 glu N . 17437 1 65 . 1 1 20 20 VAL H H 1 9.258 0.02 . 1 . . . . 20 val H . 17437 1 66 . 1 1 20 20 VAL CA C 13 67.585 0.2 . 1 . . . . 20 val CA . 17437 1 67 . 1 1 20 20 VAL CB C 13 31.349 0.2 . 1 . . . . 20 val CB . 17437 1 68 . 1 1 20 20 VAL N N 15 119.164 0.1 . 1 . . . . 20 val N . 17437 1 69 . 1 1 21 21 THR H H 1 8.159 0.02 . 1 . . . . 21 thr H . 17437 1 70 . 1 1 21 21 THR CA C 13 66.913 0.2 . 1 . . . . 21 thr CA . 17437 1 71 . 1 1 21 21 THR CB C 13 68.440 0.2 . 1 . . . . 21 thr CB . 17437 1 72 . 1 1 21 21 THR N N 15 116.211 0.1 . 1 . . . . 21 thr N . 17437 1 73 . 1 1 22 22 THR H H 1 7.728 0.02 . 1 . . . . 22 thr H . 17437 1 74 . 1 1 22 22 THR CA C 13 66.037 0.2 . 1 . . . . 22 thr CA . 17437 1 75 . 1 1 22 22 THR CB C 13 68.746 0.2 . 1 . . . . 22 thr CB . 17437 1 76 . 1 1 22 22 THR N N 15 117.351 0.1 . 1 . . . . 22 thr N . 17437 1 77 . 1 1 23 23 LEU H H 1 8.159 0.02 . 1 . . . . 23 leu H . 17437 1 78 . 1 1 23 23 LEU CA C 13 57.342 0.2 . 1 . . . . 23 leu CA . 17437 1 79 . 1 1 23 23 LEU CB C 13 42.997 0.2 . 1 . . . . 23 leu CB . 17437 1 80 . 1 1 23 23 LEU N N 15 122.773 0.1 . 1 . . . . 23 leu N . 17437 1 81 . 1 1 24 24 THR H H 1 7.935 0.02 . 1 . . . . 24 thr H . 17437 1 82 . 1 1 24 24 THR CA C 13 65.038 0.2 . 1 . . . . 24 thr CA . 17437 1 83 . 1 1 24 24 THR CB C 13 68.747 0.2 . 1 . . . . 24 thr CB . 17437 1 84 . 1 1 24 24 THR N N 15 110.750 0.1 . 1 . . . . 24 thr N . 17437 1 85 . 1 1 25 25 ALA H H 1 7.238 0.02 . 1 . . . . 25 ala H . 17437 1 86 . 1 1 25 25 ALA CA C 13 53.870 0.2 . 1 . . . . 25 ala CA . 17437 1 87 . 1 1 25 25 ALA CB C 13 19.432 0.2 . 1 . . . . 25 ala CB . 17437 1 88 . 1 1 25 25 ALA N N 15 122.782 0.1 . 1 . . . . 25 ala N . 17437 1 89 . 1 1 26 26 ASP H H 1 7.802 0.02 . 1 . . . . 26 asp H . 17437 1 90 . 1 1 26 26 ASP N N 15 115.672 0.1 . 1 . . . . 26 asp N . 17437 1 91 . 1 1 28 28 PRO CA C 13 61.657 0.2 . 1 . . . . 28 pro CA . 17437 1 92 . 1 1 28 28 PRO CB C 13 31.461 0.2 . 1 . . . . 28 pro CB . 17437 1 93 . 1 1 29 29 ASP H H 1 8.288 0.02 . 1 . . . . 29 asp H . 17437 1 94 . 1 1 29 29 ASP CA C 13 55.999 0.2 . 1 . . . . 29 asp CA . 17437 1 95 . 1 1 29 29 ASP CB C 13 40.756 0.2 . 1 . . . . 29 asp CB . 17437 1 96 . 1 1 29 29 ASP N N 15 120.285 0.1 . 1 . . . . 29 asp N . 17437 1 97 . 1 1 30 30 GLY H H 1 8.677 0.02 . 1 . . . . 30 gly H . 17437 1 98 . 1 1 30 30 GLY CA C 13 45.747 0.2 . 1 . . . . 30 gly CA . 17437 1 99 . 1 1 30 30 GLY N N 15 112.211 0.1 . 1 . . . . 30 gly N . 17437 1 100 . 1 1 31 31 ILE H H 1 7.882 0.02 . 1 . . . . 31 ile H . 17437 1 101 . 1 1 31 31 ILE CA C 13 59.747 0.2 . 1 . . . . 31 ile CA . 17437 1 102 . 1 1 31 31 ILE CB C 13 40.241 0.2 . 1 . . . . 31 ile CB . 17437 1 103 . 1 1 31 31 ILE N N 15 121.526 0.1 . 1 . . . . 31 ile N . 17437 1 104 . 1 1 32 32 LYS H H 1 8.438 0.02 . 1 . . . . 32 lys H . 17437 1 105 . 1 1 32 32 LYS CA C 13 54.706 0.2 . 1 . . . . 32 lys CA . 17437 1 106 . 1 1 32 32 LYS CB C 13 36.475 0.2 . 1 . . . . 32 lys CB . 17437 1 107 . 1 1 32 32 LYS N N 15 125.009 0.1 . 1 . . . . 32 lys N . 17437 1 108 . 1 1 33 33 VAL H H 1 8.367 0.02 . 1 . . . . 33 val H . 17437 1 109 . 1 1 33 33 VAL CA C 13 60.562 0.2 . 1 . . . . 33 val CA . 17437 1 110 . 1 1 33 33 VAL CB C 13 33.815 0.2 . 1 . . . . 33 val CB . 17437 1 111 . 1 1 33 33 VAL N N 15 118.863 0.1 . 1 . . . . 33 val N . 17437 1 112 . 1 1 34 34 PHE H H 1 8.658 0.02 . 1 . . . . 34 phe H . 17437 1 113 . 1 1 34 34 PHE N N 15 122.976 0.1 . 1 . . . . 34 phe N . 17437 1 114 . 1 1 35 35 PRO CA C 13 62.914 0.2 . 1 . . . . 35 pro CA . 17437 1 115 . 1 1 35 35 PRO CB C 13 32.548 0.2 . 1 . . . . 35 pro CB . 17437 1 116 . 1 1 36 36 ASN H H 1 8.968 0.02 . 1 . . . . 36 asn H . 17437 1 117 . 1 1 36 36 ASN CA C 13 52.156 0.2 . 1 . . . . 36 asn CA . 17437 1 118 . 1 1 36 36 ASN CB C 13 39.030 0.2 . 1 . . . . 36 asn CB . 17437 1 119 . 1 1 36 36 ASN N N 15 121.594 0.1 . 1 . . . . 36 asn N . 17437 1 120 . 1 1 37 37 GLU H H 1 9.048 0.02 . 1 . . . . 37 glu H . 17437 1 121 . 1 1 37 37 GLU CA C 13 58.894 0.2 . 1 . . . . 37 glu CA . 17437 1 122 . 1 1 37 37 GLU CB C 13 30.377 0.2 . 1 . . . . 37 glu CB . 17437 1 123 . 1 1 37 37 GLU N N 15 123.954 0.1 . 1 . . . . 37 glu N . 17437 1 124 . 1 1 38 38 GLU H H 1 8.151 0.02 . 1 . . . . 38 glu H . 17437 1 125 . 