data_19377 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19377 _Entry.Title ; 1H, 15N, 13C Backbone and 13Cbeta Chemical Shift Assignment of mouse Interleukin-10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-19 _Entry.Accession_date 2013-07-19 _Entry.Last_release_date 2013-07-23 _Entry.Original_release_date 2013-07-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Georg Kuenze . . . 19377 2 Stephan Theisgen . . . 19377 3 Daniel Huster . . . 19377 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19377 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 457 19377 '15N chemical shifts' 152 19377 '1H chemical shifts' 214 19377 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-07-23 2013-07-19 original author . 19377 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19377 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone 1H, 15N, 13C and side chain 13Cbeta NMR chemical shift assignment of murine interleukin-10' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Georg Kuenze . . . 19377 1 2 Stephan Theisgen . . . 19377 1 3 Daniel Huster . . . 19377 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19377 _Assembly.ID 1 _Assembly.Name 'IL10 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 40320 _Assembly.Enzyme_commission_number . _Assembly.Details dimer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'IL-10, Chain A' 1 $IL-10 A . yes native no no 1 . . 19377 1 2 'IL-10, Chain B' 1 $IL-10 B . yes native no no 1 . . 19377 1 3 N-terminus 1 $IL-10 A . yes native no yes 2 . 'comprises Aa residues 3-10, which show a second signal due to chemical exchange' 19377 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 12 12 SG . 1 . 1 CYS 108 108 SG . . . . . . . . . . 19377 1 2 disulfide single . 1 . 1 CYS 62 62 SG . 1 . 1 CYS 114 114 SG . . . . . . . . . . 19377 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2ILK . . X-ray 1.6 'Structure of human Interleukin-10' . 19377 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IL-10 _Entity.Sf_category entity _Entity.Sf_framecode IL-10 _Entity.Entry_ID 19377 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IL-10 _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 ; SRGQYSREDNNCTHFPVGQS HMLLELRTAFSQVKTFFQTK DQLDNILLTDSLMQDFKGYL GCQALSEMIQFYLVEVMPQA EKHGPEIKEHLNSLGEKLKT LRMRLRRCHRFLPCENKSKA VEQVKSDFNKLQDQGVYKAM NEFDIFINYIEAYMMIKMKS LEHHHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C149Y _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20160 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P18893 . IL10_MOUSE . . . . . . . . . . . . . . 19377 1 2 no PDB 4X51 . "X-ray Structure Of Mouse Interleukin-10 Mutant - S1_e8del, C149y" . . . . . 95.29 162 100.00 100.00 4.69e-116 . . . . 19377 1 3 no DBJ BAE31139 . "unnamed protein product [Mus musculus]" . . . . . 94.12 178 98.75 98.75 4.51e-112 . . . . 19377 1 4 no GB AAA39274 . "interleukin 10 precursor [Mus musculus]" . . . . . 94.12 178 99.38 99.38 5.36e-113 . . . . 19377 1 5 no GB AAA39275 . "interleukin 10 [Mus musculus domesticus]" . . . . . 94.12 178 99.38 99.38 5.36e-113 . . . . 19377 1 6 no GB AAI20613 . "Interleukin 10 [Mus musculus]" . . . . . 94.12 178 99.38 99.38 5.36e-113 . . . . 19377 1 7 no GB AAI37845 . "Interleukin 10 [Mus musculus]" . . . . . 94.12 178 99.38 99.38 5.36e-113 . . . . 19377 1 8 no GB EDL39722 . "interleukin 10 [Mus musculus]" . . . . . 94.12 178 99.38 99.38 5.36e-113 . . . . 19377 1 9 no REF NP_034678 . "interleukin-10 precursor [Mus musculus]" . . . . . 94.12 178 99.38 99.38 5.36e-113 . . . . 19377 1 10 no SP P18893 . "RecName: Full=Interleukin-10; Short=IL-10; AltName: Full=Cytokine synthesis inhibitory factor; Short=CSIF; Flags: Precursor" . . . . . 94.12 178 99.38 99.38 5.36e-113 . . . . 19377 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cytokine, immune system' 19377 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 . SER . 19377 1 2 . ARG . 19377 1 3 . GLY . 19377 1 4 . GLN . 19377 1 5 . TYR . 19377 1 6 . SER . 19377 1 7 . ARG . 19377 1 8 . GLU . 19377 1 9 . ASP . 19377 1 10 . ASN . 19377 1 11 . ASN . 19377 1 12 . CYS . 19377 1 13 . THR . 19377 1 14 . HIS . 19377 1 15 . PHE . 19377 1 16 . PRO . 19377 1 17 . VAL . 19377 1 18 . GLY . 19377 1 19 . GLN . 19377 1 20 . SER . 19377 1 21 . HIS . 19377 1 22 . MET . 19377 1 23 . LEU . 19377 1 24 . LEU . 19377 1 25 . GLU . 19377 1 26 . LEU . 19377 1 27 . ARG . 19377 1 28 . THR . 19377 1 29 . ALA . 19377 1 30 . PHE . 19377 1 31 . SER . 19377 1 32 . GLN . 19377 1 33 . VAL . 19377 1 34 . LYS . 19377 1 35 . THR . 19377 1 36 . PHE . 19377 1 37 . PHE . 19377 1 38 . GLN . 19377 1 39 . THR . 19377 1 40 . LYS . 19377 1 41 . ASP . 19377 1 42 . GLN . 19377 1 43 . LEU . 19377 1 44 . ASP . 19377 1 45 . ASN . 19377 1 46 . ILE . 19377 1 47 . LEU . 19377 1 48 . LEU . 19377 1 49 . THR . 19377 1 50 . ASP . 19377 1 51 . SER . 19377 1 52 . LEU . 19377 1 53 . MET . 19377 1 54 . GLN . 19377 1 55 . ASP . 19377 1 56 . PHE . 19377 1 57 . LYS . 19377 1 58 . GLY . 19377 1 59 . TYR . 19377 1 60 . LEU . 19377 1 61 . GLY . 19377 1 62 . CYS . 19377 1 63 . GLN . 19377 1 64 . ALA . 19377 1 65 . LEU . 19377 1 66 . SER . 19377 1 67 . GLU . 19377 1 68 . MET . 19377 1 69 . ILE . 19377 1 70 . GLN . 19377 1 71 . PHE . 19377 1 72 . TYR . 19377 1 73 . LEU . 19377 1 74 . VAL . 19377 1 75 . GLU . 19377 1 76 . VAL . 19377 1 77 . MET . 19377 1 78 . PRO . 19377 1 79 . GLN . 19377 1 80 . ALA . 19377 1 81 . GLU . 19377 1 82 . LYS . 19377 1 83 . HIS . 19377 1 84 . GLY . 19377 1 85 . PRO . 19377 1 86 . GLU . 19377 1 87 . ILE . 19377 1 88 . LYS . 19377 1 89 . GLU . 19377 1 90 . HIS . 19377 1 91 . LEU . 19377 1 92 . ASN . 19377 1 93 . SER . 19377 1 94 . LEU . 19377 1 95 . GLY . 19377 1 96 . GLU . 19377 1 97 . LYS . 19377 1 98 . LEU . 19377 1 99 . LYS . 19377 1 100 . THR . 19377 1 101 . LEU . 19377 1 102 . ARG . 19377 1 103 . MET . 19377 1 104 . ARG . 19377 1 105 . LEU . 19377 1 106 . ARG . 19377 1 107 . ARG . 19377 1 108 . CYS . 19377 1 109 . HIS . 19377 1 110 . ARG . 19377 1 111 . PHE . 19377 1 112 . LEU . 19377 1 113 . PRO . 19377 1 114 . CYS . 19377 1 115 . GLU . 19377 1 116 . ASN . 19377 1 117 . LYS . 19377 1 118 . SER . 19377 1 119 . LYS . 19377 1 120 . ALA . 19377 1 121 . VAL . 19377 1 122 . GLU . 19377 1 123 . GLN . 19377 1 124 . VAL . 19377 1 125 . LYS . 19377 1 126 . SER . 19377 1 127 . ASP . 19377 1 128 . PHE . 19377 1 129 . ASN . 19377 1 130 . LYS . 19377 1 131 . LEU . 19377 1 132 . GLN . 19377 1 133 . ASP . 19377 1 134 . GLN . 19377 1 135 . GLY . 19377 1 136 . VAL . 19377 1 137 . TYR . 19377 1 138 . LYS . 19377 1 139 . ALA . 19377 1 140 . MET . 19377 1 141 . ASN . 19377 1 142 . GLU . 19377 1 143 . PHE . 19377 1 144 . ASP . 19377 1 145 . ILE . 19377 1 146 . PHE . 19377 1 147 . ILE . 19377 1 148 . ASN . 19377 1 149 . TYR . 19377 1 150 . ILE . 19377 1 151 . GLU . 19377 1 152 . ALA . 19377 1 153 . TYR . 19377 1 154 . MET . 19377 1 155 . MET . 19377 1 156 . ILE . 19377 1 157 . LYS . 19377 1 158 . MET . 19377 1 159 . LYS . 19377 1 160 . SER . 19377 1 161 . LEU . 19377 1 162 . GLU . 19377 1 163 . HIS . 19377 1 164 . HIS . 19377 1 165 . HIS . 19377 1 166 . HIS . 19377 1 167 . HIS . 19377 1 168 . HIS . 19377 1 169 . HIS . 19377 1 170 . HIS . 