data_18740 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18740 _Entry.Title ; LMPG micelle-bound KSR1 CC-SAM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-25 _Entry.Accession_date 2012-09-25 _Entry.Last_release_date 2013-02-11 _Entry.Original_release_date 2013-02-11 _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 Dorothy Koveal . . . 18740 2 Rebecca Page . . . 18740 3 Wolfgang Peti . . . 18740 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18740 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 18740 '15N chemical shifts' 136 18740 '1H chemical shifts' 136 18740 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 . . 2013-02-11 2012-09-25 original author . 18740 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17045 'KSR1 CA1 monomer' 18740 BMRB 17724 'KSR1 CA1-CA1a domain (bound to SDS micelles)' 18740 BMRB 17725 'KSR1 CA1-CA1a domain' 18740 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18740 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23250398 _Citation.Full_citation . _Citation.Title 'A CC-SAM, for coiled coil-sterile alpha motif, domain targets the scaffold KSR-1 to specific sites in the plasma membrane' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Signal' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue 255 _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 ra94 _Citation.Page_last ra94 _Citation.Year 2012 _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 Dorothy Koveal . . . 18740 1 2 Natasha Schuh-Nuhfer . . . 18740 1 3 Daniel Ritt . . . 18740 1 4 Rebecca Page . . . 18740 1 5 Deborah Morrison . K. . 18740 1 6 Wolfgang Peti . . . 18740 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18740 _Assembly.ID 1 _Assembly.Name 'KSR1 CC-SAM' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KSR1 CC-SAM' 1 $KSR1_CC-SAM A . yes micelle-bound no no . . . 18740 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KSR1_CC-SAM _Entity.Sf_category entity _Entity.Sf_framecode KSR1_CC-SAM _Entity.Entry_ID 18740 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KSR1_CC-SAM _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 ; GHMDGGAGAAVSRALQQCGQ LQKLIDISIGSLRGLRTKCS VSNDLTQQEIRTLEAKLVKY ICKQQQSKLSVTPSDRTAEL NSYPRFSDWLYIFNVRPEVV QEIPQELTLDALLEMDEAKA KEMLRRWGASTEECSRLQQA LTCLRKVTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues G(22), H(23) and M(24) represent non-native residues that remain after cleavage of the N-terminal affinity tag.' _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17045 . KSR1_CA1 . . . . . 100.00 149 100.00 100.00 1.34e-103 . . . . 18740 1 2 no BMRB 17724 . KSR1 . . . . . 100.00 149 100.00 100.00 1.34e-103 . . . . 18740 1 3 no BMRB 17725 . KSR1_CA1-CA1a . . . . . 97.99 172 100.00 100.00 1.55e-100 . . . . 18740 1 4 no PDB 2LPE . "Solution Nmr Structure Of The Ksr1 Ca1-Ca1a Domain" . . . . . 100.00 149 100.00 100.00 1.34e-103 . . . . 18740 1 5 no EMBL CAA57288 . "hb [Mus musculus]" . . . . . 81.88 426 100.00 100.00 1.14e-79 . . . . 18740 1 6 no GB AAC52382 . "protein kinase related to Raf protein kinases; Method: conceptual translation supplied by author [Mus musculus]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 18740 1 7 no GB AAI68386 . "Kinase suppressor of ras 1 [synthetic construct]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 18740 1 8 no GB ABK42251 . "Ksr1 [synthetic construct]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 18740 1 9 no REF NP_038599 . "kinase suppressor of Ras 1 [Mus musculus]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 18740 1 10 no REF XP_006246986 . "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Rattus norvegicus]" . . . . . 97.99 915 97.26 98.63 4.20e-90 . . . . 18740 1 11 no REF XP_006246988 . "PREDICTED: kinase suppressor of Ras 1 isoform X7 [Rattus norvegicus]" . . . . . 97.99 888 97.26 98.63 2.03e-90 . . . . 18740 1 12 no REF XP_006246989 . "PREDICTED: kinase suppressor of Ras 1 isoform X6 [Rattus norvegicus]" . . . . . 97.99 874 97.26 98.63 1.87e-90 . . . . 18740 1 13 no REF XP_006532397 . "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Mus musculus]" . . . . . 97.99 887 100.00 100.00 1.07e-92 . . . . 18740 1 14 no SP Q61097 . "RecName: Full=Kinase suppressor of Ras 1; Short=mKSR1; AltName: Full=Protein Hb" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 18740 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 22 GLY . 18740 1 2 23 HIS . 18740 1 3 24 MET . 18740 1 4 25 ASP . 18740 1 5 26 GLY . 18740 1 6 27 GLY . 18740 1 7 28 ALA . 18740 1 8 29 GLY . 18740 1 9 30 ALA . 18740 1 10 31 ALA . 18740 1 11 32 VAL . 18740 1 12 33 SER . 18740 1 13 34 ARG . 18740 1 14 35 ALA . 18740 1 15 36 LEU . 18740 1 16 37 GLN . 18740 1 17 38 GLN . 18740 1 18 39 CYS . 18740 1 19 40 GLY . 18740 1 20 41 GLN . 18740 1 21 42 LEU . 18740 1 22 43 GLN . 18740 1 23 44 LYS . 18740 1 24 45 LEU . 18740 1 25 46 ILE . 18740 1 26 47 ASP . 18740 1 27 48 ILE . 18740 1 28 49 SER . 18740 1 29 50 ILE . 18740 1 30 51 GLY . 18740 1 31 52 SER . 18740 1 32 53 LEU . 18740 1 33 54 ARG . 18740 1 34 55 GLY . 18740 1 35 56 LEU . 18740 1 36 57 ARG . 18740 1 37 58 THR . 18740 1 38 59 LYS . 18740 1 39 60 CYS . 18740 1 40 61 SER . 18740 1 41 62 VAL . 18740 1 42 63 SER . 18740 1 43 64 ASN . 18740 1 44 65 ASP . 18740 1 45 66 LEU . 18740 1 46 67 THR . 18740 1 47 68 GLN . 18740 1 48 69 GLN . 18740 1 49 70 GLU . 18740 1 50 71 ILE . 18740 1 51 72 ARG . 18740 1 52 73 THR . 18740 1 53 74 LEU . 18740 1 54 75 GLU . 18740 1 55 76 ALA . 18740 1 56 77 LYS . 18740 1 57 78 LEU . 18740 1 58 79 VAL . 18740 1 59 80 LYS . 18740 1 60 81 TYR . 18740 1 61 82 ILE . 18740 1 62 83 CYS . 18740 1 63 84 LYS . 18740 1 64 85 GLN . 18740 1 65 86 GLN . 18740 1 66 87 GLN . 18740 1 67 88 SER . 18740 1 68 89 LYS . 18740 1 69 90 LEU . 18740 1 70 91 SER . 18740 1 71 92 VAL . 18740 1 72 93 THR . 18740 1 73 94 PRO . 18740 1 74 95 SER . 18740 1 75 96 ASP . 18740 1 76 97 ARG . 18740 1 77 98 THR . 18740 1 78 99 ALA . 18740 1 79 100 GLU . 18740 1 80 101 LEU . 18740 1 81 102 ASN . 18740 1 82 103 SER . 18740 1 83 104 TYR . 18740 1 84 105 PRO . 18740 1 85 106 ARG . 18740 1 86 107 PHE . 18740 1 87 108 SER . 18740 1 88 109 ASP . 18740 1 89 110 TRP . 18740 1 90 111 LEU . 18740 1 91 112 TYR . 18740 1 92 113 ILE . 18740 1 93 114 PHE . 18740 1 94 115 ASN . 18740 1 95 116 VAL . 18740 1 96 117 ARG . 18740 1 97 118 PRO . 18740 1 98 119 GLU . 18740 1 99 120 VAL . 18740 1 100 121 VAL . 18740 1 101 122 GLN . 18740 1 102 123 GLU . 18740 1 103 124 ILE . 18740 1 104 125 PRO . 18740 1 105 126 GLN . 18740 1 106 127 GLU . 18740 1 107 128 LEU . 18740 1 108 129 THR . 18740 1 109 130 LEU . 18740 1 110 131 ASP . 18740 1 111 132 ALA . 18740 1 112 133 LEU . 18740 1 113 134 LEU . 