data_4798 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4798 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Frq1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-07-31 _Entry.Accession_date 2000-07-31 _Entry.Last_release_date 2000-09-03 _Entry.Original_release_date 2000-09-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Ames . B. . 4798 2 Kristin Hendricks . B. . 4798 3 Thomas Strahl . . . 4798 4 Inken Huttner . G. . 4798 5 Nobuko Hamasaki . . . 4798 6 Jeremy Thorner . . . 4798 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4798 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 393 4798 '13C chemical shifts' 355 4798 '15N chemical shifts' 114 4798 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 . . 2000-09-03 2000-07-31 original author . 4798 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4798 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20471909 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure and Calcium-binding Properties of frq1, a Novel Calcium Sensor in the Yeast Saccharomyces cerevisiae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 39 _Citation.Journal_issue 40 _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 12149 _Citation.Page_last 12161 _Citation.Year 2000 _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 James Ames . B. . 4798 1 2 Kristin Hendricks . B. . 4798 1 3 Thomas Strahl . . . 4798 1 4 Inken Huttner . G. . 4798 1 5 Nobuko Hamasaki . . . 4798 1 6 Jeremy Thorner . . . 4798 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1H and 15N Assigned Chemical Shifts for Frq1' 4798 1 'yeast frequenin' 4798 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Frq1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Frq1 _Assembly.Entry_ID 4798 _Assembly.ID 1 _Assembly.Name 'yeast frequenin' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4798 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Frq1 1 $Frq1 . . . native . . . . . 4798 1 2 'Ca I' 2 $CA . . . native . . . . . 4798 1 3 'Ca II' 2 $CA . . . native . . . . . 4798 1 4 'Ca III' 2 $CA . . . native . . . . . 4798 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'yeast frequenin' system 4798 1 Frq1 abbreviation 4798 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'activator of phosphatidylinositol 4-kinase' 4798 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Frq1 _Entity.Sf_category entity _Entity.Sf_framecode Frq1 _Entity.Entry_ID 4798 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Yeast frequenin' _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 ; MGAKTSKLSKDDLTCLKQST YFDRREIQQWHKGFLRDCPS GQLAREDFVKIYKQFFPFGS PEDFANHLFTVFDKDNNGFI HFEEFITVLSTTSRGTLEEK LSWAFELYDLNHDGYITFDE MLTIVASVYKMMGSMVTLNE DEATPEMRVKKIFKLMDKNE DGYITLDEFREGSKVDPSII GALNLYDGLI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 190 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1FPW . "Structure Of Yeast Frequenin" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 2 no PDB 2JU0 . "Structure Of Yeast Frequenin Bound To Pdtins 4-Kinase" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 3 no DBJ GAA22591 . "K7_Frq1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 4 no EMBL CAY78874 . "Frq1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 5 no GB AAB64809 . "Ydr373wp [Saccharomyces cerevisiae]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 6 no GB AHY75328 . "Frq1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 7 no GB EDN60701 . "frequenin-like protein [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 8 no GB EDV07959 . "calcium-binding protein NCS-1 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 9 no GB EDZ72897 . "YDR373Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 10 no REF NP_010661 . "Frq1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 11 no REF XP_011104984 . "frq1p [Saccharomyces arboricola H-6]" . . . . . 100.00 190 97.37 98.42 4.19e-133 . . . . 4798 1 12 no SP Q06389 . "RecName: Full=Calcium-binding protein NCS-1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 13 no TPG DAA12214 . "TPA: Frq1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 190 100.00 100.00 1.81e-137 . . . . 4798 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Yeast frequenin' common 4798 1 Frq1 abbreviation 4798 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 . 4798 1 2 . GLY . 4798 1 3 . ALA . 4798 1 4 . LYS . 4798 1 5 . THR . 4798 1 6 . SER . 4798 1 7 . LYS . 4798 1 8 . LEU . 4798 1 9 . SER . 4798 1 10 . LYS . 4798 1 11 . ASP . 4798 1 12 . ASP . 4798 1 13 . LEU . 4798 1 14 . THR . 4798 1 15 . CYS . 4798 1 16 . LEU . 4798 1 17 . LYS . 4798 1 18 . GLN . 4798 1 19 . SER . 4798 1 20 . THR . 4798 1 21 . TYR . 4798 1 22 . PHE . 4798 1 23 . ASP . 4798 1 24 . ARG . 4798 1 25 . ARG . 4798 1 26 . GLU . 4798 1 27 . ILE . 4798 1 28 . GLN . 4798 1 29 . GLN . 4798 1 30 . TRP . 4798 1 31 . HIS . 4798 1 32 . LYS . 4798 1 33 . GLY . 4798 1 34 . PHE . 4798 1 35 . LEU . 4798 1 36 . ARG . 4798 1 37 . ASP . 4798 1 38 . CYS . 4798 1 39 . PRO . 4798 1 40 . SER . 4798 1 41 . GLY . 4798 1 42 . GLN . 4798 1 43 . LEU . 4798 1 44 . ALA . 4798 1 45 . ARG . 4798 1 46 . GLU . 4798 1 47 . ASP . 4798 1 48 . PHE . 4798 1 49 . VAL . 4798 1 50 . LYS . 4798 1 51 . ILE . 4798 1 52 . TYR . 4798 1 53 . LYS . 4798 1 54 . GLN . 4798 1 55 . PHE . 4798 1 56 . PHE . 4798 1 57 . PRO . 4798 1 58 . PHE . 4798 1 59 . GLY . 4798 1 60 . SER . 4798 1 61 . PRO . 4798 1 62 . GLU . 4798 1 63 . ASP . 4798 1 64 . PHE . 4798 1 65 . ALA . 4798 1 66 . ASN . 4798 1 67 . HIS . 4798 1 68 . LEU . 4798 1 69 . PHE . 4798 1 70 . THR . 4798 1 71 . VAL . 4798 1 72 . PHE . 4798 1 73 . ASP . 4798 1 74 . LYS . 4798 1 75 . ASP . 4798 1 76 . ASN . 4798 1 77 . ASN . 4798 1 78 . GLY . 4798 1 79 . PHE . 4798 1 80 . ILE . 4798 1 81 . HIS . 4798 1 82 . PHE . 4798 1 83 . GLU . 4798 1 84 . GLU . 4798 1 85 . PHE . 4798 1 86 . ILE . 4798 1 87 . THR . 4798 1 88 . VAL . 4798 1 89 . LEU . 4798 1 90 . SER . 4798 1 91 . THR . 4798 1 92 . THR . 4798 1 93 . SER . 4798 1 94 . ARG . 4798 1 95 . GLY . 4798 1 96 . THR . 4798 1 97 . LEU . 4798 1 98 . GLU . 4798 1 99 . GLU . 4798 1 100 . LYS . 4798 1 101 . LEU . 4798 1 102 . SER . 4798 1 103 . TRP . 4798 1 104 . ALA . 4798 1 105 . PHE . 4798 1 106 . GLU . 4798 1 107 . LEU . 4798 1 108 . TYR . 4798 1 109 . ASP . 4798 1 110 . LEU . 4798 1 111 . ASN . 4798 1 112 . HIS . 4798 1 113 . ASP . 4798 1 114 . GLY . 4798 1 115 . TYR . 4798 1 116 . ILE . 4798 1 117 . THR . 4798 1 118 . PHE . 4798 1 119 . ASP . 4798 1 120 . GLU . 4798 1 121 . MET . 4798 1 122 . LEU . 4798 1 123 . THR . 4798 1 124 . ILE . 4798 1 125 . VAL . 4798 1 126 . ALA . 4798 1 127 . SER . 4798 1 128 . VAL . 4798 1 129 . TYR . 4798 1 130 . LYS . 4798 1 131 . MET . 4798 1 132 . MET . 4798 1 133 . GLY . 4798 1 134 . SER . 4798 1 135 . MET . 4798 1 136 . VAL . 4798 1 137 . THR . 4798 1 138 . LEU . 4798 1 139 . ASN . 4798 1 140 . GLU . 4798 1 141 . ASP . 4798 1 142 . GLU . 4798 1 143 . ALA . 4798 1 144 . THR . 4798 1 145 . PRO . 4798 1 146 . GLU . 4798 1 147 . MET . 4798 1 148 . ARG . 4798 1 149 . VAL . 4798 1 150 . LYS . 4798 1 151 . LYS . 4798 1 152 . ILE . 4798 1 153 . PHE . 4798 1 154 . LYS . 4798 1 155 . LEU . 4798 1 156 . MET . 4798 1 157 . ASP . 4798 1 158 . LYS . 4798 1 159 . ASN . 4798 1 160 . GLU . 4798 1 161 . ASP . 4798 1 162 . GLY . 4798 1 163 . TYR . 4798 1 164 . ILE . 4798 1 165 . THR . 4798 1 166 . LEU . 4798 1 167 . ASP . 4798 1 168 . GLU . 4798 1 169 . PHE . 4798 1 170 . ARG . 4798 1 171 . GLU . 4798 1 172 . GLY . 4798 1 173 . SER . 4798 1 174 . LYS . 4798 1 175 . VAL . 4798 1 176 . ASP . 4798 1 177 . PRO . 4798 1 178 . SER . 4798 1 179 . ILE . 4798 1 180 . ILE . 4798 1 181 . GLY . 4798 1 182 . ALA . 4798 1 183 . LEU . 4798 1 184 . ASN . 4798 1 185 . LEU . 4798 1 186 . TYR . 4798 1 187 . ASP . 4798 1 188 . GLY . 4798 1 189 . LEU . 4798 1 190 . ILE . 