19377 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 . SER 1 1 19377 1 . ARG 2 2 19377 1 . GLY 3 3 19377 1 . GLN 4 4 19377 1 . TYR 5 5 19377 1 . SER 6 6 19377 1 . ARG 7 7 19377 1 . GLU 8 8 19377 1 . ASP 9 9 19377 1 . ASN 10 10 19377 1 . ASN 11 11 19377 1 . CYS 12 12 19377 1 . THR 13 13 19377 1 . HIS 14 14 19377 1 . PHE 15 15 19377 1 . PRO 16 16 19377 1 . VAL 17 17 19377 1 . GLY 18 18 19377 1 . GLN 19 19 19377 1 . SER 20 20 19377 1 . HIS 21 21 19377 1 . MET 22 22 19377 1 . LEU 23 23 19377 1 . LEU 24 24 19377 1 . GLU 25 25 19377 1 . LEU 26 26 19377 1 . ARG 27 27 19377 1 . THR 28 28 19377 1 . ALA 29 29 19377 1 . PHE 30 30 19377 1 . SER 31 31 19377 1 . GLN 32 32 19377 1 . VAL 33 33 19377 1 . LYS 34 34 19377 1 . THR 35 35 19377 1 . PHE 36 36 19377 1 . PHE 37 37 19377 1 . GLN 38 38 19377 1 . THR 39 39 19377 1 . LYS 40 40 19377 1 . ASP 41 41 19377 1 . GLN 42 42 19377 1 . LEU 43 43 19377 1 . ASP 44 44 19377 1 . ASN 45 45 19377 1 . ILE 46 46 19377 1 . LEU 47 47 19377 1 . LEU 48 48 19377 1 . THR 49 49 19377 1 . ASP 50 50 19377 1 . SER 51 51 19377 1 . LEU 52 52 19377 1 . MET 53 53 19377 1 . GLN 54 54 19377 1 . ASP 55 55 19377 1 . PHE 56 56 19377 1 . LYS 57 57 19377 1 . GLY 58 58 19377 1 . TYR 59 59 19377 1 . LEU 60 60 19377 1 . GLY 61 61 19377 1 . CYS 62 62 19377 1 . GLN 63 63 19377 1 . ALA 64 64 19377 1 . LEU 65 65 19377 1 . SER 66 66 19377 1 . GLU 67 67 19377 1 . MET 68 68 19377 1 . ILE 69 69 19377 1 . GLN 70 70 19377 1 . PHE 71 71 19377 1 . TYR 72 72 19377 1 . LEU 73 73 19377 1 . VAL 74 74 19377 1 . GLU 75 75 19377 1 . VAL 76 76 19377 1 . MET 77 77 19377 1 . PRO 78 78 19377 1 . GLN 79 79 19377 1 . ALA 80 80 19377 1 . GLU 81 81 19377 1 . LYS 82 82 19377 1 . HIS 83 83 19377 1 . GLY 84 84 19377 1 . PRO 85 85 19377 1 . GLU 86 86 19377 1 . ILE 87 87 19377 1 . LYS 88 88 19377 1 . GLU 89 89 19377 1 . HIS 90 90 19377 1 . LEU 91 91 19377 1 . ASN 92 92 19377 1 . SER 93 93 19377 1 . LEU 94 94 19377 1 . GLY 95 95 19377 1 . GLU 96 96 19377 1 . LYS 97 97 19377 1 . LEU 98 98 19377 1 . LYS 99 99 19377 1 . THR 100 100 19377 1 . LEU 101 101 19377 1 . ARG 102 102 19377 1 . MET 103 103 19377 1 . ARG 104 104 19377 1 . LEU 105 105 19377 1 . ARG 106 106 19377 1 . ARG 107 107 19377 1 . CYS 108 108 19377 1 . HIS 109 109 19377 1 . ARG 110 110 19377 1 . PHE 111 111 19377 1 . LEU 112 112 19377 1 . PRO 113 113 19377 1 . CYS 114 114 19377 1 . GLU 115 115 19377 1 . ASN 116 116 19377 1 . LYS 117 117 19377 1 . SER 118 118 19377 1 . LYS 119 119 19377 1 . ALA 120 120 19377 1 . VAL 121 121 19377 1 . GLU 122 122 19377 1 . GLN 123 123 19377 1 . VAL 124 124 19377 1 . LYS 125 125 19377 1 . SER 126 126 19377 1 . ASP 127 127 19377 1 . PHE 128 128 19377 1 . ASN 129 129 19377 1 . LYS 130 130 19377 1 . LEU 131 131 19377 1 . GLN 132 132 19377 1 . ASP 133 133 19377 1 . GLN 134 134 19377 1 . GLY 135 135 19377 1 . VAL 136 136 19377 1 . TYR 137 137 19377 1 . LYS 138 138 19377 1 . ALA 139 139 19377 1 . MET 140 140 19377 1 . ASN 141 141 19377 1 . GLU 142 142 19377 1 . PHE 143 143 19377 1 . ASP 144 144 19377 1 . ILE 145 145 19377 1 . PHE 146 146 19377 1 . ILE 147 147 19377 1 . ASN 148 148 19377 1 . TYR 149 149 19377 1 . ILE 150 150 19377 1 . GLU 151 151 19377 1 . ALA 152 152 19377 1 . TYR 153 153 19377 1 . MET 154 154 19377 1 . MET 155 155 19377 1 . ILE 156 156 19377 1 . LYS 157 157 19377 1 . MET 158 158 19377 1 . LYS 159 159 19377 1 . SER 160 160 19377 1 . LEU 161 161 19377 1 . GLU 162 162 19377 1 . HIS 163 163 19377 1 . HIS 164 164 19377 1 . HIS 165 165 19377 1 . HIS 166 166 19377 1 . HIS 167 167 19377 1 . HIS 168 168 19377 1 . HIS 169 169 19377 1 . HIS 170 170 19377 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19377 _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 $IL-10 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . IL10 . . . . 19377 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 19377 _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 $IL-10 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta(DE3) . . . . . . . . . . . . . . . pET41b(+) . . . . . . 19377 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19377 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Partially deuterated and uniformly 15N, 13C-labelled samples were produced by growing cells at 37 C in a minimal salt medium (75% D2O, 25% H2O) containing 9.29 g/L sodium sulphate, 29.2 g/L di-potassium hydrogenphosphate, 8.14 g/L sodium dihydrogenphosphate dihydrate, 1.2 g/L magnesium sulphate, 5 g/L [U-13C]glucose (Cambridge Isotope Laboratories), 1 g/L 15N ammonium chloride (Cambridge Isotope Laboratories), 4.92 g/L 15N ammonium sulphate (Cambridge Isotope Laboratories), 100 mg/mL thiamin, 100 mg/mL kanamycin, and 34 mg/mL chloramphenicol. Protein expression was induced with 1 mM isopropyl-beta-D-thiogalactopyranoside (IPTG) and was conducted for 4 hours. The cell pellet was resuspended in 50 mM Tris-HCl, pH 7.4, 100 mM NaCl, 1 mM EDTA, 0.1 mM PMSF and cells were lysed by using a french press and by adding 0.3 mg/mL lysozyme. Collected inclusion bodies were washed three times in 50 mM Tris-HCl, pH 7.4, 1 M NaCl, 5% (v/v) Triton X-100, 1 mM EDTA and were finally dissolved in 50 M Tris-HCl, pH 7.4, 100 mM NaCl, 6 M Guanidine hydrochloride, 200 mM dithiothreitol, 1 mM EDTA. Prior to refolding dithiothreitol was removed by dialysis against 100 mM Tris-HCl, pH 9.0, 100 mM NaCl, 6 M guanidine hydrochloride. Protein refolding was initiated by rapid dilution into 100 mM Tris-HCl, pH 9.0, 100 mM NaCl, 1 M L-arginine, 5 mM reduced glutathione, 1 mM oxidized glutathione until a final protein concentration of 0.1 mg/mL was reached. The refolding was allowed to proceed for two further days. IL-10 was purified using a Ni-NTA agarose column (Machery-Nagel) equilibrated in 20 mM sodium phosphate, pH 7.4, 50 mM NaCl and was eluted using the same buffer containing 600 mM imidazole. The native IL-10 dimer was separated from the monomer and higher molecular aggregates, which form during protein refolding, using a S-200 HR (GE Healthcare) preparative gelfiltration column equilibrated in 20 mM sodium phosphate, pH 7.4, 50 mM NaCl. NMR samples used for assignment contained between 1-2 mM IL-10 in 20 mM potassium phosphate, pH 6.2, 50 mM NaCl (95% H2O, 5% D2O). ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 IL-10 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $IL-10 . . . 1 2 mM . . . . 19377 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19377 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19377 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19377 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 19377 1 pH 6.2 . pH 19377 1 pressure 1 . atm 19377 1 temperature 303 . K 19377 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19377 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19377 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19377 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19377 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19377 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19377 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19377 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19377 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19377 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19377 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19377 1 2 spectrometer_2 Bruker Avance . 700 . . . 19377 1 3 spectrometer_3 Bruker Avance . 800 . . . 19377 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 19377 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19377 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19377 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19377 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19377 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19377 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19377 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19377 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19377 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19377 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19377 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19377 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19377 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19377 1 2 '3D HNCO' . . . 19377 1 3 '3D HNCA' . . . 19377 1 4 '3D HNCACB' . . . 19377 1 7 '3D HBHA(CO)NH' . . . 19377 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG HA H 1 4.16 0.10 . 1 . . . . 2 ARG HA . 19377 1 2 . 1 1 2 2 ARG HB2 H 1 1.79 0.10 . 2 . . . . 2 ARG HB2 . 19377 1 3 . 1 1 2 2 ARG C C 13 176.24 0.20 . 1 . . . . 2 ARG C . 19377 1 4 . 1 1 2 2 ARG CA C 13 57.00 0.25 . 1 . . . . 2 ARG CA . 19377 1 5 . 1 1 2 2 ARG CB C 13 30.53 0.50 . 1 . . . . 2 ARG CB . 19377 1 6 . 1 1 3 3 GLY H H 1 8.50 0.01 . 1 . . . . 3 GLY H . 19377 1 7 . 1 1 3 3 GLY HA2 H 1 4.38 0.10 . 2 . . . . 3 GLY HA . 19377 1 8 . 1 1 3 3 GLY HA3 H 1 4.38 0.10 . 2 . . . . 3 GLY HA . 19377 1 9 . 1 1 3 3 GLY C C 13 173.51 0.20 . 1 . . . . 3 GLY C . 19377 1 10 . 1 1 3 3 GLY CA C 13 45.53 0.25 . 1 . . . . 3 GLY CA . 19377 1 11 . 1 1 3 3 GLY N N 15 111.49 0.10 . 1 . . . . 3 GLY N . 19377 1 12 . 1 1 4 4 GLN H H 1 8.15 0.01 . 1 . . . . 4 GLN H . 19377 1 13 . 1 1 4 4 GLN HA H 1 4.21 0.10 . 1 . . . . 4 GLN HA . 19377 1 14 . 1 1 4 4 GLN HB2 H 1 1.86 0.10 . 2 . . . . 4 GLN HB2 . 19377 1 15 . 1 1 4 4 GLN C C 13 175.25 0.20 . 1 . . . . 4 GLN C . 19377 1 16 . 1 1 4 4 GLN CA C 13 56.19 0.25 . 