18740 1 114 135 GLU . 18740 1 115 136 MET . 18740 1 116 137 ASP . 18740 1 117 138 GLU . 18740 1 118 139 ALA . 18740 1 119 140 LYS . 18740 1 120 141 ALA . 18740 1 121 142 LYS . 18740 1 122 143 GLU . 18740 1 123 144 MET . 18740 1 124 145 LEU . 18740 1 125 146 ARG . 18740 1 126 147 ARG . 18740 1 127 148 TRP . 18740 1 128 149 GLY . 18740 1 129 150 ALA . 18740 1 130 151 SER . 18740 1 131 152 THR . 18740 1 132 153 GLU . 18740 1 133 154 GLU . 18740 1 134 155 CYS . 18740 1 135 156 SER . 18740 1 136 157 ARG . 18740 1 137 158 LEU . 18740 1 138 159 GLN . 18740 1 139 160 GLN . 18740 1 140 161 ALA . 18740 1 141 162 LEU . 18740 1 142 163 THR . 18740 1 143 164 CYS . 18740 1 144 165 LEU . 18740 1 145 166 ARG . 18740 1 146 167 LYS . 18740 1 147 168 VAL . 18740 1 148 169 THR . 18740 1 149 170 GLY . 18740 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 . GLY 1 1 18740 1 . HIS 2 2 18740 1 . MET 3 3 18740 1 . ASP 4 4 18740 1 . GLY 5 5 18740 1 . GLY 6 6 18740 1 . ALA 7 7 18740 1 . GLY 8 8 18740 1 . ALA 9 9 18740 1 . ALA 10 10 18740 1 . VAL 11 11 18740 1 . SER 12 12 18740 1 . ARG 13 13 18740 1 . ALA 14 14 18740 1 . LEU 15 15 18740 1 . GLN 16 16 18740 1 . GLN 17 17 18740 1 . CYS 18 18 18740 1 . GLY 19 19 18740 1 . GLN 20 20 18740 1 . LEU 21 21 18740 1 . GLN 22 22 18740 1 . LYS 23 23 18740 1 . LEU 24 24 18740 1 . ILE 25 25 18740 1 . ASP 26 26 18740 1 . ILE 27 27 18740 1 . SER 28 28 18740 1 . ILE 29 29 18740 1 . GLY 30 30 18740 1 . SER 31 31 18740 1 . LEU 32 32 18740 1 . ARG 33 33 18740 1 . GLY 34 34 18740 1 . LEU 35 35 18740 1 . ARG 36 36 18740 1 . THR 37 37 18740 1 . LYS 38 38 18740 1 . CYS 39 39 18740 1 . SER 40 40 18740 1 . VAL 41 41 18740 1 . SER 42 42 18740 1 . ASN 43 43 18740 1 . ASP 44 44 18740 1 . LEU 45 45 18740 1 . THR 46 46 18740 1 . GLN 47 47 18740 1 . GLN 48 48 18740 1 . GLU 49 49 18740 1 . ILE 50 50 18740 1 . ARG 51 51 18740 1 . THR 52 52 18740 1 . LEU 53 53 18740 1 . GLU 54 54 18740 1 . ALA 55 55 18740 1 . LYS 56 56 18740 1 . LEU 57 57 18740 1 . VAL 58 58 18740 1 . LYS 59 59 18740 1 . TYR 60 60 18740 1 . ILE 61 61 18740 1 . CYS 62 62 18740 1 . LYS 63 63 18740 1 . GLN 64 64 18740 1 . GLN 65 65 18740 1 . GLN 66 66 18740 1 . SER 67 67 18740 1 . LYS 68 68 18740 1 . LEU 69 69 18740 1 . SER 70 70 18740 1 . VAL 71 71 18740 1 . THR 72 72 18740 1 . PRO 73 73 18740 1 . SER 74 74 18740 1 . ASP 75 75 18740 1 . ARG 76 76 18740 1 . THR 77 77 18740 1 . ALA 78 78 18740 1 . GLU 79 79 18740 1 . LEU 80 80 18740 1 . ASN 81 81 18740 1 . SER 82 82 18740 1 . TYR 83 83 18740 1 . PRO 84 84 18740 1 . ARG 85 85 18740 1 . PHE 86 86 18740 1 . SER 87 87 18740 1 . ASP 88 88 18740 1 . TRP 89 89 18740 1 . LEU 90 90 18740 1 . TYR 91 91 18740 1 . ILE 92 92 18740 1 . PHE 93 93 18740 1 . ASN 94 94 18740 1 . VAL 95 95 18740 1 . ARG 96 96 18740 1 . PRO 97 97 18740 1 . GLU 98 98 18740 1 . VAL 99 99 18740 1 . VAL 100 100 18740 1 . GLN 101 101 18740 1 . GLU 102 102 18740 1 . ILE 103 103 18740 1 . PRO 104 104 18740 1 . GLN 105 105 18740 1 . GLU 106 106 18740 1 . LEU 107 107 18740 1 . THR 108 108 18740 1 . LEU 109 109 18740 1 . ASP 110 110 18740 1 . ALA 111 111 18740 1 . LEU 112 112 18740 1 . LEU 113 113 18740 1 . GLU 114 114 18740 1 . MET 115 115 18740 1 . ASP 116 116 18740 1 . GLU 117 117 18740 1 . ALA 118 118 18740 1 . LYS 119 119 18740 1 . ALA 120 120 18740 1 . LYS 121 121 18740 1 . GLU 122 122 18740 1 . MET 123 123 18740 1 . LEU 124 124 18740 1 . ARG 125 125 18740 1 . ARG 126 126 18740 1 . TRP 127 127 18740 1 . GLY 128 128 18740 1 . ALA 129 129 18740 1 . SER 130 130 18740 1 . THR 131 131 18740 1 . GLU 132 132 18740 1 . GLU 133 133 18740 1 . CYS 134 134 18740 1 . SER 135 135 18740 1 . ARG 136 136 18740 1 . LEU 137 137 18740 1 . GLN 138 138 18740 1 . GLN 139 139 18740 1 . ALA 140 140 18740 1 . LEU 141 141 18740 1 . THR 142 142 18740 1 . CYS 143 143 18740 1 . LEU 144 144 18740 1 . ARG 145 145 18740 1 . LYS 146 146 18740 1 . VAL 147 147 18740 1 . THR 148 148 18740 1 . GLY 149 149 18740 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 18740 _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 $KSR1_CC-SAM . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18740 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 18740 _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 $KSR1_CC-SAM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pJexpress411 . . . . . . 18740 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18740 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KSR1 CC-SAM' '[U-99% 13C; U-99% 15N; U-80% 2H]' . . 1 $KSR1_CC-SAM . . 0.4 . . mM . . . . 18740 1 2 LMPG 'natural abundance' . . . . . . 300 . . mM . . . . 18740 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18740 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18740 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18740 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18740 1 7 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18740 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 18740 _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' 0.42 . M 18740 1 pH 6.5 . pH 18740 1 pressure 1 . atm 18740 1 temperature 308 . K 18740 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18740 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18740 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18740 1 processing 18740 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18740 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18740 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18740 2 'peak picking' 18740 2 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 18740 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18740 _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 18740 _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 . 500 . . . 18740 1 2 spectrometer_2 Bruker Avance . 800 . . . 18740 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 18740 _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 TROSY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18740 1 2 '2D 1H-15N TROSY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18740 1 3 '3D TROSY HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18740 1 4 '3D TROSY HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18740 1 5 '3D TROSY HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18740 1 6 '3D 1H-15N TROSY NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18740 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 18740 _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 . . . . . . . . . 18740 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18740 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18740 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 18740 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY HSQC' . . . 