4798 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 4798 1 . GLY 2 2 4798 1 . ALA 3 3 4798 1 . LYS 4 4 4798 1 . THR 5 5 4798 1 . SER 6 6 4798 1 . LYS 7 7 4798 1 . LEU 8 8 4798 1 . SER 9 9 4798 1 . LYS 10 10 4798 1 . ASP 11 11 4798 1 . ASP 12 12 4798 1 . LEU 13 13 4798 1 . THR 14 14 4798 1 . CYS 15 15 4798 1 . LEU 16 16 4798 1 . LYS 17 17 4798 1 . GLN 18 18 4798 1 . SER 19 19 4798 1 . THR 20 20 4798 1 . TYR 21 21 4798 1 . PHE 22 22 4798 1 . ASP 23 23 4798 1 . ARG 24 24 4798 1 . ARG 25 25 4798 1 . GLU 26 26 4798 1 . ILE 27 27 4798 1 . GLN 28 28 4798 1 . GLN 29 29 4798 1 . TRP 30 30 4798 1 . HIS 31 31 4798 1 . LYS 32 32 4798 1 . GLY 33 33 4798 1 . PHE 34 34 4798 1 . LEU 35 35 4798 1 . ARG 36 36 4798 1 . ASP 37 37 4798 1 . CYS 38 38 4798 1 . PRO 39 39 4798 1 . SER 40 40 4798 1 . GLY 41 41 4798 1 . GLN 42 42 4798 1 . LEU 43 43 4798 1 . ALA 44 44 4798 1 . ARG 45 45 4798 1 . GLU 46 46 4798 1 . ASP 47 47 4798 1 . PHE 48 48 4798 1 . VAL 49 49 4798 1 . LYS 50 50 4798 1 . ILE 51 51 4798 1 . TYR 52 52 4798 1 . LYS 53 53 4798 1 . GLN 54 54 4798 1 . PHE 55 55 4798 1 . PHE 56 56 4798 1 . PRO 57 57 4798 1 . PHE 58 58 4798 1 . GLY 59 59 4798 1 . SER 60 60 4798 1 . PRO 61 61 4798 1 . GLU 62 62 4798 1 . ASP 63 63 4798 1 . PHE 64 64 4798 1 . ALA 65 65 4798 1 . ASN 66 66 4798 1 . HIS 67 67 4798 1 . LEU 68 68 4798 1 . PHE 69 69 4798 1 . THR 70 70 4798 1 . VAL 71 71 4798 1 . PHE 72 72 4798 1 . ASP 73 73 4798 1 . LYS 74 74 4798 1 . ASP 75 75 4798 1 . ASN 76 76 4798 1 . ASN 77 77 4798 1 . GLY 78 78 4798 1 . PHE 79 79 4798 1 . ILE 80 80 4798 1 . HIS 81 81 4798 1 . PHE 82 82 4798 1 . GLU 83 83 4798 1 . GLU 84 84 4798 1 . PHE 85 85 4798 1 . ILE 86 86 4798 1 . THR 87 87 4798 1 . VAL 88 88 4798 1 . LEU 89 89 4798 1 . SER 90 90 4798 1 . THR 91 91 4798 1 . THR 92 92 4798 1 . SER 93 93 4798 1 . ARG 94 94 4798 1 . GLY 95 95 4798 1 . THR 96 96 4798 1 . LEU 97 97 4798 1 . GLU 98 98 4798 1 . GLU 99 99 4798 1 . LYS 100 100 4798 1 . LEU 101 101 4798 1 . SER 102 102 4798 1 . TRP 103 103 4798 1 . ALA 104 104 4798 1 . PHE 105 105 4798 1 . GLU 106 106 4798 1 . LEU 107 107 4798 1 . TYR 108 108 4798 1 . ASP 109 109 4798 1 . LEU 110 110 4798 1 . ASN 111 111 4798 1 . HIS 112 112 4798 1 . ASP 113 113 4798 1 . GLY 114 114 4798 1 . TYR 115 115 4798 1 . ILE 116 116 4798 1 . THR 117 117 4798 1 . PHE 118 118 4798 1 . ASP 119 119 4798 1 . GLU 120 120 4798 1 . MET 121 121 4798 1 . LEU 122 122 4798 1 . THR 123 123 4798 1 . ILE 124 124 4798 1 . VAL 125 125 4798 1 . ALA 126 126 4798 1 . SER 127 127 4798 1 . VAL 128 128 4798 1 . TYR 129 129 4798 1 . LYS 130 130 4798 1 . MET 131 131 4798 1 . MET 132 132 4798 1 . GLY 133 133 4798 1 . SER 134 134 4798 1 . MET 135 135 4798 1 . VAL 136 136 4798 1 . THR 137 137 4798 1 . LEU 138 138 4798 1 . ASN 139 139 4798 1 . GLU 140 140 4798 1 . ASP 141 141 4798 1 . GLU 142 142 4798 1 . ALA 143 143 4798 1 . THR 144 144 4798 1 . PRO 145 145 4798 1 . GLU 146 146 4798 1 . MET 147 147 4798 1 . ARG 148 148 4798 1 . VAL 149 149 4798 1 . LYS 150 150 4798 1 . LYS 151 151 4798 1 . ILE 152 152 4798 1 . PHE 153 153 4798 1 . LYS 154 154 4798 1 . LEU 155 155 4798 1 . MET 156 156 4798 1 . ASP 157 157 4798 1 . LYS 158 158 4798 1 . ASN 159 159 4798 1 . GLU 160 160 4798 1 . ASP 161 161 4798 1 . GLY 162 162 4798 1 . TYR 163 163 4798 1 . ILE 164 164 4798 1 . THR 165 165 4798 1 . LEU 166 166 4798 1 . ASP 167 167 4798 1 . GLU 168 168 4798 1 . PHE 169 169 4798 1 . ARG 170 170 4798 1 . GLU 171 171 4798 1 . GLY 172 172 4798 1 . SER 173 173 4798 1 . LYS 174 174 4798 1 . VAL 175 175 4798 1 . ASP 176 176 4798 1 . PRO 177 177 4798 1 . SER 178 178 4798 1 . ILE 179 179 4798 1 . ILE 180 180 4798 1 . GLY 181 181 4798 1 . ALA 182 182 4798 1 . LEU 183 183 4798 1 . ASN 184 184 4798 1 . LEU 185 185 4798 1 . TYR 186 186 4798 1 . ASP 187 187 4798 1 . GLY 188 188 4798 1 . LEU 189 189 4798 1 . ILE 190 190 4798 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 4798 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . CA . 4798 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4798 _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 $Frq1 . 4932 organism . 'Saccharomyces cerevisiae' 'budding yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4798 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 4798 _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 $Frq1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4798 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 4798 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:31:50 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca+2] SMILES ACDLabs 10.04 4798 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4798 CA [Ca++] SMILES CACTVS 3.341 4798 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4798 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4798 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4798 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4798 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 4798 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4798 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4798 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4798 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Yeast frequenin' '[U-95% 13C; U-90% 15N]' . . 1 $Frq1 . . 0.8 . . mM . . . . 4798 1 2 'octyl glucoside' . . . . . . . 20 . . mM . . . . 4798 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4798 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 0.1 n/a 4798 1 temperature 318 1 K 4798 1 'ionic strength' 0.05 0.01 M 4798 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4798 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4798 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 4798 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 4798 _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 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4798 1 2 '1H-15N TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4798 1 3 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4798 1 4 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4798 1 5 CBCACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4798 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4798 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance probe with triple axis pulsed-field gradients' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4798 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance probe with triple axis pulsed-field gradients' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4798 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance probe with triple axis pulsed-field gradients' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4798 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance probe with triple axis pulsed-field gradients' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4798 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance probe with triple axis pulsed-field gradients' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4798 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4798 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4798 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4798 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4798 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4798 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 13 13 LEU HA H 1 4.37 0.04 . 1 . . . . . . . . 4798 1 2 . 1 1 13 13 LEU HB2 H 1 1.70 0.04 . 2 . . . . . . . . 4798 1 3 . 1 1 13 13 LEU C C 13 178.10 0.3 . 1 . . . . . . . . 4798 1 4 . 1 1 13 13 LEU CA C 13 55.76 0.3 . 1 . . . . . . . . 4798 1 5 . 1 1 13 13 LEU CB C 13 42.10 0.3 . 1 . . . . . . . . 4798 1 6 . 1 1 14 14 THR H H 1 8.09 0.04 . 1 . . . . . . . . 4798 1 7 . 1 1 14 14 THR HA H 1 4.57 0.04 . 1 . . . . . . . . 4798 1 8 . 1 1 14 14 THR HB H 1 4.20 0.04 . 1 . . . . . . . . 4798 1 9 . 1 1 14 14 THR CA C 13 62.41 0.3 . 1 . . . . . . . . 4798 1 10 . 1 1 14 14 THR CB C 13 69.85 0.3 . 1 . . . . . . . . 4798 1 11 . 1 1 14 14 THR N N 15 113.76 0.3 . 1 . . . . . . . . 4798 1 12 . 1 1 39 39 PRO HA H 1 4.49 0.04 . 1 . . . . . . . . 4798 1 13 . 1 1 39 39 PRO C C 13 177.39 0.3 . 1 . . . . . . . . 4798 1 14 . 1 1 39 39 PRO CA C 13 64.39 0.3 . 1 . . . . . . . . 4798 1 15 . 1 1 39 39 PRO CB C 13 32.15 0.3 . 1 . . . . . . . . 4798 1 16 . 1 1 40 40 SER H H 1 8.18 0.04 . 1 . . . . . . . . 4798 1 17 . 1 1 40 40 SER N N 15 113.39 0.3 . 1 . . . . . . . . 4798 1 18 . 1 1 41 41 GLY H H 1 8.33 0.04 . 1 . . . . . . . . 4798 1 19 . 1 1 41 41 GLY HA2 H 1 3.80 0.03 . 2 . . . . . . . . 4798 1 20 . 1 1 41 41 GLY C C 13 172.37 0.3 . 1 . . . . . . . . 4798 1 21 . 1 1 41 41 GLY CA C 13 45.75 0.3 . 1 . . . . . . . . 4798 1 22 . 1 1 41 41 GLY N N 15 110.11 0.3 . 1 . . . . . . . . 4798 1 23 . 1 1 42 42 GLN H H 1 7.68 0.3 . 1 . . . . . . . . 4798 1 24 . 1 1 42 42 GLN HA H 1 5.08 0.04 . 1 . . . . . . . . 4798 1 25 . 1 1 42 42 GLN C C 13 173.71 0.3 . 1 . . . . . . . . 4798 1 26 . 1 1 42 42 GLN CA C 13 54.34 0.3 . 1 . . . . . . . . 4798 1 27 . 1 1 42 42 GLN CB C 13 32.00 0.3 . 1 . . . . . . . . 4798 1 28 . 1 1 42 42 GLN N N 15 116.24 0.3 . 1 . . . . . . . . 4798 1 29 . 1 1 43 43 LEU H H 1 8.83 0.04 . 1 . . . . . . . . 4798 1 30 . 1 1 43 43 LEU HA H 1 4.96 0.04 . 1 . . . . . . . . 4798 1 31 . 1 1 43 43 LEU HB2 H 1 1.98 0.04 . 2 . . . . . . . . 4798 1 32 . 1 1 43 43 LEU HB3 H 1 1.72 0.04 . 2 . . . . . . . . 4798 1 33 . 1 1 43 43 LEU C C 13 175.81 0.3 . 1 . . . . . . . . 4798 1 34 . 1 1 43 43 LEU CA C 13 54.18 0.3 . 1 . . . . . . . . 4798 1 35 . 1 1 43 43 LEU CB C 13 45.52 0.3 . 1 . . . . . . . . 4798 1 36 . 1 1 43 43 LEU N N 15 123.31 0.3 . 1 . . . . . . . . 4798 1 37 . 1 1 44 44 ALA H H 1 9.53 0.04 . 1 . . . . . . . . 4798 1 38 . 1 1 44 44 ALA HA H 1 4.76 0.04 . 1 . . . . . . . . 4798 1 39 . 1 1 44 44 ALA HB1 H 1 1.58 0.04 . 1 . . . . . . . . 4798 1 40 . 1 1 44 44 ALA HB2 H 1 1.58 0.04 . 1 . . . . . . . . 4798 1 41 . 1 1 44 44 ALA HB3 H 1 1.58 0.04 . 1 . . . . . . . . 4798 1 42 . 1 1 44 44 ALA C C 13 178.49 0.3 . 1 . . . . . . . . 4798 1 43 . 1 1 44 44 ALA CA C 13 51.26 0.3 . 1 . . . . . . . . 4798 1 44 . 1 1 44 44 ALA CB C 13 20.51 0.3 . 1 . . . . . . . . 4798 1 45 . 1 1 44 44 ALA N N 15 129.76 0.3 . 1 . . . . . . . . 