1 . . . . 4 GLN CA . 19377 1 17 . 1 1 4 4 GLN CB C 13 29.68 0.50 . 1 . . . . 4 GLN CB . 19377 1 18 . 1 1 4 4 GLN N N 15 121.15 0.10 . 1 . . . . 4 GLN N . 19377 1 19 . 1 1 5 5 TYR H H 1 8.22 0.01 . 1 . . . . 5 TYR H . 19377 1 20 . 1 1 5 5 TYR HA H 1 4.60 0.10 . 1 . . . . 5 TYR HA . 19377 1 21 . 1 1 5 5 TYR HB2 H 1 3.06 0.10 . 2 . . . . 5 TYR HB2 . 19377 1 22 . 1 1 5 5 TYR HB3 H 1 2.90 0.10 . 2 . . . . 5 TYR HB3 . 19377 1 23 . 1 1 5 5 TYR C C 13 175.26 0.20 . 1 . . . . 5 TYR C . 19377 1 24 . 1 1 5 5 TYR CA C 13 57.95 0.25 . 1 . . . . 5 TYR CA . 19377 1 25 . 1 1 5 5 TYR CB C 13 41.40 0.50 . 1 . . . . 5 TYR CB . 19377 1 26 . 1 1 5 5 TYR N N 15 122.07 0.10 . 1 . . . . 5 TYR N . 19377 1 27 . 1 1 6 6 SER H H 1 8.24 0.01 . 1 . . . . 6 SER H . 19377 1 28 . 1 1 6 6 SER HA H 1 4.43 0.10 . 1 . . . . 6 SER HA . 19377 1 29 . 1 1 6 6 SER HB2 H 1 3.83 0.10 . 2 . . . . 6 SER HB2 . 19377 1 30 . 1 1 6 6 SER C C 13 173.94 0.20 . 1 . . . . 6 SER C . 19377 1 31 . 1 1 6 6 SER CA C 13 58.42 0.25 . 1 . . . . 6 SER CA . 19377 1 32 . 1 1 6 6 SER CB C 13 64.25 0.50 . 1 . . . . 6 SER CB . 19377 1 33 . 1 1 6 6 SER N N 15 118.93 0.10 . 1 . . . . 6 SER N . 19377 1 34 . 1 1 7 7 ARG H H 1 8.38 0.01 . 1 . . . . 7 ARG H . 19377 1 35 . 1 1 7 7 ARG HA H 1 4.27 0.10 . 1 . . . . 7 ARG HA . 19377 1 36 . 1 1 7 7 ARG HB2 H 1 1.78 0.10 . 2 . . . . 7 ARG HB2 . 19377 1 37 . 1 1 7 7 ARG C C 13 176.02 0.20 . 1 . . . . 7 ARG C . 19377 1 38 . 1 1 7 7 ARG CA C 13 56.78 0.25 . 1 . . . . 7 ARG CA . 19377 1 39 . 1 1 7 7 ARG CB C 13 30.46 0.50 . 1 . . . . 7 ARG CB . 19377 1 40 . 1 1 7 7 ARG N N 15 124.43 0.10 . 1 . . . . 7 ARG N . 19377 1 41 . 1 1 8 8 GLU H H 1 8.41 0.01 . 1 . . . . 8 GLU H . 19377 1 42 . 1 1 8 8 GLU HA H 1 4.22 0.10 . 1 . . . . 8 GLU HA . 19377 1 43 . 1 1 8 8 GLU HB2 H 1 2.00 0.10 . 2 . . . . 8 GLU HB2 . 19377 1 44 . 1 1 8 8 GLU HB3 H 1 1.86 0.10 . 2 . . . . 8 GLU HB3 . 19377 1 45 . 1 1 8 8 GLU C C 13 175.81 0.20 . 1 . . . . 8 GLU C . 19377 1 46 . 1 1 8 8 GLU CA C 13 57.00 0.25 . 1 . . . . 8 GLU CA . 19377 1 47 . 1 1 8 8 GLU CB C 13 30.11 0.50 . 1 . . . . 8 GLU CB . 19377 1 48 . 1 1 8 8 GLU N N 15 122.41 0.10 . 1 . . . . 8 GLU N . 19377 1 49 . 1 1 9 9 ASP H H 1 8.30 0.01 . 1 . . . . 9 ASP H . 19377 1 50 . 1 1 9 9 ASP HA H 1 4.54 0.10 . 1 . . . . 9 ASP HA . 19377 1 51 . 1 1 9 9 ASP HB2 H 1 2.68 0.10 . 2 . . . . 9 ASP HB2 . 19377 1 52 . 1 1 9 9 ASP C C 13 176.02 0.20 . 1 . . . . 9 ASP C . 19377 1 53 . 1 1 9 9 ASP CA C 13 54.67 0.25 . 1 . . . . 9 ASP CA . 19377 1 54 . 1 1 9 9 ASP CB C 13 41.40 0.50 . 1 . . . . 9 ASP CB . 19377 1 55 . 1 1 9 9 ASP N N 15 122.41 0.10 . 1 . . . . 9 ASP N . 19377 1 56 . 1 1 10 10 ASN H H 1 8.39 0.01 . 1 . . . . 10 ASN H . 19377 1 57 . 1 1 10 10 ASN HA H 1 4.54 0.10 . 1 . . . . 10 ASN HA . 19377 1 58 . 1 1 10 10 ASN HB2 H 1 2.74 0.10 . 2 . . . . 10 ASN HB2 . 19377 1 59 . 1 1 10 10 ASN C C 13 175.09 0.20 . 1 . . . . 10 ASN C . 19377 1 60 . 1 1 10 10 ASN CA C 13 54.43 0.25 . 1 . . . . 10 ASN CA . 19377 1 61 . 1 1 10 10 ASN CB C 13 39.05 0.50 . 1 . . . . 10 ASN CB . 19377 1 62 . 1 1 10 10 ASN N N 15 121.04 0.10 . 1 . . . . 10 ASN N . 19377 1 63 . 1 1 11 11 ASN H H 1 8.48 0.01 . 1 . . . . 11 ASN H . 19377 1 64 . 1 1 11 11 ASN HB2 H 1 2.89 0.10 . 2 . . . . 11 ASN HB2 . 19377 1 65 . 1 1 11 11 ASN HB3 H 1 2.79 0.10 . 2 . . . . 11 ASN HB3 . 19377 1 66 . 1 1 11 11 ASN C C 13 175.19 0.20 . 1 . . . . 11 ASN C . 19377 1 67 . 1 1 11 11 ASN CA C 13 54.43 0.25 . 1 . . . . 11 ASN CA . 19377 1 68 . 1 1 11 11 ASN CB C 13 39.04 0.50 . 1 . . . . 11 ASN CB . 19377 1 69 . 1 1 11 11 ASN N N 15 119.40 0.10 . 1 . . . . 11 ASN N . 19377 1 70 . 1 1 16 16 PRO C C 13 176.46 0.20 . 1 . . . . 16 PRO C . 19377 1 71 . 1 1 16 16 PRO CA C 13 63.59 0.25 . 1 . . . . 16 PRO CA . 19377 1 72 . 1 1 16 16 PRO CB C 13 31.89 0.50 . 1 . . . . 16 PRO CB . 19377 1 73 . 1 1 17 17 VAL H H 1 8.08 0.01 . 1 . . . . 17 VAL H . 19377 1 74 . 1 1 17 17 VAL C C 13 176.68 0.20 . 1 . . . . 17 VAL C . 19377 1 75 . 1 1 17 17 VAL CA C 13 63.58 0.25 . 1 . . . . 17 VAL CA . 19377 1 76 . 1 1 17 17 VAL CB C 13 32.05 0.50 . 1 . . . . 17 VAL CB . 19377 1 77 . 1 1 17 17 VAL N N 15 120.37 0.10 . 1 . . . . 17 VAL N . 19377 1 78 . 1 1 18 18 GLY H H 1 8.47 0.01 . 1 . . . . 18 GLY H . 19377 1 79 . 1 1 18 18 GLY C C 13 174.16 0.20 . 1 . . . . 18 GLY C . 19377 1 80 . 1 1 18 18 GLY CA C 13 45.76 0.25 . 1 . . . . 18 GLY CA . 19377 1 81 . 1 1 18 18 GLY N N 15 112.63 0.10 . 1 . . . . 18 GLY N . 19377 1 82 . 1 1 19 19 GLN H H 1 8.12 0.01 . 1 . . . . 19 GLN H . 19377 1 83 . 1 1 19 19 GLN C C 13 175.81 0.20 . 1 . . . . 19 GLN C . 19377 1 84 . 1 1 19 19 GLN CA C 13 56.54 0.25 . 1 . . . . 19 GLN CA . 19377 1 85 . 1 1 19 19 GLN CB C 13 29.22 0.50 . 1 . . . . 19 GLN CB . 19377 1 86 . 1 1 19 19 GLN N N 15 120.60 0.10 . 1 . . . . 19 GLN N . 19377 1 87 . 1 1 20 20 SER H H 1 8.33 0.01 . 1 . . . . 20 SER H . 19377 1 88 . 1 1 20 20 SER CA C 13 59.60 0.25 . 1 . . . . 20 SER CA . 19377 1 89 . 1 1 20 20 SER CB C 13 63.79 0.50 . 1 . . . . 20 SER CB . 19377 1 90 . 1 1 20 20 SER N N 15 116.52 0.10 . 1 . . . . 20 SER N . 19377 1 91 . 1 1 21 21 HIS H H 1 8.04 0.01 . 1 . . . . 21 HIS H . 19377 1 92 . 1 1 21 21 HIS C C 13 175.36 0.20 . 1 . . . . 21 HIS C . 19377 1 93 . 1 1 21 21 HIS CA C 13 54.67 0.25 . 1 . . . . 21 HIS CA . 19377 1 94 . 1 1 21 21 HIS N N 15 124.42 0.10 . 1 . . . . 21 HIS N . 19377 1 95 . 1 1 22 22 MET H H 1 8.28 0.01 . 1 . . . . 22 MET H . 19377 1 96 . 1 1 22 22 MET C C 13 173.62 0.20 . 1 . . . . 22 MET C . 19377 1 97 . 1 1 22 22 MET CA C 13 53.72 0.25 . 1 . . . . 22 MET CA . 19377 1 98 . 1 1 22 22 MET N N 15 120.14 0.10 . 1 . . . . 22 MET N . 19377 1 99 . 1 1 23 23 LEU H H 1 8.25 0.01 . 1 . . . . 23 LEU H . 19377 1 100 . 1 1 23 23 LEU C C 13 177.00 0.20 . 1 . . . . 23 LEU C . 19377 1 101 . 1 1 23 23 LEU CA C 13 55.37 0.25 . 1 . . . . 23 LEU CA . 19377 1 102 . 1 1 23 23 LEU CB C 13 41.06 0.50 . 1 . . . . 23 LEU CB . 19377 1 103 . 1 1 23 23 LEU N N 15 124.92 0.10 . 1 . . . . 23 LEU N . 19377 1 104 . 1 1 24 24 LEU H H 1 7.50 0.01 . 1 . . . . 24 LEU H . 19377 1 105 . 1 1 24 24 LEU C C 13 179.30 0.20 . 1 . . . . 24 LEU C . 19377 1 106 . 1 1 24 24 LEU CA C 13 58.89 0.25 . 1 . . . . 24 LEU CA . 19377 1 107 . 1 1 24 24 LEU CB C 13 41.40 0.50 . 1 . . . . 24 LEU CB . 19377 1 108 . 1 1 24 24 LEU N N 15 122.82 0.10 . 1 . . . . 24 LEU N . 19377 1 109 . 1 1 25 25 GLU H H 1 8.62 0.01 . 1 . . . . 25 GLU H . 19377 1 110 . 1 1 25 25 GLU C C 13 179.42 0.20 . 1 . . . . 25 GLU C . 19377 1 111 . 1 1 25 25 GLU CA C 13 60.18 0.25 . 1 . . . . 25 GLU CA . 19377 1 112 . 1 1 25 25 GLU CB C 13 29.22 0.50 . 1 . . . . 25 GLU CB . 19377 1 113 . 1 1 25 25 GLU N N 15 120.39 0.10 . 1 . . . . 25 GLU N . 19377 1 114 . 1 1 26 26 LEU H H 1 8.11 0.01 . 1 . . . . 26 LEU H . 19377 1 115 . 1 1 26 26 LEU C C 13 179.42 0.20 . 1 . . . . 26 LEU C . 19377 1 116 . 1 1 26 26 LEU CA C 13 58.65 0.25 . 1 . . . . 26 LEU CA . 19377 1 117 . 1 1 26 26 LEU CB C 13 42.49 0.50 . 1 . . . . 26 LEU CB . 19377 1 118 . 1 1 26 26 LEU N N 15 122.88 0.10 . 1 . . . . 26 LEU N . 19377 1 119 . 1 1 27 27 ARG H H 1 8.39 0.01 . 1 . . . . 27 ARG H . 19377 1 120 . 1 1 27 27 ARG C C 13 179.84 0.20 . 1 . . . . 27 ARG C . 19377 1 121 . 1 1 27 27 ARG CA C 13 61.23 0.25 . 1 . . . . 27 ARG CA . 19377 1 122 . 1 1 27 27 ARG CB C 13 30.14 0.50 . 1 . . . . 27 ARG CB . 19377 1 123 . 1 1 27 27 ARG N N 15 119.30 0.10 . 1 . . . . 27 ARG N . 19377 1 124 . 1 1 28 28 THR H H 1 8.91 0.01 . 1 . . . . 28 THR H . 19377 1 125 . 1 1 28 28 THR C C 13 176.79 0.20 . 1 . . . . 28 THR C . 19377 1 126 . 1 1 28 28 THR CA C 13 66.86 0.25 . 1 . . . . 28 THR CA . 19377 1 127 . 1 1 28 28 THR CB C 13 68.59 0.50 . 1 . . . . 28 THR CB . 19377 1 128 . 1 1 28 28 THR N N 15 119.13 0.10 . 1 . . . . 28 THR N . 19377 1 129 . 1 1 29 29 ALA H H 1 8.12 0.01 . 1 . . . . 29 ALA H . 19377 1 130 . 1 1 29 29 ALA C C 13 180.51 0.20 . 1 . . . . 29 ALA C . 19377 1 131 . 1 1 29 29 ALA CA C 13 55.14 0.25 . 1 . . . . 29 ALA CA . 19377 1 132 . 1 1 29 29 ALA CB C 13 18.43 0.50 . 1 . . . . 29 ALA CB . 19377 1 133 . 1 1 29 29 ALA N N 15 125.79 0.10 . 1 . . . . 29 ALA N . 19377 1 134 . 1 1 30 30 PHE H H 1 8.70 0.01 . 1 . . . . 30 PHE H . 19377 1 135 . 1 1 30 30 PHE C C 13 176.88 0.20 . 1 . . . . 30 PHE C . 19377 1 136 . 1 1 30 30 PHE CA C 13 60.76 0.25 . 1 . . . . 30 PHE CA . 19377 1 137 . 1 1 30 30 PHE CB C 13 38.59 0.50 . 1 . . . . 