18740 1 3 '3D TROSY HNCA' . . . 18740 1 4 '3D TROSY HNCACB' . . . 18740 1 5 '3D TROSY HN(CO)CA' . . . 18740 1 6 '3D 1H-15N TROSY NOESY' . . . 18740 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 HIS CA C 13 56.494 0.625 . 1 . . . . 23 HIS CA . 18740 1 2 . 1 1 2 2 HIS CB C 13 29.462 0.625 . 1 . . . . 23 HIS CB . 18740 1 3 . 1 1 3 3 MET H H 1 8.687 0.01 . 1 . . . . 24 MET H . 18740 1 4 . 1 1 3 3 MET CA C 13 55.013 0.625 . 1 . . . . 24 MET CA . 18740 1 5 . 1 1 3 3 MET CB C 13 31.776 0.625 . 1 . . . . 24 MET CB . 18740 1 6 . 1 1 3 3 MET N N 15 119.800 0.10 . 1 . . . . 24 MET N . 18740 1 7 . 1 1 4 4 ASP H H 1 8.113 0.01 . 1 . . . . 25 ASP H . 18740 1 8 . 1 1 4 4 ASP CA C 13 54.392 0.625 . 1 . . . . 25 ASP CA . 18740 1 9 . 1 1 4 4 ASP CB C 13 40.690 0.625 . 1 . . . . 25 ASP CB . 18740 1 10 . 1 1 4 4 ASP N N 15 120.781 0.10 . 1 . . . . 25 ASP N . 18740 1 11 . 1 1 5 5 GLY H H 1 8.341 0.01 . 1 . . . . 26 GLY H . 18740 1 12 . 1 1 5 5 GLY CA C 13 45.165 0.625 . 1 . . . . 26 GLY CA . 18740 1 13 . 1 1 5 5 GLY N N 15 109.668 0.10 . 1 . . . . 26 GLY N . 18740 1 14 . 1 1 6 6 GLY H H 1 8.399 0.01 . 1 . . . . 27 GLY H . 18740 1 15 . 1 1 6 6 GLY CA C 13 45.299 0.625 . 1 . . . . 27 GLY CA . 18740 1 16 . 1 1 6 6 GLY N N 15 109.457 0.10 . 1 . . . . 27 GLY N . 18740 1 17 . 1 1 7 7 ALA H H 1 8.730 0.01 . 1 . . . . 28 ALA H . 18740 1 18 . 1 1 7 7 ALA CA C 13 54.589 0.625 . 1 . . . . 28 ALA CA . 18740 1 19 . 1 1 7 7 ALA CB C 13 18.068 0.625 . 1 . . . . 28 ALA CB . 18740 1 20 . 1 1 7 7 ALA N N 15 125.024 0.10 . 1 . . . . 28 ALA N . 18740 1 21 . 1 1 8 8 GLY H H 1 8.656 0.01 . 1 . . . . 29 GLY H . 18740 1 22 . 1 1 8 8 GLY CA C 13 46.886 0.625 . 1 . . . . 29 GLY CA . 18740 1 23 . 1 1 8 8 GLY N N 15 105.683 0.10 . 1 . . . . 29 GLY N . 18740 1 24 . 1 1 9 9 ALA H H 1 7.909 0.01 . 1 . . . . 30 ALA H . 18740 1 25 . 1 1 9 9 ALA CA C 13 54.166 0.625 . 1 . . . . 30 ALA CA . 18740 1 26 . 1 1 9 9 ALA CB C 13 17.450 0.625 . 1 . . . . 30 ALA CB . 18740 1 27 . 1 1 9 9 ALA N N 15 124.643 0.10 . 1 . . . . 30 ALA N . 18740 1 28 . 1 1 10 10 ALA H H 1 7.879 0.01 . 1 . . . . 31 ALA H . 18740 1 29 . 1 1 10 10 ALA CA C 13 54.597 0.625 . 1 . . . . 31 ALA CA . 18740 1 30 . 1 1 10 10 ALA CB C 13 17.574 0.625 . 1 . . . . 31 ALA CB . 18740 1 31 . 1 1 10 10 ALA N N 15 121.583 0.10 . 1 . . . . 31 ALA N . 18740 1 32 . 1 1 11 11 VAL H H 1 8.234 0.01 . 1 . . . . 32 VAL H . 18740 1 33 . 1 1 11 11 VAL CA C 13 66.215 0.625 . 1 . . . . 32 VAL CA . 18740 1 34 . 1 1 11 11 VAL CB C 13 30.677 0.625 . 1 . . . . 32 VAL CB . 18740 1 35 . 1 1 11 11 VAL N N 15 118.518 0.10 . 1 . . . . 32 VAL N . 18740 1 36 . 1 1 12 12 SER H H 1 8.121 0.01 . 1 . . . . 33 SER H . 18740 1 37 . 1 1 12 12 SER CA C 13 61.679 0.625 . 1 . . . . 33 SER CA . 18740 1 38 . 1 1 12 12 SER N N 15 114.529 0.10 . 1 . . . . 33 SER N . 18740 1 39 . 1 1 13 13 ARG H H 1 8.003 0.01 . 1 . . . . 34 ARG H . 18740 1 40 . 1 1 13 13 ARG CA C 13 58.737 0.625 . 1 . . . . 34 ARG CA . 18740 1 41 . 1 1 13 13 ARG CB C 13 29.132 0.625 . 1 . . . . 34 ARG CB . 18740 1 42 . 1 1 13 13 ARG N N 15 120.570 0.10 . 1 . . . . 34 ARG N . 18740 1 43 . 1 1 14 14 ALA H H 1 7.961 0.01 . 1 . . . . 35 ALA H . 18740 1 44 . 1 1 14 14 ALA CA C 13 54.759 0.625 . 1 . . . . 35 ALA CA . 18740 1 45 . 1 1 14 14 ALA CB C 13 17.512 0.625 . 1 . . . . 35 ALA CB . 18740 1 46 . 1 1 14 14 ALA N N 15 122.297 0.10 . 1 . . . . 35 ALA N . 18740 1 47 . 1 1 15 15 LEU H H 1 8.260 0.01 . 1 . . . . 36 LEU H . 18740 1 48 . 1 1 15 15 LEU CA C 13 57.157 0.625 . 1 . . . . 36 LEU CA . 18740 1 49 . 1 1 15 15 LEU CB C 13 40.566 0.625 . 1 . . . . 36 LEU CB . 18740 1 50 . 1 1 15 15 LEU N N 15 117.061 0.10 . 1 . . . . 36 LEU N . 18740 1 51 . 1 1 16 16 GLN H H 1 7.847 0.01 . 1 . . . . 37 GLN H . 18740 1 52 . 1 1 16 16 GLN CA C 13 57.722 0.625 . 1 . . . . 37 GLN CA . 18740 1 53 . 1 1 16 16 GLN CB C 13 28.081 0.625 . 1 . . . . 37 GLN CB . 18740 1 54 . 1 1 16 16 GLN N N 15 117.227 0.10 . 1 . . . . 37 GLN N . 18740 1 55 . 1 1 17 17 GLN H H 1 7.848 0.01 . 1 . . . . 38 GLN H . 18740 1 56 . 1 1 17 17 GLN CA C 13 55.972 0.625 . 1 . . . . 38 GLN CA . 18740 1 57 . 1 1 17 17 GLN CB C 13 28.453 0.625 . 1 . . . . 38 GLN CB . 18740 1 58 . 1 1 17 17 GLN N N 15 116.843 0.10 . 1 . . . . 38 GLN N . 18740 1 59 . 1 1 18 18 CYS H H 1 7.872 0.01 . 1 . . . . 39 CYS H . 18740 1 60 . 1 1 18 18 CYS CA C 13 59.923 0.625 . 1 . . . . 39 CYS CA . 18740 1 61 . 1 1 18 18 CYS CB C 13 26.598 0.625 . 1 . . . . 39 CYS CB . 18740 1 62 . 1 1 18 18 CYS N N 15 118.548 0.10 . 1 . . . . 39 CYS N . 18740 1 63 . 1 1 19 19 GLY H H 1 8.531 0.01 . 1 . . . . 40 GLY H . 18740 1 64 . 1 1 19 19 GLY CA C 13 46.660 0.625 . 1 . . . . 40 GLY CA . 18740 1 65 . 1 1 19 19 GLY N N 15 112.177 0.10 . 1 . . . . 40 GLY N . 18740 1 66 . 1 1 20 20 GLN H H 1 8.376 0.01 . 1 . . . . 41 GLN H . 18740 1 67 . 1 1 20 20 GLN CA C 13 57.129 0.625 . 1 . . . . 41 GLN CA . 18740 1 68 . 1 1 20 20 GLN CB C 13 27.957 0.625 . 1 . . . . 41 GLN CB . 18740 1 69 . 1 1 20 20 GLN N N 15 119.971 0.10 . 1 . . . . 41 GLN N . 18740 1 70 . 1 1 21 21 LEU H H 1 7.888 0.01 . 1 . . . . 42 LEU H . 18740 1 71 . 1 1 21 21 LEU CA C 13 57.271 0.625 . 1 . . . . 42 LEU CA . 18740 1 72 . 1 1 21 21 LEU CB C 13 40.752 0.625 . 1 . . . . 42 LEU CB . 18740 1 73 . 1 1 21 21 LEU N N 15 120.301 0.10 . 1 . . . . 42 LEU N . 18740 1 74 . 1 1 22 22 GLN H H 1 8.163 0.01 . 1 . . . . 43 GLN H . 18740 1 75 . 1 1 22 22 GLN CA C 13 58.737 0.625 . 1 . . . . 43 GLN CA . 18740 1 76 . 1 1 22 22 GLN CB C 13 27.463 0.625 . 1 . . . . 43 GLN CB . 18740 1 77 . 1 1 22 22 GLN N N 15 118.075 0.10 . 1 . . . . 43 GLN N . 18740 1 78 . 1 1 23 23 LYS H H 1 7.727 0.01 . 1 . . . . 44 LYS H . 18740 1 79 . 1 1 23 23 LYS CA C 13 58.427 0.625 . 1 . . . . 44 LYS CA . 18740 1 80 . 1 1 23 23 LYS CB C 13 31.048 0.625 . 1 . . . . 44 LYS CB . 18740 1 81 . 1 1 23 23 LYS N N 15 118.222 0.10 . 1 . . . . 44 LYS N . 18740 1 82 . 1 1 24 24 LEU H H 1 7.680 0.01 . 1 . . . . 45 LEU H . 18740 1 83 . 1 1 24 24 LEU CA C 13 57.185 0.625 . 1 . . . . 45 LEU CA . 18740 1 84 . 1 1 24 24 LEU CB C 13 40.813 0.625 . 1 . . . . 45 LEU CB . 18740 1 85 . 1 1 24 24 LEU N N 15 118.698 0.10 . 1 . . . . 45 LEU N . 18740 1 86 . 1 1 25 25 ILE H H 1 8.168 0.01 . 1 . . . . 46 ILE H . 18740 1 87 . 1 1 25 25 ILE CA C 13 64.776 0.625 . 1 . . . . 46 ILE CA . 18740 1 88 . 1 1 25 25 ILE CB C 13 36.919 0.625 . 1 . . . . 46 ILE CB . 18740 1 89 . 1 1 25 25 ILE N N 15 121.612 0.10 . 1 . . . . 46 ILE N . 18740 1 90 . 1 1 26 26 ASP H H 1 8.310 0.01 . 1 . . . . 47 ASP H . 18740 1 91 . 1 1 26 26 ASP CA C 13 57.157 0.625 . 1 . . . . 47 ASP CA . 18740 1 92 . 1 1 26 26 ASP CB C 13 40.072 0.625 . 1 . . . . 47 ASP CB . 18740 1 93 . 1 1 26 26 ASP N N 15 120.876 0.10 . 