4798 1 46 . 1 1 45 45 ARG H H 1 7.69 0.04 . 1 . . . . . . . . 4798 1 47 . 1 1 45 45 ARG HA H 1 2.78 0.04 . 1 . . . . . . . . 4798 1 48 . 1 1 45 45 ARG HB2 H 1 1.29 0.04 . 2 . . . . . . . . 4798 1 49 . 1 1 45 45 ARG HB3 H 1 0.88 0.04 . 2 . . . . . . . . 4798 1 50 . 1 1 45 45 ARG C C 13 177.80 0.3 . 1 . . . . . . . . 4798 1 51 . 1 1 45 45 ARG CA C 13 60.86 0.3 . 1 . . . . . . . . 4798 1 52 . 1 1 45 45 ARG CB C 13 30.53 0.3 . 1 . . . . . . . . 4798 1 53 . 1 1 45 45 ARG N N 15 123.29 0.3 . 1 . . . . . . . . 4798 1 54 . 1 1 46 46 GLU H H 1 9.00 0.04 . 1 . . . . . . . . 4798 1 55 . 1 1 46 46 GLU HA H 1 3.89 0.04 . 1 . . . . . . . . 4798 1 56 . 1 1 46 46 GLU HB2 H 1 1.94 0.04 . 2 . . . . . . . . 4798 1 57 . 1 1 46 46 GLU C C 13 178.83 0.3 . 1 . . . . . . . . 4798 1 58 . 1 1 46 46 GLU CA C 13 59.87 0.3 . 1 . . . . . . . . 4798 1 59 . 1 1 46 46 GLU CB C 13 29.14 0.3 . 1 . . . . . . . . 4798 1 60 . 1 1 46 46 GLU N N 15 115.41 0.3 . 1 . . . . . . . . 4798 1 61 . 1 1 47 47 ASP H H 1 6.93 0.04 . 1 . . . . . . . . 4798 1 62 . 1 1 47 47 ASP HA H 1 4.35 0.04 . 1 . . . . . . . . 4798 1 63 . 1 1 47 47 ASP HB2 H 1 1.84 0.04 . 2 . . . . . . . . 4798 1 64 . 1 1 47 47 ASP HB3 H 1 2.91 0.04 . 2 . . . . . . . . 4798 1 65 . 1 1 47 47 ASP C C 13 177.61 0.3 . 1 . . . . . . . . 4798 1 66 . 1 1 47 47 ASP CA C 13 57.15 0.3 . 1 . . . . . . . . 4798 1 67 . 1 1 47 47 ASP CB C 13 42.05 0.3 . 1 . . . . . . . . 4798 1 68 . 1 1 47 47 ASP N N 15 117.93 0.3 . 1 . . . . . . . . 4798 1 69 . 1 1 48 48 PHE H H 1 8.24 0.04 . 1 . . . . . . . . 4798 1 70 . 1 1 48 48 PHE HA H 1 4.21 0.04 . 1 . . . . . . . . 4798 1 71 . 1 1 48 48 PHE HB2 H 1 3.14 0.04 . 2 . . . . . . . . 4798 1 72 . 1 1 48 48 PHE C C 13 176.62 0.3 . 1 . . . . . . . . 4798 1 73 . 1 1 48 48 PHE CA C 13 62.20 0.3 . 1 . . . . . . . . 4798 1 74 . 1 1 48 48 PHE CB C 13 40.11 0.3 . 1 . . . . . . . . 4798 1 75 . 1 1 48 48 PHE N N 15 120.68 0.3 . 1 . . . . . . . . 4798 1 76 . 1 1 49 49 VAL H H 1 8.38 0.04 . 1 . . . . . . . . 4798 1 77 . 1 1 49 49 VAL HA H 1 3.40 0.04 . 1 . . . . . . . . 4798 1 78 . 1 1 49 49 VAL HB H 1 2.13 0.04 . 1 . . . . . . . . 4798 1 79 . 1 1 49 49 VAL C C 13 177.18 0.3 . 1 . . . . . . . . 4798 1 80 . 1 1 49 49 VAL CA C 13 67.24 0.3 . 1 . . . . . . . . 4798 1 81 . 1 1 49 49 VAL CB C 13 31.58 0.3 . 1 . . . . . . . . 4798 1 82 . 1 1 49 49 VAL N N 15 118.22 0.3 . 1 . . . . . . . . 4798 1 83 . 1 1 50 50 LYS H H 1 7.45 0.04 . 1 . . . . . . . . 4798 1 84 . 1 1 50 50 LYS HA H 1 3.93 0.04 . 1 . . . . . . . . 4798 1 85 . 1 1 50 50 LYS HB2 H 1 1.99 0.04 . 2 . . . . . . . . 4798 1 86 . 1 1 50 50 LYS C C 13 179.24 0.3 . 1 . . . . . . . . 4798 1 87 . 1 1 50 50 LYS CA C 13 60.38 0.3 . 1 . . . . . . . . 4798 1 88 . 1 1 50 50 LYS CB C 13 32.77 0.3 . 1 . . . . . . . . 4798 1 89 . 1 1 50 50 LYS N N 15 118.06 0.3 . 1 . . . . . . . . 4798 1 90 . 1 1 51 51 ILE H H 1 7.84 0.04 . 1 . . . . . . . . 4798 1 91 . 1 1 51 51 ILE HA H 1 3.73 0.04 . 1 . . . . . . . . 4798 1 92 . 1 1 51 51 ILE HB H 1 1.85 0.04 . 1 . . . . . . . . 4798 1 93 . 1 1 51 51 ILE C C 13 177.42 0.3 . 1 . . . . . . . . 4798 1 94 . 1 1 51 51 ILE CA C 13 64.71 0.3 . 1 . . . . . . . . 4798 1 95 . 1 1 51 51 ILE CB C 13 38.42 0.3 . 1 . . . . . . . . 4798 1 96 . 1 1 51 51 ILE N N 15 119.45 0.3 . 1 . . . . . . . . 4798 1 97 . 1 1 52 52 TYR H H 1 8.36 0.04 . 1 . . . . . . . . 4798 1 98 . 1 1 52 52 TYR HA H 1 3.87 0.04 . 1 . . . . . . . . 4798 1 99 . 1 1 52 52 TYR HB2 H 1 2.99 0.04 . 2 . . . . . . . . 4798 1 100 . 1 1 52 52 TYR HB3 H 1 2.60 0.04 . 2 . . . . . . . . 4798 1 101 . 1 1 52 52 TYR C C 13 177.71 0.3 . 1 . . . . . . . . 4798 1 102 . 1 1 52 52 TYR CA C 13 63.03 0.3 . 1 . . . . . . . . 4798 1 103 . 1 1 52 52 TYR CB C 13 39.03 0.3 . 1 . . . . . . . . 4798 1 104 . 1 1 52 52 TYR N N 15 121.14 0.3 . 1 . . . . . . . . 4798 1 105 . 1 1 53 53 LYS H H 1 8.21 0.04 . 1 . . . . . . . . 4798 1 106 . 1 1 53 53 LYS HA H 1 3.94 0.04 . 1 . . . . . . . . 4798 1 107 . 1 1 53 53 LYS HB2 H 1 1.89 0.04 . 2 . . . . . . . . 4798 1 108 . 1 1 53 53 LYS C C 13 177.54 0.3 . 1 . . . . . . . . 4798 1 109 . 1 1 53 53 LYS CA C 13 59.05 0.04 . 1 . . . . . . . . 4798 1 110 . 1 1 53 53 LYS CB C 13 32.37 0.04 . 1 . . . . . . . . 4798 1 111 . 1 1 53 53 LYS N N 15 115.92 0.3 . 1 . . . . . . . . 4798 1 112 . 1 1 54 54 GLN H H 1 7.42 0.04 . 1 . . . . . . . . 4798 1 113 . 1 1 54 54 GLN HA H 1 3.89 0.04 . 1 . . . . . . . . 4798 1 114 . 1 1 54 54 GLN HB2 H 1 1.98 0.04 . 2 . . . . . . . . 4798 1 115 . 1 1 54 54 GLN HB3 H 1 1.85 0.04 . 2 . . . . . . . . 4798 1 116 . 1 1 54 54 GLN C C 13 177.24 0.3 . 1 . . . . . . . . 4798 1 117 . 1 1 54 54 GLN CA C 13 57.92 0.3 . 1 . . . . . . . . 4798 1 118 . 1 1 54 54 GLN CB C 13 28.44 0.3 . 1 . . . . . . . . 4798 1 119 . 1 1 54 54 GLN N N 15 116.51 0.3 . 1 . . . . . . . . 4798 1 120 . 1 1 55 55 PHE H H 1 7.33 0.04 . 1 . . . . . . . . 4798 1 121 . 1 1 55 55 PHE HA H 1 4.24 0.04 . 1 . . . . . . . . 4798 1 122 . 1 1 55 55 PHE HB2 H 1 2.47 0.04 . 2 . . . . . . . . 4798 1 123 . 1 1 55 55 PHE CA C 13 59.35 0.3 . 1 . . . . . . . . 4798 1 124 . 1 1 55 55 PHE CB C 13 40.27 0.3 . 1 . . . . . . . . 4798 1 125 . 1 1 55 55 PHE N N 15 116.09 0.3 . 1 . . . . . . . . 4798 1 126 . 1 1 65 65 ALA HA H 1 3.58 0.04 . 1 . . . . . . . . 4798 1 127 . 1 1 65 65 ALA HB1 H 1 1.29 0.04 . 1 . . . . . . . . 4798 1 128 . 1 1 65 65 ALA HB2 H 1 1.29 0.04 . 1 . . . . . . . . 4798 1 129 . 1 1 65 65 ALA HB3 H 1 1.29 0.04 . 1 . . . . . . . . 4798 1 130 . 1 1 65 65 ALA C C 13 179.25 0.3 . 1 . . . . . . . . 4798 1 131 . 1 1 65 65 ALA CA C 13 55.50 0.3 . 1 . . . . . . . . 4798 1 132 . 1 1 65 65 ALA CB C 13 19.08 0.3 . 1 . . . . . . . . 4798 1 133 . 1 1 66 66 ASN H H 1 8.21 0.04 . 1 . . . . . . . . 4798 1 134 . 1 1 66 66 ASN HA H 1 4.31 0.04 . 1 . . . . . . . . 4798 1 135 . 1 1 66 66 ASN CA C 13 56.51 0.3 . 1 . . . . . . . . 4798 1 136 . 1 1 66 66 ASN CB C 13 38.46 0.3 . 1 . . . . . . . . 4798 1 137 . 1 1 66 66 ASN N N 15 115.26 0.3 . 1 . . . . . . . . 4798 1 138 . 1 1 73 73 ASP HA H 1 4.69 0.04 . 1 . . . . . . . . 4798 1 139 . 1 1 73 73 ASP HB2 H 1 1.74 0.04 . 2 . . . . . . . . 4798 1 140 . 1 1 73 73 ASP HB3 H 1 2.76 0.04 . 2 . . . . . . . . 4798 1 141 . 1 1 73 73 ASP C C 13 177.67 0.3 . 1 . . . . . . . . 4798 1 142 . 1 1 73 73 ASP CA C 13 52.54 0.3 . 1 . . . . . . . . 4798 1 143 . 1 1 73 73 ASP CB C 13 39.00 0.3 . 1 . . . . . . . . 4798 1 144 . 1 1 74 74 LYS H H 1 7.78 0.041 . 1 . . . . . . . . 4798 1 145 . 1 1 74 74 LYS HA H 1 3.99 0.04 . 1 . . . . . . . . 4798 1 146 . 1 1 74 74 LYS HB2 H 1 1.84 0.04 . 1 . . . . . . . . 4798 1 147 . 1 1 74 74 LYS C C 13 177.68 0.3 . 1 . . . . . . . . 4798 1 148 . 1 1 74 74 LYS CA C 13 58.53 0.3 . 1 . . . . . . . . 4798 1 149 . 1 1 74 74 LYS CB C 13 32.71 0.3 . 1 . . . . . . . . 4798 1 150 . 1 1 74 74 LYS N N 15 126.55 0.3 . 1 . . . . . . . . 4798 1 151 . 1 1 75 75 ASP H H 1 8.13 0.04 . 1 . . . . . . . . 4798 1 152 . 1 1 75 75 ASP HA H 1 4.61 0.04 . 1 . . . . . . . . 4798 1 153 . 1 1 75 75 ASP HB2 H 1 2.59 0.04 . 2 . . . . . . . . 4798 1 154 . 1 1 75 75 ASP HB3 H 1 3.09 0.04 . 2 . . . . . . . . 4798 1 155 . 1 1 75 75 ASP C C 13 176.15 0.3 . 1 . . . . . . . . 4798 1 156 . 1 1 75 75 ASP CA C 13 52.61 0.3 . 1 . . . . . . . . 4798 1 157 . 1 1 75 75 ASP CB C 13 39.47 0.3 . 1 . . . . . . . . 4798 1 158 . 1 1 75 75 ASP N N 15 114.66 0.3 . 1 . . . . . . . . 4798 1 159 . 1 1 76 76 ASN H H 1 7.97 0.04 . 1 . . . . . . . . 4798 1 160 . 1 1 76 76 ASN HA H 1 4.37 0.04 . 1 . . . . . . . . 4798 1 161 . 1 1 76 76 ASN HB2 H 1 2.62 0.04 . 2 . . . . . . . . 4798 1 162 . 1 1 76 76 ASN HB3 H 1 3.12 0.04 . 2 . . . . . . . . 4798 1 163 . 1 1 76 76 ASN C C 13 174.78 0.3 . 1 . . . . . . . . 4798 1 164 . 1 1 76 76 ASN CA C 13 54.38 0.3 . 1 . . . . . . . . 4798 1 165 . 1 1 76 76 ASN CB C 13 38.12 0.3 . 1 . . . . . . . . 4798 1 166 . 1 1 76 76 ASN N N 15 116.22 0.3 . 1 . . . . . . . . 4798 1 167 . 1 1 77 77 ASN H H 1 8.50 0.04 . 1 . . . . . . . . 4798 1 168 . 1 1 77 77 ASN HA H 1 4.90 0.04 . 1 . . . . . . . . 4798 1 169 . 1 1 77 77 ASN HB2 H 1 2.63 0.04 . 2 . . . . . . . . 4798 1 170 . 1 1 77 77 ASN HB3 H 1 3.44 0.04 . 2 . . . . . . . . 4798 1 171 . 1 1 77 77 ASN C C 13 176.77 0.3 . 1 . . . . . . . . 4798 1 172 . 1 1 77 77 ASN CA C 13 52.45 0.3 . 1 . . . . . . . . 4798 1 173 . 1 1 77 77 ASN CB C 13 38.87 0.3 . 1 . . . . . . . . 4798 1 174 . 1 1 77 77 ASN N N 15 117.37 0.3 . 1 . . . . . . . . 4798 1 175 . 1 1 78 78 GLY H H 1 10.53 0.04 . 1 . . . . . . . . 4798 1 176 . 1 1 78 78 GLY HA2 H 1 4.11 0.04 . 2 . . . . . . . . 4798 1 177 . 1 1 78 78 GLY HA3 H 1 3.53 0.04 . 2 . . . . . . . . 4798 1 178 . 1 1 78 78 GLY C C 13 173.15 0.3 . 1 . . . . . . . . 4798 1 179 . 1 1 78 78 GLY CA C 13 45.63 0.3 . 1 . . . . . . . . 4798 1 180 . 1 1 78 78 GLY N N 15 112.50 0.3 . 1 . . . . . . . . 4798 1 181 . 1 1 79 79 PHE H H 1 7.88 0.04 . 1 . . . . . . . . 4798 1 182 . 1 1 79 79 PHE HA H 1 5.60 0.04 . 1 . . . . . . . . 4798 1 183 . 1 1 79 79 PHE C C 13 175.35 0.3 . 1 . . . . . . . . 4798 1 184 . 1 1 79 79 PHE CA C 13 56.61 0.3 . 1 . . . . . . . . 4798 1 185 . 1 1 79 79 PHE CB C 13 44.43 0.3 . 1 . . . . . . . . 