1 1 38 38 GLU CA C 13 57.097 0.2 . 1 . . . . 38 glu CA . 17437 1 126 . 1 1 38 38 GLU CB C 13 30.252 0.2 . 1 . . . . 38 glu CB . 17437 1 127 . 1 1 38 38 GLU N N 15 116.233 0.1 . 1 . . . . 38 glu N . 17437 1 128 . 1 1 39 39 ASP H H 1 7.544 0.02 . 1 . . . . 39 asp H . 17437 1 129 . 1 1 39 39 ASP CA C 13 53.758 0.2 . 1 . . . . 39 asp CA . 17437 1 130 . 1 1 39 39 ASP CB C 13 40.581 0.2 . 1 . . . . 39 asp CB . 17437 1 131 . 1 1 39 39 ASP N N 15 117.431 0.1 . 1 . . . . 39 asp N . 17437 1 132 . 1 1 40 40 LEU H H 1 8.691 0.02 . 1 . . . . 40 leu H . 17437 1 133 . 1 1 40 40 LEU CA C 13 56.126 0.2 . 1 . . . . 40 leu CA . 17437 1 134 . 1 1 40 40 LEU CB C 13 42.056 0.2 . 1 . . . . 40 leu CB . 17437 1 135 . 1 1 40 40 LEU N N 15 125.952 0.1 . 1 . . . . 40 leu N . 17437 1 136 . 1 1 41 41 THR H H 1 8.004 0.02 . 1 . . . . 41 thr H . 17437 1 137 . 1 1 41 41 THR CA C 13 62.622 0.2 . 1 . . . . 41 thr CA . 17437 1 138 . 1 1 41 41 THR CB C 13 69.177 0.2 . 1 . . . . 41 thr CB . 17437 1 139 . 1 1 41 41 THR N N 15 103.412 0.1 . 1 . . . . 41 thr N . 17437 1 140 . 1 1 42 42 ASP H H 1 7.152 0.02 . 1 . . . . 42 asp H . 17437 1 141 . 1 1 42 42 ASP CA C 13 52.722 0.2 . 1 . . . . 42 asp CA . 17437 1 142 . 1 1 42 42 ASP CB C 13 42.275 0.2 . 1 . . . . 42 asp CB . 17437 1 143 . 1 1 42 42 ASP N N 15 122.203 0.1 . 1 . . . . 42 asp N . 17437 1 144 . 1 1 43 43 LEU H H 1 8.671 0.02 . 1 . . . . 43 leu H . 17437 1 145 . 1 1 43 43 LEU CA C 13 53.819 0.2 . 1 . . . . 43 leu CA . 17437 1 146 . 1 1 43 43 LEU CB C 13 44.621 0.2 . 1 . . . . 43 leu CB . 17437 1 147 . 1 1 43 43 LEU N N 15 124.978 0.1 . 1 . . . . 43 leu N . 17437 1 148 . 1 1 44 44 GLN H H 1 8.136 0.02 . 1 . . . . 44 gln H . 17437 1 149 . 1 1 44 44 GLN CA C 13 55.387 0.2 . 1 . . . . 44 gln CA . 17437 1 150 . 1 1 44 44 GLN CB C 13 29.824 0.2 . 1 . . . . 44 gln CB . 17437 1 151 . 1 1 44 44 GLN N N 15 124.138 0.1 . 1 . . . . 44 gln N . 17437 1 152 . 1 1 45 45 VAL H H 1 8.667 0.02 . 1 . . . . 45 val H . 17437 1 153 . 1 1 45 45 VAL CA C 13 59.643 0.2 . 1 . . . . 45 val CA . 17437 1 154 . 1 1 45 45 VAL CB C 13 37.311 0.2 . 1 . . . . 45 val CB . 17437 1 155 . 1 1 45 45 VAL N N 15 121.215 0.1 . 1 . . . . 45 val N . 17437 1 156 . 1 1 46 46 THR H H 1 9.394 0.02 . 1 . . . . 46 thr H . 17437 1 157 . 1 1 46 46 THR CA C 13 60.372 0.2 . 1 . . . . 46 thr CA . 17437 1 158 . 1 1 46 46 THR CB C 13 71.317 0.2 . 1 . . . . 46 thr CB . 17437 1 159 . 1 1 46 46 THR N N 15 116.800 0.1 . 1 . . . . 46 thr N . 17437 1 160 . 1 1 47 47 ILE H H 1 9.168 0.02 . 1 . . . . 47 ile H . 17437 1 161 . 1 1 47 47 ILE CA C 13 59.441 0.2 . 1 . . . . 47 ile CA . 17437 1 162 . 1 1 47 47 ILE CB C 13 42.447 0.2 . 1 . . . . 47 ile CB . 17437 1 163 . 1 1 47 47 ILE N N 15 121.597 0.1 . 1 . . . . 47 ile N . 17437 1 164 . 1 1 48 48 GLU H H 1 8.735 0.02 . 1 . . . . 48 glu H . 17437 1 165 . 1 1 48 48 GLU CA C 13 55.607 0.2 . 1 . . . . 48 glu CA . 17437 1 166 . 1 1 48 48 GLU CB C 13 30.438 0.2 . 1 . . . . 48 glu CB . 17437 1 167 . 1 1 48 48 GLU N N 15 127.866 0.1 . 1 . . . . 48 glu N . 17437 1 168 . 1 1 49 49 GLY H H 1 9.561 0.02 . 1 . . . . 49 gly H . 17437 1 169 . 1 1 49 49 GLY N N 15 112.447 0.1 . 1 . . . . 49 gly N . 17437 1 170 . 1 1 50 50 PRO CA C 13 63.109 0.2 . 1 . . . . 50 pro CA . 17437 1 171 . 1 1 50 50 PRO CB C 13 32.194 0.2 . 1 . . . . 50 pro CB . 17437 1 172 . 1 1 51 51 GLU H H 1 8.938 0.02 . 1 . . . . 51 glu H . 17437 1 173 . 1 1 51 51 GLU CA C 13 57.729 0.2 . 1 . . . . 51 glu CA . 17437 1 174 . 1 1 51 51 GLU CB C 13 29.764 0.2 . 1 . . . . 51 glu CB . 17437 1 175 . 1 1 51 51 GLU N N 15 124.606 0.1 . 1 . . . . 51 glu N . 17437 1 176 . 1 1 52 52 GLY H H 1 9.167 0.02 . 1 . . . . 52 gly H . 17437 1 177 . 1 1 52 52 GLY CA C 13 45.629 0.2 . 1 . . . . 52 gly CA . 17437 1 178 . 1 1 52 52 GLY N N 15 110.808 0.1 . 1 . . . . 52 gly N . 17437 1 179 . 1 1 53 53 THR H H 1 7.498 0.02 . 1 . . . . 53 thr H . 17437 1 180 . 1 1 53 53 THR N N 15 108.437 0.1 . 1 . . . . 53 thr N . 17437 1 181 . 1 1 54 54 PRO CA C 13 63.764 0.2 . 1 . . . . 54 pro CA . 17437 1 182 . 1 1 54 54 PRO CB C 13 32.558 0.2 . 1 . . . . 54 pro CB . 17437 1 183 . 1 1 55 55 TYR H H 1 6.914 0.02 . 1 . . . . 55 tyr H . 17437 1 184 . 1 1 55 55 TYR CA C 13 55.845 0.2 . 1 . . . . 55 tyr CA . 