30 PHE CB . 19377 1 138 . 1 1 30 30 PHE N N 15 119.95 0.10 . 1 . . . . 30 PHE N . 19377 1 139 . 1 1 31 31 SER H H 1 8.25 0.01 . 1 . . . . 31 SER H . 19377 1 140 . 1 1 31 31 SER HB2 H 1 4.05 0.10 . 2 . . . . 31 SER HB2 . 19377 1 141 . 1 1 31 31 SER C C 13 175.04 0.20 . 1 . . . . 31 SER C . 19377 1 142 . 1 1 31 31 SER CA C 13 62.17 0.25 . 1 . . . . 31 SER CA . 19377 1 143 . 1 1 31 31 SER CB C 13 62.97 0.50 . 1 . . . . 31 SER CB . 19377 1 144 . 1 1 31 31 SER N N 15 116.71 0.10 . 1 . . . . 31 SER N . 19377 1 145 . 1 1 32 32 GLN H H 1 7.03 0.01 . 1 . . . . 32 GLN H . 19377 1 146 . 1 1 32 32 GLN C C 13 176.46 0.20 . 1 . . . . 32 GLN C . 19377 1 147 . 1 1 32 32 GLN CA C 13 57.25 0.25 . 1 . . . . 32 GLN CA . 19377 1 148 . 1 1 32 32 GLN CB C 13 28.74 0.50 . 1 . . . . 32 GLN CB . 19377 1 149 . 1 1 32 32 GLN N N 15 117.44 0.10 . 1 . . . . 32 GLN N . 19377 1 150 . 1 1 33 33 VAL H H 1 7.52 0.01 . 1 . . . . 33 VAL H . 19377 1 151 . 1 1 33 33 VAL C C 13 174.93 0.20 . 1 . . . . 33 VAL C . 19377 1 152 . 1 1 33 33 VAL CA C 13 60.76 0.25 . 1 . . . . 33 VAL CA . 19377 1 153 . 1 1 33 33 VAL CB C 13 32.94 0.50 . 1 . . . . 33 VAL CB . 19377 1 154 . 1 1 33 33 VAL N N 15 109.80 0.10 . 1 . . . . 33 VAL N . 19377 1 155 . 1 1 34 34 LYS H H 1 6.97 0.01 . 1 . . . . 34 LYS H . 19377 1 156 . 1 1 34 34 LYS C C 13 177.11 0.20 . 1 . . . . 34 LYS C . 19377 1 157 . 1 1 34 34 LYS CA C 13 59.82 0.25 . 1 . . . . 34 LYS CA . 19377 1 158 . 1 1 34 34 LYS CB C 13 32.02 0.50 . 1 . . . . 34 LYS CB . 19377 1 159 . 1 1 34 34 LYS N N 15 124.15 0.10 . 1 . . . . 34 LYS N . 19377 1 160 . 1 1 35 35 THR H H 1 8.42 0.01 . 1 . . . . 35 THR H . 19377 1 161 . 1 1 35 35 THR C C 13 175.68 0.20 . 1 . . . . 35 THR C . 19377 1 162 . 1 1 35 35 THR CA C 13 66.62 0.25 . 1 . . . . 35 THR CA . 19377 1 163 . 1 1 35 35 THR CB C 13 68.12 0.50 . 1 . . . . 35 THR CB . 19377 1 164 . 1 1 35 35 THR N N 15 113.24 0.10 . 1 . . . . 35 THR N . 19377 1 165 . 1 1 36 36 PHE H H 1 7.76 0.01 . 1 . . . . 36 PHE H . 19377 1 166 . 1 1 36 36 PHE C C 13 176.68 0.20 . 1 . . . . 36 PHE C . 19377 1 167 . 1 1 36 36 PHE CA C 13 61.70 0.25 . 1 . . . . 36 PHE CA . 19377 1 168 . 1 1 36 36 PHE CB C 13 38.60 0.50 . 1 . . . . 36 PHE CB . 19377 1 169 . 1 1 36 36 PHE N N 15 123.72 0.10 . 1 . . . . 36 PHE N . 19377 1 170 . 1 1 37 37 PHE H H 1 7.44 0.01 . 1 . . . . 37 PHE H . 19377 1 171 . 1 1 37 37 PHE C C 13 176.24 0.20 . 1 . . . . 37 PHE C . 19377 1 172 . 1 1 37 37 PHE CA C 13 62.87 0.25 . 1 . . . . 37 PHE CA . 19377 1 173 . 1 1 37 37 PHE CB C 13 38.59 0.50 . 1 . . . . 37 PHE CB . 19377 1 174 . 1 1 37 37 PHE N N 15 115.33 0.10 . 1 . . . . 37 PHE N . 19377 1 175 . 1 1 38 38 GLN H H 1 9.06 0.01 . 1 . . . . 38 GLN H . 19377 1 176 . 1 1 38 38 GLN C C 13 178.11 0.20 . 1 . . . . 38 GLN C . 19377 1 177 . 1 1 38 38 GLN CA C 13 59.36 0.25 . 1 . . . . 38 GLN CA . 19377 1 178 . 1 1 38 38 GLN CB C 13 29.21 0.50 . 1 . . . . 38 GLN CB . 19377 1 179 . 1 1 38 38 GLN N N 15 123.24 0.10 . 1 . . . . 38 GLN N . 19377 1 180 . 1 1 39 39 THR H H 1 7.62 0.01 . 1 . . . . 39 THR H . 19377 1 181 . 1 1 39 39 THR C C 13 175.15 0.20 . 1 . . . . 39 THR C . 19377 1 182 . 1 1 39 39 THR CA C 13 64.75 0.25 . 1 . . . . 39 THR CA . 19377 1 183 . 1 1 39 39 THR CB C 13 69.06 0.50 . 1 . . . . 39 THR CB . 19377 1 184 . 1 1 39 39 THR N N 15 110.91 0.10 . 1 . . . . 39 THR N . 19377 1 185 . 1 1 40 40 LYS H H 1 6.86 0.01 . 1 . . . . 40 LYS H . 19377 1 186 . 1 1 40 40 LYS C C 13 175.48 0.20 . 1 . . . . 40 LYS C . 19377 1 187 . 1 1 40 40 LYS CA C 13 56.31 0.25 . 1 . . . . 40 LYS CA . 19377 1 188 . 1 1 40 40 LYS CB C 13 32.96 0.50 . 1 . . . . 40 LYS CB . 19377 1 189 . 1 1 40 40 LYS N N 15 119.57 0.10 . 1 . . . . 40 LYS N . 19377 1 190 . 1 1 41 41 ASP H H 1 7.50 0.01 . 1 . . . . 41 ASP H . 19377 1 191 . 1 1 41 41 ASP C C 13 174.93 0.20 . 1 . . . . 41 ASP C . 19377 1 192 . 1 1 41 41 ASP CA C 13 53.73 0.25 . 1 . . . . 41 ASP CA . 19377 1 193 . 1 1 41 41 ASP CB C 13 39.61 0.50 . 1 . . . . 41 ASP CB . 19377 1 194 . 1 1 41 41 ASP N N 15 119.68 0.10 . 1 . . . . 41 ASP N . 19377 1 195 . 1 1 42 42 GLN H H 1 8.34 0.01 . 1 . . . . 42 GLN H . 19377 1 196 . 1 1 42 42 GLN C C 13 175.91 0.20 . 1 . . . . 42 GLN C . 19377 1 197 . 1 1 42 42 GLN CA C 13 56.07 0.25 . 1 . . . . 42 GLN CA . 19377 1 198 . 1 1 42 42 GLN CB C 13 29.68 0.50 . 1 . . . . 42 GLN CB . 19377 1 199 . 1 1 42 42 GLN N N 15 124.89 0.10 . 1 . . . . 42 GLN N . 19377 1 200 . 1 1 43 43 LEU H H 1 8.08 0.01 . 1 . . . . 43 LEU H . 19377 1 201 . 1 1 43 43 LEU C C 13 178.05 0.20 . 1 . . . . 43 LEU C . 19377 1 202 . 1 1 43 43 LEU CA C 13 54.66 0.25 . 1 . . . . 43 LEU CA . 19377 1 203 . 1 1 43 43 LEU CB C 13 43.03 0.50 . 1 . . . . 43 LEU CB . 19377 1 204 . 1 1 43 43 LEU N N 15 122.00 0.10 . 1 . . . . 43 LEU N . 19377 1 205 . 1 1 44 44 ASP H H 1 8.80 0.01 . 1 . . . . 44 ASP H . 19377 1 206 . 1 1 44 44 ASP HB2 H 1 2.65 0.10 . 2 . . . . 44 ASP HB2 . 19377 1 207 . 1 1 44 44 ASP C C 13 175.48 0.20 . 1 . . . . 44 ASP C . 19377 1 208 . 1 1 44 44 ASP CA C 13 54.91 0.25 . 1 . . . . 44 ASP CA . 19377 1 209 . 1 1 44 44 ASP CB C 13 40.68 0.50 . 1 . . . . 44 ASP CB . 19377 1 210 . 1 1 44 44 ASP N N 15 124.49 0.10 . 1 . . . . 44 ASP N . 19377 1 211 . 1 1 45 45 ASN H H 1 8.03 0.01 . 1 . . . . 45 ASN H . 19377 1 212 . 1 1 45 45 ASN HB2 H 1 2.63 0.10 . 2 . . . . 45 ASN HB2 . 19377 1 213 . 1 1 45 45 ASN C C 13 172.53 0.20 . 1 . . . . 45 ASN C . 19377 1 214 . 1 1 45 45 ASN CA C 13 53.97 0.25 . 1 . . . . 45 ASN CA . 19377 1 215 . 1 1 45 45 ASN CB C 13 39.06 0.50 . 1 . . . . 45 ASN CB . 19377 1 216 . 1 1 45 45 ASN N N 15 117.39 0.10 . 1 . . . . 45 ASN N . 19377 1 217 . 1 1 46 46 ILE H H 1 7.96 0.01 . 1 . . . . 46 ILE H . 19377 1 218 . 1 1 46 46 ILE HB H 1 1.75 0.10 . 1 . . . . 46 ILE HB . 19377 1 219 . 1 1 46 46 ILE C C 13 175.59 0.20 . 1 . . . . 46 ILE C . 19377 1 220 . 1 1 46 46 ILE CA C 13 59.38 0.25 . 1 . . . . 46 ILE CA . 19377 1 221 . 1 1 46 46 ILE CB C 13 39.06 0.50 . 1 . . . . 46 ILE CB . 19377 1 222 . 1 1 46 46 ILE N N 15 120.50 0.10 . 1 . . . . 46 ILE N . 19377 1 223 . 1 1 48 48 LEU H H 1 8.53 0.01 . 1 . . . . 48 LEU H . 19377 1 224 . 1 1 48 48 LEU C C 13 174.93 0.20 . 1 . . . . 48 LEU C . 19377 1 225 . 1 1 48 48 LEU CA C 13 54.42 0.25 . 1 . . . . 48 LEU CA . 19377 1 226 . 1 1 48 48 LEU CB C 13 39.78 0.50 . 1 . . . . 48 LEU CB . 19377 1 227 . 1 1 48 48 LEU N N 15 125.85 0.10 . 1 . . . . 48 LEU N . 19377 1 228 . 1 1 49 49 THR H H 1 7.57 0.01 . 1 . . . . 49 THR H . 19377 1 229 . 1 1 49 49 THR C C 13 175.26 0.20 . 1 . . . . 49 THR C . 19377 1 230 . 1 1 49 49 THR CA C 13 60.99 0.25 . 1 . . . . 49 THR CA . 19377 1 231 . 1 1 49 49 THR CB C 13 72.35 0.50 . 1 . . . . 49 THR CB . 19377 1 232 . 1 1 49 49 THR N N 15 113.46 0.10 . 1 . . . . 49 THR N . 19377 1 233 . 1 1 50 50 ASP H H 1 8.77 0.01 . 1 . . . . 50 ASP H . 19377 1 234 . 1 1 50 50 ASP HB2 H 1 2.63 0.10 . 2 . . . . 50 ASP HB2 . 19377 1 235 . 1 1 50 50 ASP HB3 H 1 2.57 0.10 . 2 . . . . 50 ASP HB3 . 19377 1 236 . 1 1 50 50 ASP C C 13 177.33 0.20 . 1 . . . . 50 ASP C . 19377 1 237 . 1 1 50 50 ASP CA C 13 57.02 0.25 . 1 . . . . 50 ASP CA . 19377 1 238 . 1 1 50 50 ASP CB C 13 41.07 0.50 . 1 . . . . 50 ASP CB . 19377 1 239 . 1 1 50 50 ASP N N 15 120.11 0.10 . 1 . . . . 50 ASP N . 19377 1 240 . 1 1 51 51 SER H H 1 7.97 0.01 . 1 . . . . 51 SER H . 19377 1 241 . 1 1 51 51 SER HB2 H 1 3.72 0.10 . 2 . . . . 51 SER HB2 . 19377 1 242 . 1 1 51 51 SER C C 13 176.02 0.20 . 1 . . . . 51 SER C . 19377 1 243 . 1 1 51 51 SER CA C 13 61.93 0.25 . 1 . . . . 51 SER CA . 19377 1 244 . 1 1 51 51 SER CB C 13 62.78 0.50 . 1 . . . . 51 SER CB . 19377 1 245 . 1 1 51 51 SER N N 15 115.88 0.10 . 1 . . . . 51 SER N . 19377 1 246 . 1 1 52 52 LEU H H 1 7.58 0.01 . 1 . . . . 52 LEU H . 19377 1 247 . 1 1 52 52 LEU C C 13 176.57 0.20 . 1 . . . . 52 LEU C . 19377 1 248 . 1 1 52 52 LEU CA C 13 57.71 0.25 . 1 . . . . 52 LEU CA . 19377 1 249 . 1 1 52 52 LEU CB C 13 41.39 0.50 . 1 . . . . 52 LEU CB . 19377 1 250 . 1 1 52 52 LEU N N 15 123.29 0.10 . 1 . . . . 52 LEU N . 19377 1 251 . 1 1 53 53 MET H H 1 6.24 0.01 . 1 . . . . 53 MET H . 19377 1 252 . 1 1 53 53 MET C C 13 177.78 0.20 . 1 . . . . 53 MET C . 19377 1 253 . 1 1 53 53 MET CA C 13 56.78 0.25 . 1 . . . . 53 MET CA . 19377 1 254 . 1 1 53 53 MET CB C 13 30.62 0.50 . 1 . . . . 53 MET CB . 19377 1 255 . 1 1 53 53 MET N N 15 118.63 0.10 . 1 . . . . 53 MET N . 19377 1 256 . 