4798 1 186 . 1 1 79 79 PHE N N 15 116.93 0.3 . 1 . . . . . . . . 4798 1 187 . 1 1 80 80 ILE H H 1 9.64 0.04 . 1 . . . . . . . . 4798 1 188 . 1 1 80 80 ILE HA H 1 5.43 0.04 . 1 . . . . . . . . 4798 1 189 . 1 1 80 80 ILE C C 13 175.67 0.3 . 1 . . . . . . . . 4798 1 190 . 1 1 80 80 ILE N N 15 124.73 0.3 . 1 . . . . . . . . 4798 1 191 . 1 1 82 82 PHE H H 1 8.62 0.04 . 1 . . . . . . . . 4798 1 192 . 1 1 82 82 PHE HA H 1 3.50 0.04 . 1 . . . . . . . . 4798 1 193 . 1 1 82 82 PHE HB2 H 1 2.70 0.04 . 2 . . . . . . . . 4798 1 194 . 1 1 82 82 PHE C C 13 175.83 0.3 . 1 . . . . . . . . 4798 1 195 . 1 1 82 82 PHE CA C 13 61.70 0.3 . 1 . . . . . . . . 4798 1 196 . 1 1 82 82 PHE CB C 13 39.29 0.3 . 1 . . . . . . . . 4798 1 197 . 1 1 82 82 PHE N N 15 117.23 0.3 . 1 . . . . . . . . 4798 1 198 . 1 1 84 84 GLU H H 1 8.18 0.04 . 1 . . . . . . . . 4798 1 199 . 1 1 84 84 GLU HA H 1 3.91 0.04 . 1 . . . . . . . . 4798 1 200 . 1 1 84 84 GLU HB2 H 1 2.14 0.04 . 2 . . . . . . . . 4798 1 201 . 1 1 84 84 GLU C C 13 179.12 0.3 . 1 . . . . . . . . 4798 1 202 . 1 1 84 84 GLU CA C 13 58.48 0.3 . 1 . . . . . . . . 4798 1 203 . 1 1 84 84 GLU CB C 13 30.34 0.3 . 1 . . . . . . . . 4798 1 204 . 1 1 84 84 GLU N N 15 117.8 0.3 . 1 . . . . . . . . 4798 1 205 . 1 1 85 85 PHE H H 1 8.55 0.04 . 1 . . . . . . . . 4798 1 206 . 1 1 85 85 PHE HA H 1 3.91 0.04 . 1 . . . . . . . . 4798 1 207 . 1 1 85 85 PHE HB2 H 1 2.89 0.04 . 2 . . . . . . . . 4798 1 208 . 1 1 85 85 PHE C C 13 175.50 0.3 . 1 . . . . . . . . 4798 1 209 . 1 1 85 85 PHE CA C 13 60.50 0.3 . 1 . . . . . . . . 4798 1 210 . 1 1 85 85 PHE CB C 13 38.64 0.3 . 1 . . . . . . . . 4798 1 211 . 1 1 85 85 PHE N N 15 120.41 0.3 . 1 . . . . . . . . 4798 1 212 . 1 1 87 87 THR HA H 1 3.89 0.04 . 1 . . . . . . . . 4798 1 213 . 1 1 87 87 THR HB H 1 4.36 0.04 . 1 . . . . . . . . 4798 1 214 . 1 1 87 87 THR C C 13 175.67 0.3 . 1 . . . . . . . . 4798 1 215 . 1 1 87 87 THR CA C 13 66.08 0.3 . 1 . . . . . . . . 4798 1 216 . 1 1 87 87 THR CB C 13 69.07 0.3 . 1 . . . . . . . . 4798 1 217 . 1 1 88 88 VAL H H 1 7.27 0.04 . 1 . . . . . . . . 4798 1 218 . 1 1 88 88 VAL HA H 1 3.53 0.04 . 1 . . . . . . . . 4798 1 219 . 1 1 88 88 VAL C C 13 178.58 0.3 . 1 . . . . . . . . 4798 1 220 . 1 1 88 88 VAL CA C 13 67.03 0.3 . 1 . . . . . . . . 4798 1 221 . 1 1 88 88 VAL CB C 13 31.58 0.3 . 1 . . . . . . . . 4798 1 222 . 1 1 88 88 VAL N N 15 119.34 0.3 . 1 . . . . . . . . 4798 1 223 . 1 1 89 89 LEU H H 1 7.81 0.04 . 1 . . . . . . . . 4798 1 224 . 1 1 89 89 LEU HA H 1 3.80 0.04 . 1 . . . . . . . . 4798 1 225 . 1 1 89 89 LEU HB2 H 1 1.31 0.04 . 2 . . . . . . . . 4798 1 226 . 1 1 89 89 LEU C C 13 178.9 0.3 . 1 . . . . . . . . 4798 1 227 . 1 1 89 89 LEU CA C 13 57.89 0.3 . 1 . . . . . . . . 4798 1 228 . 1 1 89 89 LEU CB C 13 41.49 0.3 . 1 . . . . . . . . 4798 1 229 . 1 1 89 89 LEU N N 15 120.13 0.3 . 1 . . . . . . . . 4798 1 230 . 1 1 90 90 SER H H 1 8.28 0.04 . 1 . . . . . . . . 4798 1 231 . 1 1 90 90 SER CA C 13 61.21 0.3 . 1 . . . . . . . . 4798 1 232 . 1 1 90 90 SER CB C 13 63.36 0.3 . 1 . . . . . . . . 4798 1 233 . 1 1 90 90 SER N N 15 113.89 0.3 . 1 . . . . . . . . 4798 1 234 . 1 1 95 95 GLY HA2 H 1 3.93 0.04 . 2 . . . . . . . . 4798 1 235 . 1 1 95 95 GLY HA3 H 1 4.27 0.04 . 2 . . . . . . . . 4798 1 236 . 1 1 95 95 GLY C C 13 174.20 0.3 . 1 . . . . . . . . 4798 1 237 . 1 1 95 95 GLY CA C 13 45.56 0.3 . 1 . . . . . . . . 4798 1 238 . 1 1 96 96 THR H H 1 8.53 0.04 . 1 . . . . . . . . 4798 1 239 . 1 1 96 96 THR HA H 1 4.16 0.04 . 1 . . . . . . . . 4798 1 240 . 1 1 96 96 THR HB H 1 4.29 0.04 . 1 . . . . . . . . 4798 1 241 . 1 1 96 96 THR C C 13 173.18 0.3 . 1 . . . . . . . . 4798 1 242 . 1 1 96 96 THR CA C 13 61.83 0.3 . 1 . . . . . . . . 4798 1 243 . 1 1 96 96 THR CB C 13 70.06 0.3 . 1 . . . . . . . . 4798 1 244 . 1 1 96 96 THR N N 15 111.77 0.3 . 1 . . . . . . . . 4798 1 245 . 1 1 97 97 LEU H H 1 7.63 0.04 . 1 . . . . . . . . 4798 1 246 . 1 1 97 97 LEU HA H 1 4.02 0.04 . 1 . . . . . . . . 4798 1 247 . 1 1 97 97 LEU HB2 H 1 1.73 0.04 . 2 . . . . . . . . 4798 1 248 . 1 1 97 97 LEU C C 13 178.48 0.3 . 1 . . . . . . . . 4798 1 249 . 1 1 97 97 LEU CA C 13 59.05 0.3 . 1 . . . . . . . . 4798 1 250 . 1 1 97 97 LEU CB C 13 41.39 0.3 . 1 . . . . . . . . 4798 1 251 . 1 1 97 97 LEU N N 15 126.82 0.3 . 1 . . . . . . . . 4798 1 252 . 1 1 98 98 GLU H H 1 8.39 0.04 . 1 . . . . . . . . 4798 1 253 . 1 1 98 98 GLU HA H 1 3.95 0.04 . 1 . . . . . . . . 4798 1 254 . 1 1 98 98 GLU HB2 H 1 1.99 0.04 . 2 . . . . . . . . 4798 1 255 . 1 1 98 98 GLU C C 13 179.49 0.3 . 1 . . . . . . . . 4798 1 256 . 1 1 98 98 GLU CA C 13 60.35 0.3 . 1 . . . . . . . . 4798 1 257 . 1 1 98 98 GLU CB C 13 29.14 0.3 . 1 . . . . . . . . 4798 1 258 . 1 1 98 98 GLU N N 15 116.36 0.3 . 1 . . . . . . . . 4798 1 259 . 1 1 99 99 GLU H H 1 7.65 0.04 . 1 . . . . . . . . 4798 1 260 . 1 1 99 99 GLU HA H 1 3.99 0.04 . 1 . . . . . . . . 4798 1 261 . 1 1 99 99 GLU CA C 13 59.34 0.3 . 1 . . . . . . . . 4798 1 262 . 1 1 99 99 GLU CB C 13 29.49 0.3 . 1 . . . . . . . . 4798 1 263 . 1 1 99 99 GLU N N 15 120.34 0.3 . 1 . . . . . . . . 4798 1 264 . 1 1 100 100 LYS HA H 1 3.96 0.04 . 1 . . . . . . . . 4798 1 265 . 1 1 100 100 LYS C C 13 178.77 0.3 . 1 . . . . . . . . 4798 1 266 . 1 1 100 100 LYS CA C 13 60.40 0.3 . 1 . . . . . . . . 4798 1 267 . 1 1 101 101 LEU H H 1 8.54 0.04 . 1 . . . . . . . . 4798 1 268 . 1 1 101 101 LEU HA H 1 4.24 0.04 . 1 . . . . . . . . 4798 1 269 . 1 1 101 101 LEU HB2 H 1 1.62 0.04 . 2 . . . . . . . . 4798 1 270 . 1 1 101 101 LEU HB3 H 1 2.04 0.04 . 2 . . . . . . . . 4798 1 271 . 1 1 101 101 LEU C C 13 178.69 0.3 . 1 . . . . . . . . 4798 1 272 . 1 1 101 101 LEU CA C 13 58.57 0.3 . 1 . . . . . . . . 4798 1 273 . 1 1 101 101 LEU CB C 13 42.47 0.3 . 1 . . . . . . . . 4798 1 274 . 1 1 101 101 LEU N N 15 119.07 0.3 . 1 . . . . . . . . 4798 1 275 . 1 1 102 102 SER H H 1 7.90 0.04 . 1 . . . . . . . . 4798 1 276 . 1 1 102 102 SER HA H 1 4.17 0.04 . 1 . . . . . . . . 4798 1 277 . 1 1 102 102 SER HB2 H 1 4.40 0.04 . 2 . . . . . . . . 4798 1 278 . 1 1 102 102 SER CA C 13 62.60 0.3 . 1 . . . . . . . . 4798 1 279 . 1 1 102 102 SER CB C 13 63.68 0.3 . 1 . . . . . . . . 4798 1 280 . 1 1 102 102 SER N N 15 114.49 0.3 . 1 . . . . . . . . 4798 1 281 . 1 1 104 104 ALA HA H 1 3.80 0.04 . 1 . . . . . . . . 4798 1 282 . 1 1 104 104 ALA HB1 H 1 1.79 0.04 . 1 . . . . . . . . 4798 1 283 . 1 1 104 104 ALA HB2 H 1 1.79 0.04 . 1 . . . . . . . . 4798 1 284 . 1 1 104 104 ALA HB3 H 1 1.79 0.04 . 1 . . . . . . . . 4798 1 285 . 1 1 104 104 ALA C C 13 177.94 0.3 . 1 . . . . . . . . 4798 1 286 . 1 1 104 104 ALA CA C 13 54.98 0.3 . 1 . . . . . . . . 4798 1 287 . 1 1 104 104 ALA CB C 13 18.60 0.3 . 1 . . . . . . . . 4798 1 288 . 1 1 105 105 PHE H H 1 8.22 0.04 . 1 . . . . . . . . 4798 1 289 . 1 1 105 105 PHE HA H 1 3.04 0.04 . 1 . . . . . . . . 4798 1 290 . 1 1 105 105 PHE C C 13 176.41 0.3 . 1 . . . . . . . . 4798 1 291 . 1 1 105 105 PHE CA C 13 62.29 0.3 . 1 . . . . . . . . 4798 1 292 . 1 1 105 105 PHE CB C 13 39.62 0.3 . 1 . . . . . . . . 4798 1 293 . 1 1 105 105 PHE N N 15 118.18 0.3 . 1 . . . . . . . . 4798 1 294 . 1 1 106 106 GLU H H 1 7.58 0.04 . 1 . . . . . . . . 4798 1 295 . 1 1 106 106 GLU HA H 1 3.94 0.04 . 1 . . . . . . . . 4798 1 296 . 1 1 106 106 GLU HB2 H 1 2.00 0.04 . 2 . . . . . . . . 4798 1 297 . 1 1 106 106 GLU C C 13 177.99 0.3 . 1 . . . . . . . . 4798 1 298 . 1 1 106 106 GLU CA C 13 58.56 0.3 . 1 . . . . . . . . 4798 1 299 . 1 1 106 106 GLU CB C 13 29.65 0.3 . 1 . . . . . . . . 4798 1 300 . 1 1 106 106 GLU N N 15 114.44 0.3 . 1 . . . . . . . . 4798 1 301 . 1 1 107 107 LEU H H 1 7.31 0.04 . 1 . . . . . . . . 4798 1 302 . 1 1 107 107 LEU HA H 1 3.69 0.04 . 1 . . . . . . . . 4798 1 303 . 1 1 107 107 LEU HB2 H 1 1.50 0.04 . 2 . . . . . . . . 4798 1 304 . 1 1 107 107 LEU C C 13 177.23 0.3 . 1 . . . . . . . . 4798 1 305 . 1 1 107 107 LEU CA C 13 57.36 0.3 . 1 . . . . . . . . 4798 1 306 . 1 1 107 107 LEU CB C 13 41.13 0.3 . 1 . . . . . . . . 4798 1 307 . 1 1 107 107 LEU N N 15 118.98 0.3 . 1 . . . . . . . . 4798 1 308 . 1 1 108 108 TYR H H 1 7.01 0.04 . 1 . . . . . . . . 4798 1 309 . 1 1 108 108 TYR HA H 1 4.17 0.04 . 1 . . . . . . . . 4798 1 310 . 1 1 108 108 TYR HB2 H 1 2.41 0.04 . 2 . . . . . . . . 4798 1 311 . 1 1 108 108 TYR HB3 H 1 2.70 0.04 . 2 . . . . . . . . 4798 1 312 . 1 1 108 108 TYR C C 13 175.29 0.3 . 1 . . . . . . . . 4798 1 313 . 1 1 108 108 TYR CA C 13 59.78 0.3 . 1 . . . . . . . . 4798 1 314 . 1 1 108 108 TYR CB C 13 40.12 0.32 . 1 . . . . . . . . 4798 1 315 . 1 1 108 108 TYR N N 15 113.42 0.3 . 1 . . . . . . . . 4798 1 316 . 1 1 109 109 ASP H H 1 7.23 0.04 . 1 . . . . . . . . 4798 1 317 . 1 1 109 109 ASP HA H 1 4.41 0.04 . 1 . . . . . . . . 4798 1 318 . 1 1 109 109 ASP HB2 H 1 1.63 0.04 . 2 . . . . . . . . 4798 1 319 . 1 1 109 109 ASP C C 13 177.45 0.3 . 1 . . . . . . . . 4798 1 320 . 1 1 109 109 ASP CA C 13 51.94 0.3 . 1 . . . . . . . . 4798 1 321 . 1 1 109 109 ASP CB C 13 38.37 0.3 . 1 . . . . . . . . 4798 1 322 . 1 1 109 109 ASP N N 15 114.63 0.3 . 1 . . . . . . . . 4798 1 323 . 