17437 1 185 . 1 1 55 55 TYR CB C 13 38.279 0.2 . 1 . . . . 55 tyr CB . 17437 1 186 . 1 1 55 55 TYR N N 15 113.993 0.1 . 1 . . . . 55 tyr N . 17437 1 187 . 1 1 56 56 ALA H H 1 7.277 0.02 . 1 . . . . 56 ala H . 17437 1 188 . 1 1 56 56 ALA CA C 13 53.700 0.2 . 1 . . . . 56 ala CA . 17437 1 189 . 1 1 56 56 ALA CB C 13 19.577 0.2 . 1 . . . . 56 ala CB . 17437 1 190 . 1 1 56 56 ALA N N 15 123.188 0.1 . 1 . . . . 56 ala N . 17437 1 191 . 1 1 57 57 GLY H H 1 8.715 0.02 . 1 . . . . 57 gly H . 17437 1 192 . 1 1 57 57 GLY CA C 13 45.294 0.2 . 1 . . . . 57 gly CA . 17437 1 193 . 1 1 57 57 GLY N N 15 111.735 0.1 . 1 . . . . 57 gly N . 17437 1 194 . 1 1 58 58 GLY H H 1 8.257 0.02 . 1 . . . . 58 gly H . 17437 1 195 . 1 1 58 58 GLY CA C 13 44.587 0.2 . 1 . . . . 58 gly CA . 17437 1 196 . 1 1 58 58 GLY N N 15 107.109 0.1 . 1 . . . . 58 gly N . 17437 1 197 . 1 1 59 59 LEU H H 1 9.289 0.02 . 1 . . . . 59 leu H . 17437 1 198 . 1 1 59 59 LEU CA C 13 54.098 0.2 . 1 . . . . 59 leu CA . 17437 1 199 . 1 1 59 59 LEU CB C 13 43.214 0.2 . 1 . . . . 59 leu CB . 17437 1 200 . 1 1 59 59 LEU N N 15 126.986 0.1 . 1 . . . . 59 leu N . 17437 1 201 . 1 1 60 60 PHE H H 1 8.847 0.02 . 1 . . . . 60 phe H . 17437 1 202 . 1 1 60 60 PHE CA C 13 57.359 0.2 . 1 . . . . 60 phe CA . 17437 1 203 . 1 1 60 60 PHE CB C 13 40.363 0.2 . 1 . . . . 60 phe CB . 17437 1 204 . 1 1 60 60 PHE N N 15 123.809 0.1 . 1 . . . . 60 phe N . 17437 1 205 . 1 1 61 61 ARG H H 1 9.374 0.02 . 1 . . . . 61 arg H . 17437 1 206 . 1 1 61 61 ARG CA C 13 55.492 0.2 . 1 . . . . 61 arg CA . 17437 1 207 . 1 1 61 61 ARG CB C 13 31.451 0.2 . 1 . . . . 61 arg CB . 17437 1 208 . 1 1 61 61 ARG N N 15 123.746 0.1 . 1 . . . . 61 arg N . 17437 1 209 . 1 1 62 62 MET H H 1 9.451 0.02 . 1 . . . . 62 met H . 17437 1 210 . 1 1 62 62 MET CA C 13 54.413 0.2 . 1 . . . . 62 met CA . 17437 1 211 . 1 1 62 62 MET CB C 13 37.355 0.2 . 1 . . . . 62 met CB . 17437 1 212 . 1 1 62 62 MET N N 15 124.002 0.1 . 1 . . . . 62 met N . 17437 1 213 . 1 1 63 63 LYS H H 1 9.075 0.02 . 1 . . . . 63 lys H . 17437 1 214 . 1 1 63 63 LYS CA C 13 54.453 0.2 . 1 . . . . 63 lys CA . 17437 1 215 . 1 1 63 63 LYS CB C 13 36.145 0.2 . 1 . . . . 63 lys CB . 17437 1 216 . 1 1 63 63 LYS N N 15 120.121 0.1 . 1 . . . . 63 lys N . 17437 1 217 . 1 1 64 64 LEU H H 1 8.964 0.02 . 1 . . . . 64 leu H . 17437 1 218 . 1 1 64 64 LEU CA C 13 52.784 0.2 . 1 . . . . 64 leu CA . 17437 1 219 . 1 1 64 64 LEU CB C 13 45.005 0.2 . 1 . . . . 64 leu CB . 17437 1 220 . 1 1 64 64 LEU N N 15 123.320 0.1 . 1 . . . . 64 leu N . 17437 1 221 . 1 1 65 65 LEU H H 1 9.011 0.02 . 1 . . . . 65 leu H . 17437 1 222 . 1 1 65 65 LEU CA C 13 52.982 0.2 . 1 . . . . 65 leu CA . 17437 1 223 . 1 1 65 65 LEU CB C 13 43.761 0.2 . 1 . . . . 65 leu CB . 17437 1 224 . 1 1 65 65 LEU N N 15 122.445 0.1 . 1 . . . . 65 leu N . 17437 1 225 . 1 1 66 66 LEU H H 1 9.023 0.02 . 1 . . . . 66 leu H . 17437 1 226 . 1 1 66 66 LEU CA C 13 55.461 0.2 . 1 . . . . 66 leu CA . 17437 1 227 . 1 1 66 66 LEU CB C 13 40.975 0.2 . 1 . . . . 66 leu CB . 17437 1 228 . 1 1 66 66 LEU N N 15 126.901 0.1 . 1 . . . . 66 leu N . 17437 1 229 . 1 1 67 67 GLY H H 1 7.899 0.02 . 1 . . . . 67 gly H . 17437 1 230 . 1 1 67 67 GLY CA C 13 44.227 0.2 . 1 . . . . 67 gly CA . 17437 1 231 . 1 1 67 67 GLY N N 15 108.891 0.1 . 1 . . . . 67 gly N . 17437 1 232 . 1 1 68 68 LYS H H 1 8.390 0.02 . 1 . . . . 68 lys H . 17437 1 233 . 1 1 68 68 LYS CA C 13 58.238 0.2 . 1 . . . . 68 lys CA . 17437 1 234 . 1 1 68 68 LYS CB C 13 32.265 0.2 . 1 . . . . 68 lys CB . 17437 1 235 . 1 1 68 68 LYS N N 15 116.508 0.1 . 1 . . . . 68 lys N . 17437 1 236 . 1 1 69 69 ASP H H 1 8.524 0.02 . 1 . . . . 69 asp H . 17437 1 237 . 1 1 69 69 ASP CA C 13 52.865 0.2 . 1 . . . . 69 asp CA . 17437 1 238 . 1 1 69 69 ASP CB C 13 40.553 0.2 . 1 . . . . 69 asp CB . 17437 1 239 . 1 1 69 69 ASP N N 15 116.136 0.1 . 1 . . . . 69 asp N . 17437 1 240 . 1 1 70 70 PHE H H 1 7.702 0.02 . 1 . . . . 70 phe H . 17437 1 241 . 1 1 70 70 PHE N N 15 124.895 0.1 . 1 . . . . 70 phe N . 17437 1 242 . 1 1 71 71 PRO CA C 13 64.034 0.2 . 1 . . . . 71 pro CA . 17437 1 243 . 1 1 71 71 PRO CB C 13 32.299 0.2 . 1 . . . . 71 pro CB . 17437 1 244 . 1 1 72 72 ALA H H 1 8.551 0.02 . 1 . . . . 