1 1 54 54 GLN H H 1 8.09 0.01 . 1 . . . . 54 GLN H . 19377 1 257 . 1 1 54 54 GLN C C 13 179.19 0.20 . 1 . . . . 54 GLN C . 19377 1 258 . 1 1 54 54 GLN CA C 13 58.89 0.25 . 1 . . . . 54 GLN CA . 19377 1 259 . 1 1 54 54 GLN CB C 13 27.34 0.50 . 1 . . . . 54 GLN CB . 19377 1 260 . 1 1 54 54 GLN N N 15 117.81 0.10 . 1 . . . . 54 GLN N . 19377 1 261 . 1 1 55 55 ASP H H 1 7.52 0.01 . 1 . . . . 55 ASP H . 19377 1 262 . 1 1 55 55 ASP C C 13 179.52 0.20 . 1 . . . . 55 ASP C . 19377 1 263 . 1 1 55 55 ASP CA C 13 57.24 0.25 . 1 . . . . 55 ASP CA . 19377 1 264 . 1 1 55 55 ASP CB C 13 40.00 0.50 . 1 . . . . 55 ASP CB . 19377 1 265 . 1 1 55 55 ASP N N 15 122.13 0.10 . 1 . . . . 55 ASP N . 19377 1 266 . 1 1 56 56 PHE H H 1 8.31 0.01 . 1 . . . . 56 PHE H . 19377 1 267 . 1 1 56 56 PHE C C 13 176.46 0.20 . 1 . . . . 56 PHE C . 19377 1 268 . 1 1 56 56 PHE CA C 13 59.12 0.25 . 1 . . . . 56 PHE CA . 19377 1 269 . 1 1 56 56 PHE CB C 13 37.66 0.50 . 1 . . . . 56 PHE CB . 19377 1 270 . 1 1 56 56 PHE N N 15 121.12 0.10 . 1 . . . . 56 PHE N . 19377 1 271 . 1 1 57 57 LYS H H 1 7.59 0.01 . 1 . . . . 57 LYS H . 19377 1 272 . 1 1 57 57 LYS HB2 H 1 1.86 0.10 . 2 . . . . 57 LYS HB2 . 19377 1 273 . 1 1 57 57 LYS HB3 H 1 1.80 0.10 . 2 . . . . 57 LYS HB3 . 19377 1 274 . 1 1 57 57 LYS C C 13 176.57 0.20 . 1 . . . . 57 LYS C . 19377 1 275 . 1 1 57 57 LYS CA C 13 57.95 0.25 . 1 . . . . 57 LYS CA . 19377 1 276 . 1 1 57 57 LYS CB C 13 33.44 0.50 . 1 . . . . 57 LYS CB . 19377 1 277 . 1 1 57 57 LYS N N 15 115.89 0.10 . 1 . . . . 57 LYS N . 19377 1 278 . 1 1 58 58 GLY H H 1 7.23 0.01 . 1 . . . . 58 GLY H . 19377 1 279 . 1 1 58 58 GLY C C 13 176.55 0.20 . 1 . . . . 58 GLY C . 19377 1 280 . 1 1 58 58 GLY CA C 13 45.06 0.25 . 1 . . . . 58 GLY CA . 19377 1 281 . 1 1 58 58 GLY N N 15 107.86 0.10 . 1 . . . . 58 GLY N . 19377 1 282 . 1 1 59 59 TYR H H 1 8.55 0.01 . 1 . . . . 59 TYR H . 19377 1 283 . 1 1 59 59 TYR C C 13 176.57 0.20 . 1 . . . . 59 TYR C . 19377 1 284 . 1 1 59 59 TYR CA C 13 60.75 0.25 . 1 . . . . 59 TYR CA . 19377 1 285 . 1 1 59 59 TYR CB C 13 38.04 0.50 . 1 . . . . 59 TYR CB . 19377 1 286 . 1 1 59 59 TYR N N 15 120.95 0.10 . 1 . . . . 59 TYR N . 19377 1 287 . 1 1 60 60 LEU H H 1 8.73 0.01 . 1 . . . . 60 LEU H . 19377 1 288 . 1 1 60 60 LEU C C 13 177.11 0.20 . 1 . . . . 60 LEU C . 19377 1 289 . 1 1 60 60 LEU CA C 13 53.96 0.25 . 1 . . . . 60 LEU CA . 19377 1 290 . 1 1 60 60 LEU CB C 13 40.94 0.50 . 1 . . . . 60 LEU CB . 19377 1 291 . 1 1 60 60 LEU N N 15 122.84 0.10 . 1 . . . . 60 LEU N . 19377 1 292 . 1 1 61 61 GLY H H 1 7.91 0.01 . 1 . . . . 61 GLY H . 19377 1 293 . 1 1 61 61 GLY C C 13 174.15 0.20 . 1 . . . . 61 GLY C . 19377 1 294 . 1 1 61 61 GLY CA C 13 49.98 0.25 . 1 . . . . 61 GLY CA . 19377 1 295 . 1 1 61 61 GLY N N 15 109.03 0.10 . 1 . . . . 61 GLY N . 19377 1 296 . 1 1 62 62 CYS H H 1 8.71 0.01 . 1 . . . . 62 CYS H . 19377 1 297 . 1 1 62 62 CYS C C 13 175.06 0.20 . 1 . . . . 62 CYS C . 19377 1 298 . 1 1 62 62 CYS CA C 13 60.76 0.25 . 1 . . . . 62 CYS CA . 19377 1 299 . 1 1 62 62 CYS CB C 13 38.92 0.50 . 1 . . . . 62 CYS CB . 19377 1 300 . 1 1 62 62 CYS N N 15 119.75 0.10 . 1 . . . . 62 CYS N . 19377 1 301 . 1 1 63 63 GLN C C 13 178.21 0.20 . 1 . . . . 63 GLN C . 19377 1 302 . 1 1 63 63 GLN CA C 13 59.83 0.25 . 1 . . . . 63 GLN CA . 19377 1 303 . 1 1 63 63 GLN CB C 13 27.57 0.50 . 1 . . . . 63 GLN CB . 19377 1 304 . 1 1 64 64 ALA H H 1 8.54 0.01 . 1 . . . . 64 ALA H . 19377 1 305 . 1 1 64 64 ALA C C 13 178.10 0.20 . 1 . . . . 64 ALA C . 19377 1 306 . 1 1 64 64 ALA CA C 13 55.36 0.25 . 1 . . . . 64 ALA CA . 19377 1 307 . 1 1 64 64 ALA CB C 13 18.43 0.50 . 1 . . . . 64 ALA CB . 19377 1 308 . 1 1 64 64 ALA N N 15 123.76 0.10 . 1 . . . . 64 ALA N . 19377 1 309 . 1 1 65 65 LEU H H 1 8.21 0.01 . 1 . . . . 65 LEU H . 19377 1 310 . 1 1 65 65 LEU C C 13 177.88 0.20 . 1 . . . . 65 LEU C . 19377 1 311 . 1 1 65 65 LEU CA C 13 58.65 0.25 . 1 . . . . 65 LEU CA . 19377 1 312 . 1 1 65 65 LEU CB C 13 39.06 0.50 . 1 . . . . 65 LEU CB . 19377 1 313 . 1 1 65 65 LEU N N 15 120.84 0.10 . 1 . . . . 65 LEU N . 19377 1 314 . 1 1 66 66 SER H H 1 8.63 0.01 . 1 . . . . 66 SER H . 19377 1 315 . 1 1 66 66 SER C C 13 177.98 0.20 . 1 . . . . 66 SER C . 19377 1 316 . 1 1 66 66 SER CA C 13 61.70 0.25 . 1 . . . . 66 SER CA . 19377 1 317 . 1 1 66 66 SER CB C 13 63.59 0.50 . 1 . . . . 66 SER CB . 19377 1 318 . 1 1 66 66 SER N N 15 114.07 0.10 . 1 . . . . 66 SER N . 19377 1 319 . 1 1 67 67 GLU H H 1 8.45 0.01 . 1 . . . . 67 GLU H . 19377 1 320 . 1 1 67 67 GLU C C 13 179.96 0.20 . 1 . . . . 67 GLU C . 19377 1 321 . 1 1 67 67 GLU CA C 13 59.82 0.25 . 1 . . . . 67 GLU CA . 19377 1 322 . 1 1 67 67 GLU CB C 13 30.15 0.50 . 1 . . . . 67 GLU CB . 19377 1 323 . 1 1 67 67 GLU N N 15 118.63 0.10 . 1 . . . . 67 GLU N . 19377 1 324 . 1 1 68 68 MET H H 1 8.38 0.01 . 1 . . . . 68 MET H . 19377 1 325 . 1 1 68 68 MET C C 13 178.54 0.20 . 1 . . . . 68 MET C . 19377 1 326 . 1 1 68 68 MET CA C 13 55.84 0.25 . 1 . . . . 68 MET CA . 19377 1 327 . 1 1 68 68 MET CB C 13 30.16 0.50 . 1 . . . . 68 MET CB . 19377 1 328 . 1 1 68 68 MET N N 15 120.75 0.10 . 1 . . . . 68 MET N . 19377 1 329 . 1 1 69 69 ILE H H 1 8.90 0.01 . 1 . . . . 69 ILE H . 19377 1 330 . 1 1 69 69 ILE C C 13 177.00 0.20 . 1 . . . . 69 ILE C . 19377 1 331 . 1 1 69 69 ILE CA C 13 67.57 0.25 . 1 . . . . 69 ILE CA . 19377 1 332 . 1 1 69 69 ILE CB C 13 37.66 0.50 . 1 . . . . 69 ILE CB . 19377 1 333 . 1 1 69 69 ILE N N 15 122.41 0.10 . 1 . . . . 69 ILE N . 19377 1 334 . 1 1 70 70 GLN H H 1 7.82 0.01 . 1 . . . . 70 GLN H . 19377 1 335 . 1 1 70 70 GLN C C 13 176.46 0.20 . 1 . . . . 70 GLN C . 19377 1 336 . 1 1 70 70 GLN CA C 13 59.35 0.25 . 1 . . . . 70 GLN CA . 19377 1 337 . 1 1 70 70 GLN CB C 13 28.74 0.50 . 1 . . . . 70 GLN CB . 19377 1 338 . 1 1 70 70 GLN N N 15 119.36 0.10 . 1 . . . . 70 GLN N . 19377 1 339 . 1 1 71 71 PHE H H 1 8.41 0.01 . 1 . . . . 71 PHE H . 19377 1 340 . 1 1 71 71 PHE C C 13 177.88 0.20 . 1 . . . . 71 PHE C . 19377 1 341 . 1 1 71 71 PHE CA C 13 60.29 0.25 . 1 . . . . 71 PHE CA . 19377 1 342 . 1 1 71 71 PHE CB C 13 39.09 0.50 . 1 . . . . 71 PHE CB . 19377 1 343 . 1 1 71 71 PHE N N 15 121.17 0.10 . 1 . . . . 71 PHE N . 19377 1 344 . 1 1 72 72 TYR H H 1 8.11 0.01 . 1 . . . . 72 TYR H . 19377 1 345 . 1 1 72 72 TYR C C 13 177.44 0.20 . 1 . . . . 72 TYR C . 19377 1 346 . 1 1 72 72 TYR CA C 13 64.66 0.25 . 1 . . . . 72 TYR CA . 19377 1 347 . 1 1 72 72 TYR CB C 13 38.60 0.50 . 1 . . . . 72 TYR CB . 19377 1 348 . 1 1 72 72 TYR N N 15 119.70 0.10 . 1 . . . . 72 TYR N . 19377 1 349 . 1 1 73 73 LEU H H 1 8.27 0.01 . 1 . . . . 73 LEU H . 19377 1 350 . 1 1 73 73 LEU C C 13 177.98 0.20 . 1 . . . . 73 LEU C . 19377 1 351 . 1 1 73 73 LEU CA C 13 58.42 0.25 . 1 . . . . 73 LEU CA . 19377 1 352 . 1 1 73 73 LEU CB C 13 42.82 0.50 . 1 . . . . 73 LEU CB . 19377 1 353 . 1 1 73 73 LEU N N 15 117.64 0.10 . 1 . . . . 73 LEU N . 19377 1 354 . 1 1 74 74 VAL H H 1 8.78 0.01 . 1 . . . . 74 VAL H . 19377 1 355 . 1 1 74 74 VAL C C 13 175.90 0.20 . 1 . . . . 74 VAL C . 19377 1 356 . 1 1 74 74 VAL CA C 13 63.81 0.25 . 1 . . . . 74 VAL CA . 19377 1 357 . 1 1 74 74 VAL CB C 13 32.53 0.50 . 1 . . . . 74 VAL CB . 19377 1 358 . 1 1 74 74 VAL N N 15 114.70 0.10 . 1 . . . . 74 VAL N . 19377 1 359 . 1 1 75 75 GLU H H 1 7.58 0.01 . 1 . . . . 75 GLU H . 19377 1 360 . 1 1 75 75 GLU C C 13 176.66 0.20 . 1 . . . . 75 GLU C . 19377 1 361 . 1 1 75 75 GLU CA C 13 57.95 0.25 . 1 . . . . 75 GLU CA . 19377 1 362 . 1 1 75 75 GLU CB C 13 30.15 0.50 . 1 . . . . 75 GLU CB . 19377 1 363 . 1 1 75 75 GLU N N 15 118.47 0.10 . 1 . . . . 75 GLU N . 19377 1 364 . 1 1 76 76 VAL H H 1 7.15 0.01 . 1 . . . . 76 VAL H . 19377 1 365 . 1 1 76 76 VAL C C 13 177.45 0.20 . 1 . . . . 76 VAL C . 19377 1 366 . 1 1 76 76 VAL CA C 13 66.15 0.25 . 1 . . . . 76 VAL CA . 19377 1 367 . 1 1 76 76 VAL CB C 13 32.53 0.50 . 1 . . . . 76 VAL CB . 19377 1 368 . 1 1 76 76 VAL N N 15 117.44 0.10 . 1 . . . . 76 VAL N . 19377 1 369 . 1 1 77 77 MET H H 1 8.89 0.01 . 1 . . . . 77 MET H . 19377 1 370 . 1 1 77 77 MET C C 13 175.15 0.20 . 1 . . . . 77 MET C . 19377 1 371 . 1 1 77 77 MET CA C 13 61.94 0.25 . 1 . . . . 77 MET CA . 19377 1 372 . 1 1 77 77 MET CB C 13 29.69 0.50 . 1 . . . . 77 MET CB . 19377 1 373 . 1 1 77 77 MET N N 15 119.22 0.10 . 1 . . . . 77 MET N . 19377 1 374 . 1 1 78 78 PRO C C 13 179.74 0.20 . 1 . . . . 78 PRO C . 