1 1 110 110 LEU H H 1 7.30 0.04 . 1 . . . . . . . . 4798 1 324 . 1 1 110 110 LEU HA H 1 4.40 0.04 . 1 . . . . . . . . 4798 1 325 . 1 1 110 110 LEU HB2 H 1 1.66 0.04 . 2 . . . . . . . . 4798 1 326 . 1 1 110 110 LEU HB3 H 1 1.39 0.04 . 2 . . . . . . . . 4798 1 327 . 1 1 110 110 LEU C C 13 177.66 0.3 . 1 . . . . . . . . 4798 1 328 . 1 1 110 110 LEU CA C 13 57.91 0.3 . 1 . . . . . . . . 4798 1 329 . 1 1 110 110 LEU CB C 13 42.50 0.3 . 1 . . . . . . . . 4798 1 330 . 1 1 110 110 LEU N N 15 123.22 0.3 . 1 . . . . . . . . 4798 1 331 . 1 1 111 111 ASN H H 1 7.79 0.04 . 1 . . . . . . . . 4798 1 332 . 1 1 111 111 ASN HA H 1 4.64 0.04 . 1 . . . . . . . . 4798 1 333 . 1 1 111 111 ASN HB2 H 1 2.76 0.04 . 2 . . . . . . . . 4798 1 334 . 1 1 111 111 ASN HB3 H 1 3.30 0.04 . 2 . . . . . . . . 4798 1 335 . 1 1 111 111 ASN C C 13 175.49 0.3 . 1 . . . . . . . . 4798 1 336 . 1 1 111 111 ASN CA C 13 51.22 0.3 . 1 . . . . . . . . 4798 1 337 . 1 1 111 111 ASN CB C 13 37.51 0.3 . 1 . . . . . . . . 4798 1 338 . 1 1 111 111 ASN N N 15 111.47 0.3 . 1 . . . . . . . . 4798 1 339 . 1 1 112 112 HIS H H 1 7.81 0.041 . 1 . . . . . . . . 4798 1 340 . 1 1 112 112 HIS HA H 1 4.27 0.04 . 1 . . . . . . . . 4798 1 341 . 1 1 112 112 HIS HB2 H 1 3.31 0.04 . 2 . . . . . . . . 4798 1 342 . 1 1 112 112 HIS HB3 H 1 3.37 0.04 . 2 . . . . . . . . 4798 1 343 . 1 1 112 112 HIS C C 13 174.26 0.3 . 1 . . . . . . . . 4798 1 344 . 1 1 112 112 HIS CA C 13 56.72 0.3 . 1 . . . . . . . . 4798 1 345 . 1 1 112 112 HIS CB C 13 26.66 0.3 . 1 . . . . . . . . 4798 1 346 . 1 1 112 112 HIS N N 15 116.12 0.3 . 1 . . . . . . . . 4798 1 347 . 1 1 113 113 ASP H H 1 8.30 0.04 . 1 . . . . . . . . 4798 1 348 . 1 1 113 113 ASP HA H 1 4.65 0.04 . 1 . . . . . . . . 4798 1 349 . 1 1 113 113 ASP HB2 H 1 2.41 0.04 . 2 . . . . . . . . 4798 1 350 . 1 1 113 113 ASP HB3 H 1 3.12 0.04 . 2 . . . . . . . . 4798 1 351 . 1 1 113 113 ASP C C 13 177.23 0.3 . 1 . . . . . . . . 4798 1 352 . 1 1 113 113 ASP CA C 13 52.97 0.3 . 1 . . . . . . . . 4798 1 353 . 1 1 113 113 ASP CB C 13 41.18 0.3 . 1 . . . . . . . . 4798 1 354 . 1 1 113 113 ASP N N 15 118.49 0.3 . 1 . . . . . . . . 4798 1 355 . 1 1 114 114 GLY H H 1 10.53 0.04 . 1 . . . . . . . . 4798 1 356 . 1 1 114 114 GLY HA2 H 1 4.08 0.04 . 2 . . . . . . . . 4798 1 357 . 1 1 114 114 GLY HA3 H 1 3.47 0.04 . 2 . . . . . . . . 4798 1 358 . 1 1 114 114 GLY C C 13 172.56 0.3 . 1 . . . . . . . . 4798 1 359 . 1 1 114 114 GLY CA C 13 45.12 0.3 . 1 . . . . . . . . 4798 1 360 . 1 1 114 114 GLY N N 15 112.67 0.3 . 1 . . . . . . . . 4798 1 361 . 1 1 115 115 TYR H H 1 8.07 0.04 . 1 . . . . . . . . 4798 1 362 . 1 1 115 115 TYR HA H 1 5.25 0.04 . 1 . . . . . . . . 4798 1 363 . 1 1 115 115 TYR HB2 H 1 2.63 0.04 . 2 . . . . . . . . 4798 1 364 . 1 1 115 115 TYR C C 13 175.49 0.3 . 1 . . . . . . . . 4798 1 365 . 1 1 115 115 TYR CA C 13 55.31 0.3 . 1 . . . . . . . . 4798 1 366 . 1 1 115 115 TYR CB C 13 41.97 0.3 . 1 . . . . . . . . 4798 1 367 . 1 1 115 115 TYR N N 15 117.59 0.3 . 1 . . . . . . . . 4798 1 368 . 1 1 116 116 ILE H H 1 9.64 0.04 . 1 . . . . . . . . 4798 1 369 . 1 1 116 116 ILE HA H 1 4.96 0.04 . 1 . . . . . . . . 4798 1 370 . 1 1 116 116 ILE HB H 1 1.69 0.04 . 1 . . . . . . . . 4798 1 371 . 1 1 116 116 ILE C C 13 177.37 0.3 . 1 . . . . . . . . 4798 1 372 . 1 1 116 116 ILE CA C 13 61.50 0.3 . 1 . . . . . . . . 4798 1 373 . 1 1 116 116 ILE CB C 13 40.06 0.3 . 1 . . . . . . . . 4798 1 374 . 1 1 116 116 ILE N N 15 126.17 0.3 . 1 . . . . . . . . 4798 1 375 . 1 1 117 117 THR H H 1 8.87 0.04 . 1 . . . . . . . . 4798 1 376 . 1 1 117 117 THR HA H 1 5.22 0.04 . 1 . . . . . . . . 4798 1 377 . 1 1 117 117 THR HB H 1 4.82 0.04 . 1 . . . . . . . . 4798 1 378 . 1 1 117 117 THR C C 13 175.98 0.3 . 1 . . . . . . . . 4798 1 379 . 1 1 117 117 THR CA C 13 60.28 0.3 . 1 . . . . . . . . 4798 1 380 . 1 1 117 117 THR CB C 13 71.47 0.3 . 1 . . . . . . . . 4798 1 381 . 1 1 117 117 THR N N 15 117.83 0.3 . 1 . . . . . . . . 4798 1 382 . 1 1 118 118 PHE H H 1 9.17 0.04 . 1 . . . . . . . . 4798 1 383 . 1 1 118 118 PHE HA H 1 3.49 0.04 . 1 . . . . . . . . 4798 1 384 . 1 1 118 118 PHE HB2 H 1 2.28 0.04 . 2 . . . . . . . . 4798 1 385 . 1 1 118 118 PHE HB3 H 1 2.78 0.04 . 2 . . . . . . . . 4798 1 386 . 1 1 118 118 PHE C C 13 176.58 0.3 . 1 . . . . . . . . 4798 1 387 . 1 1 118 118 PHE CA C 13 62.30 0.3 . 1 . . . . . . . . 4798 1 388 . 1 1 118 118 PHE CB C 13 39.29 0.3 . 1 . . . . . . . . 4798 1 389 . 1 1 118 118 PHE N N 15 123.85 0.3 . 1 . . . . . . . . 4798 1 390 . 1 1 119 119 ASP H H 1 8.43 0.04 . 1 . . . . . . . . 4798 1 391 . 1 1 119 119 ASP HA H 1 4.27 0.04 . 1 . . . . . . . . 4798 1 392 . 1 1 119 119 ASP HB2 H 1 2.61 0.04 . 2 . . . . . . . . 4798 1 393 . 1 1 119 119 ASP C C 13 179.42 0.3 . 1 . . . . . . . . 4798 1 394 . 1 1 119 119 ASP CA C 13 57.27 0.3 . 1 . . . . . . . . 4798 1 395 . 1 1 119 119 ASP CB C 13 40.72 0.3 . 1 . . . . . . . . 4798 1 396 . 1 1 119 119 ASP N N 15 114.89 0.3 . 1 . . . . . . . . 4798 1 397 . 1 1 120 120 GLU H H 1 7.62 0.04 . 1 . . . . . . . . 4798 1 398 . 1 1 120 120 GLU HA H 1 3.96 0.04 . 1 . . . . . . . . 4798 1 399 . 1 1 120 120 GLU C C 13 177.46 0.3 . 1 . . . . . . . . 4798 1 400 . 1 1 120 120 GLU CA C 13 59.91 0.3 . 1 . . . . . . . . 4798 1 401 . 1 1 120 120 GLU CB C 13 29.22 0.3 . 1 . . . . . . . . 4798 1 402 . 1 1 120 120 GLU N N 15 121.90 0.3 . 1 . . . . . . . . 4798 1 403 . 1 1 121 121 MET H H 1 7.94 0.04 . 1 . . . . . . . . 4798 1 404 . 1 1 121 121 MET HA H 1 4.15 0.04 . 1 . . . . . . . . 4798 1 405 . 1 1 121 121 MET C C 13 178.35 0.3 . 1 . . . . . . . . 4798 1 406 . 1 1 121 121 MET CA C 13 59.63 0.3 . 1 . . . . . . . . 4798 1 407 . 1 1 121 121 MET CB C 13 32.85 0.3 . 1 . . . . . . . . 4798 1 408 . 1 1 121 121 MET N N 15 116.72 0.3 . 1 . . . . . . . . 4798 1 409 . 1 1 122 122 LEU H H 1 8.89 0.04 . 1 . . . . . . . . 4798 1 410 . 1 1 122 122 LEU HA H 1 3.81 0.04 . 1 . . . . . . . . 4798 1 411 . 1 1 122 122 LEU HB2 H 1 1.79 0.04 . 2 . . . . . . . . 4798 1 412 . 1 1 122 122 LEU HB3 H 1 1.06 0.04 . 2 . . . . . . . . 4798 1 413 . 1 1 122 122 LEU C C 13 177.47 0.3 . 1 . . . . . . . . 4798 1 414 . 1 1 122 122 LEU CA C 13 58.13 0.3 . 1 . . . . . . . . 4798 1 415 . 1 1 122 122 LEU CB C 13 41.49 0.3 . 1 . . . . . . . . 4798 1 416 . 1 1 122 122 LEU N N 15 118.86 0.3 . 1 . . . . . . . . 4798 1 417 . 1 1 123 123 THR H H 1 7.81 0.04 . 1 . . . . . . . . 4798 1 418 . 1 1 123 123 THR HA H 1 3.83 0.04 . 1 . . . . . . . . 4798 1 419 . 1 1 123 123 THR HB H 1 4.43 0.04 . 1 . . . . . . . . 4798 1 420 . 1 1 123 123 THR C C 13 176.81 0.3 . 1 . . . . . . . . 4798 1 421 . 1 1 123 123 THR CA C 13 67.80 0.3 . 1 . . . . . . . . 4798 1 422 . 1 1 123 123 THR CB C 13 68.85 0.3 . 1 . . . . . . . . 4798 1 423 . 1 1 123 123 THR N N 15 115.48 0.3 . 1 . . . . . . . . 4798 1 424 . 1 1 124 124 ILE H H 1 7.37 0.04 . 1 . . . . . . . . 4798 1 425 . 1 1 124 124 ILE HA H 1 3.86 0.04 . 1 . . . . . . . . 4798 1 426 . 1 1 124 124 ILE HB H 1 2.30 0.04 . 1 . . . . . . . . 4798 1 427 . 1 1 124 124 ILE C C 13 178.01 0.3 . 1 . . . . . . . . 4798 1 428 . 1 1 124 124 ILE CA C 13 63.47 0.3 . 1 . . . . . . . . 4798 1 429 . 1 1 124 124 ILE CB C 13 36.23 0.3 . 1 . . . . . . . . 4798 1 430 . 1 1 124 124 ILE N N 15 120.39 0.3 . 1 . . . . . . . . 4798 1 431 . 1 1 125 125 VAL H H 1 8.84 0.04 . 1 . . . . . . . . 4798 1 432 . 1 1 125 125 VAL HA H 1 3.58 0.04 . 1 . . . . . . . . 4798 1 433 . 1 1 125 125 VAL HB H 1 1.86 0.04 . 1 . . . . . . . . 4798 1 434 . 1 1 125 125 VAL C C 13 178.06 0.3 . 1 . . . . . . . . 4798 1 435 . 1 1 125 125 VAL CA C 13 67.87 0.3 . 1 . . . . . . . . 4798 1 436 . 1 1 125 125 VAL CB C 13 31.65 0.3 . 1 . . . . . . . . 4798 1 437 . 1 1 125 125 VAL N N 15 120.53 0.3 . 1 . . . . . . . . 4798 1 438 . 1 1 126 126 ALA H H 1 9.42 0.04 . 1 . . . . . . . . 4798 1 439 . 1 1 126 126 ALA HA H 1 3.95 0.04 . 1 . . . . . . . . 4798 1 440 . 1 1 126 126 ALA HB1 H 1 1.49 0.04 . 1 . . . . . . . . 4798 1 441 . 1 1 126 126 ALA HB2 H 1 1.49 0.04 . 1 . . . . . . . . 4798 1 442 . 1 1 126 126 ALA HB3 H 1 1.49 0.04 . 1 . . . . . . . . 4798 1 443 . 1 1 126 126 ALA C C 13 180.52 0.3 . 1 . . . . . . . . 4798 1 444 . 1 1 126 126 ALA CA C 13 55.92 0.3 . 1 . . . . . . . . 4798 1 445 . 1 1 126 126 ALA CB C 13 17.88 0.3 . 1 . . . . . . . . 4798 1 446 . 1 1 126 126 ALA N N 15 120.70 0.3 . 1 . . . . . . . . 4798 1 447 . 1 1 127 127 SER H H 1 7.52 0.04 . 1 . . . . . . . . 4798 1 448 . 1 1 127 127 SER HB2 H 1 4.43 0.04 . 2 . . . . . . . . 4798 1 449 . 1 1 127 127 SER C C 13 175.57 0.3 . 1 . . . . . . . . 4798 1 450 . 1 1 127 127 SER CB C 13 63.06 0.3 . 1 . . . . . . . . 4798 1 451 . 1 1 127 127 SER N N 15 114.69 0.3 . 1 . . . . . . . . 4798 1 452 . 1 1 128 128 VAL H H 1 8.25 0.04 . 1 . . . . . . . . 4798 1 453 . 1 1 128 128 VAL HA H 1 3.68 0.04 . 1 . . . . . . . . 4798 1 454 . 1 1 128 128 VAL HB H 1 2.36 0.04 . 1 . . . . . . . . 4798 1 455 . 1 1 128 128 VAL C C 13 178.03 0.3 . 1 . . . . . . . . 4798 1 456 . 1 1 128 128 VAL CA C 13 66.79 0.3 . 1 . . . . . . . . 4798 1 457 . 1 1 128 128 VAL CB C 13 31.60 0.3 . 1 . . . . . . . . 4798 1 458 . 