72 ala H . 17437 1 245 . 1 1 72 72 ALA CA C 13 55.886 0.2 . 1 . . . . 72 ala CA . 17437 1 246 . 1 1 72 72 ALA CB C 13 18.189 0.2 . 1 . . . . 72 ala CB . 17437 1 247 . 1 1 72 72 ALA N N 15 128.435 0.1 . 1 . . . . 72 ala N . 17437 1 248 . 1 1 73 73 SER H H 1 7.836 0.02 . 1 . . . . 73 ser H . 17437 1 249 . 1 1 73 73 SER N N 15 111.632 0.1 . 1 . . . . 73 ser N . 17437 1 250 . 1 1 75 75 PRO CA C 13 61.990 0.2 . 1 . . . . 75 pro CA . 17437 1 251 . 1 1 75 75 PRO CB C 13 32.552 0.2 . 1 . . . . 75 pro CB . 17437 1 252 . 1 1 76 76 LYS H H 1 7.917 0.02 . 1 . . . . 76 lys H . 17437 1 253 . 1 1 76 76 LYS CA C 13 55.641 0.2 . 1 . . . . 76 lys CA . 17437 1 254 . 1 1 76 76 LYS CB C 13 34.429 0.2 . 1 . . . . 76 lys CB . 17437 1 255 . 1 1 76 76 LYS N N 15 118.364 0.1 . 1 . . . . 76 lys N . 17437 1 256 . 1 1 77 77 GLY H H 1 8.335 0.02 . 1 . . . . 77 gly H . 17437 1 257 . 1 1 77 77 GLY CA C 13 44.542 0.2 . 1 . . . . 77 gly CA . 17437 1 258 . 1 1 77 77 GLY N N 15 107.453 0.1 . 1 . . . . 77 gly N . 17437 1 259 . 1 1 78 78 TYR H H 1 8.685 0.02 . 1 . . . . 78 tyr H . 17437 1 260 . 1 1 78 78 TYR CA C 13 56.075 0.2 . 1 . . . . 78 tyr CA . 17437 1 261 . 1 1 78 78 TYR CB C 13 41.652 0.2 . 1 . . . . 78 tyr CB . 17437 1 262 . 1 1 78 78 TYR N N 15 119.276 0.1 . 1 . . . . 78 tyr N . 17437 1 263 . 1 1 79 79 PHE H H 1 10.054 0.02 . 1 . . . . 79 phe H . 17437 1 264 . 1 1 79 79 PHE CA C 13 60.564 0.2 . 1 . . . . 79 phe CA . 17437 1 265 . 1 1 79 79 PHE CB C 13 39.420 0.2 . 1 . . . . 79 phe CB . 17437 1 266 . 1 1 79 79 PHE N N 15 122.525 0.1 . 1 . . . . 79 phe N . 17437 1 267 . 1 1 80 80 LEU H H 1 9.411 0.02 . 1 . . . . 80 leu H . 17437 1 268 . 1 1 80 80 LEU CA C 13 55.393 0.2 . 1 . . . . 80 leu CA . 17437 1 269 . 1 1 80 80 LEU CB C 13 41.580 0.2 . 1 . . . . 80 leu CB . 17437 1 270 . 1 1 80 80 LEU N N 15 125.864 0.1 . 1 . . . . 80 leu N . 17437 1 271 . 1 1 81 81 THR H H 1 7.479 0.02 . 1 . . . . 81 thr H . 17437 1 272 . 1 1 81 81 THR CA C 13 63.055 0.2 . 1 . . . . 81 thr CA . 17437 1 273 . 1 1 81 81 THR CB C 13 71.418 0.2 . 1 . . . . 81 thr CB . 17437 1 274 . 1 1 81 81 THR N N 15 118.554 0.1 . 1 . . . . 81 thr N . 17437 1 275 . 1 1 82 82 LYS H H 1 8.470 0.02 . 1 . . . . 82 lys H . 17437 1 276 . 1 1 82 82 LYS CA C 13 57.424 0.2 . 1 . . . . 82 lys CA . 17437 1 277 . 1 1 82 82 LYS CB C 13 32.020 0.2 . 1 . . . . 82 lys CB . 17437 1 278 . 1 1 82 82 LYS N N 15 127.550 0.1 . 1 . . . . 82 lys N . 17437 1 279 . 1 1 83 83 ILE H H 1 8.216 0.02 . 1 . . . . 83 ile H . 17437 1 280 . 1 1 83 83 ILE CA C 13 60.125 0.2 . 1 . . . . 83 ile CA . 17437 1 281 . 1 1 83 83 ILE CB C 13 41.485 0.2 . 1 . . . . 83 ile CB . 17437 1 282 . 1 1 83 83 ILE N N 15 120.974 0.1 . 1 . . . . 83 ile N . 17437 1 283 . 1 1 84 84 PHE H H 1 8.326 0.02 . 1 . . . . 84 phe H . 17437 1 284 . 1 1 84 84 PHE CA C 13 56.758 0.2 . 1 . . . . 84 phe CA . 17437 1 285 . 1 1 84 84 PHE CB C 13 40.034 0.2 . 1 . . . . 84 phe CB . 17437 1 286 . 1 1 84 84 PHE N N 15 127.814 0.1 . 1 . . . . 84 phe N . 17437 1 287 . 1 1 85 85 HIS H H 1 9.474 0.02 . 1 . . . . 85 his H . 17437 1 288 . 1 1 85 85 HIS N N 15 129.962 0.1 . 1 . . . . 85 his N . 17437 1 289 . 1 1 86 86 PRO CA C 13 65.465 0.2 . 1 . . . . 86 pro CA . 17437 1 290 . 1 1 86 86 PRO CB C 13 32.673 0.2 . 1 . . . . 86 pro CB . 17437 1 291 . 1 1 87 87 ASN H H 1 11.438 0.02 . 1 . . . . 87 asn H . 17437 1 292 . 1 1 87 87 ASN CA C 13 53.381 0.2 . 1 . . . . 87 asn CA . 17437 1 293 . 1 1 87 87 ASN CB C 13 41.128 0.2 . 1 . . . . 87 asn CB . 17437 1 294 . 1 1 87 87 ASN N N 15 116.818 0.1 . 1 . . . . 87 asn N . 17437 1 295 . 1 1 88 88 VAL H H 1 7.374 0.02 . 1 . . . . 88 val H . 17437 1 296 . 1 1 88 88 VAL CA C 13 60.767 0.2 . 1 . . . . 88 val CA . 17437 1 297 . 1 1 88 88 VAL CB C 13 34.067 0.2 . 1 . . . . 88 val CB . 17437 1 298 . 1 1 88 88 VAL N N 15 118.605 0.1 . 1 . . . . 88 val N . 17437 1 299 . 1 1 89 89 GLY H H 1 9.372 0.02 . 1 . . . . 89 gly H . 17437 1 300 . 1 1 89 89 GLY CA C 13 44.676 0.2 . 1 . . . . 89 gly CA . 17437 1 301 . 1 1 89 89 GLY N N 15 112.843 0.1 . 1 . . . . 89 gly N . 17437 1 302 . 1 1 90 90 ALA H H 1 8.819 0.02 . 1 . . . . 90 ala H . 17437 1 303 . 1 1 90 90 ALA CA C 13 55.122 0.2 . 1 . . . . 90 ala CA . 17437 1 304 . 1 1 90 90 ALA CB C 13 18.482 0.2 . 