1 . . . . 47 ASP N . 18740 1 94 . 1 1 27 27 ILE H H 1 8.245 0.01 . 1 . . . . 48 ILE H . 18740 1 95 . 1 1 27 27 ILE CA C 13 63.450 0.625 . 1 . . . . 48 ILE CA . 18740 1 96 . 1 1 27 27 ILE CB C 13 37.723 0.625 . 1 . . . . 48 ILE CB . 18740 1 97 . 1 1 27 27 ILE N N 15 119.264 0.10 . 1 . . . . 48 ILE N . 18740 1 98 . 1 1 28 28 SER H H 1 8.147 0.01 . 1 . . . . 49 SER H . 18740 1 99 . 1 1 28 28 SER CA C 13 61.982 0.625 . 1 . . . . 49 SER CA . 18740 1 100 . 1 1 28 28 SER CB C 13 62.998 0.625 . 1 . . . . 49 SER CB . 18740 1 101 . 1 1 28 28 SER N N 15 119.868 0.10 . 1 . . . . 49 SER N . 18740 1 102 . 1 1 29 29 ILE H H 1 8.620 0.01 . 1 . . . . 50 ILE H . 18740 1 103 . 1 1 29 29 ILE CA C 13 64.280 0.625 . 1 . . . . 50 ILE CA . 18740 1 104 . 1 1 29 29 ILE CB C 13 36.610 0.625 . 1 . . . . 50 ILE CB . 18740 1 105 . 1 1 29 29 ILE N N 15 122.681 0.10 . 1 . . . . 50 ILE N . 18740 1 106 . 1 1 30 30 GLY H H 1 8.235 0.01 . 1 . . . . 51 GLY H . 18740 1 107 . 1 1 30 30 GLY CA C 13 46.773 0.625 . 1 . . . . 51 GLY CA . 18740 1 108 . 1 1 30 30 GLY N N 15 107.762 0.10 . 1 . . . . 51 GLY N . 18740 1 109 . 1 1 31 31 SER H H 1 8.094 0.01 . 1 . . . . 52 SER H . 18740 1 110 . 1 1 31 31 SER CA C 13 61.390 0.625 . 1 . . . . 52 SER CA . 18740 1 111 . 1 1 31 31 SER CB C 13 62.693 0.625 . 1 . . . . 52 SER CB . 18740 1 112 . 1 1 31 31 SER N N 15 118.419 0.10 . 1 . . . . 52 SER N . 18740 1 113 . 1 1 32 32 LEU H H 1 8.078 0.01 . 1 . . . . 53 LEU H . 18740 1 114 . 1 1 32 32 LEU CA C 13 57.157 0.625 . 1 . . . . 53 LEU CA . 18740 1 115 . 1 1 32 32 LEU CB C 13 40.813 0.625 . 1 . . . . 53 LEU CB . 18740 1 116 . 1 1 32 32 LEU N N 15 122.674 0.10 . 1 . . . . 53 LEU N . 18740 1 117 . 1 1 33 33 ARG H H 1 8.239 0.01 . 1 . . . . 54 ARG H . 18740 1 118 . 1 1 33 33 ARG CA C 13 59.245 0.625 . 1 . . . . 54 ARG CA . 18740 1 119 . 1 1 33 33 ARG CB C 13 29.132 0.625 . 1 . . . . 54 ARG CB . 18740 1 120 . 1 1 33 33 ARG N N 15 118.677 0.10 . 1 . . . . 54 ARG N . 18740 1 121 . 1 1 34 34 GLY H H 1 8.113 0.01 . 1 . . . . 55 GLY H . 18740 1 122 . 1 1 34 34 GLY CA C 13 46.124 0.625 . 1 . . . . 55 GLY CA . 18740 1 123 . 1 1 34 34 GLY N N 15 107.517 0.10 . 1 . . . . 55 GLY N . 18740 1 124 . 1 1 35 35 LEU H H 1 8.016 0.01 . 1 . . . . 56 LEU H . 18740 1 125 . 1 1 35 35 LEU CA C 13 57.073 0.625 . 1 . . . . 56 LEU CA . 18740 1 126 . 1 1 35 35 LEU CB C 13 41.122 0.625 . 1 . . . . 56 LEU CB . 18740 1 127 . 1 1 35 35 LEU N N 15 122.849 0.10 . 1 . . . . 56 LEU N . 18740 1 128 . 1 1 36 36 ARG H H 1 8.130 0.01 . 1 . . . . 57 ARG H . 18740 1 129 . 1 1 36 36 ARG CA C 13 58.681 0.625 . 1 . . . . 57 ARG CA . 18740 1 130 . 1 1 36 36 ARG CB C 13 29.070 0.625 . 1 . . . . 57 ARG CB . 18740 1 131 . 1 1 36 36 ARG N N 15 118.270 0.10 . 1 . . . . 57 ARG N . 18740 1 132 . 1 1 37 37 THR H H 1 7.792 0.01 . 1 . . . . 58 THR H . 18740 1 133 . 1 1 37 37 THR CA C 13 64.076 0.625 . 1 . . . . 58 THR CA . 18740 1 134 . 1 1 37 37 THR CB C 13 68.689 0.625 . 1 . . . . 58 THR CB . 18740 1 135 . 1 1 37 37 THR N N 15 111.937 0.10 . 1 . . . . 58 THR N . 18740 1 136 . 1 1 38 38 LYS H H 1 7.868 0.01 . 1 . . . . 59 LYS H . 18740 1 137 . 1 1 38 38 LYS CA C 13 56.931 0.625 . 1 . . . . 59 LYS CA . 18740 1 138 . 1 1 38 38 LYS CB C 13 32.098 0.625 . 1 . . . . 59 LYS CB . 18740 1 139 . 1 1 38 38 LYS N N 15 121.332 0.10 . 1 . . . . 59 LYS N . 18740 1 140 . 1 1 39 39 CYS H H 1 7.843 0.01 . 1 . . . . 60 CYS H . 18740 1 141 . 1 1 39 39 CYS CA C 13 59.104 0.625 . 1 . . . . 60 CYS CA . 18740 1 142 . 1 1 39 39 CYS CB C 13 27.577 0.625 . 1 . . . . 60 CYS CB . 18740 1 143 . 1 1 39 39 CYS N N 15 116.814 0.10 . 1 . . . . 60 CYS N . 18740 1 144 . 1 1 40 40 SER H H 1 8.071 0.01 . 1 . . . . 61 SER H . 18740 1 145 . 1 1 40 40 SER CA C 13 58.117 0.625 . 1 . . . . 61 SER CA . 18740 1 146 . 1 1 40 40 SER CB C 13 63.002 0.625 . 1 . . . . 61 SER CB . 18740 1 147 . 1 1 40 40 SER N N 15 117.260 0.10 . 1 . . . . 61 SER N . 18740 1 148 . 1 1 41 41 VAL H H 1 7.933 0.01 . 1 . . . . 62 VAL H . 18740 1 149 . 1 1 41 41 VAL CA C 13 62.039 0.625 . 1 . . . . 62 VAL CA . 18740 1 150 . 1 1 41 41 VAL CB C 13 31.666 0.625 . 1 . . . . 62 VAL CB . 18740 1 151 . 1 1 41 41 VAL N N 15 120.543 0.10 . 1 . . . . 62 VAL N . 18740 1 152 . 1 1 42 42 SER H H 1 8.140 0.01 . 1 . . . . 63 SER H . 18740 1 153 . 1 1 42 42 SER CA C 13 58.088 0.625 . 1 . . . . 63 SER CA . 18740 1 154 . 1 1 42 42 SER CB C 13 63.373 0.625 . 1 . . . . 63 SER CB . 18740 1 155 . 1 1 42 42 SER N N 15 117.530 0.10 . 1 . . . . 63 SER N . 18740 1 156 . 1 1 43 43 ASN H H 1 8.317 0.01 . 1 . . . . 64 ASN H . 18740 1 157 . 1 1 43 43 ASN CA C 13 53.891 0.625 . 1 . . . . 64 ASN CA . 18740 1 158 . 1 1 43 43 ASN CB C 13 38.650 0.625 . 1 . . . . 64 ASN CB . 18740 1 159 . 1 1 43 43 ASN N N 15 121.448 0.10 . 1 . . . . 64 ASN N . 18740 1 160 . 1 1 44 44 ASP H H 1 8.373 0.01 . 1 . . . . 65 ASP H . 18740 1 161 . 1 1 44 44 ASP CA C 13 55.210 0.625 . 1 . . . . 65 ASP CA . 18740 1 162 . 1 1 44 44 ASP CB C 13 40.381 0.625 . 1 . . . . 65 ASP CB . 18740 1 163 . 1 1 44 44 ASP N N 15 120.432 0.10 . 1 . . . . 65 ASP N . 18740 1 164 . 1 1 45 45 LEU H H 1 7.943 0.01 . 1 . . . . 66 LEU H . 18740 1 165 . 1 1 45 45 LEU CA C 13 55.916 0.625 . 1 . . . . 66 LEU CA . 18740 1 166 . 1 1 45 45 LEU CB C 13 41.246 0.625 . 1 . . . . 66 LEU CB . 18740 1 167 . 1 1 45 45 LEU N N 15 121.872 0.10 . 1 . . . . 66 LEU N . 18740 1 168 . 1 1 46 46 THR H H 1 8.086 0.01 . 1 . . . . 67 THR H . 18740 1 169 . 1 1 46 46 THR CA C 13 62.688 0.625 . 1 . . . . 67 THR CA . 18740 1 170 . 1 1 46 46 THR N N 15 114.125 0.10 . 1 . . . . 67 THR N . 18740 1 171 . 1 1 47 47 GLN H H 1 8.619 0.01 . 1 . . . . 68 GLN H . 18740 1 172 . 1 1 47 47 GLN CA C 13 58.707 0.625 . 1 . . . . 68 GLN CA . 18740 1 173 . 1 1 47 47 GLN CB C 13 27.587 0.625 . 1 . . . . 68 GLN CB . 18740 1 174 . 1 1 47 47 GLN N N 15 120.109 0.10 . 1 . . . . 68 GLN N . 18740 1 175 . 1 1 48 48 GLN H H 1 8.205 0.01 . 1 . . . . 69 GLN H . 18740 1 176 . 1 1 48 48 GLN CA C 13 58.314 0.625 . 1 . . . . 69 GLN CA . 18740 1 177 . 1 1 48 48 GLN CB C 13 27.772 0.625 . 1 . . . . 69 GLN CB . 18740 1 178 . 1 1 48 48 GLN N N 15 118.767 0.10 . 1 . . . . 69 GLN N . 18740 1 179 . 1 1 49 49 GLU CA C 13 58.518 0.625 . 1 . . . . 70 GLU CA . 18740 1 180 . 1 1 49 49 GLU CB C 13 36.487 0.625 . 1 . . . . 70 GLU CB . 18740 1 181 . 1 1 50 50 ILE H H 1 8.212 0.01 . 1 . . . . 71 ILE H . 18740 1 182 . 1 1 50 50 ILE CA C 13 64.867 0.625 . 1 . . . . 71 ILE CA . 18740 1 183 . 1 1 50 50 ILE CB C 13 40.752 0.625 . 1 . . . . 71 ILE CB . 18740 1 184 . 1 1 50 50 ILE N N 15 120.646 0.10 . 1 . . . . 71 ILE N . 18740 1 185 . 1 1 51 51 ARG H H 1 8.210 0.01 . 1 . . . . 72 ARG H . 18740 1 186 . 1 1 51 51 ARG CA C 13 58.998 0.625 . 1 . . . . 72 ARG CA . 18740 1 187 . 1 1 51 51 ARG N N 15 119.662 0.10 . 