1 1 128 128 VAL N N 15 117.91 0.3 . 1 . . . . . . . . 4798 1 459 . 1 1 129 129 TYR H H 1 8.78 0.04 . 1 . . . . . . . . 4798 1 460 . 1 1 129 129 TYR HA H 1 4.17 0.04 . 1 . . . . . . . . 4798 1 461 . 1 1 129 129 TYR HB2 H 1 3.05 0.04 . 2 . . . . . . . . 4798 1 462 . 1 1 129 129 TYR C C 13 176.14 0.3 . 1 . . . . . . . . 4798 1 463 . 1 1 129 129 TYR CA C 13 62.11 0.3 . 1 . . . . . . . . 4798 1 464 . 1 1 129 129 TYR CB C 13 37.71 0.3 . 1 . . . . . . . . 4798 1 465 . 1 1 129 129 TYR N N 15 121.50 0.3 . 1 . . . . . . . . 4798 1 466 . 1 1 130 130 LYS H H 1 7.90 0.04 . 1 . . . . . . . . 4798 1 467 . 1 1 130 130 LYS HA H 1 3.94 0.04 . 1 . . . . . . . . 4798 1 468 . 1 1 130 130 LYS HB2 H 1 2.06 0.04 . 2 . . . . . . . . 4798 1 469 . 1 1 130 130 LYS C C 13 178.78 0.3 . 1 . . . . . . . . 4798 1 470 . 1 1 130 130 LYS CA C 13 59.17 0.3 . 1 . . . . . . . . 4798 1 471 . 1 1 130 130 LYS CB C 13 32.77 0.3 . 1 . . . . . . . . 4798 1 472 . 1 1 130 130 LYS N N 15 118.43 0.3 . 1 . . . . . . . . 4798 1 473 . 1 1 131 131 MET H H 1 7.80 0.04 . 1 . . . . . . . . 4798 1 474 . 1 1 131 131 MET HA H 1 4.26 0.04 . 1 . . . . . . . . 4798 1 475 . 1 1 131 131 MET HB2 H 1 2.01 0.04 . 2 . . . . . . . . 4798 1 476 . 1 1 131 131 MET CA C 13 56.71 0.3 . 1 . . . . . . . . 4798 1 477 . 1 1 131 131 MET CB C 13 32.43 0.3 . 1 . . . . . . . . 4798 1 478 . 1 1 131 131 MET N N 15 118.60 0.3 . 1 . . . . . . . . 4798 1 479 . 1 1 132 132 MET HA H 1 4.36 0.04 . 1 . . . . . . . . 4798 1 480 . 1 1 132 132 MET HB2 H 1 2.03 0.04 . 2 . . . . . . . . 4798 1 481 . 1 1 132 132 MET C C 13 177.49 0.3 . 1 . . . . . . . . 4798 1 482 . 1 1 132 132 MET CA C 13 56.81 0.3 . 1 . . . . . . . . 4798 1 483 . 1 1 132 132 MET CB C 13 33.23 0.3 . 1 . . . . . . . . 4798 1 484 . 1 1 133 133 GLY H H 1 7.83 0.04 . 1 . . . . . . . . 4798 1 485 . 1 1 133 133 GLY HA2 H 1 4.06 0.04 . 2 . . . . . . . . 4798 1 486 . 1 1 133 133 GLY HA3 H 1 3.93 0.04 . 2 . . . . . . . . 4798 1 487 . 1 1 133 133 GLY CA C 13 46.58 0.3 . 1 . . . . . . . . 4798 1 488 . 1 1 133 133 GLY N N 15 106.63 0.3 . 1 . . . . . . . . 4798 1 489 . 1 1 134 134 SER HA H 1 3.96 0.04 . 1 . . . . . . . . 4798 1 490 . 1 1 134 134 SER HB2 H 1 4.46 0.04 . 2 . . . . . . . . 4798 1 491 . 1 1 134 134 SER C C 13 175.03 0.3 . 1 . . . . . . . . 4798 1 492 . 1 1 134 134 SER CA C 13 59.22 0.3 . 1 . . . . . . . . 4798 1 493 . 1 1 134 134 SER CB C 13 63.53 0.3 . 1 . . . . . . . . 4798 1 494 . 1 1 135 135 MET H H 1 8.15 0.04 . 1 . . . . . . . . 4798 1 495 . 1 1 135 135 MET HA H 1 4.45 0.04 . 1 . . . . . . . . 4798 1 496 . 1 1 135 135 MET HB2 H 1 2.11 0.04 . 2 . . . . . . . . 4798 1 497 . 1 1 135 135 MET C C 13 175.84 0.3 . 1 . . . . . . . . 4798 1 498 . 1 1 135 135 MET CA C 13 56.60 0.3 . 1 . . . . . . . . 4798 1 499 . 1 1 135 135 MET CB C 13 33.40 0.3 . 1 . . . . . . . . 4798 1 500 . 1 1 135 135 MET N N 15 120.15 0.3 . 1 . . . . . . . . 4798 1 501 . 1 1 136 136 VAL H H 1 7.44 0.04 . 1 . . . . . . . . 4798 1 502 . 1 1 136 136 VAL HA H 1 4.29 0.04 . 1 . . . . . . . . 4798 1 503 . 1 1 136 136 VAL HB H 1 2.00 0.04 . 1 . . . . . . . . 4798 1 504 . 1 1 136 136 VAL C C 13 175.13 0.3 . 1 . . . . . . . . 4798 1 505 . 1 1 136 136 VAL CA C 13 61.25 0.3 . 1 . . . . . . . . 4798 1 506 . 1 1 136 136 VAL CB C 13 33.64 0.3 . 1 . . . . . . . . 4798 1 507 . 1 1 136 136 VAL N N 15 115.77 0.3 . 1 . . . . . . . . 4798 1 508 . 1 1 137 137 THR H H 1 8.04 0.04 . 1 . . . . . . . . 4798 1 509 . 1 1 137 137 THR HA H 1 4.13 0.04 . 1 . . . . . . . . 4798 1 510 . 1 1 137 137 THR HB H 1 4.31 0.04 . 1 . . . . . . . . 4798 1 511 . 1 1 137 137 THR C C 13 174.00 0.3 . 1 . . . . . . . . 4798 1 512 . 1 1 137 137 THR CA C 13 62.02 0.3 . 1 . . . . . . . . 4798 1 513 . 1 1 137 137 THR CB C 13 69.57 0.3 . 1 . . . . . . . . 4798 1 514 . 1 1 137 137 THR N N 15 118.04 0.3 . 1 . . . . . . . . 4798 1 515 . 1 1 138 138 LEU H H 1 8.17 0.04 . 1 . . . . . . . . 4798 1 516 . 1 1 138 138 LEU HA H 1 4.42 0.04 . 1 . . . . . . . . 4798 1 517 . 1 1 138 138 LEU HB2 H 1 1.54 0.04 . 2 . . . . . . . . 4798 1 518 . 1 1 138 138 LEU HB3 H 1 1.62 0.04 . 2 . . . . . . . . 4798 1 519 . 1 1 138 138 LEU C C 13 177.00 0.3 . 1 . . . . . . . . 4798 1 520 . 1 1 138 138 LEU CA C 13 54.40 0.3 . 1 . . . . . . . . 4798 1 521 . 1 1 138 138 LEU CB C 13 43.09 0.3 . 1 . . . . . . . . 4798 1 522 . 1 1 138 138 LEU N N 15 126.01 0.3 . 1 . . . . . . . . 4798 1 523 . 1 1 139 139 ASN H H 1 8.55 0.04 . 1 . . . . . . . . 4798 1 524 . 1 1 139 139 ASN HA H 1 4.69 0.04 . 1 . . . . . . . . 4798 1 525 . 1 1 139 139 ASN HB2 H 1 2.70 0.04 . 2 . . . . . . . . 4798 1 526 . 1 1 139 139 ASN HB3 H 1 2.87 0.04 . 2 . . . . . . . . 4798 1 527 . 1 1 139 139 ASN C C 13 176.47 0.3 . 1 . . . . . . . . 4798 1 528 . 1 1 139 139 ASN CA C 13 53.09 0.3 . 1 . . . . . . . . 4798 1 529 . 1 1 139 139 ASN CB C 13 39.12 0.3 . 1 . . . . . . . . 4798 1 530 . 1 1 139 139 ASN N N 15 120.13 0.3 . 1 . . . . . . . . 4798 1 531 . 1 1 140 140 GLU H H 1 8.68 0.04 . 1 . . . . . . . . 4798 1 532 . 1 1 140 140 GLU HA H 1 4.10 0.04 . 1 . . . . . . . . 4798 1 533 . 1 1 140 140 GLU HB2 H 1 2.06 0.04 . 2 . . . . . . . . 4798 1 534 . 1 1 140 140 GLU C C 13 176.93 0.3 . 1 . . . . . . . . 4798 1 535 . 1 1 140 140 GLU CA C 13 59.11 0.3 . 1 . . . . . . . . 4798 1 536 . 1 1 140 140 GLU CB C 13 29.79 0.3 . 1 . . . . . . . . 4798 1 537 . 1 1 140 140 GLU N N 15 121.83 0.3 . 1 . . . . . . . . 4798 1 538 . 1 1 141 141 ASP H H 1 8.23 0.04 . 1 . . . . . . . . 4798 1 539 . 1 1 141 141 ASP HA H 1 4.58 0.04 . 1 . . . . . . . . 4798 1 540 . 1 1 141 141 ASP HB2 H 1 2.69 0.04 . 2 . . . . . . . . 4798 1 541 . 1 1 141 141 ASP HB3 H 1 2.85 0.04 . 2 . . . . . . . . 4798 1 542 . 1 1 141 141 ASP C C 13 175.77 0.3 . 1 . . . . . . . . 4798 1 543 . 1 1 141 141 ASP CA C 13 54.51 0.3 . 1 . . . . . . . . 4798 1 544 . 1 1 141 141 ASP CB C 13 40.14 0.3 . 1 . . . . . . . . 4798 1 545 . 1 1 141 141 ASP N N 15 116.99 0.3 . 1 . . . . . . . . 4798 1 546 . 1 1 142 142 GLU H H 1 7.84 0.04 . 1 . . . . . . . . 4798 1 547 . 1 1 142 142 GLU HA H 1 4.36 0.04 . 1 . . . . . . . . 4798 1 548 . 1 1 142 142 GLU HB2 H 1 1.93 0.04 . 2 . . . . . . . . 4798 1 549 . 1 1 142 142 GLU C C 13 176.37 0.3 . 1 . . . . . . . . 4798 1 550 . 1 1 142 142 GLU CA C 13 54.99 0.3 . 1 . . . . . . . . 4798 1 551 . 1 1 142 142 GLU CB C 13 30.35 0.3 . 1 . . . . . . . . 4798 1 552 . 1 1 142 142 GLU N N 15 117.56 0.3 . 1 . . . . . . . . 4798 1 553 . 1 1 143 143 ALA H H 1 7.56 0.04 . 1 . . . . . . . . 4798 1 554 . 1 1 143 143 ALA HA H 1 4.23 0.04 . 1 . . . . . . . . 4798 1 555 . 1 1 143 143 ALA HB1 H 1 1.54 0.04 . 1 . . . . . . . . 4798 1 556 . 1 1 143 143 ALA HB2 H 1 1.54 0.04 . 1 . . . . . . . . 4798 1 557 . 1 1 143 143 ALA HB3 H 1 1.54 0.04 . 1 . . . . . . . . 4798 1 558 . 1 1 143 143 ALA C C 13 177.08 0.3 . 1 . . . . . . . . 4798 1 559 . 1 1 143 143 ALA CA C 13 54.77 0.3 . 1 . . . . . . . . 4798 1 560 . 1 1 143 143 ALA CB C 13 19.77 0.3 . 1 . . . . . . . . 4798 1 561 . 1 1 143 143 ALA N N 15 123.12 0.3 . 1 . . . . . . . . 4798 1 562 . 1 1 144 144 THR H H 1 7.33 0.04 . 1 . . . . . . . . 4798 1 563 . 1 1 144 144 THR HA H 1 4.82 0.04 . 1 . . . . . . . . 4798 1 564 . 1 1 144 144 THR N N 15 106.54 0.3 . 1 . . . . . . . . 4798 1 565 . 1 1 145 145 PRO HA H 1 3.51 0.04 . 1 . . . . . . . . 4798 1 566 . 1 1 145 145 PRO HB2 H 1 1.77 0.04 . 2 . . . . . . . . 4798 1 567 . 1 1 145 145 PRO HB3 H 1 1.57 0.04 . 2 . . . . . . . . 4798 1 568 . 1 1 145 145 PRO C C 13 177.25 0.3 . 1 . . . . . . . . 4798 1 569 . 1 1 145 145 PRO CA C 13 65.30 0.3 . 1 . . . . . . . . 4798 1 570 . 1 1 145 145 PRO CB C 13 31.38 0.3 . 1 . . . . . . . . 4798 1 571 . 1 1 146 146 GLU H H 1 8.89 0.04 . 1 . . . . . . . . 4798 1 572 . 1 1 146 146 GLU HA H 1 3.77 0.04 . 1 . . . . . . . . 4798 1 573 . 1 1 146 146 GLU HB2 H 1 2.12 0.04 . 2 . . . . . . . . 4798 1 574 . 1 1 146 146 GLU HB3 H 1 2.00 0.04 . 2 . . . . . . . . 4798 1 575 . 1 1 146 146 GLU C C 13 178.36 0.3 . 1 . . . . . . . . 4798 1 576 . 1 1 146 146 GLU CA C 13 61.13 0.3 . 1 . . . . . . . . 4798 1 577 . 1 1 146 146 GLU CB C 13 29.12 0.3 . 1 . . . . . . . . 4798 1 578 . 1 1 146 146 GLU N N 15 116.89 0.3 . 1 . . . . . . . . 4798 1 579 . 1 1 147 147 MET H H 1 7.59 0.04 . 1 . . . . . . . . 4798 1 580 . 1 1 147 147 MET HA H 1 4.11 0.04 . 1 . . . . . . . . 4798 1 581 . 1 1 147 147 MET HB2 H 1 2.27 0.04 . 2 . . . . . . . . 4798 1 582 . 1 1 147 147 MET C C 13 179.13 0.3 . 1 . . . . . . . . 4798 1 583 . 1 1 147 147 MET CA C 13 59.08 0.3 . 1 . . . . . . . . 4798 1 584 . 1 1 147 147 MET CB C 13 33.16 0.3 . 1 . . . . . . . . 4798 1 585 . 1 1 147 147 MET N N 15 118.15 0.3 . 1 . . . . . . . . 4798 1 586 . 1 1 148 148 ARG H H 1 7.89 0.04 . 1 . . . . . . . . 4798 1 587 . 1 1 148 148 ARG HA H 1 4.06 0.04 . 1 . . . . . . . . 4798 1 588 . 1 1 148 148 ARG HB2 H 1 2.05 0.04 . 2 . . . . . . . . 4798 1 589 . 1 1 148 148 ARG C C 13 177.99 0.3 . 1 . . . . . . . . 4798 1 590 . 1 1 148 148 ARG CA C 13 58.95 0.3 . 1 . . . . . . . . 4798 1 591 . 1 1 148 148 ARG CB C 13 29.72 0.3 . 1 . . . . . . . . 4798 1 592 . 1 1 148 148 ARG N N 15 119.85 0.3 . 1 . . . . . . . . 4798 1 593 . 