1 . . . . 90 ala CB . 17437 1 305 . 1 1 90 90 ALA N N 15 123.865 0.1 . 1 . . . . 90 ala N . 17437 1 306 . 1 1 91 91 ASN H H 1 8.702 0.02 . 1 . . . . 91 asn H . 17437 1 307 . 1 1 91 91 ASN CA C 13 52.427 0.2 . 1 . . . . 91 asn CA . 17437 1 308 . 1 1 91 91 ASN CB C 13 38.106 0.2 . 1 . . . . 91 asn CB . 17437 1 309 . 1 1 91 91 ASN N N 15 115.131 0.1 . 1 . . . . 91 asn N . 17437 1 310 . 1 1 92 92 GLY H H 1 8.214 0.02 . 1 . . . . 92 gly H . 17437 1 311 . 1 1 92 92 GLY CA C 13 45.544 0.2 . 1 . . . . 92 gly CA . 17437 1 312 . 1 1 92 92 GLY N N 15 107.109 0.1 . 1 . . . . 92 gly N . 17437 1 313 . 1 1 93 93 GLU H H 1 8.944 0.02 . 1 . . . . 93 glu H . 17437 1 314 . 1 1 93 93 GLU CA C 13 57.070 0.2 . 1 . . . . 93 glu CA . 17437 1 315 . 1 1 93 93 GLU CB C 13 29.771 0.2 . 1 . . . . 93 glu CB . 17437 1 316 . 1 1 93 93 GLU N N 15 123.339 0.1 . 1 . . . . 93 glu N . 17437 1 317 . 1 1 94 94 ILE H H 1 7.828 0.02 . 1 . . . . 94 ile H . 17437 1 318 . 1 1 94 94 ILE CA C 13 61.230 0.2 . 1 . . . . 94 ile CA . 17437 1 319 . 1 1 94 94 ILE CB C 13 38.731 0.2 . 1 . . . . 94 ile CB . 17437 1 320 . 1 1 94 94 ILE N N 15 124.667 0.1 . 1 . . . . 94 ile N . 17437 1 321 . 1 1 95 95 CYS H H 1 7.953 0.02 . 1 . . . . 95 cys H . 17437 1 322 . 1 1 95 95 CYS CA C 13 61.550 0.2 . 1 . . . . 95 cys CA . 17437 1 323 . 1 1 95 95 CYS CB C 13 30.109 0.2 . 1 . . . . 95 cys CB . 17437 1 324 . 1 1 95 95 CYS N N 15 128.950 0.1 . 1 . . . . 95 cys N . 17437 1 325 . 1 1 96 96 VAL H H 1 8.216 0.02 . 1 . . . . 96 val H . 17437 1 326 . 1 1 96 96 VAL CA C 13 64.141 0.2 . 1 . . . . 96 val CA . 17437 1 327 . 1 1 96 96 VAL CB C 13 31.935 0.2 . 1 . . . . 96 val CB . 17437 1 328 . 1 1 96 96 VAL N N 15 126.966 0.1 . 1 . . . . 96 val N . 17437 1 329 . 1 1 97 97 ASN H H 1 9.194 0.02 . 1 . . . . 97 asn H . 17437 1 330 . 1 1 97 97 ASN CA C 13 56.643 0.2 . 1 . . . . 97 asn CA . 17437 1 331 . 1 1 97 97 ASN CB C 13 38.038 0.2 . 1 . . . . 97 asn CB . 17437 1 332 . 1 1 97 97 ASN N N 15 122.796 0.1 . 1 . . . . 97 asn N . 17437 1 333 . 1 1 102 102 ASP CA C 13 54.452 0.2 . 1 . . . . 102 asp CA . 17437 1 334 . 1 1 102 102 ASP CB C 13 40.596 0.2 . 1 . . . . 102 asp CB . 17437 1 335 . 1 1 103 103 TRP H H 1 7.581 0.02 . 1 . . . . 103 trp H . 17437 1 336 . 1 1 103 103 TRP CA C 13 59.103 0.2 . 1 . . . . 103 trp CA . 17437 1 337 . 1 1 103 103 TRP CB C 13 30.198 0.2 . 1 . . . . 103 trp CB . 17437 1 338 . 1 1 103 103 TRP N N 15 119.480 0.1 . 1 . . . . 103 trp N . 17437 1 339 . 1 1 104 104 THR H H 1 5.865 0.02 . 1 . . . . 104 thr H . 17437 1 340 . 1 1 104 104 THR CA C 13 59.438 0.2 . 1 . . . . 104 thr CA . 17437 1 341 . 1 1 104 104 THR CB C 13 71.495 0.2 . 1 . . . . 104 thr CB . 17437 1 342 . 1 1 104 104 THR N N 15 117.751 0.1 . 1 . . . . 104 thr N . 17437 1 343 . 1 1 105 105 ALA H H 1 8.096 0.02 . 1 . . . . 105 ala H . 17437 1 344 . 1 1 105 105 ALA CA C 13 53.459 0.2 . 1 . . . . 105 ala CA . 17437 1 345 . 1 1 105 105 ALA CB C 13 18.667 0.2 . 1 . . . . 105 ala CB . 17437 1 346 . 1 1 105 105 ALA N N 15 120.079 0.1 . 1 . . . . 105 ala N . 17437 1 347 . 1 1 106 106 GLU H H 1 7.748 0.02 . 1 . . . . 106 glu H . 17437 1 348 . 1 1 106 106 GLU CA C 13 56.861 0.2 . 1 . . . . 106 glu CA . 17437 1 349 . 1 1 106 106 GLU CB C 13 29.523 0.2 . 1 . . . . 106 glu CB . 17437 1 350 . 1 1 106 106 GLU N N 15 114.810 0.1 . 1 . . . . 106 glu N . 17437 1 351 . 1 1 107 107 LEU H H 1 7.004 0.02 . 1 . . . . 107 leu H . 17437 1 352 . 1 1 107 107 LEU CA C 13 55.235 0.2 . 1 . . . . 107 leu CA . 17437 1 353 . 1 1 107 107 LEU CB C 13 40.894 0.2 . 1 . . . . 107 leu CB . 17437 1 354 . 1 1 107 107 LEU N N 15 120.908 0.1 . 1 . . . . 107 leu N . 17437 1 355 . 1 1 108 108 GLY H H 1 7.467 0.02 . 1 . . . . 108 gly H . 17437 1 356 . 1 1 108 108 GLY CA C 13 45.035 0.2 . 1 . . . . 108 gly CA . 17437 1 357 . 1 1 108 108 GLY N N 15 104.200 0.1 . 1 . . . . 108 gly N . 17437 1 358 . 1 1 109 109 ILE H H 1 10.244 0.02 . 1 . . . . 109 ile H . 17437 1 359 . 1 1 109 109 ILE CA C 13 64.599 0.2 . 1 . . . . 109 ile CA . 17437 1 360 . 1 1 109 109 ILE CB C 13 37.574 0.2 . 1 . . . . 109 ile CB . 17437 1 361 . 1 1 109 109 ILE N N 15 121.445 0.1 . 1 . . . . 109 ile N . 17437 1 362 . 1 1 110 110 ARG H H 1 9.572 0.02 . 1 . . . . 110 arg H . 17437 1 363 . 