1 . . . . 72 ARG N . 18740 1 188 . 1 1 52 52 THR H H 1 8.142 0.01 . 1 . . . . 73 THR H . 18740 1 189 . 1 1 52 52 THR CA C 13 66.250 0.625 . 1 . . . . 73 THR CA . 18740 1 190 . 1 1 52 52 THR CB C 13 68.194 0.625 . 1 . . . . 73 THR CB . 18740 1 191 . 1 1 52 52 THR N N 15 117.742 0.10 . 1 . . . . 73 THR N . 18740 1 192 . 1 1 53 53 LEU H H 1 8.044 0.01 . 1 . . . . 74 LEU H . 18740 1 193 . 1 1 53 53 LEU CA C 13 57.919 0.625 . 1 . . . . 74 LEU CA . 18740 1 194 . 1 1 53 53 LEU CB C 13 40.690 0.625 . 1 . . . . 74 LEU CB . 18740 1 195 . 1 1 53 53 LEU N N 15 123.448 0.10 . 1 . . . . 74 LEU N . 18740 1 196 . 1 1 54 54 GLU H H 1 8.614 0.01 . 1 . . . . 75 GLU H . 18740 1 197 . 1 1 54 54 GLU CA C 13 59.527 0.625 . 1 . . . . 75 GLU CA . 18740 1 198 . 1 1 54 54 GLU CB C 13 27.463 0.625 . 1 . . . . 75 GLU CB . 18740 1 199 . 1 1 54 54 GLU N N 15 118.697 0.10 . 1 . . . . 75 GLU N . 18740 1 200 . 1 1 55 55 ALA H H 1 7.967 0.01 . 1 . . . . 76 ALA H . 18740 1 201 . 1 1 55 55 ALA CA C 13 54.720 0.625 . 1 . . . . 76 ALA CA . 18740 1 202 . 1 1 55 55 ALA CB C 13 17.450 0.625 . 1 . . . . 76 ALA CB . 18740 1 203 . 1 1 55 55 ALA N N 15 119.892 0.10 . 1 . . . . 76 ALA N . 18740 1 204 . 1 1 56 56 LYS H H 1 7.975 0.01 . 1 . . . . 77 LYS H . 18740 1 205 . 1 1 56 56 LYS CA C 13 58.264 0.625 . 1 . . . . 77 LYS CA . 18740 1 206 . 1 1 56 56 LYS CB C 13 31.789 0.625 . 1 . . . . 77 LYS CB . 18740 1 207 . 1 1 56 56 LYS N N 15 118.624 0.10 . 1 . . . . 77 LYS N . 18740 1 208 . 1 1 57 57 LEU H H 1 7.989 0.01 . 1 . . . . 78 LEU H . 18740 1 209 . 1 1 57 57 LEU CA C 13 57.811 0.625 . 1 . . . . 78 LEU CA . 18740 1 210 . 1 1 57 57 LEU CB C 13 40.690 0.625 . 1 . . . . 78 LEU CB . 18740 1 211 . 1 1 57 57 LEU N N 15 118.598 0.10 . 1 . . . . 78 LEU N . 18740 1 212 . 1 1 58 58 VAL H H 1 8.340 0.01 . 1 . . . . 79 VAL H . 18740 1 213 . 1 1 58 58 VAL CA C 13 66.808 0.625 . 1 . . . . 79 VAL CA . 18740 1 214 . 1 1 58 58 VAL CB C 13 30.965 0.625 . 1 . . . . 79 VAL CB . 18740 1 215 . 1 1 58 58 VAL N N 15 118.606 0.10 . 1 . . . . 79 VAL N . 18740 1 216 . 1 1 59 59 LYS CA C 13 58.603 0.625 . 1 . . . . 80 LYS CA . 18740 1 217 . 1 1 59 59 LYS CB C 13 31.233 0.625 . 1 . . . . 80 LYS CB . 18740 1 218 . 1 1 60 60 TYR H H 1 8.002 0.01 . 1 . . . . 81 TYR H . 18740 1 219 . 1 1 60 60 TYR CA C 13 61.340 0.625 . 1 . . . . 81 TYR CA . 18740 1 220 . 1 1 60 60 TYR CB C 13 37.908 0.625 . 1 . . . . 81 TYR CB . 18740 1 221 . 1 1 60 60 TYR N N 15 119.805 0.10 . 1 . . . . 81 TYR N . 18740 1 222 . 1 1 61 61 ILE H H 1 8.354 0.01 . 1 . . . . 82 ILE H . 18740 1 223 . 1 1 61 61 ILE CA C 13 64.021 0.625 . 1 . . . . 82 ILE CA . 18740 1 224 . 1 1 61 61 ILE CB C 13 36.996 0.625 . 1 . . . . 82 ILE CB . 18740 1 225 . 1 1 61 61 ILE N N 15 118.907 0.10 . 1 . . . . 82 ILE N . 18740 1 226 . 1 1 62 62 CYS H H 1 8.349 0.01 . 1 . . . . 83 CYS H . 18740 1 227 . 1 1 62 62 CYS CA C 13 62.180 0.625 . 1 . . . . 83 CYS CA . 18740 1 228 . 1 1 62 62 CYS CB C 13 26.474 0.625 . 1 . . . . 83 CYS CB . 18740 1 229 . 1 1 62 62 CYS N N 15 117.734 0.10 . 1 . . . . 83 CYS N . 18740 1 230 . 1 1 63 63 LYS H H 1 7.944 0.01 . 1 . . . . 84 LYS H . 18740 1 231 . 1 1 63 63 LYS CA C 13 58.120 0.625 . 1 . . . . 84 LYS CA . 18740 1 232 . 1 1 63 63 LYS CB C 13 31.073 0.625 . 1 . . . . 84 LYS CB . 18740 1 233 . 1 1 63 63 LYS N N 15 120.852 0.10 . 1 . . . . 84 LYS N . 18740 1 234 . 1 1 64 64 GLN H H 1 8.047 0.01 . 1 . . . . 85 GLN H . 18740 1 235 . 1 1 64 64 GLN CA C 13 56.621 0.625 . 1 . . . . 85 GLN CA . 18740 1 236 . 1 1 64 64 GLN CB C 13 27.463 0.625 . 1 . . . . 85 GLN CB . 18740 1 237 . 1 1 64 64 GLN N N 15 119.233 0.10 . 1 . . . . 85 GLN N . 18740 1 238 . 1 1 65 65 GLN H H 1 8.192 0.01 . 1 . . . . 86 GLN H . 18740 1 239 . 1 1 65 65 GLN CA C 13 56.931 0.625 . 1 . . . . 86 GLN CA . 18740 1 240 . 1 1 65 65 GLN CB C 13 27.896 0.625 . 1 . . . . 86 GLN CB . 18740 1 241 . 1 1 65 65 GLN N N 15 119.562 0.10 . 1 . . . . 86 GLN N . 18740 1 242 . 1 1 66 66 GLN H H 1 8.118 0.01 . 1 . . . . 87 GLN H . 18740 1 243 . 1 1 66 66 GLN CA C 13 56.745 0.625 . 1 . . . . 87 GLN CA . 18740 1 244 . 1 1 66 66 GLN CB C 13 28.143 0.625 . 1 . . . . 87 GLN CB . 18740 1 245 . 1 1 66 66 GLN N N 15 119.435 0.10 . 1 . . . . 87 GLN N . 18740 1 246 . 1 1 67 67 SER H H 1 8.109 0.01 . 1 . . . . 88 SER H . 18740 1 247 . 1 1 67 67 SER CA C 13 59.245 0.625 . 1 . . . . 88 SER CA . 18740 1 248 . 1 1 67 67 SER CB C 13 63.126 0.625 . 1 . . . . 88 SER CB . 18740 1 249 . 1 1 67 67 SER N N 15 115.865 0.10 . 1 . . . . 88 SER N . 18740 1 250 . 1 1 68 68 LYS H H 1 7.993 0.01 . 1 . . . . 89 LYS H . 18740 1 251 . 1 1 68 68 LYS CA C 13 56.113 0.625 . 1 . . . . 89 LYS CA . 18740 1 252 . 1 1 68 68 LYS CB C 13 31.913 0.625 . 1 . . . . 89 LYS CB . 18740 1 253 . 1 1 68 68 LYS N N 15 122.055 0.10 . 1 . . . . 89 LYS N . 18740 1 254 . 1 1 69 69 LEU H H 1 7.900 0.01 . 1 . . . . 90 LEU H . 18740 1 255 . 1 1 69 69 LEU CA C 13 54.759 0.625 . 1 . . . . 90 LEU CA . 18740 1 256 . 1 1 69 69 LEU CB C 13 41.370 0.625 . 1 . . . . 90 LEU CB . 18740 1 257 . 1 1 69 69 LEU N N 15 121.436 0.10 . 1 . . . . 90 LEU N . 18740 1 258 . 1 1 70 70 SER H H 1 8.084 0.01 . 1 . . . . 91 SER H . 18740 1 259 . 1 1 70 70 SER CA C 13 57.806 0.625 . 1 . . . . 91 SER CA . 18740 1 260 . 1 1 70 70 SER CB C 13 63.188 0.625 . 1 . . . . 91 SER CB . 18740 1 261 . 1 1 70 70 SER N N 15 116.749 0.10 . 1 . . . . 91 SER N . 18740 1 262 . 1 1 71 71 VAL H H 1 8.052 0.01 . 1 . . . . 92 VAL H . 18740 1 263 . 1 1 71 71 VAL CA C 13 61.503 0.625 . 1 . . . . 92 VAL CA . 18740 1 264 . 1 1 71 71 VAL CB C 13 32.098 0.625 . 1 . . . . 92 VAL CB . 18740 1 265 . 1 1 71 71 VAL N N 15 121.991 0.10 . 1 . . . . 92 VAL N . 18740 1 266 . 1 1 72 72 THR H H 1 8.318 0.01 . 1 . . . . 93 THR H . 18740 1 267 . 1 1 72 72 THR CA C 13 59.562 0.625 . 1 . . . . 93 THR CA . 18740 1 268 . 1 1 72 72 THR CB C 13 69.293 0.625 . 1 . . . . 93 THR CB . 18740 1 269 . 1 1 72 72 THR N N 15 121.426 0.10 . 1 . . . . 93 THR N . 18740 1 270 . 1 1 73 73 PRO CA C 13 62.942 0.625 . 1 . . . . 94 PRO CA . 18740 1 271 . 1 1 73 73 PRO CB C 13 31.295 0.625 . 1 . . . . 94 PRO CB . 18740 1 272 . 1 1 74 74 SER H H 1 8.377 0.01 . 1 . . . . 95 SER H . 18740 1 273 . 1 1 74 74 SER CA C 13 58.088 0.625 . 1 . . . . 95 SER CA . 18740 1 274 . 1 1 74 74 SER CB C 13 63.373 0.625 . 1 . . . . 95 SER CB . 18740 1 275 . 1 1 74 74 SER N N 15 116.579 0.10 . 1 . . . . 95 SER N . 18740 1 276 . 1 1 75 75 ASP H H 1 8.313 0.01 . 1 . . . . 96 ASP H . 18740 1 277 . 1 1 75 75 ASP CA C 13 54.025 0.625 . 1 . . . . 96 ASP CA . 18740 1 278 . 1 1 75 75 ASP CB C 13 40.628 0.625 . 1 . . . . 96 ASP CB . 18740 1 279 . 1 1 75 75 ASP N N 15 122.857 0.10 . 1 . . . . 96 ASP N . 18740 1 280 . 1 1 76 76 ARG H H 1 8.278 0.01 . 1 . . . . 97 ARG H . 18740 1 281 . 