1 1 149 149 VAL H H 1 8.42 0.04 . 1 . . . . . . . . 4798 1 594 . 1 1 149 149 VAL HA H 1 3.59 0.04 . 1 . . . . . . . . 4798 1 595 . 1 1 149 149 VAL HB H 1 1.78 0.04 . 1 . . . . . . . . 4798 1 596 . 1 1 149 149 VAL C C 13 177.78 0.3 . 1 . . . . . . . . 4798 1 597 . 1 1 149 149 VAL CA C 13 67.31 0.3 . 1 . . . . . . . . 4798 1 598 . 1 1 149 149 VAL CB C 13 30.95 0.3 . 1 . . . . . . . . 4798 1 599 . 1 1 149 149 VAL N N 15 118.54 0.3 . 1 . . . . . . . . 4798 1 600 . 1 1 150 150 LYS H H 1 8.46 0.04 . 1 . . . . . . . . 4798 1 601 . 1 1 150 150 LYS HA H 1 4.01 0.04 . 1 . . . . . . . . 4798 1 602 . 1 1 150 150 LYS HB2 H 1 2.01 0.04 . 2 . . . . . . . . 4798 1 603 . 1 1 150 150 LYS HB3 H 1 2.05 0.04 . 2 . . . . . . . . 4798 1 604 . 1 1 150 150 LYS C C 13 179.17 0.3 . 1 . . . . . . . . 4798 1 605 . 1 1 150 150 LYS CA C 13 61.01 0.3 . 1 . . . . . . . . 4798 1 606 . 1 1 150 150 LYS CB C 13 32.70 0.3 . 1 . . . . . . . . 4798 1 607 . 1 1 150 150 LYS N N 15 120.45 0.3 . 1 . . . . . . . . 4798 1 608 . 1 1 151 151 LYS H H 1 7.71 0.04 . 1 . . . . . . . . 4798 1 609 . 1 1 151 151 LYS HA H 1 4.08 0.04 . 1 . . . . . . . . 4798 1 610 . 1 1 151 151 LYS HB2 H 1 2.08 0.04 . 2 . . . . . . . . 4798 1 611 . 1 1 151 151 LYS C C 13 178.82 0.3 . 1 . . . . . . . . 4798 1 612 . 1 1 151 151 LYS CA C 13 59.83 0.3 . 1 . . . . . . . . 4798 1 613 . 1 1 151 151 LYS CB C 13 32.65 0.3 . 1 . . . . . . . . 4798 1 614 . 1 1 151 151 LYS N N 15 119.69 0.3 . 1 . . . . . . . . 4798 1 615 . 1 1 152 152 ILE H H 1 8.10 0.04 . 1 . . . . . . . . 4798 1 616 . 1 1 152 152 ILE HA H 1 3.67 0.04 . 1 . . . . . . . . 4798 1 617 . 1 1 152 152 ILE HB H 1 2.08 0.04 . 1 . . . . . . . . 4798 1 618 . 1 1 152 152 ILE C C 13 178.05 0.3 . 1 . . . . . . . . 4798 1 619 . 1 1 152 152 ILE CA C 13 65.28 0.3 . 1 . . . . . . . . 4798 1 620 . 1 1 152 152 ILE CB C 13 37.75 0.3 . 1 . . . . . . . . 4798 1 621 . 1 1 152 152 ILE N N 15 120.35 0.3 . 1 . . . . . . . . 4798 1 622 . 1 1 153 153 PHE H H 1 9.11 0.04 . 1 . . . . . . . . 4798 1 623 . 1 1 153 153 PHE HA H 1 3.75 0.04 . 1 . . . . . . . . 4798 1 624 . 1 1 153 153 PHE HB2 H 1 3.18 0.04 . 2 . . . . . . . . 4798 1 625 . 1 1 153 153 PHE HB3 H 1 3.39 0.04 . 2 . . . . . . . . 4798 1 626 . 1 1 153 153 PHE C C 13 178.45 0.3 . 1 . . . . . . . . 4798 1 627 . 1 1 153 153 PHE CA C 13 63.49 0.3 . 1 . . . . . . . . 4798 1 628 . 1 1 153 153 PHE CB C 13 38.91 0.3 . 1 . . . . . . . . 4798 1 629 . 1 1 153 153 PHE N N 15 121.27 0.3 . 1 . . . . . . . . 4798 1 630 . 1 1 154 154 LYS H H 1 8.08 0.04 . 1 . . . . . . . . 4798 1 631 . 1 1 154 154 LYS HA H 1 4.15 0.04 . 1 . . . . . . . . 4798 1 632 . 1 1 154 154 LYS HB2 H 1 2.02 0.04 . 2 . . . . . . . . 4798 1 633 . 1 1 154 154 LYS C C 13 178.60 0.3 . 1 . . . . . . . . 4798 1 634 . 1 1 154 154 LYS CA C 13 58.74 0.3 . 1 . . . . . . . . 4798 1 635 . 1 1 154 154 LYS CB C 13 31.95 0.3 . 1 . . . . . . . . 4798 1 636 . 1 1 154 154 LYS N N 15 118.74 0.3 . 1 . . . . . . . . 4798 1 637 . 1 1 155 155 LEU H H 1 7.47 0.04 . 1 . . . . . . . . 4798 1 638 . 1 1 155 155 LEU HA H 1 4.20 0.04 . 1 . . . . . . . . 4798 1 639 . 1 1 155 155 LEU HB2 H 1 1.77 0.04 . 2 . . . . . . . . 4798 1 640 . 1 1 155 155 LEU C C 13 178.33 0.04 . 1 . . . . . . . . 4798 1 641 . 1 1 155 155 LEU CA C 13 57.34 0.04 . 1 . . . . . . . . 4798 1 642 . 1 1 155 155 LEU CB C 13 42.93 0.04 . 1 . . . . . . . . 4798 1 643 . 1 1 155 155 LEU N N 15 117.39 0.3 . 1 . . . . . . . . 4798 1 644 . 1 1 156 156 MET H H 1 8.26 0.04 . 1 . . . . . . . . 4798 1 645 . 1 1 156 156 MET HA H 1 4.35 0.04 . 1 . . . . . . . . 4798 1 646 . 1 1 156 156 MET HB2 H 1 1.77 0.04 . 2 . . . . . . . . 4798 1 647 . 1 1 156 156 MET C C 13 177.66 0.3 . 1 . . . . . . . . 4798 1 648 . 1 1 156 156 MET CA C 13 57.99 0.3 . 1 . . . . . . . . 4798 1 649 . 1 1 156 156 MET CB C 13 35.18 0.3 . 1 . . . . . . . . 4798 1 650 . 1 1 156 156 MET N N 15 113.08 0.3 . 1 . . . . . . . . 4798 1 651 . 1 1 157 157 ASP H H 1 8.57 0.04 . 1 . . . . . . . . 4798 1 652 . 1 1 157 157 ASP HA H 1 4.78 0.04 . 1 . . . . . . . . 4798 1 653 . 1 1 157 157 ASP HB2 H 1 2.16 0.04 . 2 . . . . . . . . 4798 1 654 . 1 1 157 157 ASP HB3 H 1 3.17 0.04 . 2 . . . . . . . . 4798 1 655 . 1 1 157 157 ASP C C 13 178.04 0.3 . 2 . . . . . . . . 4798 1 656 . 1 1 157 157 ASP CA C 13 53.19 0.3 . 1 . . . . . . . . 4798 1 657 . 1 1 157 157 ASP CB C 13 38.87 0.3 . 1 . . . . . . . . 4798 1 658 . 1 1 157 157 ASP N N 15 118.46 0.3 . 1 . . . . . . . . 4798 1 659 . 1 1 158 158 LYS H H 1 7.87 0.04 . 1 . . . . . . . . 4798 1 660 . 1 1 158 158 LYS HA H 1 4.07 0.04 . 1 . . . . . . . . 4798 1 661 . 1 1 158 158 LYS HB2 H 1 1.94 0.04 . 2 . . . . . . . . 4798 1 662 . 1 1 158 158 LYS C C 13 177.45 0.3 . 1 . . . . . . . . 4798 1 663 . 1 1 158 158 LYS CA C 13 58.75 0.3 . 1 . . . . . . . . 4798 1 664 . 1 1 158 158 LYS CB C 13 32.86 0.3 . 1 . . . . . . . . 4798 1 665 . 1 1 158 158 LYS N N 15 127.26 0.3 . 1 . . . . . . . . 4798 1 666 . 1 1 159 159 ASN H H 1 7.91 0.04 . 1 . . . . . . . . 4798 1 667 . 1 1 159 159 ASN HA H 1 4.84 0.04 . 1 . . . . . . . . 4798 1 668 . 1 1 159 159 ASN HB2 H 1 2.85 0.04 . 2 . . . . . . . . 4798 1 669 . 1 1 159 159 ASN HB3 H 1 3.31 0.04 . 2 . . . . . . . . 4798 1 670 . 1 1 159 159 ASN C C 13 174.27 0.3 . 1 . . . . . . . . 4798 1 671 . 1 1 159 159 ASN CA C 13 51.80 0.3 . 1 . . . . . . . . 4798 1 672 . 1 1 159 159 ASN CB C 13 36.89 0.3 . 1 . . . . . . . . 4798 1 673 . 1 1 159 159 ASN N N 15 112.99 0.3 . 1 . . . . . . . . 4798 1 674 . 1 1 160 160 GLU H H 1 7.72 0.04 . 1 . . . . . . . . 4798 1 675 . 1 1 160 160 GLU HA H 1 3.85 0.04 . 1 . . . . . . . . 4798 1 676 . 1 1 160 160 GLU HB2 H 1 2.07 0.04 . 2 . . . . . . . . 4798 1 677 . 1 1 160 160 GLU HB3 H 1 2.25 0.04 . 2 . . . . . . . . 4798 1 678 . 1 1 160 160 GLU C C 13 175.38 0.3 . 1 . . . . . . . . 4798 1 679 . 1 1 160 160 GLU CA C 13 57.93 0.3 . 1 . . . . . . . . 4798 1 680 . 1 1 160 160 GLU CB C 13 27.85 0.3 . 1 . . . . . . . . 4798 1 681 . 1 1 160 160 GLU N N 15 115.66 0.3 . 1 . . . . . . . . 4798 1 682 . 1 1 161 161 ASP H H 1 8.31 0.04 . 1 . . . . . . . . 4798 1 683 . 1 1 161 161 ASP HA H 1 4.64 0.04 . 1 . . . . . . . . 4798 1 684 . 1 1 161 161 ASP HB2 H 1 2.48 0.04 . 2 . . . . . . . . 4798 1 685 . 1 1 161 161 ASP HB3 H 1 3.11 0.04 . 2 . . . . . . . . 4798 1 686 . 1 1 161 161 ASP C C 13 177.26 0.04 . 1 . . . . . . . . 4798 1 687 . 1 1 161 161 ASP CA C 13 53.17 0.04 . 1 . . . . . . . . 4798 1 688 . 1 1 161 161 ASP CB C 13 40.99 0.04 . 1 . . . . . . . . 4798 1 689 . 1 1 161 161 ASP N N 15 117.38 0.3 . 1 . . . . . . . . 4798 1 690 . 1 1 162 162 GLY H H 1 10.33 0.04 . 1 . . . . . . . . 4798 1 691 . 1 1 162 162 GLY HA2 H 1 4.02 0.04 . 2 . . . . . . . . 4798 1 692 . 1 1 162 162 GLY HA3 H 1 3.50 0.04 . 2 . . . . . . . . 4798 1 693 . 1 1 162 162 GLY C C 13 172.70 0.3 . 1 . . . . . . . . 4798 1 694 . 1 1 162 162 GLY CA C 13 45.26 0.3 . 1 . . . . . . . . 4798 1 695 . 1 1 162 162 GLY N N 15 112.15 0.3 . 1 . . . . . . . . 4798 1 696 . 1 1 163 163 TYR H H 1 8.15 0.04 . 1 . . . . . . . . 4798 1 697 . 1 1 163 163 TYR HA H 1 5.41 0.04 . 1 . . . . . . . . 4798 1 698 . 1 1 163 163 TYR HB2 H 1 2.73 0.04 . 2 . . . . . . . . 4798 1 699 . 1 1 163 163 TYR HB3 H 1 2.87 0.04 . 2 . . . . . . . . 4798 1 700 . 1 1 163 163 TYR C C 13 175.87 0.3 . 1 . . . . . . . . 4798 1 701 . 1 1 163 163 TYR CA C 13 55.31 0.3 . 1 . . . . . . . . 4798 1 702 . 1 1 163 163 TYR CB C 13 41.97 0.3 . 1 . . . . . . . . 4798 1 703 . 1 1 163 163 TYR N N 15 117.94 0.3 . 1 . . . . . . . . 4798 1 704 . 1 1 164 164 ILE H H 1 9.64 0.04 . 1 . . . . . . . . 4798 1 705 . 1 1 164 164 ILE HA H 1 5.26 0.04 . 1 . . . . . . . . 4798 1 706 . 1 1 164 164 ILE HB H 1 1.79 0.04 . 1 . . . . . . . . 4798 1 707 . 1 1 164 164 ILE C C 13 177.15 0.3 . 1 . . . . . . . . 4798 1 708 . 1 1 164 164 ILE CA C 13 60.60 0.3 . 1 . . . . . . . . 4798 1 709 . 1 1 164 164 ILE CB C 13 39.58 0.3 . 1 . . . . . . . . 4798 1 710 . 1 1 164 164 ILE N N 15 125.77 0.3 . 1 . . . . . . . . 4798 1 711 . 1 1 165 165 THR H H 1 8.70 0.04 . 1 . . . . . . . . 4798 1 712 . 1 1 165 165 THR HA H 1 4.96 0.04 . 1 . . . . . . . . 4798 1 713 . 1 1 165 165 THR HB H 1 4.77 0.04 . 1 . . . . . . . . 4798 1 714 . 1 1 165 165 THR C C 13 175.97 0.3 . 1 . . . . . . . . 4798 1 715 . 1 1 165 165 THR CA C 13 60.42 0.3 . 1 . . . . . . . . 4798 1 716 . 1 1 165 165 THR CB C 13 71.46 0.3 . 1 . . . . . . . . 4798 1 717 . 1 1 165 165 THR N N 15 118.41 0.3 . 1 . . . . . . . . 4798 1 718 . 1 1 166 166 LEU H H 1 8.89 0.04 . 1 . . . . . . . . 4798 1 719 . 1 1 166 166 LEU HA H 1 3.45 0.04 . 1 . . . . . . . . 4798 1 720 . 1 1 166 166 LEU HB2 H 1 1.64 0.04 . 2 . . . . . . . . 4798 1 721 . 1 1 166 166 LEU HB3 H 1 1.40 0.04 . 2 . . . . . . . . 4798 1 722 . 1 1 166 166 LEU C C 13 178.34 0.3 . 1 . . . . . . . . 4798 1 723 . 1 1 166 166 LEU CA C 13 55.35 0.3 . 1 . . . . . . . . 4798 1 724 . 1 1 166 166 LEU CB C 13 42.64 0.3 . 1 . . . . . . . . 4798 1 725 . 1 1 166 166 LEU N N 15 124.13 0.3 . 1 . . . . . . . . 4798 1 726 . 1 1 167 167 ASP H H 1 8.22 0.04 . 1 . . . . . . . . 4798 1 727 . 1 1 167 167 ASP HA H 1 4.35 0.04 . 1 . . . . . . . . 4798 1 728 . 