1 1 110 110 ARG CA C 13 61.057 0.2 . 1 . . . . 110 arg CA . 17437 1 364 . 1 1 110 110 ARG CB C 13 30.532 0.2 . 1 . . . . 110 arg CB . 17437 1 365 . 1 1 110 110 ARG N N 15 121.807 0.1 . 1 . . . . 110 arg N . 17437 1 366 . 1 1 111 111 HIS H H 1 7.853 0.02 . 1 . . . . 111 his H . 17437 1 367 . 1 1 111 111 HIS CA C 13 60.627 0.2 . 1 . . . . 111 his CA . 17437 1 368 . 1 1 111 111 HIS CB C 13 31.997 0.2 . 1 . . . . 111 his CB . 17437 1 369 . 1 1 111 111 HIS N N 15 115.863 0.1 . 1 . . . . 111 his N . 17437 1 370 . 1 1 112 112 VAL H H 1 7.879 0.02 . 1 . . . . 112 val H . 17437 1 371 . 1 1 112 112 VAL CA C 13 66.282 0.2 . 1 . . . . 112 val CA . 17437 1 372 . 1 1 112 112 VAL CB C 13 31.408 0.2 . 1 . . . . 112 val CB . 17437 1 373 . 1 1 112 112 VAL N N 15 121.029 0.1 . 1 . . . . 112 val N . 17437 1 374 . 1 1 113 113 LEU H H 1 8.081 0.02 . 1 . . . . 113 leu H . 17437 1 375 . 1 1 113 113 LEU CA C 13 58.128 0.2 . 1 . . . . 113 leu CA . 17437 1 376 . 1 1 113 113 LEU CB C 13 40.912 0.2 . 1 . . . . 113 leu CB . 17437 1 377 . 1 1 113 113 LEU N N 15 118.590 0.1 . 1 . . . . 113 leu N . 17437 1 378 . 1 1 114 114 LEU H H 1 8.168 0.02 . 1 . . . . 114 leu H . 17437 1 379 . 1 1 114 114 LEU CA C 13 58.023 0.2 . 1 . . . . 114 leu CA . 17437 1 380 . 1 1 114 114 LEU CB C 13 40.995 0.2 . 1 . . . . 114 leu CB . 17437 1 381 . 1 1 114 114 LEU N N 15 118.837 0.1 . 1 . . . . 114 leu N . 17437 1 382 . 1 1 115 115 THR H H 1 8.281 0.02 . 1 . . . . 115 thr H . 17437 1 383 . 1 1 115 115 THR CA C 13 67.275 0.2 . 1 . . . . 115 thr CA . 17437 1 384 . 1 1 115 115 THR CB C 13 68.034 0.2 . 1 . . . . 115 thr CB . 17437 1 385 . 1 1 115 115 THR N N 15 118.863 0.1 . 1 . . . . 115 thr N . 17437 1 386 . 1 1 116 116 ILE H H 1 8.131 0.02 . 1 . . . . 116 ile H . 17437 1 387 . 1 1 116 116 ILE CA C 13 65.992 0.2 . 1 . . . . 116 ile CA . 17437 1 388 . 1 1 116 116 ILE CB C 13 37.440 0.2 . 1 . . . . 116 ile CB . 17437 1 389 . 1 1 116 116 ILE N N 15 123.284 0.1 . 1 . . . . 116 ile N . 17437 1 390 . 1 1 117 117 LYS H H 1 7.999 0.02 . 1 . . . . 117 lys H . 17437 1 391 . 1 1 117 117 LYS CA C 13 61.231 0.2 . 1 . . . . 117 lys CA . 17437 1 392 . 1 1 117 117 LYS CB C 13 32.451 0.2 . 1 . . . . 117 lys CB . 17437 1 393 . 1 1 117 117 LYS N N 15 119.706 0.1 . 1 . . . . 117 lys N . 17437 1 394 . 1 1 118 118 CYS H H 1 8.141 0.02 . 1 . . . . 118 cys H . 17437 1 395 . 1 1 118 118 CYS CA C 13 63.329 0.2 . 1 . . . . 118 cys CA . 17437 1 396 . 1 1 118 118 CYS CB C 13 26.487 0.2 . 1 . . . . 118 cys CB . 17437 1 397 . 1 1 118 118 CYS N N 15 115.167 0.1 . 1 . . . . 118 cys N . 17437 1 398 . 1 1 119 119 LEU H H 1 8.117 0.02 . 1 . . . . 119 leu H . 17437 1 399 . 1 1 119 119 LEU CA C 13 56.714 0.2 . 1 . . . . 119 leu CA . 17437 1 400 . 1 1 119 119 LEU CB C 13 42.515 0.2 . 1 . . . . 119 leu CB . 17437 1 401 . 1 1 119 119 LEU N N 15 122.022 0.1 . 1 . . . . 119 leu N . 17437 1 402 . 1 1 120 120 LEU H H 1 7.703 0.02 . 1 . . . . 120 leu H . 17437 1 403 . 1 1 120 120 LEU CA C 13 58.253 0.2 . 1 . . . . 120 leu CA . 17437 1 404 . 1 1 120 120 LEU CB C 13 41.238 0.2 . 1 . . . . 120 leu CB . 17437 1 405 . 1 1 120 120 LEU N N 15 118.902 0.1 . 1 . . . . 120 leu N . 17437 1 406 . 1 1 121 121 ILE H H 1 7.137 0.02 . 1 . . . . 121 ile H . 17437 1 407 . 1 1 121 121 ILE CA C 13 63.790 0.2 . 1 . . . . 121 ile CA . 17437 1 408 . 1 1 121 121 ILE CB C 13 39.668 0.2 . 1 . . . . 121 ile CB . 17437 1 409 . 1 1 121 121 ILE N N 15 117.032 0.1 . 1 . . . . 121 ile N . 17437 1 410 . 1 1 122 122 HIS H H 1 8.562 0.02 . 1 . . . . 122 his H . 17437 1 411 . 1 1 122 122 HIS N N 15 116.776 0.1 . 1 . . . . 122 his N . 17437 1 412 . 1 1 125 125 PRO CA C 13 67.450 0.2 . 1 . . . . 125 pro CA . 17437 1 413 . 1 1 125 125 PRO CB C 13 31.328 0.2 . 1 . . . . 125 pro CB . 17437 1 414 . 1 1 126 126 GLU H H 1 8.162 0.02 . 1 . . . . 126 glu H . 17437 1 415 . 1 1 126 126 GLU CA C 13 58.897 0.2 . 1 . . . . 126 glu CA . 17437 1 416 . 1 1 126 126 GLU CB C 13 30.377 0.2 . 1 . . . . 126 glu CB . 17437 1 417 . 1 1 126 126 GLU N N 15 116.221 0.1 . 1 . . . . 126 glu N . 17437 1 418 . 1 1 127 127 SER H H 1 8.145 0.02 . 1 . . . . 127 ser H . 17437 1 419 . 1 1 127 127 SER CA C 13 57.042 0.2 . 1 . . . . 127 ser CA . 17437 1 420 . 1 1 127 127 SER CB C 13 62.242 0.2 . 