1 1 76 76 ARG CA C 13 55.944 0.625 . 1 . . . . 97 ARG CA . 18740 1 282 . 1 1 76 76 ARG CB C 13 29.688 0.625 . 1 . . . . 97 ARG CB . 18740 1 283 . 1 1 76 76 ARG N N 15 122.003 0.10 . 1 . . . . 97 ARG N . 18740 1 284 . 1 1 77 77 THR H H 1 8.180 0.01 . 1 . . . . 98 THR H . 18740 1 285 . 1 1 77 77 THR CA C 13 62.208 0.625 . 1 . . . . 98 THR CA . 18740 1 286 . 1 1 77 77 THR CB C 13 69.183 0.625 . 1 . . . . 98 THR CB . 18740 1 287 . 1 1 77 77 THR N N 15 115.765 0.10 . 1 . . . . 98 THR N . 18740 1 288 . 1 1 78 78 ALA H H 1 8.193 0.01 . 1 . . . . 99 ALA H . 18740 1 289 . 1 1 78 78 ALA CA C 13 52.304 0.625 . 1 . . . . 99 ALA CA . 18740 1 290 . 1 1 78 78 ALA CB C 13 18.563 0.625 . 1 . . . . 99 ALA CB . 18740 1 291 . 1 1 78 78 ALA N N 15 126.287 0.10 . 1 . . . . 99 ALA N . 18740 1 292 . 1 1 79 79 GLU H H 1 8.213 0.01 . 1 . . . . 100 GLU H . 18740 1 293 . 1 1 79 79 GLU CA C 13 56.120 0.625 . 1 . . . . 100 GLU CA . 18740 1 294 . 1 1 79 79 GLU CB C 13 29.333 0.625 . 1 . . . . 100 GLU CB . 18740 1 295 . 1 1 79 79 GLU N N 15 120.305 0.10 . 1 . . . . 100 GLU N . 18740 1 296 . 1 1 80 80 LEU H H 1 8.143 0.01 . 1 . . . . 101 LEU H . 18740 1 297 . 1 1 80 80 LEU CA C 13 54.900 0.625 . 1 . . . . 101 LEU CA . 18740 1 298 . 1 1 80 80 LEU CB C 13 41.370 0.625 . 1 . . . . 101 LEU CB . 18740 1 299 . 1 1 80 80 LEU N N 15 123.178 0.10 . 1 . . . . 101 LEU N . 18740 1 300 . 1 1 81 81 ASN H H 1 8.332 0.01 . 1 . . . . 102 ASN H . 18740 1 301 . 1 1 81 81 ASN CA C 13 52.953 0.625 . 1 . . . . 102 ASN CA . 18740 1 302 . 1 1 81 81 ASN CB C 13 38.650 0.625 . 1 . . . . 102 ASN CB . 18740 1 303 . 1 1 81 81 ASN N N 15 119.713 0.10 . 1 . . . . 102 ASN N . 18740 1 304 . 1 1 82 82 SER H H 1 8.107 0.01 . 1 . . . . 103 SER H . 18740 1 305 . 1 1 82 82 SER CA C 13 57.722 0.625 . 1 . . . . 103 SER CA . 18740 1 306 . 1 1 82 82 SER CB C 13 63.250 0.625 . 1 . . . . 103 SER CB . 18740 1 307 . 1 1 82 82 SER N N 15 116.183 0.10 . 1 . . . . 103 SER N . 18740 1 308 . 1 1 83 83 TYR H H 1 8.000 0.01 . 1 . . . . 104 TYR H . 18740 1 309 . 1 1 83 83 TYR CA C 13 55.633 0.625 . 1 . . . . 104 TYR CA . 18740 1 310 . 1 1 83 83 TYR CB C 13 37.229 0.625 . 1 . . . . 104 TYR CB . 18740 1 311 . 1 1 83 83 TYR N N 15 122.118 0.10 . 1 . . . . 104 TYR N . 18740 1 312 . 1 1 84 84 PRO CA C 13 62.744 0.625 . 1 . . . . 105 PRO CA . 18740 1 313 . 1 1 84 84 PRO CB C 13 31.171 0.625 . 1 . . . . 105 PRO CB . 18740 1 314 . 1 1 85 85 ARG H H 1 8.420 0.01 . 1 . . . . 106 ARG H . 18740 1 315 . 1 1 85 85 ARG CA C 13 55.210 0.625 . 1 . . . . 106 ARG CA . 18740 1 316 . 1 1 85 85 ARG CB C 13 29.750 0.625 . 1 . . . . 106 ARG CB . 18740 1 317 . 1 1 85 85 ARG N N 15 121.058 0.10 . 1 . . . . 106 ARG N . 18740 1 318 . 1 1 86 86 PHE H H 1 8.330 0.01 . 1 . . . . 107 PHE H . 18740 1 319 . 1 1 86 86 PHE CA C 13 59.760 0.625 . 1 . . . . 107 PHE CA . 18740 1 320 . 1 1 86 86 PHE CB C 13 38.190 0.625 . 1 . . . . 107 PHE CB . 18740 1 321 . 1 1 86 86 PHE N N 15 121.260 0.10 . 1 . . . . 107 PHE N . 18740 1 322 . 1 1 87 87 SER H H 1 8.233 0.01 . 1 . . . . 108 SER H . 18740 1 323 . 1 1 87 87 SER CA C 13 60.572 0.625 . 1 . . . . 108 SER CA . 18740 1 324 . 1 1 87 87 SER CB C 13 62.137 0.625 . 1 . . . . 108 SER CB . 18740 1 325 . 1 1 87 87 SER N N 15 112.380 0.10 . 1 . . . . 108 SER N . 18740 1 326 . 1 1 88 88 ASP H H 1 7.895 0.01 . 1 . . . . 109 ASP H . 18740 1 327 . 1 1 88 88 ASP CA C 13 56.035 0.625 . 1 . . . . 109 ASP CA . 18740 1 328 . 1 1 88 88 ASP CB C 13 39.763 0.625 . 1 . . . . 109 ASP CB . 18740 1 329 . 1 1 88 88 ASP N N 15 121.624 0.10 . 1 . . . . 109 ASP N . 18740 1 330 . 1 1 89 89 TRP H H 1 7.815 0.01 . 1 . . . . 110 TRP H . 18740 1 331 . 1 1 89 89 TRP CA C 13 58.427 0.625 . 1 . . . . 110 TRP CA . 18740 1 332 . 1 1 89 89 TRP CB C 13 28.575 0.625 . 1 . . . . 110 TRP CB . 18740 1 333 . 1 1 89 89 TRP N N 15 119.647 0.10 . 1 . . . . 110 TRP N . 18740 1 334 . 1 1 90 90 LEU H H 1 7.487 0.01 . 1 . . . . 111 LEU H . 18740 1 335 . 1 1 90 90 LEU CA C 13 56.875 0.625 . 1 . . . . 111 LEU CA . 18740 1 336 . 1 1 90 90 LEU CB C 13 40.381 0.625 . 1 . . . . 111 LEU CB . 18740 1 337 . 1 1 90 90 LEU N N 15 117.579 0.10 . 1 . . . . 111 LEU N . 18740 1 338 . 1 1 91 91 TYR H H 1 7.639 0.01 . 1 . . . . 112 TYR H . 18740 1 339 . 1 1 91 91 TYR CA C 13 59.330 0.625 . 1 . . . . 112 TYR CA . 18740 1 340 . 1 1 91 91 TYR CB C 13 36.919 0.625 . 1 . . . . 112 TYR CB . 18740 1 341 . 1 1 91 91 TYR N N 15 117.156 0.10 . 1 . . . . 112 TYR N . 18740 1 342 . 1 1 92 92 ILE H H 1 7.408 0.01 . 1 . . . . 113 ILE H . 18740 1 343 . 1 1 92 92 ILE CA C 13 62.942 0.625 . 1 . . . . 113 ILE CA . 18740 1 344 . 1 1 92 92 ILE CB C 13 37.105 0.625 . 1 . . . . 113 ILE CB . 18740 1 345 . 1 1 92 92 ILE N N 15 119.511 0.10 . 1 . . . . 113 ILE N . 18740 1 346 . 1 1 93 93 PHE H H 1 7.469 0.01 . 1 . . . . 114 PHE H . 18740 1 347 . 1 1 93 93 PHE CA C 13 57.947 0.625 . 1 . . . . 114 PHE CA . 18740 1 348 . 1 1 93 93 PHE CB C 13 38.341 0.625 . 1 . . . . 114 PHE CB . 18740 1 349 . 1 1 93 93 PHE N N 15 116.983 0.10 . 1 . . . . 114 PHE N . 18740 1 350 . 1 1 94 94 ASN H H 1 7.936 0.01 . 1 . . . . 115 ASN H . 18740 1 351 . 1 1 94 94 ASN CA C 13 53.291 0.625 . 1 . . . . 115 ASN CA . 18740 1 352 . 1 1 94 94 ASN CB C 13 38.094 0.625 . 1 . . . . 115 ASN CB . 18740 1 353 . 1 1 94 94 ASN N N 15 117.367 0.10 . 1 . . . . 115 ASN N . 18740 1 354 . 1 1 95 95 VAL H H 1 7.705 0.01 . 1 . . . . 116 VAL H . 18740 1 355 . 1 1 95 95 VAL CA C 13 61.587 0.625 . 1 . . . . 116 VAL CA . 18740 1 356 . 1 1 95 95 VAL CB C 13 31.851 0.625 . 1 . . . . 116 VAL CB . 18740 1 357 . 1 1 95 95 VAL N N 15 118.914 0.10 . 1 . . . . 116 VAL N . 18740 1 358 . 1 1 96 96 ARG H H 1 8.082 0.01 . 1 . . . . 117 ARG H . 18740 1 359 . 1 1 96 96 ARG CA C 13 53.291 0.625 . 1 . . . . 117 ARG CA . 18740 1 360 . 1 1 96 96 ARG CB C 13 29.132 0.625 . 1 . . . . 117 ARG CB . 18740 1 361 . 1 1 96 96 ARG N N 15 124.528 0.10 . 1 . . . . 117 ARG N . 18740 1 362 . 1 1 97 97 PRO CA C 13 64.353 0.625 . 1 . . . . 118 PRO CA . 18740 1 363 . 1 1 98 98 GLU H H 1 9.174 0.01 . 1 . . . . 119 GLU H . 18740 1 364 . 1 1 98 98 GLU CA C 13 58.596 0.625 . 1 . . . . 119 GLU CA . 18740 1 365 . 1 1 98 98 GLU CB C 13 27.896 0.625 . 1 . . . . 119 GLU CB . 18740 1 366 . 1 1 98 98 GLU N N 15 118.088 0.10 . 1 . . . . 119 GLU N . 18740 1 367 . 1 1 99 99 VAL H H 1 7.820 0.01 . 1 . . . . 120 VAL H . 18740 1 368 . 1 1 99 99 VAL CA C 13 63.929 0.625 . 1 . . . . 120 VAL CA . 18740 1 369 . 1 1 99 99 VAL CB C 13 31.048 0.625 . 1 . . . . 120 VAL CB . 18740 1 370 . 1 1 99 99 VAL N N 15 118.768 0.10 . 1 . . . . 120 VAL N . 18740 1 371 . 1 1 100 100 VAL H H 1 7.420 0.01 . 1 . . . . 121 VAL H . 18740 1 372 . 1 1 100 100 VAL CA C 13 63.732 0.625 . 1 . . . . 121 VAL CA . 18740 1 373 . 1 1 100 100 VAL CB C 13 30.862 0.625 . 