1 1 167 167 ASP HB2 H 1 2.57 0.04 . 2 . . . . . . . . 4798 1 729 . 1 1 167 167 ASP HB3 H 1 2.68 0.04 . 2 . . . . . . . . 4798 1 730 . 1 1 167 167 ASP C C 13 179.31 0.3 . 1 . . . . . . . . 4798 1 731 . 1 1 167 167 ASP CA C 13 57.82 0.3 . 1 . . . . . . . . 4798 1 732 . 1 1 167 167 ASP CB C 13 40.30 0.3 . 1 . . . . . . . . 4798 1 733 . 1 1 167 167 ASP N N 15 116.71 0.3 . 1 . . . . . . . . 4798 1 734 . 1 1 168 168 GLU H H 1 7.57 0.04 . 1 . . . . . . . . 4798 1 735 . 1 1 168 168 GLU HA H 1 4.15 0.04 . 1 . . . . . . . . 4798 1 736 . 1 1 168 168 GLU HB2 H 1 2.48 0.04 . 2 . . . . . . . . 4798 1 737 . 1 1 168 168 GLU C C 13 179.79 0.3 . 1 . . . . . . . . 4798 1 738 . 1 1 168 168 GLU CA C 13 59.12 0.3 . 1 . . . . . . . . 4798 1 739 . 1 1 168 168 GLU CB C 13 30.20 0.3 . 1 . . . . . . . . 4798 1 740 . 1 1 168 168 GLU N N 15 120.39 0.3 . 1 . . . . . . . . 4798 1 741 . 1 1 169 169 PHE H H 1 9.06 0.04 . 1 . . . . . . . . 4798 1 742 . 1 1 169 169 PHE HA H 1 4.51 0.04 . 1 . . . . . . . . 4798 1 743 . 1 1 169 169 PHE HB2 H 1 3.31 0.04 . 2 . . . . . . . . 4798 1 744 . 1 1 169 169 PHE C C 13 178.06 0.3 . 1 . . . . . . . . 4798 1 745 . 1 1 169 169 PHE CA C 13 60.74 0.3 . 1 . . . . . . . . 4798 1 746 . 1 1 169 169 PHE CB C 13 40.78 0.3 . 1 . . . . . . . . 4798 1 747 . 1 1 169 169 PHE N N 15 124.09 0.3 . 1 . . . . . . . . 4798 1 748 . 1 1 170 170 ARG H H 1 9.05 0.04 . 1 . . . . . . . . 4798 1 749 . 1 1 170 170 ARG HA H 1 3.91 0.04 . 1 . . . . . . . . 4798 1 750 . 1 1 170 170 ARG C C 13 177.05 0.3 . 1 . . . . . . . . 4798 1 751 . 1 1 170 170 ARG CA C 13 60.24 0.3 . 1 . . . . . . . . 4798 1 752 . 1 1 170 170 ARG CB C 13 30.38 0.3 . 1 . . . . . . . . 4798 1 753 . 1 1 170 170 ARG N N 15 119.95 0.3 . 1 . . . . . . . . 4798 1 754 . 1 1 171 171 GLU H H 1 7.75 0.04 . 1 . . . . . . . . 4798 1 755 . 1 1 171 171 GLU HA H 1 4.08 0.04 . 1 . . . . . . . . 4798 1 756 . 1 1 171 171 GLU HB2 H 1 1.90 0.04 . 2 . . . . . . . . 4798 1 757 . 1 1 171 171 GLU HB3 H 1 2.09 0.04 . 2 . . . . . . . . 4798 1 758 . 1 1 171 171 GLU C C 13 179.76 0.3 . 1 . . . . . . . . 4798 1 759 . 1 1 171 171 GLU CA C 13 59.17 0.3 . 1 . . . . . . . . 4798 1 760 . 1 1 171 171 GLU CB C 13 29.64 0.3 . 1 . . . . . . . . 4798 1 761 . 1 1 171 171 GLU N N 15 117.48 0.3 . 1 . . . . . . . . 4798 1 762 . 1 1 172 172 GLY H H 1 8.44 0.04 . 1 . . . . . . . . 4798 1 763 . 1 1 172 172 GLY HA2 H 1 3.96 0.04 . 2 . . . . . . . . 4798 1 764 . 1 1 172 172 GLY HA3 H 1 3.68 0.04 . 2 . . . . . . . . 4798 1 765 . 1 1 172 172 GLY C C 13 175.32 0.3 . 1 . . . . . . . . 4798 1 766 . 1 1 172 172 GLY CA C 13 47.03 0.3 . 1 . . . . . . . . 4798 1 767 . 1 1 172 172 GLY N N 15 106.27 0.3 . 1 . . . . . . . . 4798 1 768 . 1 1 173 173 SER H H 1 7.89 0.04 . 1 . . . . . . . . 4798 1 769 . 1 1 173 173 SER HA H 1 3.94 0.04 . 1 . . . . . . . . 4798 1 770 . 1 1 173 173 SER HB2 H 1 4.40 0.04 . 2 . . . . . . . . 4798 1 771 . 1 1 173 173 SER C C 13 174.28 0.3 . 1 . . . . . . . . 4798 1 772 . 1 1 173 173 SER CA C 13 61.60 0.3 . 1 . . . . . . . . 4798 1 773 . 1 1 173 173 SER CB C 13 63.43 0.3 . 1 . . . . . . . . 4798 1 774 . 1 1 173 173 SER N N 15 116.70 0.3 . 1 . . . . . . . . 4798 1 775 . 1 1 174 174 LYS H H 1 7.08 0.04 . 1 . . . . . . . . 4798 1 776 . 1 1 174 174 LYS HA H 1 4.07 0.04 . 1 . . . . . . . . 4798 1 777 . 1 1 174 174 LYS HB2 H 1 1.89 0.04 . 2 . . . . . . . . 4798 1 778 . 1 1 174 174 LYS C C 13 177.70 0.3 . 1 . . . . . . . . 4798 1 779 . 1 1 174 174 LYS CA C 13 58.09 0.3 . 1 . . . . . . . . 4798 1 780 . 1 1 174 174 LYS CB C 13 32.78 0.3 . 1 . . . . . . . . 4798 1 781 . 1 1 174 174 LYS N N 15 118.10 0.3 . 1 . . . . . . . . 4798 1 782 . 1 1 175 175 VAL H H 1 7.18 0.04 . 1 . . . . . . . . 4798 1 783 . 1 1 175 175 VAL HA H 1 4.00 0.04 . 1 . . . . . . . . 4798 1 784 . 1 1 175 175 VAL HB H 1 2.20 0.04 . 1 . . . . . . . . 4798 1 785 . 1 1 175 175 VAL C C 13 176.04 0.3 . 1 . . . . . . . . 4798 1 786 . 1 1 175 175 VAL CA C 13 63.84 0.3 . 1 . . . . . . . . 4798 1 787 . 1 1 175 175 VAL CB C 13 32.30 0.3 . 1 . . . . . . . . 4798 1 788 . 1 1 175 175 VAL N N 15 116.43 0.3 . 1 . . . . . . . . 4798 1 789 . 1 1 176 176 ASP H H 1 7.55 0.04 . 1 . . . . . . . . 4798 1 790 . 1 1 176 176 ASP HA H 1 5.04 0.04 . 1 . . . . . . . . 4798 1 791 . 1 1 176 176 ASP HB2 H 1 2.39 0.04 . 2 . . . . . . . . 4798 1 792 . 1 1 176 176 ASP HB3 H 1 2.82 0.04 . 2 . . . . . . . . 4798 1 793 . 1 1 176 176 ASP CA C 13 51.11 0.3 . 1 . . . . . . . . 4798 1 794 . 1 1 176 176 ASP CB C 13 41.52 0.3 . 1 . . . . . . . . 4798 1 795 . 1 1 176 176 ASP N N 15 116.97 0.3 . 1 . . . . . . . . 4798 1 796 . 1 1 177 177 PRO HA H 1 4.57 0.04 . 1 . . . . . . . . 4798 1 797 . 1 1 177 177 PRO HB2 H 1 2.01 0.04 . 2 . . . . . . . . 4798 1 798 . 1 1 177 177 PRO HB3 H 1 2.37 0.04 . 2 . . . . . . . . 4798 1 799 . 1 1 177 177 PRO C C 13 178.39 0.3 . 1 . . . . . . . . 4798 1 800 . 1 1 177 177 PRO CA C 13 64.00 0.3 . 1 . . . . . . . . 4798 1 801 . 1 1 177 177 PRO CB C 13 32.14 0.3 . 1 . . . . . . . . 4798 1 802 . 1 1 178 178 SER H H 1 8.35 0.04 . 1 . . . . . . . . 4798 1 803 . 1 1 178 178 SER HA H 1 3.94 0.04 . 1 . . . . . . . . 4798 1 804 . 1 1 178 178 SER HB2 H 1 4.22 0.4 . 2 . . . . . . . . 4798 1 805 . 1 1 178 178 SER C C 13 176.46 0.3 . 1 . . . . . . . . 4798 1 806 . 1 1 178 178 SER CA C 13 61.63 0.3 . 1 . . . . . . . . 4798 1 807 . 1 1 178 178 SER CB C 13 63.35 0.3 . 1 . . . . . . . . 4798 1 808 . 1 1 178 178 SER N N 15 116.33 0.3 . 1 . . . . . . . . 4798 1 809 . 1 1 179 179 ILE H H 1 7.49 0.04 . 1 . . . . . . . . 4798 1 810 . 1 1 179 179 ILE HA H 1 4.00 0.04 . 1 . . . . . . . . 4798 1 811 . 1 1 179 179 ILE CA C 13 62.89 0.3 . 1 . . . . . . . . 4798 1 812 . 1 1 179 179 ILE CB C 13 37.89 0.3 . 1 . . . . . . . . 4798 1 813 . 1 1 179 179 ILE N N 15 121.41 0.3 . 1 . . . . . . . . 4798 1 814 . 1 1 180 180 ILE HA H 1 4.57 0.04 . 1 . . . . . . . . 4798 1 815 . 1 1 180 180 ILE HB H 1 2.68 0.04 . 1 . . . . . . . . 4798 1 816 . 1 1 180 180 ILE C C 13 177.03 0.3 . 1 . . . . . . . . 4798 1 817 . 1 1 180 180 ILE CA C 13 61.76 0.3 . 1 . . . . . . . . 4798 1 818 . 1 1 180 180 ILE CB C 13 37.89 0.3 . 1 . . . . . . . . 4798 1 819 . 1 1 181 181 GLY H H 1 7.96 0.04 . 1 . . . . . . . . 4798 1 820 . 1 1 181 181 GLY HA2 H 1 3.94 0.04 . 2 . . . . . . . . 4798 1 821 . 1 1 181 181 GLY C C 13 174.91 0.3 . 1 . . . . . . . . 4798 1 822 . 1 1 181 181 GLY CA C 13 46.95 0.3 . 1 . . . . . . . . 4798 1 823 . 1 1 181 181 GLY N N 15 108.44 0.3 . 1 . . . . . . . . 4798 1 824 . 1 1 182 182 ALA H H 1 7.81 0.04 . 1 . . . . . . . . 4798 1 825 . 1 1 182 182 ALA HA H 1 4.22 0.04 . 1 . . . . . . . . 4798 1 826 . 1 1 182 182 ALA HB1 H 1 1.43 0.04 . 1 . . . . . . . . 4798 1 827 . 1 1 182 182 ALA HB2 H 1 1.43 0.04 . 1 . . . . . . . . 4798 1 828 . 1 1 182 182 ALA HB3 H 1 1.43 0.04 . 1 . . . . . . . . 4798 1 829 . 1 1 182 182 ALA C C 13 177.32 0.3 . 1 . . . . . . . . 4798 1 830 . 1 1 182 182 ALA CA C 13 53.67 0.3 . 1 . . . . . . . . 4798 1 831 . 1 1 182 182 ALA CB C 13 18.89 0.3 . 1 . . . . . . . . 4798 1 832 . 1 1 182 182 ALA N N 15 121.99 0.3 . 1 . . . . . . . . 4798 1 833 . 1 1 183 183 LEU H H 1 7.66 0.04 . 1 . . . . . . . . 4798 1 834 . 1 1 183 183 LEU HA H 1 4.28 0.04 . 1 . . . . . . . . 4798 1 835 . 1 1 183 183 LEU C C 13 175.83 0.3 . 1 . . . . . . . . 4798 1 836 . 1 1 183 183 LEU CA C 13 56.42 0.3 . 1 . . . . . . . . 4798 1 837 . 1 1 183 183 LEU CB C 13 42.63 0.3 . 1 . . . . . . . . 4798 1 838 . 1 1 183 183 LEU N N 15 115.54 0.3 . 1 . . . . . . . . 4798 1 839 . 1 1 186 186 TYR HA H 1 4.51 0.04 . 1 . . . . . . . . 4798 1 840 . 1 1 186 186 TYR HB2 H 1 2.68 0.04 . 2 . . . . . . . . 4798 1 841 . 1 1 186 186 TYR C C 13 175.83 0.3 . 1 . . . . . . . . 4798 1 842 . 1 1 186 186 TYR CA C 13 58.66 0.3 . 1 . . . . . . . . 4798 1 843 . 1 1 186 186 TYR CB C 13 38.63 0.3 . 1 . . . . . . . . 4798 1 844 . 1 1 187 187 ASP H H 1 7.88 0.04 . 1 . . . . . . . . 4798 1 845 . 1 1 187 187 ASP HA H 1 4.50 0.04 . 1 . . . . . . . . 4798 1 846 . 1 1 187 187 ASP HB2 H 1 2.67 0.04 . 2 . . . . . . . . 4798 1 847 . 1 1 187 187 ASP C C 13 176.93 0.3 . 1 . . . . . . . . 4798 1 848 . 1 1 187 187 ASP CA C 13 55.46 0.3 . 1 . . . . . . . . 4798 1 849 . 1 1 187 187 ASP CB C 13 41.32 0.3 . 1 . . . . . . . . 4798 1 850 . 1 1 187 187 ASP N N 15 120.38 0.3 . 1 . . . . . . . . 4798 1 851 . 1 1 188 188 GLY H H 1 7.92 0.04 . 1 . . . . . . . . 4798 1 852 . 1 1 188 188 GLY HA2 H 1 3.91 0.04 . 2 . . . . . . . . 4798 1 853 . 1 1 188 188 GLY C C 13 174.32 0.3 . 1 . . . . . . . . 4798 1 854 . 1 1 188 188 GLY CA C 13 45.82 0.3 . 1 . . . . . . . . 4798 1 855 . 1 1 188 188 GLY N N 15 108.08 0.3 . 1 . . . . . . . . 4798 1 856 . 1 1 189 189 LEU H H 1 7.82 0.04 . 1 . . . . . . . . 4798 1 857 . 1 1 189 189 LEU HA H 1 4.34 0.04 . 1 . . . . . . . . 4798 1 858 . 1 1 189 189 LEU HB2 H 1 1.67 0.04 . 2 . . . . . . . . 4798 1 859 . 1 1 189 189 LEU C C 13 175.92 0.3 . 1 . . . . . . . . 4798 1 860 . 1 1 189 189 LEU CA C 13 55.31 0.3 . 1 . . . . . . . . 4798 1 861 . 1 1 189 189 LEU CB C 13 42.56 0.3 . 1 . . . . . . . . 4798 1 862 . 1 1 189 189 LEU N N 15 120.45 0.3 . 1 . . . . . . . . 4798 1 stop_ save_