19377 1 375 . 1 1 78 78 PRO CA C 13 66.16 0.25 . 1 . . . . 78 PRO CA . 19377 1 376 . 1 1 79 79 GLN H H 1 6.79 0.01 . 1 . . . . 79 GLN H . 19377 1 377 . 1 1 79 79 GLN C C 13 178.00 0.20 . 1 . . . . 79 GLN C . 19377 1 378 . 1 1 79 79 GLN CA C 13 58.42 0.25 . 1 . . . . 79 GLN CA . 19377 1 379 . 1 1 79 79 GLN CB C 13 29.68 0.50 . 1 . . . . 79 GLN CB . 19377 1 380 . 1 1 79 79 GLN N N 15 114.68 0.10 . 1 . . . . 79 GLN N . 19377 1 381 . 1 1 80 80 ALA H H 1 8.60 0.01 . 1 . . . . 80 ALA H . 19377 1 382 . 1 1 80 80 ALA C C 13 178.42 0.20 . 1 . . . . 80 ALA C . 19377 1 383 . 1 1 80 80 ALA CA C 13 55.59 0.25 . 1 . . . . 80 ALA CA . 19377 1 384 . 1 1 80 80 ALA CB C 13 18.23 0.50 . 1 . . . . 80 ALA CB . 19377 1 385 . 1 1 80 80 ALA N N 15 125.10 0.10 . 1 . . . . 80 ALA N . 19377 1 386 . 1 1 81 81 GLU H H 1 8.06 0.01 . 1 . . . . 81 GLU H . 19377 1 387 . 1 1 81 81 GLU HB2 H 1 1.98 0.10 . 2 . . . . 81 GLU HB2 . 19377 1 388 . 1 1 81 81 GLU C C 13 177.78 0.20 . 1 . . . . 81 GLU C . 19377 1 389 . 1 1 81 81 GLU CA C 13 59.59 0.25 . 1 . . . . 81 GLU CA . 19377 1 390 . 1 1 81 81 GLU CB C 13 29.68 0.50 . 1 . . . . 81 GLU CB . 19377 1 391 . 1 1 81 81 GLU N N 15 117.10 0.10 . 1 . . . . 81 GLU N . 19377 1 392 . 1 1 82 82 LYS H H 1 7.19 0.01 . 1 . . . . 82 LYS H . 19377 1 393 . 1 1 82 82 LYS HB2 H 1 1.79 0.10 . 2 . . . . 82 LYS HB2 . 19377 1 394 . 1 1 82 82 LYS C C 13 177.55 0.20 . 1 . . . . 82 LYS C . 19377 1 395 . 1 1 82 82 LYS CA C 13 58.66 0.25 . 1 . . . . 82 LYS CA . 19377 1 396 . 1 1 82 82 LYS CB C 13 32.03 0.50 . 1 . . . . 82 LYS CB . 19377 1 397 . 1 1 82 82 LYS N N 15 118.73 0.10 . 1 . . . . 82 LYS N . 19377 1 398 . 1 1 83 83 HIS H H 1 7.60 0.01 . 1 . . . . 83 HIS H . 19377 1 399 . 1 1 83 83 HIS C C 13 174.05 0.20 . 1 . . . . 83 HIS C . 19377 1 400 . 1 1 83 83 HIS CA C 13 57.48 0.25 . 1 . . . . 83 HIS CA . 19377 1 401 . 1 1 83 83 HIS CB C 13 31.08 0.50 . 1 . . . . 83 HIS CB . 19377 1 402 . 1 1 83 83 HIS N N 15 115.67 0.10 . 1 . . . . 83 HIS N . 19377 1 403 . 1 1 84 84 GLY H H 1 7.71 0.01 . 1 . . . . 84 GLY H . 19377 1 404 . 1 1 84 84 GLY C C 13 170.88 0.20 . 1 . . . . 84 GLY C . 19377 1 405 . 1 1 84 84 GLY CA C 13 46.94 0.25 . 1 . . . . 84 GLY CA . 19377 1 406 . 1 1 84 84 GLY N N 15 109.42 0.10 . 1 . . . . 84 GLY N . 19377 1 407 . 1 1 85 85 PRO C C 13 178.97 0.20 . 1 . . . . 85 PRO C . 19377 1 408 . 1 1 85 85 PRO CA C 13 65.69 0.25 . 1 . . . . 85 PRO CA . 19377 1 409 . 1 1 85 85 PRO CB C 13 31.47 0.50 . 1 . . . . 85 PRO CB . 19377 1 410 . 1 1 86 86 GLU H H 1 9.66 0.01 . 1 . . . . 86 GLU H . 19377 1 411 . 1 1 86 86 GLU HB2 H 1 1.97 0.10 . 2 . . . . 86 GLU HB2 . 19377 1 412 . 1 1 86 86 GLU C C 13 177.55 0.20 . 1 . . . . 86 GLU C . 19377 1 413 . 1 1 86 86 GLU CA C 13 59.12 0.25 . 1 . . . . 86 GLU CA . 19377 1 414 . 1 1 86 86 GLU CB C 13 28.75 0.50 . 1 . . . . 86 GLU CB . 19377 1 415 . 1 1 86 86 GLU N N 15 119.09 0.10 . 1 . . . . 86 GLU N . 19377 1 416 . 1 1 87 87 ILE H H 1 7.47 0.01 . 1 . . . . 87 ILE H . 19377 1 417 . 1 1 87 87 ILE C C 13 176.13 0.20 . 1 . . . . 87 ILE C . 19377 1 418 . 1 1 87 87 ILE CA C 13 60.53 0.25 . 1 . . . . 87 ILE CA . 19377 1 419 . 1 1 87 87 ILE CB C 13 38.10 0.50 . 1 . . . . 87 ILE CB . 19377 1 420 . 1 1 87 87 ILE N N 15 114.07 0.10 . 1 . . . . 87 ILE N . 19377 1 421 . 1 1 88 88 LYS H H 1 7.47 0.01 . 1 . . . . 88 LYS H . 19377 1 422 . 1 1 88 88 LYS C C 13 177.23 0.20 . 1 . . . . 88 LYS C . 19377 1 423 . 1 1 88 88 LYS CA C 13 61.23 0.25 . 1 . . . . 88 LYS CA . 19377 1 424 . 1 1 88 88 LYS CB C 13 32.50 0.50 . 1 . . . . 88 LYS CB . 19377 1 425 . 1 1 88 88 LYS N N 15 124.11 0.10 . 1 . . . . 88 LYS N . 19377 1 426 . 1 1 89 89 GLU H H 1 8.68 0.01 . 1 . . . . 89 GLU H . 19377 1 427 . 1 1 89 89 GLU HB2 H 1 1.81 0.10 . 2 . . . . 89 GLU HB2 . 19377 1 428 . 1 1 89 89 GLU HB3 H 1 1.75 0.10 . 2 . . . . 89 GLU HB3 . 19377 1 429 . 1 1 89 89 GLU C C 13 179.09 0.20 . 1 . . . . 89 GLU C . 19377 1 430 . 1 1 89 89 GLU CA C 13 59.83 0.25 . 1 . . . . 89 GLU CA . 19377 1 431 . 1 1 89 89 GLU CB C 13 28.48 0.50 . 1 . . . . 89 GLU CB . 19377 1 432 . 1 1 89 89 GLU N N 15 119.58 0.10 . 1 . . . . 89 GLU N . 19377 1 433 . 1 1 90 90 HIS H H 1 7.46 0.01 . 1 . . . . 90 HIS H . 19377 1 434 . 1 1 90 90 HIS C C 13 179.09 0.20 . 1 . . . . 90 HIS C . 19377 1 435 . 1 1 90 90 HIS CA C 13 58.41 0.25 . 1 . . . . 90 HIS CA . 19377 1 436 . 1 1 90 90 HIS CB C 13 31.09 0.50 . 1 . . . . 90 HIS CB . 19377 1 437 . 1 1 90 90 HIS N N 15 119.66 0.10 . 1 . . . . 90 HIS N . 19377 1 438 . 1 1 91 91 LEU H H 1 8.48 0.01 . 1 . . . . 91 LEU H . 19377 1 439 . 1 1 91 91 LEU C C 13 178.59 0.20 . 1 . . . . 91 LEU C . 19377 1 440 . 1 1 91 91 LEU CA C 13 57.94 0.25 . 1 . . . . 91 LEU CA . 19377 1 441 . 1 1 91 91 LEU CB C 13 40.94 0.50 . 1 . . . . 91 LEU CB . 19377 1 442 . 1 1 91 91 LEU N N 15 122.69 0.10 . 1 . . . . 91 LEU N . 19377 1 443 . 1 1 92 92 ASN H H 1 8.73 0.01 . 1 . . . . 92 ASN H . 19377 1 444 . 1 1 92 92 ASN HB2 H 1 2.85 0.10 . 2 . . . . 92 ASN HB2 . 19377 1 445 . 1 1 92 92 ASN C C 13 177.45 0.20 . 1 . . . . 92 ASN C . 19377 1 446 . 1 1 92 92 ASN CA C 13 57.01 0.25 . 1 . . . . 92 ASN CA . 19377 1 447 . 1 1 92 92 ASN CB C 13 38.43 0.50 . 1 . . . . 92 ASN CB . 19377 1 448 . 1 1 92 92 ASN N N 15 121.55 0.10 . 1 . . . . 92 ASN N . 19377 1 449 . 1 1 93 93 SER H H 1 7.79 0.01 . 1 . . . . 93 SER H . 19377 1 450 . 1 1 93 93 SER HB2 H 1 4.05 0.10 . 2 . . . . 93 SER HB2 . 19377 1 451 . 1 1 93 93 SER C C 13 176.13 0.20 . 1 . . . . 93 SER C . 19377 1 452 . 1 1 93 93 SER CA C 13 61.23 0.25 . 1 . . . . 93 SER CA . 19377 1 453 . 1 1 93 93 SER CB C 13 62.97 0.50 . 1 . . . . 93 SER CB . 19377 1 454 . 1 1 93 93 SER N N 15 115.55 0.10 . 1 . . . . 93 SER N . 19377 1 455 . 1 1 94 94 LEU H H 1 7.97 0.01 . 1 . . . . 94 LEU H . 19377 1 456 . 1 1 94 94 LEU C C 13 177.88 0.20 . 1 . . . . 94 LEU C . 19377 1 457 . 1 1 94 94 LEU CA C 13 58.65 0.25 . 1 . . . . 94 LEU CA . 19377 1 458 . 1 1 94 94 LEU CB C 13 41.89 0.50 . 1 . . . . 94 LEU CB . 19377 1 459 . 1 1 94 94 LEU N N 15 121.78 0.10 . 1 . . . . 94 LEU N . 19377 1 460 . 1 1 95 95 GLY H H 1 8.51 0.01 . 1 . . . . 95 GLY H . 19377 1 461 . 1 1 95 95 GLY C C 13 175.48 0.20 . 1 . . . . 95 GLY C . 19377 1 462 . 1 1 95 95 GLY CA C 13 47.86 0.25 . 1 . . . . 95 GLY CA . 19377 1 463 . 1 1 95 95 GLY N N 15 106.93 0.10 . 1 . . . . 95 GLY N . 19377 1 464 . 1 1 96 96 GLU H H 1 8.16 0.01 . 1 . . . . 96 GLU H . 19377 1 465 . 1 1 96 96 GLU HB2 H 1 2.19 0.10 . 2 . . . . 96 GLU HB2 . 19377 1 466 . 1 1 96 96 GLU HB3 H 1 2.14 0.10 . 2 . . . . 96 GLU HB3 . 19377 1 467 . 1 1 96 96 GLU C C 13 179.52 0.20 . 1 . . . . 96 GLU C . 19377 1 468 . 1 1 96 96 GLU CA C 13 59.82 0.25 . 1 . . . . 96 GLU CA . 19377 1 469 . 1 1 96 96 GLU CB C 13 29.21 0.50 . 1 . . . . 96 GLU CB . 19377 1 470 . 1 1 96 96 GLU N N 15 122.61 0.10 . 1 . . . . 96 GLU N . 19377 1 471 . 1 1 97 97 LYS H H 1 8.33 0.01 . 1 . . . . 97 LYS H . 19377 1 472 . 1 1 97 97 LYS C C 13 179.52 0.20 . 1 . . . . 97 LYS C . 19377 1 473 . 1 1 97 97 LYS CA C 13 59.13 0.25 . 1 . . . . 97 LYS CA . 19377 1 474 . 1 1 97 97 LYS CB C 13 31.56 0.50 . 1 . . . . 97 LYS CB . 19377 1 475 . 1 1 97 97 LYS N N 15 120.22 0.10 . 1 . . . . 97 LYS N . 19377 1 476 . 1 1 98 98 LEU H H 1 8.52 0.01 . 1 . . . . 98 LEU H . 19377 1 477 . 1 1 98 98 LEU C C 13 177.32 0.20 . 1 . . . . 98 LEU C . 19377 1 478 . 1 1 98 98 LEU CA C 13 58.17 0.25 . 1 . . . . 98 LEU CA . 19377 1 479 . 1 1 98 98 LEU CB C 13 41.26 0.50 . 1 . . . . 98 LEU CB . 19377 1 480 . 1 1 98 98 LEU N N 15 124.95 0.10 . 1 . . . . 98 LEU N . 19377 1 481 . 1 1 99 99 LYS H H 1 8.65 0.01 . 1 . . . . 99 LYS H . 19377 1 482 . 1 1 99 99 LYS C C 13 179.74 0.20 . 1 . . . . 99 LYS C . 19377 1 483 . 1 1 99 99 LYS CA C 13 61.00 0.25 . 1 . . . . 99 LYS CA . 19377 1 484 . 1 1 99 99 LYS CB C 13 32.04 0.50 . 1 . . . . 99 LYS CB . 19377 1 485 . 1 1 99 99 LYS N N 15 122.09 0.10 . 1 . . . . 99 LYS N . 19377 1 486 . 1 1 100 100 THR H H 1 8.60 0.01 . 1 . . . . 100 THR H . 19377 1 487 . 1 1 100 100 THR C C 13 175.58 0.20 . 1 . . . . 100 THR C . 19377 1 488 . 1 1 100 100 THR CA C 13 67.10 0.25 . 1 . . . . 100 THR CA . 19377 1 489 . 1 1 100 100 THR CB C 13 68.59 0.50 . 1 . . . . 100 THR CB . 19377 1 490 . 1 1 100 100 THR N N 15 119.20 0.10 . 1 . . . . 100 THR N . 19377 1 491 . 1 1 101 101 LEU H H 1 7.97 0.01 . 1 . . . . 101 LEU H . 19377 1 492 . 1 1 101 101 LEU C C 13 177.45 0.20 . 1 . . . . 101 LEU C . 19377 1 493 . 