1 . . . . 121 VAL CB . 18740 1 374 . 1 1 100 100 VAL N N 15 117.120 0.10 . 1 . . . . 121 VAL N . 18740 1 375 . 1 1 101 101 GLN H H 1 7.797 0.01 . 1 . . . . 122 GLN H . 18740 1 376 . 1 1 101 101 GLN CA C 13 56.790 0.625 . 1 . . . . 122 GLN CA . 18740 1 377 . 1 1 101 101 GLN CB C 13 28.266 0.625 . 1 . . . . 122 GLN CB . 18740 1 378 . 1 1 101 101 GLN N N 15 118.043 0.10 . 1 . . . . 122 GLN N . 18740 1 379 . 1 1 102 102 GLU H H 1 7.749 0.01 . 1 . . . . 123 GLU H . 18740 1 380 . 1 1 102 102 GLU CA C 13 55.549 0.625 . 1 . . . . 123 GLU CA . 18740 1 381 . 1 1 102 102 GLU CB C 13 29.070 0.625 . 1 . . . . 123 GLU CB . 18740 1 382 . 1 1 102 102 GLU N N 15 117.590 0.10 . 1 . . . . 123 GLU N . 18740 1 383 . 1 1 103 103 ILE H H 1 7.629 0.01 . 1 . . . . 124 ILE H . 18740 1 384 . 1 1 103 103 ILE CA C 13 60.691 0.625 . 1 . . . . 124 ILE CA . 18740 1 385 . 1 1 103 103 ILE N N 15 121.305 0.10 . 1 . . . . 124 ILE N . 18740 1 386 . 1 1 105 105 GLN CA C 13 56.966 0.625 . 1 . . . . 126 GLN CA . 18740 1 387 . 1 1 106 106 GLU H H 1 8.458 0.01 . 1 . . . . 127 GLU H . 18740 1 388 . 1 1 106 106 GLU CA C 13 56.649 0.625 . 1 . . . . 127 GLU CA . 18740 1 389 . 1 1 106 106 GLU CB C 13 28.637 0.625 . 1 . . . . 127 GLU CB . 18740 1 390 . 1 1 106 106 GLU N N 15 117.792 0.10 . 1 . . . . 127 GLU N . 18740 1 391 . 1 1 107 107 LEU H H 1 7.768 0.01 . 1 . . . . 128 LEU H . 18740 1 392 . 1 1 107 107 LEU CA C 13 54.194 0.625 . 1 . . . . 128 LEU CA . 18740 1 393 . 1 1 107 107 LEU CB C 13 41.246 0.625 . 1 . . . . 128 LEU CB . 18740 1 394 . 1 1 107 107 LEU N N 15 121.348 0.10 . 1 . . . . 128 LEU N . 18740 1 395 . 1 1 108 108 THR H H 1 7.449 0.01 . 1 . . . . 129 THR H . 18740 1 396 . 1 1 108 108 THR CA C 13 59.527 0.625 . 1 . . . . 129 THR CA . 18740 1 397 . 1 1 108 108 THR CB C 13 70.543 0.625 . 1 . . . . 129 THR CB . 18740 1 398 . 1 1 108 108 THR N N 15 112.919 0.10 . 1 . . . . 129 THR N . 18740 1 399 . 1 1 109 109 LEU H H 1 8.692 0.01 . 1 . . . . 130 LEU H . 18740 1 400 . 1 1 109 109 LEU CA C 13 56.847 0.625 . 1 . . . . 130 LEU CA . 18740 1 401 . 1 1 109 109 LEU CB C 13 40.752 0.625 . 1 . . . . 130 LEU CB . 18740 1 402 . 1 1 109 109 LEU N N 15 122.732 0.10 . 1 . . . . 130 LEU N . 18740 1 403 . 1 1 110 110 ASP H H 1 8.278 0.01 . 1 . . . . 131 ASP H . 18740 1 404 . 1 1 110 110 ASP CA C 13 56.819 0.625 . 1 . . . . 131 ASP CA . 18740 1 405 . 1 1 110 110 ASP CB C 13 39.639 0.625 . 1 . . . . 131 ASP CB . 18740 1 406 . 1 1 110 110 ASP N N 15 117.077 0.10 . 1 . . . . 131 ASP N . 18740 1 407 . 1 1 111 111 ALA H H 1 7.811 0.01 . 1 . . . . 132 ALA H . 18740 1 408 . 1 1 111 111 ALA CA C 13 54.053 0.625 . 1 . . . . 132 ALA CA . 18740 1 409 . 1 1 111 111 ALA CB C 13 17.883 0.625 . 1 . . . . 132 ALA CB . 18740 1 410 . 1 1 111 111 ALA N N 15 120.888 0.10 . 1 . . . . 132 ALA N . 18740 1 411 . 1 1 112 112 LEU H H 1 7.676 0.01 . 1 . . . . 133 LEU H . 18740 1 412 . 1 1 112 112 LEU CA C 13 56.819 0.625 . 1 . . . . 133 LEU CA . 18740 1 413 . 1 1 112 112 LEU CB C 13 41.184 0.625 . 1 . . . . 133 LEU CB . 18740 1 414 . 1 1 112 112 LEU N N 15 117.673 0.10 . 1 . . . . 133 LEU N . 18740 1 415 . 1 1 113 113 LEU H H 1 7.770 0.01 . 1 . . . . 134 LEU H . 18740 1 416 . 1 1 113 113 LEU CA C 13 56.085 0.625 . 1 . . . . 134 LEU CA . 18740 1 417 . 1 1 113 113 LEU CB C 13 40.566 0.625 . 1 . . . . 134 LEU CB . 18740 1 418 . 1 1 113 113 LEU N N 15 116.042 0.10 . 1 . . . . 134 LEU N . 18740 1 419 . 1 1 114 114 GLU H H 1 7.517 0.01 . 1 . . . . 135 GLU H . 18740 1 420 . 1 1 114 114 GLU CA C 13 55.577 0.625 . 1 . . . . 135 GLU CA . 18740 1 421 . 1 1 114 114 GLU CB C 13 28.823 0.625 . 1 . . . . 135 GLU CB . 18740 1 422 . 1 1 114 114 GLU N N 15 116.793 0.10 . 1 . . . . 135 GLU N . 18740 1 423 . 1 1 115 115 MET H H 1 7.523 0.01 . 1 . . . . 136 MET H . 18740 1 424 . 1 1 115 115 MET CA C 13 55.859 0.625 . 1 . . . . 136 MET CA . 18740 1 425 . 1 1 115 115 MET CB C 13 32.160 0.625 . 1 . . . . 136 MET CB . 18740 1 426 . 1 1 115 115 MET N N 15 120.738 0.10 . 1 . . . . 136 MET N . 18740 1 427 . 1 1 116 116 ASP H H 1 7.858 0.01 . 1 . . . . 137 ASP H . 18740 1 428 . 1 1 116 116 ASP CA C 13 52.990 0.625 . 1 . . . . 137 ASP CA . 18740 1 429 . 1 1 116 116 ASP CB C 13 41.370 0.625 . 1 . . . . 137 ASP CB . 18740 1 430 . 1 1 116 116 ASP N N 15 121.278 0.10 . 1 . . . . 137 ASP N . 18740 1 431 . 1 1 117 117 GLU H H 1 8.958 0.01 . 1 . . . . 138 GLU H . 18740 1 432 . 1 1 117 117 GLU CA C 13 59.274 0.625 . 1 . . . . 138 GLU CA . 18740 1 433 . 1 1 117 117 GLU CB C 13 28.266 0.625 . 1 . . . . 138 GLU CB . 18740 1 434 . 1 1 117 117 GLU N N 15 123.375 0.10 . 1 . . . . 138 GLU N . 18740 1 435 . 1 1 118 118 ALA H H 1 8.137 0.01 . 1 . . . . 139 ALA H . 18740 1 436 . 1 1 118 118 ALA CA C 13 54.787 0.625 . 1 . . . . 139 ALA CA . 18740 1 437 . 1 1 118 118 ALA CB C 13 17.388 0.625 . 1 . . . . 139 ALA CB . 18740 1 438 . 1 1 118 118 ALA N N 15 121.995 0.10 . 1 . . . . 139 ALA N . 18740 1 439 . 1 1 119 119 LYS CA C 13 58.577 0.625 . 1 . . . . 140 LYS CA . 18740 1 440 . 1 1 119 119 LYS CB C 13 27.772 0.625 . 1 . . . . 140 LYS CB . 18740 1 441 . 1 1 120 120 ALA H H 1 8.132 0.01 . 1 . . . . 141 ALA H . 18740 1 442 . 1 1 120 120 ALA CA C 13 54.991 0.625 . 1 . . . . 141 ALA CA . 18740 1 443 . 1 1 120 120 ALA CB C 13 17.388 0.625 . 1 . . . . 141 ALA CB . 18740 1 444 . 1 1 120 120 ALA N N 15 123.019 0.10 . 1 . . . . 141 ALA N . 18740 1 445 . 1 1 121 121 LYS H H 1 8.227 0.01 . 1 . . . . 142 LYS H . 18740 1 446 . 1 1 121 121 LYS CA C 13 60.007 0.625 . 1 . . . . 142 LYS CA . 18740 1 447 . 1 1 121 121 LYS CB C 13 31.480 0.625 . 1 . . . . 142 LYS CB . 18740 1 448 . 1 1 121 121 LYS N N 15 116.595 0.10 . 1 . . . . 142 LYS N . 18740 1 449 . 1 1 122 122 GLU H H 1 7.809 0.01 . 1 . . . . 143 GLU H . 18740 1 450 . 1 1 122 122 GLU CA C 13 58.737 0.625 . 1 . . . . 143 GLU CA . 18740 1 451 . 1 1 122 122 GLU CB C 13 28.575 0.625 . 1 . . . . 143 GLU CB . 18740 1 452 . 1 1 122 122 GLU N N 15 119.590 0.10 . 1 . . . . 143 GLU N . 18740 1 453 . 1 1 123 123 MET H H 1 8.244 0.01 . 1 . . . . 144 MET H . 18740 1 454 . 1 1 123 123 MET CA C 13 58.568 0.625 . 1 . . . . 144 MET CA . 18740 1 455 . 1 1 123 123 MET CB C 13 27.710 0.625 . 1 . . . . 144 MET CB . 18740 1 456 . 1 1 123 123 MET N N 15 119.951 0.10 . 1 . . . . 144 MET N . 18740 1 457 . 1 1 124 124 LEU CA C 13 57.700 0.625 . 1 . . . . 145 LEU CA . 18740 1 458 . 1 1 124 124 LEU CB C 13 40.752 0.625 . 1 . . . . 145 LEU CB . 18740 1 459 . 1 1 125 125 ARG H H 1 8.043 0.01 . 1 . . . . 146 ARG H . 18740 1 460 . 1 1 125 125 ARG CA C 13 58.878 0.625 . 1 . . . . 146 ARG CA . 18740 1 461 . 1 1 125 125 ARG CB C 13 29.194 0.625 . 1 . . . . 146 ARG CB . 18740 1 462 . 1 1 125 125 ARG N N 15 118.896 0.10 . 1 . . . . 146 ARG N . 18740 1 463 . 