1 . . . . 127 ser CB . 17437 1 421 . 1 1 127 127 SER N N 15 116.162 0.1 . 1 . . . . 127 ser N . 17437 1 422 . 1 1 128 128 ALA H H 1 7.754 0.02 . 1 . . . . 128 ala H . 17437 1 423 . 1 1 128 128 ALA CA C 13 52.990 0.2 . 1 . . . . 128 ala CA . 17437 1 424 . 1 1 128 128 ALA CB C 13 19.521 0.2 . 1 . . . . 128 ala CB . 17437 1 425 . 1 1 128 128 ALA N N 15 123.597 0.1 . 1 . . . . 128 ala N . 17437 1 426 . 1 1 129 129 LEU H H 1 7.961 0.02 . 1 . . . . 129 leu H . 17437 1 427 . 1 1 129 129 LEU CA C 13 56.085 0.2 . 1 . . . . 129 leu CA . 17437 1 428 . 1 1 129 129 LEU CB C 13 43.576 0.2 . 1 . . . . 129 leu CB . 17437 1 429 . 1 1 129 129 LEU N N 15 123.584 0.1 . 1 . . . . 129 leu N . 17437 1 430 . 1 1 130 130 ASN H H 1 7.827 0.02 . 1 . . . . 130 asn H . 17437 1 431 . 1 1 130 130 ASN CA C 13 51.502 0.2 . 1 . . . . 130 asn CA . 17437 1 432 . 1 1 130 130 ASN CB C 13 37.734 0.2 . 1 . . . . 130 asn CB . 17437 1 433 . 1 1 130 130 ASN N N 15 116.830 0.1 . 1 . . . . 130 asn N . 17437 1 434 . 1 1 131 131 GLU H H 1 8.790 0.02 . 1 . . . . 131 glu H . 17437 1 435 . 1 1 131 131 GLU CA C 13 59.608 0.2 . 1 . . . . 131 glu CA . 17437 1 436 . 1 1 131 131 GLU CB C 13 29.639 0.2 . 1 . . . . 131 glu CB . 17437 1 437 . 1 1 131 131 GLU N N 15 124.136 0.1 . 1 . . . . 131 glu N . 17437 1 438 . 1 1 132 132 GLU H H 1 8.330 0.02 . 1 . . . . 132 glu H . 17437 1 439 . 1 1 132 132 GLU CA C 13 59.310 0.2 . 1 . . . . 132 glu CA . 17437 1 440 . 1 1 132 132 GLU CB C 13 29.773 0.2 . 1 . . . . 132 glu CB . 17437 1 441 . 1 1 132 132 GLU N N 15 120.899 0.1 . 1 . . . . 132 glu N . 17437 1 442 . 1 1 133 133 ALA H H 1 7.189 0.02 . 1 . . . . 133 ala H . 17437 1 443 . 1 1 133 133 ALA CA C 13 54.873 0.2 . 1 . . . . 133 ala CA . 17437 1 444 . 1 1 133 133 ALA CB C 13 16.332 0.2 . 1 . . . . 133 ala CB . 17437 1 445 . 1 1 133 133 ALA N N 15 119.217 0.1 . 1 . . . . 133 ala N . 17437 1 446 . 1 1 134 134 GLY H H 1 8.265 0.02 . 1 . . . . 134 gly H . 17437 1 447 . 1 1 134 134 GLY CA C 13 47.597 0.2 . 1 . . . . 134 gly CA . 17437 1 448 . 1 1 134 134 GLY N N 15 102.717 0.1 . 1 . . . . 134 gly N . 17437 1 449 . 1 1 135 135 ARG H H 1 8.125 0.02 . 1 . . . . 135 arg H . 17437 1 450 . 1 1 135 135 ARG CA C 13 59.326 0.2 . 1 . . . . 135 arg CA . 17437 1 451 . 1 1 135 135 ARG CB C 13 30.028 0.2 . 1 . . . . 135 arg CB . 17437 1 452 . 1 1 135 135 ARG N N 15 120.370 0.1 . 1 . . . . 135 arg N . 17437 1 453 . 1 1 136 136 LEU H H 1 8.173 0.02 . 1 . . . . 136 leu H . 17437 1 454 . 1 1 136 136 LEU CA C 13 57.749 0.2 . 1 . . . . 136 leu CA . 17437 1 455 . 1 1 136 136 LEU CB C 13 43.190 0.2 . 1 . . . . 136 leu CB . 17437 1 456 . 1 1 136 136 LEU N N 15 118.277 0.1 . 1 . . . . 136 leu N . 17437 1 457 . 1 1 137 137 LEU H H 1 7.833 0.02 . 1 . . . . 137 leu H . 17437 1 458 . 1 1 137 137 LEU CA C 13 59.133 0.2 . 1 . . . . 137 leu CA . 17437 1 459 . 1 1 137 137 LEU CB C 13 41.834 0.2 . 1 . . . . 137 leu CB . 17437 1 460 . 1 1 137 137 LEU N N 15 118.388 0.1 . 1 . . . . 137 leu N . 17437 1 461 . 1 1 138 138 LEU H H 1 6.893 0.02 . 1 . . . . 138 leu H . 17437 1 462 . 1 1 138 138 LEU CA C 13 56.480 0.2 . 1 . . . . 138 leu CA . 17437 1 463 . 1 1 138 138 LEU CB C 13 43.376 0.2 . 1 . . . . 138 leu CB . 17437 1 464 . 1 1 138 138 LEU N N 15 113.263 0.1 . 1 . . . . 138 leu N . 17437 1 465 . 1 1 139 139 GLU H H 1 8.507 0.02 . 1 . . . . 139 glu H . 17437 1 466 . 1 1 139 139 GLU CA C 13 58.088 0.2 . 1 . . . . 139 glu CA . 17437 1 467 . 1 1 139 139 GLU CB C 13 31.597 0.2 . 1 . . . . 139 glu CB . 17437 1 468 . 1 1 139 139 GLU N N 15 117.674 0.1 . 1 . . . . 139 glu N . 17437 1 469 . 1 1 140 140 ASN H H 1 9.150 0.02 . 1 . . . . 140 asn H . 17437 1 470 . 1 1 140 140 ASN CA C 13 52.588 0.2 . 1 . . . . 140 asn CA . 17437 1 471 . 1 1 140 140 ASN CB C 13 37.679 0.2 . 1 . . . . 140 asn CB . 17437 1 472 . 1 1 140 140 ASN N N 15 118.427 0.1 . 1 . . . . 140 asn N . 17437 1 473 . 1 1 141 141 TYR H H 1 9.144 0.02 . 1 . . . . 141 tyr H . 17437 1 474 . 1 1 141 141 TYR CA C 13 63.421 0.2 . 1 . . . . 141 tyr CA . 17437 1 475 . 1 1 141 141 TYR CB C 13 38.655 0.2 . 1 . . . . 141 tyr CB . 17437 1 476 . 1 1 141 141 TYR N N 15 126.860 0.1 . 1 . . . . 141 tyr N . 17437 1 477 . 1 1 142 142 GLU H H 1 8.720 0.02 . 1 . . . . 