1 1 101 101 LEU CA C 13 58.66 0.25 . 1 . . . . 101 LEU CA . 19377 1 494 . 1 1 101 101 LEU CB C 13 40.46 0.50 . 1 . . . . 101 LEU CB . 19377 1 495 . 1 1 101 101 LEU N N 15 124.24 0.10 . 1 . . . . 101 LEU N . 19377 1 496 . 1 1 102 102 ARG H H 1 8.32 0.01 . 1 . . . . 102 ARG H . 19377 1 497 . 1 1 102 102 ARG C C 13 176.68 0.20 . 1 . . . . 102 ARG C . 19377 1 498 . 1 1 102 102 ARG CA C 13 60.65 0.25 . 1 . . . . 102 ARG CA . 19377 1 499 . 1 1 102 102 ARG CB C 13 31.55 0.50 . 1 . . . . 102 ARG CB . 19377 1 500 . 1 1 102 102 ARG N N 15 119.75 0.10 . 1 . . . . 102 ARG N . 19377 1 501 . 1 1 103 103 MET H H 1 7.86 0.01 . 1 . . . . 103 MET H . 19377 1 502 . 1 1 103 103 MET C C 13 178.54 0.20 . 1 . . . . 103 MET C . 19377 1 503 . 1 1 103 103 MET CA C 13 58.89 0.25 . 1 . . . . 103 MET CA . 19377 1 504 . 1 1 103 103 MET CB C 13 31.09 0.50 . 1 . . . . 103 MET CB . 19377 1 505 . 1 1 103 103 MET N N 15 117.52 0.10 . 1 . . . . 103 MET N . 19377 1 506 . 1 1 104 104 ARG H H 1 8.27 0.01 . 1 . . . . 104 ARG H . 19377 1 507 . 1 1 104 104 ARG C C 13 179.42 0.20 . 1 . . . . 104 ARG C . 19377 1 508 . 1 1 104 104 ARG CA C 13 59.59 0.25 . 1 . . . . 104 ARG CA . 19377 1 509 . 1 1 104 104 ARG CB C 13 30.58 0.50 . 1 . . . . 104 ARG CB . 19377 1 510 . 1 1 104 104 ARG N N 15 120.79 0.10 . 1 . . . . 104 ARG N . 19377 1 511 . 1 1 105 105 LEU H H 1 8.83 0.01 . 1 . . . . 105 LEU H . 19377 1 512 . 1 1 105 105 LEU C C 13 178.38 0.20 . 1 . . . . 105 LEU C . 19377 1 513 . 1 1 105 105 LEU CA C 13 58.19 0.25 . 1 . . . . 105 LEU CA . 19377 1 514 . 1 1 105 105 LEU CB C 13 41.40 0.50 . 1 . . . . 105 LEU CB . 19377 1 515 . 1 1 105 105 LEU N N 15 120.18 0.10 . 1 . . . . 105 LEU N . 19377 1 516 . 1 1 106 106 ARG H H 1 8.17 0.01 . 1 . . . . 106 ARG H . 19377 1 517 . 1 1 106 106 ARG C C 13 177.51 0.20 . 1 . . . . 106 ARG C . 19377 1 518 . 1 1 106 106 ARG CA C 13 59.12 0.25 . 1 . . . . 106 ARG CA . 19377 1 519 . 1 1 106 106 ARG N N 15 118.06 0.10 . 1 . . . . 106 ARG N . 19377 1 520 . 1 1 113 113 PRO C C 13 177.55 0.20 . 1 . . . . 113 PRO C . 19377 1 521 . 1 1 113 113 PRO CA C 13 65.92 0.25 . 1 . . . . 113 PRO CA . 19377 1 522 . 1 1 113 113 PRO CB C 13 34.97 0.50 . 1 . . . . 113 PRO CB . 19377 1 523 . 1 1 114 114 CYS H H 1 8.06 0.01 . 1 . . . . 114 CYS H . 19377 1 524 . 1 1 114 114 CYS C C 13 173.73 0.20 . 1 . . . . 114 CYS C . 19377 1 525 . 1 1 114 114 CYS CA C 13 60.76 0.25 . 1 . . . . 114 CYS CA . 19377 1 526 . 1 1 114 114 CYS CB C 13 39.36 0.50 . 1 . . . . 114 CYS CB . 19377 1 527 . 1 1 114 114 CYS N N 15 110.62 0.10 . 1 . . . . 114 CYS N . 19377 1 528 . 1 1 115 115 GLU H H 1 7.26 0.01 . 1 . . . . 115 GLU H . 19377 1 529 . 1 1 115 115 GLU C C 13 175.03 0.20 . 1 . . . . 115 GLU C . 19377 1 530 . 1 1 115 115 GLU CA C 13 57.02 0.25 . 1 . . . . 115 GLU CA . 19377 1 531 . 1 1 115 115 GLU CB C 13 30.15 0.50 . 1 . . . . 115 GLU CB . 19377 1 532 . 1 1 115 115 GLU N N 15 121.56 0.10 . 1 . . . . 115 GLU N . 19377 1 533 . 1 1 116 116 ASN H H 1 7.67 0.01 . 1 . . . . 116 ASN H . 19377 1 534 . 1 1 116 116 ASN C C 13 173.06 0.20 . 1 . . . . 116 ASN C . 19377 1 535 . 1 1 116 116 ASN CA C 13 53.26 0.25 . 1 . . . . 116 ASN CA . 19377 1 536 . 1 1 116 116 ASN CB C 13 41.88 0.50 . 1 . . . . 116 ASN CB . 19377 1 537 . 1 1 116 116 ASN N N 15 119.64 0.10 . 1 . . . . 116 ASN N . 19377 1 538 . 1 1 117 117 LYS H H 1 8.34 0.01 . 1 . . . . 117 LYS H . 19377 1 539 . 1 1 117 117 LYS C C 13 176.03 0.20 . 1 . . . . 117 LYS C . 19377 1 540 . 1 1 117 117 LYS CA C 13 54.67 0.25 . 1 . . . . 117 LYS CA . 19377 1 541 . 1 1 117 117 LYS CB C 13 34.37 0.50 . 1 . . . . 117 LYS CB . 19377 1 542 . 1 1 117 117 LYS N N 15 119.36 0.10 . 1 . . . . 117 LYS N . 19377 1 543 . 1 1 118 118 SER H H 1 8.88 0.01 . 1 . . . . 118 SER H . 19377 1 544 . 1 1 118 118 SER C C 13 176.13 0.20 . 1 . . . . 118 SER C . 19377 1 545 . 1 1 118 118 SER CA C 13 57.73 0.25 . 1 . . . . 118 SER CA . 19377 1 546 . 1 1 118 118 SER CB C 13 62.61 0.50 . 1 . . . . 118 SER CB . 19377 1 547 . 1 1 118 118 SER N N 15 116.71 0.10 . 1 . . . . 118 SER N . 19377 1 548 . 1 1 119 119 LYS H H 1 9.20 0.01 . 1 . . . . 119 LYS H . 19377 1 549 . 1 1 119 119 LYS C C 13 178.54 0.20 . 1 . . . . 119 LYS C . 19377 1 550 . 1 1 119 119 LYS CA C 13 58.64 0.25 . 1 . . . . 119 LYS CA . 19377 1 551 . 1 1 119 119 LYS CB C 13 31.56 0.50 . 1 . . . . 119 LYS CB . 19377 1 552 . 1 1 119 119 LYS N N 15 134.07 0.10 . 1 . . . . 119 LYS N . 19377 1 553 . 1 1 120 120 ALA H H 1 7.94 0.01 . 1 . . . . 120 ALA H . 19377 1 554 . 1 1 120 120 ALA C C 13 179.96 0.20 . 1 . . . . 120 ALA C . 19377 1 555 . 1 1 120 120 ALA CA C 13 55.13 0.25 . 1 . . . . 120 ALA CA . 19377 1 556 . 1 1 120 120 ALA CB C 13 18.43 0.50 . 1 . . . . 120 ALA CB . 19377 1 557 . 1 1 120 120 ALA N N 15 123.16 0.10 . 1 . . . . 120 ALA N . 19377 1 558 . 1 1 121 121 VAL H H 1 7.83 0.01 . 1 . . . . 121 VAL H . 19377 1 559 . 1 1 121 121 VAL C C 13 176.68 0.20 . 1 . . . . 121 VAL C . 19377 1 560 . 1 1 121 121 VAL CA C 13 66.61 0.25 . 1 . . . . 121 VAL CA . 19377 1 561 . 1 1 121 121 VAL CB C 13 31.22 0.50 . 1 . . . . 121 VAL CB . 19377 1 562 . 1 1 121 121 VAL N N 15 120.05 0.10 . 1 . . . . 121 VAL N . 19377 1 563 . 1 1 122 122 GLU H H 1 7.33 0.01 . 1 . . . . 122 GLU H . 19377 1 564 . 1 1 122 122 GLU HB2 H 1 1.97 0.10 . 2 . . . . 122 GLU HB2 . 19377 1 565 . 1 1 122 122 GLU C C 13 178.75 0.20 . 1 . . . . 122 GLU C . 19377 1 566 . 1 1 122 122 GLU CA C 13 59.82 0.25 . 1 . . . . 122 GLU CA . 19377 1 567 . 1 1 122 122 GLU CB C 13 29.21 0.50 . 1 . . . . 122 GLU CB . 19377 1 568 . 1 1 122 122 GLU N N 15 119.86 0.10 . 1 . . . . 122 GLU N . 19377 1 569 . 1 1 123 123 GLN H H 1 7.82 0.01 . 1 . . . . 123 GLN H . 19377 1 570 . 1 1 123 123 GLN C C 13 176.79 0.20 . 1 . . . . 123 GLN C . 19377 1 571 . 1 1 123 123 GLN CA C 13 58.66 0.25 . 1 . . . . 123 GLN CA . 19377 1 572 . 1 1 123 123 GLN CB C 13 28.04 0.50 . 1 . . . . 123 GLN CB . 19377 1 573 . 1 1 123 123 GLN N N 15 121.15 0.10 . 1 . . . . 123 GLN N . 19377 1 574 . 1 1 124 124 VAL H H 1 7.79 0.01 . 1 . . . . 124 VAL H . 19377 1 575 . 1 1 124 124 VAL C C 13 177.66 0.20 . 1 . . . . 124 VAL C . 19377 1 576 . 1 1 124 124 VAL CA C 13 66.62 0.25 . 1 . . . . 124 VAL CA . 19377 1 577 . 1 1 124 124 VAL CB C 13 31.10 0.50 . 1 . . . . 124 VAL CB . 19377 1 578 . 1 1 124 124 VAL N N 15 122.42 0.10 . 1 . . . . 124 VAL N . 19377 1 579 . 1 1 125 125 LYS H H 1 7.96 0.01 . 1 . . . . 125 LYS H . 19377 1 580 . 1 1 125 125 LYS C C 13 178.54 0.20 . 1 . . . . 125 LYS C . 19377 1 581 . 1 1 125 125 LYS CA C 13 60.77 0.25 . 1 . . . . 125 LYS CA . 19377 1 582 . 1 1 125 125 LYS CB C 13 31.57 0.50 . 1 . . . . 125 LYS CB . 19377 1 583 . 1 1 125 125 LYS N N 15 118.06 0.10 . 1 . . . . 125 LYS N . 19377 1 584 . 1 1 126 126 SER H H 1 8.07 0.01 . 1 . . . . 126 SER H . 19377 1 585 . 1 1 126 126 SER HB2 H 1 3.99 0.10 . 2 . . . . 126 SER HB2 . 19377 1 586 . 1 1 126 126 SER HB3 H 1 3.94 0.10 . 2 . . . . 126 SER HB3 . 19377 1 587 . 1 1 126 126 SER C C 13 177.44 0.20 . 1 . . . . 126 SER C . 19377 1 588 . 1 1 126 126 SER CA C 13 61.70 0.25 . 1 . . . . 126 SER CA . 19377 1 589 . 1 1 126 126 SER CB C 13 62.97 0.50 . 1 . . . . 126 SER CB . 19377 1 590 . 1 1 126 126 SER N N 15 115.94 0.10 . 1 . . . . 126 SER N . 19377 1 591 . 1 1 127 127 ASP H H 1 8.83 0.01 . 1 . . . . 127 ASP H . 19377 1 592 . 1 1 127 127 ASP C C 13 177.88 0.20 . 1 . . . . 127 ASP C . 19377 1 593 . 1 1 127 127 ASP CA C 13 57.74 0.25 . 1 . . . . 127 ASP CA . 19377 1 594 . 1 1 127 127 ASP CB C 13 40.01 0.50 . 1 . . . . 127 ASP CB . 19377 1 595 . 1 1 127 127 ASP N N 15 124.66 0.10 . 1 . . . . 127 ASP N . 19377 1 596 . 1 1 128 128 PHE H H 1 8.89 0.01 . 1 . . . . 128 PHE H . 19377 1 597 . 1 1 128 128 PHE C C 13 177.12 0.20 . 1 . . . . 128 PHE C . 19377 1 598 . 1 1 128 128 PHE CA C 13 62.16 0.25 . 1 . . . . 128 PHE CA . 19377 1 599 . 1 1 128 128 PHE CB C 13 40.00 0.50 . 1 . . . . 128 PHE CB . 19377 1 600 . 1 1 128 128 PHE N N 15 121.35 0.10 . 1 . . . . 128 PHE N . 19377 1 601 . 1 1 129 129 ASN H H 1 8.25 0.01 . 1 . . . . 129 ASN H . 19377 1 602 . 1 1 129 129 ASN C C 13 178.32 0.20 . 1 . . . . 129 ASN C . 19377 1 603 . 1 1 129 129 ASN CA C 13 56.55 0.25 . 1 . . . . 129 ASN CA . 19377 1 604 . 1 1 129 129 ASN CB C 13 39.06 0.50 . 1 . . . . 129 ASN CB . 19377 1 605 . 1 1 129 129 ASN N N 15 118.92 0.10 . 1 . . . . 129 ASN N . 19377 1 606 . 1 1 130 130 LYS H H 1 8.05 0.01 . 1 . . . . 