1 1 126 126 ARG CA C 13 58.716 0.625 . 1 . . . . 147 ARG CA . 18740 1 464 . 1 1 126 126 ARG CB C 13 29.322 0.625 . 1 . . . . 147 ARG CB . 18740 1 465 . 1 1 127 127 TRP H H 1 8.011 0.01 . 1 . . . . 148 TRP H . 18740 1 466 . 1 1 127 127 TRP CA C 13 58.446 0.625 . 1 . . . . 148 TRP CA . 18740 1 467 . 1 1 127 127 TRP CB C 13 28.721 0.625 . 1 . . . . 148 TRP CB . 18740 1 468 . 1 1 127 127 TRP N N 15 120.110 0.10 . 1 . . . . 148 TRP N . 18740 1 469 . 1 1 128 128 GLY H H 1 8.336 0.01 . 1 . . . . 149 GLY H . 18740 1 470 . 1 1 128 128 GLY CA C 13 45.870 0.625 . 1 . . . . 149 GLY CA . 18740 1 471 . 1 1 128 128 GLY N N 15 106.829 0.10 . 1 . . . . 149 GLY N . 18740 1 472 . 1 1 129 129 ALA H H 1 7.859 0.01 . 1 . . . . 150 ALA H . 18740 1 473 . 1 1 129 129 ALA CA C 13 52.614 0.625 . 1 . . . . 150 ALA CA . 18740 1 474 . 1 1 129 129 ALA CB C 13 18.315 0.625 . 1 . . . . 150 ALA CB . 18740 1 475 . 1 1 129 129 ALA N N 15 123.003 0.10 . 1 . . . . 150 ALA N . 18740 1 476 . 1 1 130 130 SER H H 1 8.090 0.01 . 1 . . . . 151 SER H . 18740 1 477 . 1 1 130 130 SER CA C 13 58.433 0.625 . 1 . . . . 151 SER CA . 18740 1 478 . 1 1 130 130 SER CB C 13 63.620 0.625 . 1 . . . . 151 SER CB . 18740 1 479 . 1 1 130 130 SER N N 15 114.968 0.10 . 1 . . . . 151 SER N . 18740 1 480 . 1 1 131 131 THR H H 1 8.137 0.01 . 1 . . . . 152 THR H . 18740 1 481 . 1 1 131 131 THR CA C 13 63.139 0.625 . 1 . . . . 152 THR CA . 18740 1 482 . 1 1 131 131 THR CB C 13 68.812 0.625 . 1 . . . . 152 THR CB . 18740 1 483 . 1 1 131 131 THR N N 15 115.392 0.10 . 1 . . . . 152 THR N . 18740 1 484 . 1 1 132 132 GLU H H 1 8.327 0.01 . 1 . . . . 153 GLU H . 18740 1 485 . 1 1 132 132 GLU CA C 13 57.919 0.625 . 1 . . . . 153 GLU CA . 18740 1 486 . 1 1 132 132 GLU CB C 13 28.884 0.625 . 1 . . . . 153 GLU CB . 18740 1 487 . 1 1 132 132 GLU N N 15 122.293 0.10 . 1 . . . . 153 GLU N . 18740 1 488 . 1 1 133 133 GLU H H 1 8.195 0.01 . 1 . . . . 154 GLU H . 18740 1 489 . 1 1 133 133 GLU CA C 13 57.185 0.625 . 1 . . . . 154 GLU CA . 18740 1 490 . 1 1 133 133 GLU CB C 13 28.699 0.625 . 1 . . . . 154 GLU CB . 18740 1 491 . 1 1 133 133 GLU N N 15 118.825 0.10 . 1 . . . . 154 GLU N . 18740 1 492 . 1 1 134 134 CYS H H 1 7.993 0.01 . 1 . . . . 155 CYS H . 18740 1 493 . 1 1 134 134 CYS CA C 13 59.584 0.625 . 1 . . . . 155 CYS CA . 18740 1 494 . 1 1 134 134 CYS CB C 13 26.783 0.625 . 1 . . . . 155 CYS CB . 18740 1 495 . 1 1 134 134 CYS N N 15 118.528 0.10 . 1 . . . . 155 CYS N . 18740 1 496 . 1 1 135 135 SER H H 1 8.468 0.01 . 1 . . . . 156 SER H . 18740 1 497 . 1 1 135 135 SER CA C 13 59.951 0.625 . 1 . . . . 156 SER CA . 18740 1 498 . 1 1 135 135 SER CB C 13 62.693 0.625 . 1 . . . . 156 SER CB . 18740 1 499 . 1 1 135 135 SER N N 15 119.951 0.10 . 1 . . . . 156 SER N . 18740 1 500 . 1 1 136 136 ARG H H 1 8.577 0.01 . 1 . . . . 157 ARG H . 18740 1 501 . 1 1 136 136 ARG CA C 13 58.568 0.625 . 1 . . . . 157 ARG CA . 18740 1 502 . 1 1 136 136 ARG CB C 13 29.194 0.625 . 1 . . . . 157 ARG CB . 18740 1 503 . 1 1 136 136 ARG N N 15 122.681 0.10 . 1 . . . . 157 ARG N . 18740 1 504 . 1 1 137 137 LEU H H 1 7.943 0.01 . 1 . . . . 158 LEU H . 18740 1 505 . 1 1 137 137 LEU CA C 13 57.524 0.625 . 1 . . . . 158 LEU CA . 18740 1 506 . 1 1 137 137 LEU CB C 13 40.752 0.625 . 1 . . . . 158 LEU CB . 18740 1 507 . 1 1 137 137 LEU N N 15 119.602 0.10 . 1 . . . . 158 LEU N . 18740 1 508 . 1 1 138 138 GLN H H 1 8.017 0.01 . 1 . . . . 159 GLN H . 18740 1 509 . 1 1 138 138 GLN CA C 13 58.850 0.625 . 1 . . . . 159 GLN CA . 18740 1 510 . 1 1 138 138 GLN CB C 13 27.277 0.625 . 1 . . . . 159 GLN CB . 18740 1 511 . 1 1 138 138 GLN N N 15 118.195 0.10 . 1 . . . . 159 GLN N . 18740 1 512 . 1 1 139 139 GLN CA C 13 58.399 0.625 . 1 . . . . 160 GLN CA . 18740 1 513 . 1 1 139 139 GLN CB C 13 31.666 0.625 . 1 . . . . 160 GLN CB . 18740 1 514 . 1 1 140 140 ALA H H 1 8.205 0.01 . 1 . . . . 161 ALA H . 18740 1 515 . 1 1 140 140 ALA CA C 13 55.041 0.625 . 1 . . . . 161 ALA CA . 18740 1 516 . 1 1 140 140 ALA CB C 13 17.574 0.625 . 1 . . . . 161 ALA CB . 18740 1 517 . 1 1 140 140 ALA N N 15 122.139 0.10 . 1 . . . . 161 ALA N . 18740 1 518 . 1 1 141 141 LEU H H 1 8.245 0.01 . 1 . . . . 162 LEU H . 18740 1 519 . 1 1 141 141 LEU CA C 13 57.468 0.625 . 1 . . . . 162 LEU CA . 18740 1 520 . 1 1 141 141 LEU CB C 13 40.443 0.625 . 1 . . . . 162 LEU CB . 18740 1 521 . 1 1 141 141 LEU N N 15 117.631 0.10 . 1 . . . . 162 LEU N . 18740 1 522 . 1 1 142 142 THR H H 1 8.180 0.01 . 1 . . . . 163 THR H . 18740 1 523 . 1 1 142 142 THR CA C 13 66.300 0.625 . 1 . . . . 163 THR CA . 18740 1 524 . 1 1 142 142 THR CB C 13 68.322 0.625 . 1 . . . . 163 THR CB . 18740 1 525 . 1 1 142 142 THR N N 15 115.861 0.10 . 1 . . . . 163 THR N . 18740 1 526 . 1 1 143 143 CYS H H 1 7.851 0.01 . 1 . . . . 164 CYS H . 18740 1 527 . 1 1 143 143 CYS CA C 13 62.660 0.625 . 1 . . . . 164 CYS CA . 18740 1 528 . 1 1 143 143 CYS CB C 13 26.289 0.625 . 1 . . . . 164 CYS CB . 18740 1 529 . 1 1 143 143 CYS N N 15 120.475 0.10 . 1 . . . . 164 CYS N . 18740 1 530 . 1 1 144 144 LEU H H 1 8.090 0.01 . 1 . . . . 165 LEU H . 18740 1 531 . 1 1 144 144 LEU CA C 13 57.242 0.625 . 1 . . . . 165 LEU CA . 18740 1 532 . 1 1 144 144 LEU CB C 13 40.937 0.625 . 1 . . . . 165 LEU CB . 18740 1 533 . 1 1 144 144 LEU N N 15 119.876 0.10 . 1 . . . . 165 LEU N . 18740 1 534 . 1 1 145 145 ARG H H 1 8.064 0.01 . 1 . . . . 166 ARG H . 18740 1 535 . 1 1 145 145 ARG CA C 13 57.524 0.625 . 1 . . . . 166 ARG CA . 18740 1 536 . 1 1 145 145 ARG CB C 13 28.946 0.625 . 1 . . . . 166 ARG CB . 18740 1 537 . 1 1 145 145 ARG N N 15 117.696 0.10 . 1 . . . . 166 ARG N . 18740 1 538 . 1 1 146 146 LYS H H 1 7.792 0.01 . 1 . . . . 167 LYS H . 18740 1 539 . 1 1 146 146 LYS CA C 13 57.919 0.625 . 1 . . . . 167 LYS CA . 18740 1 540 . 1 1 146 146 LYS CB C 13 31.419 0.625 . 1 . . . . 167 LYS CB . 18740 1 541 . 1 1 146 146 LYS N N 15 119.566 0.10 . 1 . . . . 167 LYS N . 18740 1 542 . 1 1 147 147 VAL H H 1 7.800 0.01 . 1 . . . . 168 VAL H . 18740 1 543 . 1 1 147 147 VAL CA C 13 63.280 0.625 . 1 . . . . 168 VAL CA . 18740 1 544 . 1 1 147 147 VAL CB C 13 31.480 0.625 . 1 . . . . 168 VAL CB . 18740 1 545 . 1 1 147 147 VAL N N 15 116.222 0.10 . 1 . . . . 168 VAL N . 18740 1 546 . 1 1 148 148 THR H H 1 7.854 0.01 . 1 . . . . 169 THR H . 18740 1 547 . 1 1 148 148 THR CA C 13 62.236 0.625 . 1 . . . . 169 THR CA . 18740 1 548 . 1 1 148 148 THR CB C 13 69.492 0.625 . 1 . . . . 169 THR CB . 18740 1 549 . 1 1 148 148 THR N N 15 110.463 0.10 . 1 . . . . 169 THR N . 18740 1 550 . 1 1 149 149 GLY H H 1 7.790 0.01 . 1 . . . . 170 GLY H . 18740 1 551 . 1 1 149 149 GLY CA C 13 45.983 0.625 . 1 . . . . 170 GLY CA . 18740 1 552 . 1 1 149 149 GLY N N 15 116.775 0.10 . 1 . . . . 170 GLY N . 18740 1 stop_ save_