142 glu H . 17437 1 478 . 1 1 142 142 GLU CA C 13 59.705 0.2 . 1 . . . . 142 glu CA . 17437 1 479 . 1 1 142 142 GLU CB C 13 29.055 0.2 . 1 . . . . 142 glu CB . 17437 1 480 . 1 1 142 142 GLU N N 15 115.598 0.1 . 1 . . . . 142 glu N . 17437 1 481 . 1 1 143 143 GLU H H 1 7.614 0.02 . 1 . . . . 143 glu H . 17437 1 482 . 1 1 143 143 GLU CA C 13 58.407 0.2 . 1 . . . . 143 glu CA . 17437 1 483 . 1 1 143 143 GLU CB C 13 29.667 0.2 . 1 . . . . 143 glu CB . 17437 1 484 . 1 1 143 143 GLU N N 15 121.083 0.1 . 1 . . . . 143 glu N . 17437 1 485 . 1 1 144 144 TYR H H 1 7.795 0.02 . 1 . . . . 144 tyr H . 17437 1 486 . 1 1 144 144 TYR CA C 13 61.282 0.2 . 1 . . . . 144 tyr CA . 17437 1 487 . 1 1 144 144 TYR CB C 13 36.566 0.2 . 1 . . . . 144 tyr CB . 17437 1 488 . 1 1 144 144 TYR N N 15 121.321 0.1 . 1 . . . . 144 tyr N . 17437 1 489 . 1 1 145 145 ALA H H 1 8.664 0.02 . 1 . . . . 145 ala H . 17437 1 490 . 1 1 145 145 ALA CA C 13 54.949 0.2 . 1 . . . . 145 ala CA . 17437 1 491 . 1 1 145 145 ALA CB C 13 17.393 0.2 . 1 . . . . 145 ala CB . 17437 1 492 . 1 1 145 145 ALA N N 15 121.449 0.1 . 1 . . . . 145 ala N . 17437 1 493 . 1 1 146 146 ALA H H 1 7.830 0.02 . 1 . . . . 146 ala H . 17437 1 494 . 1 1 146 146 ALA CA C 13 55.138 0.2 . 1 . . . . 146 ala CA . 17437 1 495 . 1 1 146 146 ALA CB C 13 18.117 0.2 . 1 . . . . 146 ala CB . 17437 1 496 . 1 1 146 146 ALA N N 15 119.580 0.1 . 1 . . . . 146 ala N . 17437 1 497 . 1 1 147 147 ARG H H 1 7.830 0.02 . 1 . . . . 147 arg H . 17437 1 498 . 1 1 147 147 ARG CA C 13 58.324 0.2 . 1 . . . . 147 arg CA . 17437 1 499 . 1 1 147 147 ARG CB C 13 29.100 0.2 . 1 . . . . 147 arg CB . 17437 1 500 . 1 1 147 147 ARG N N 15 119.590 0.1 . 1 . . . . 147 arg N . 17437 1 501 . 1 1 148 148 ALA H H 1 8.439 0.02 . 1 . . . . 148 ala H . 17437 1 502 . 1 1 148 148 ALA CA C 13 54.929 0.2 . 1 . . . . 148 ala CA . 17437 1 503 . 1 1 148 148 ALA CB C 13 17.719 0.2 . 1 . . . . 148 ala CB . 17437 1 504 . 1 1 148 148 ALA N N 15 120.467 0.1 . 1 . . . . 148 ala N . 17437 1 505 . 1 1 149 149 ARG H H 1 8.521 0.02 . 1 . . . . 149 arg H . 17437 1 506 . 1 1 149 149 ARG CA C 13 59.076 0.2 . 1 . . . . 149 arg CA . 17437 1 507 . 1 1 149 149 ARG CB C 13 30.570 0.2 . 1 . . . . 149 arg CB . 17437 1 508 . 1 1 149 149 ARG N N 15 120.932 0.1 . 1 . . . . 149 arg N . 17437 1 509 . 1 1 150 150 LEU H H 1 7.854 0.02 . 1 . . . . 150 leu H . 17437 1 510 . 1 1 150 150 LEU CA C 13 57.940 0.2 . 1 . . . . 150 leu CA . 17437 1 511 . 1 1 150 150 LEU CB C 13 41.747 0.2 . 1 . . . . 150 leu CB . 17437 1 512 . 1 1 150 150 LEU N N 15 121.334 0.1 . 1 . . . . 150 leu N . 17437 1 513 . 1 1 151 151 LEU H H 1 7.664 0.02 . 1 . . . . 151 leu H . 17437 1 514 . 1 1 151 151 LEU CA C 13 57.347 0.2 . 1 . . . . 151 leu CA . 17437 1 515 . 1 1 151 151 LEU CB C 13 41.275 0.2 . 1 . . . . 151 leu CB . 17437 1 516 . 1 1 151 151 LEU N N 15 116.157 0.1 . 1 . . . . 151 leu N . 17437 1 517 . 1 1 152 152 THR H H 1 7.902 0.02 . 1 . . . . 152 thr H . 17437 1 518 . 1 1 152 152 THR CA C 13 67.049 0.2 . 1 . . . . 152 thr CA . 17437 1 519 . 1 1 152 152 THR CB C 13 68.634 0.2 . 1 . . . . 152 thr CB . 17437 1 520 . 1 1 152 152 THR N N 15 120.878 0.1 . 1 . . . . 152 thr N . 17437 1 521 . 1 1 153 153 GLU H H 1 8.304 0.02 . 1 . . . . 153 glu H . 17437 1 522 . 1 1 153 153 GLU CA C 13 58.370 0.2 . 1 . . . . 153 glu CA . 17437 1 523 . 1 1 153 153 GLU CB C 13 29.550 0.2 . 1 . . . . 153 glu CB . 17437 1 524 . 1 1 153 153 GLU N N 15 124.238 0.1 . 1 . . . . 153 glu N . 17437 1 525 . 1 1 154 154 ILE H H 1 7.894 0.02 . 1 . . . . 154 ile H . 17437 1 526 . 1 1 154 154 ILE CA C 13 63.245 0.2 . 1 . . . . 154 ile CA . 17437 1 527 . 1 1 154 154 ILE CB C 13 39.359 0.2 . 1 . . . . 154 ile CB . 17437 1 528 . 1 1 154 154 ILE N N 15 118.884 0.1 . 1 . . . . 154 ile N . 17437 1 529 . 1 1 155 155 HIS H H 1 8.213 0.02 . 1 . . . . 155 his H . 17437 1 530 . 1 1 155 155 HIS CA C 13 56.861 0.2 . 1 . . . . 155 his CA . 17437 1 531 . 1 1 155 155 HIS CB C 13 32.108 0.2 . 1 . . . . 155 his CB . 17437 1 532 . 1 1 155 155 HIS N N 15 118.243 0.1 . 1 . . . . 155 his N . 17437 1 533 . 1 1 156 156 GLY H H 1 8.230 0.02 . 1 . . . . 156 gly H . 17437 1 534 . 1 1 156 156 GLY N N 15 115.689 0.1 . 1 . . . . 156 gly N . 17437 1 stop_ save_