130 LYS H . 19377 1 607 . 1 1 130 130 LYS C C 13 177.78 0.20 . 1 . . . . 130 LYS C . 19377 1 608 . 1 1 130 130 LYS CA C 13 59.12 0.25 . 1 . . . . 130 LYS CA . 19377 1 609 . 1 1 130 130 LYS CB C 13 32.45 0.50 . 1 . . . . 130 LYS CB . 19377 1 610 . 1 1 130 130 LYS N N 15 121.84 0.10 . 1 . . . . 130 LYS N . 19377 1 611 . 1 1 131 131 LEU H H 1 7.49 0.01 . 1 . . . . 131 LEU H . 19377 1 612 . 1 1 131 131 LEU C C 13 176.79 0.20 . 1 . . . . 131 LEU C . 19377 1 613 . 1 1 131 131 LEU CA C 13 55.60 0.25 . 1 . . . . 131 LEU CA . 19377 1 614 . 1 1 131 131 LEU CB C 13 42.34 0.50 . 1 . . . . 131 LEU CB . 19377 1 615 . 1 1 131 131 LEU N N 15 117.75 0.10 . 1 . . . . 131 LEU N . 19377 1 616 . 1 1 132 132 GLN H H 1 7.59 0.01 . 1 . . . . 132 GLN H . 19377 1 617 . 1 1 132 132 GLN C C 13 177.77 0.20 . 1 . . . . 132 GLN C . 19377 1 618 . 1 1 132 132 GLN CA C 13 57.48 0.25 . 1 . . . . 132 GLN CA . 19377 1 619 . 1 1 132 132 GLN CB C 13 26.40 0.50 . 1 . . . . 132 GLN CB . 19377 1 620 . 1 1 132 132 GLN N N 15 117.53 0.10 . 1 . . . . 132 GLN N . 19377 1 621 . 1 1 133 133 ASP H H 1 8.73 0.01 . 1 . . . . 133 ASP H . 19377 1 622 . 1 1 133 133 ASP HB2 H 1 2.52 0.10 . 2 . . . . 133 ASP HB2 . 19377 1 623 . 1 1 133 133 ASP HB3 H 1 2.41 0.10 . 2 . . . . 133 ASP HB3 . 19377 1 624 . 1 1 133 133 ASP C C 13 176.68 0.20 . 1 . . . . 133 ASP C . 19377 1 625 . 1 1 133 133 ASP CA C 13 57.96 0.25 . 1 . . . . 133 ASP CA . 19377 1 626 . 1 1 133 133 ASP CB C 13 39.06 0.50 . 1 . . . . 133 ASP CB . 19377 1 627 . 1 1 133 133 ASP N N 15 125.92 0.10 . 1 . . . . 133 ASP N . 19377 1 628 . 1 1 134 134 GLN H H 1 7.65 0.01 . 1 . . . . 134 GLN H . 19377 1 629 . 1 1 134 134 GLN C C 13 178.21 0.20 . 1 . . . . 134 GLN C . 19377 1 630 . 1 1 134 134 GLN CA C 13 58.19 0.25 . 1 . . . . 134 GLN CA . 19377 1 631 . 1 1 134 134 GLN CB C 13 28.28 0.50 . 1 . . . . 134 GLN CB . 19377 1 632 . 1 1 134 134 GLN N N 15 115.13 0.10 . 1 . . . . 134 GLN N . 19377 1 633 . 1 1 135 135 GLY H H 1 7.68 0.01 . 1 . . . . 135 GLY H . 19377 1 634 . 1 1 135 135 GLY C C 13 174.17 0.20 . 1 . . . . 135 GLY C . 19377 1 635 . 1 1 135 135 GLY CA C 13 47.87 0.25 . 1 . . . . 135 GLY CA . 19377 1 636 . 1 1 135 135 GLY N N 15 110.47 0.10 . 1 . . . . 135 GLY N . 19377 1 637 . 1 1 136 136 VAL H H 1 7.24 0.01 . 1 . . . . 136 VAL H . 19377 1 638 . 1 1 136 136 VAL C C 13 176.57 0.20 . 1 . . . . 136 VAL C . 19377 1 639 . 1 1 136 136 VAL CA C 13 66.85 0.25 . 1 . . . . 136 VAL CA . 19377 1 640 . 1 1 136 136 VAL CB C 13 31.08 0.50 . 1 . . . . 136 VAL CB . 19377 1 641 . 1 1 136 136 VAL N N 15 123.05 0.10 . 1 . . . . 136 VAL N . 19377 1 642 . 1 1 137 137 TYR H H 1 6.95 0.01 . 1 . . . . 137 TYR H . 19377 1 643 . 1 1 137 137 TYR C C 13 177.23 0.20 . 1 . . . . 137 TYR C . 19377 1 644 . 1 1 137 137 TYR CA C 13 59.83 0.25 . 1 . . . . 137 TYR CA . 19377 1 645 . 1 1 137 137 TYR CB C 13 36.72 0.50 . 1 . . . . 137 TYR CB . 19377 1 646 . 1 1 137 137 TYR N N 15 117.53 0.10 . 1 . . . . 137 TYR N . 19377 1 647 . 1 1 138 138 LYS H H 1 8.01 0.01 . 1 . . . . 138 LYS H . 19377 1 648 . 1 1 138 138 LYS C C 13 177.01 0.20 . 1 . . . . 138 LYS C . 19377 1 649 . 1 1 138 138 LYS CA C 13 59.36 0.25 . 1 . . . . 138 LYS CA . 19377 1 650 . 1 1 138 138 LYS CB C 13 29.69 0.50 . 1 . . . . 138 LYS CB . 19377 1 651 . 1 1 138 138 LYS N N 15 119.75 0.10 . 1 . . . . 138 LYS N . 19377 1 652 . 1 1 139 139 ALA H H 1 8.66 0.01 . 1 . . . . 139 ALA H . 19377 1 653 . 1 1 139 139 ALA C C 13 180.95 0.20 . 1 . . . . 139 ALA C . 19377 1 654 . 1 1 139 139 ALA CA C 13 55.61 0.25 . 1 . . . . 139 ALA CA . 19377 1 655 . 1 1 139 139 ALA CB C 13 17.96 0.50 . 1 . . . . 139 ALA CB . 19377 1 656 . 1 1 139 139 ALA N N 15 119.36 0.10 . 1 . . . . 139 ALA N . 19377 1 657 . 1 1 140 140 MET H H 1 7.74 0.01 . 1 . . . . 140 MET H . 19377 1 658 . 1 1 140 140 MET C C 13 178.10 0.20 . 1 . . . . 140 MET C . 19377 1 659 . 1 1 140 140 MET CA C 13 55.13 0.25 . 1 . . . . 140 MET CA . 19377 1 660 . 1 1 140 140 MET CB C 13 27.81 0.50 . 1 . . . . 140 MET CB . 19377 1 661 . 1 1 140 140 MET N N 15 114.67 0.10 . 1 . . . . 140 MET N . 19377 1 662 . 1 1 141 141 ASN H H 1 8.54 0.01 . 1 . . . . 141 ASN H . 19377 1 663 . 1 1 141 141 ASN C C 13 175.69 0.20 . 1 . . . . 141 ASN C . 19377 1 664 . 1 1 141 141 ASN CA C 13 56.31 0.25 . 1 . . . . 141 ASN CA . 19377 1 665 . 1 1 141 141 ASN CB C 13 39.05 0.50 . 1 . . . . 141 ASN CB . 19377 1 666 . 1 1 141 141 ASN N N 15 119.66 0.10 . 1 . . . . 141 ASN N . 19377 1 667 . 1 1 142 142 GLU H H 1 7.65 0.01 . 1 . . . . 142 GLU H . 19377 1 668 . 1 1 142 142 GLU C C 13 175.58 0.20 . 1 . . . . 142 GLU C . 19377 1 669 . 1 1 142 142 GLU CA C 13 56.31 0.25 . 1 . . . . 142 GLU CA . 19377 1 670 . 1 1 142 142 GLU CB C 13 29.19 0.50 . 1 . . . . 142 GLU CB . 19377 1 671 . 1 1 142 142 GLU N N 15 112.64 0.10 . 1 . . . . 142 GLU N . 19377 1 672 . 1 1 143 143 PHE H H 1 7.70 0.01 . 1 . . . . 143 PHE H . 19377 1 673 . 1 1 143 143 PHE C C 13 175.58 0.20 . 1 . . . . 143 PHE C . 19377 1 674 . 1 1 143 143 PHE CA C 13 61.46 0.25 . 1 . . . . 143 PHE CA . 19377 1 675 . 1 1 143 143 PHE CB C 13 39.07 0.50 . 1 . . . . 143 PHE CB . 19377 1 676 . 1 1 143 143 PHE N N 15 123.04 0.10 . 1 . . . . 143 PHE N . 19377 1 677 . 1 1 144 144 ASP H H 1 7.57 0.01 . 1 . . . . 144 ASP H . 19377 1 678 . 1 1 144 144 ASP C C 13 177.55 0.20 . 1 . . . . 144 ASP C . 19377 1 679 . 1 1 144 144 ASP CA C 13 56.31 0.25 . 1 . . . . 144 ASP CA . 19377 1 680 . 1 1 144 144 ASP CB C 13 39.06 0.50 . 1 . . . . 144 ASP CB . 19377 1 681 . 1 1 144 144 ASP N N 15 114.29 0.10 . 1 . . . . 144 ASP N . 19377 1 682 . 1 1 145 145 ILE H H 1 7.59 0.01 . 1 . . . . 145 ILE H . 19377 1 683 . 1 1 145 145 ILE C C 13 176.90 0.20 . 1 . . . . 145 ILE C . 19377 1 684 . 1 1 145 145 ILE CA C 13 64.60 0.25 . 1 . . . . 145 ILE CA . 19377 1 685 . 1 1 145 145 ILE CB C 13 36.25 0.50 . 1 . . . . 145 ILE CB . 19377 1 686 . 1 1 145 145 ILE N N 15 126.03 0.10 . 1 . . . . 145 ILE N . 19377 1 687 . 1 1 146 146 PHE H H 1 7.23 0.01 . 1 . . . . 146 PHE H . 19377 1 688 . 1 1 146 146 PHE C C 13 176.46 0.20 . 1 . . . . 146 PHE C . 19377 1 689 . 1 1 146 146 PHE CA C 13 59.59 0.25 . 1 . . . . 146 PHE CA . 19377 1 690 . 1 1 146 146 PHE CB C 13 37.17 0.50 . 1 . . . . 146 PHE CB . 19377 1 691 . 1 1 146 146 PHE N N 15 119.06 0.10 . 1 . . . . 146 PHE N . 19377 1 692 . 1 1 147 147 ILE H H 1 7.95 0.01 . 1 . . . . 147 ILE H . 19377 1 693 . 1 1 147 147 ILE C C 13 176.95 0.20 . 1 . . . . 147 ILE C . 19377 1 694 . 1 1 147 147 ILE CA C 13 65.92 0.25 . 1 . . . . 147 ILE CA . 19377 1 695 . 1 1 147 147 ILE CB C 13 37.18 0.50 . 1 . . . . 147 ILE CB . 19377 1 696 . 1 1 147 147 ILE N N 15 117.67 0.10 . 1 . . . . 147 ILE N . 19377 1 697 . 1 1 148 148 ASN H H 1 7.71 0.01 . 1 . . . . 148 ASN H . 19377 1 698 . 1 1 148 148 ASN C C 13 178.75 0.20 . 1 . . . . 148 ASN C . 19377 1 699 . 1 1 148 148 ASN CA C 13 56.08 0.25 . 1 . . . . 148 ASN CA . 19377 1 700 . 1 1 148 148 ASN CB C 13 36.95 0.50 . 1 . . . . 148 ASN CB . 19377 1 701 . 1 1 148 148 ASN N N 15 119.52 0.10 . 1 . . . . 148 ASN N . 19377 1 702 . 1 1 149 149 TYR H H 1 8.57 0.01 . 1 . . . . 149 TYR H . 19377 1 703 . 1 1 149 149 TYR C C 13 178.10 0.20 . 1 . . . . 149 TYR C . 19377 1 704 . 1 1 149 149 TYR CA C 13 57.95 0.25 . 1 . . . . 149 TYR CA . 19377 1 705 . 1 1 149 149 TYR CB C 13 35.77 0.50 . 1 . . . . 149 TYR CB . 19377 1 706 . 1 1 149 149 TYR N N 15 124.01 0.10 . 1 . . . . 149 TYR N . 19377 1 707 . 1 1 150 150 ILE H H 1 8.42 0.01 . 1 . . . . 150 ILE H . 19377 1 708 . 1 1 150 150 ILE C C 13 177.77 0.20 . 1 . . . . 150 ILE C . 19377 1 709 . 1 1 150 150 ILE CA C 13 66.86 0.25 . 1 . . . . 150 ILE CA . 19377 1 710 . 1 1 150 150 ILE CB C 13 37.19 0.50 . 1 . . . . 150 ILE CB . 19377 1 711 . 1 1 150 150 ILE N N 15 123.13 0.10 . 1 . . . . 150 ILE N . 19377 1 712 . 1 1 151 151 GLU H H 1 8.61 0.01 . 1 . . . . 151 GLU H . 19377 1 713 . 1 1 151 151 GLU C C 13 177.88 0.20 . 1 . . . . 151 GLU C . 19377 1 714 . 1 1 151 151 GLU CA C 13 60.53 0.25 . 1 . . . . 151 GLU CA . 19377 1 715 . 1 1 151 151 GLU N N 15 121.49 0.10 . 1 . . . . 151 GLU N . 19377 1 716 . 1 1 152 152 ALA H H 1 8.16 0.01 . 1 . . . . 152 ALA H . 19377 1 717 . 1 1 152 152 ALA C C 13 179.85 0.20 . 1 . . . . 152 ALA C . 19377 1 718 . 1 1 152 152 ALA CA C 13 55.60 0.25 . 1 . . . . 152 ALA CA . 19377 1 719 . 1 1 152 152 ALA CB C 13 18.42 0.50 . 1 . . . . 152 ALA CB . 19377 1 720 . 1 1 152 152 ALA N N 15 122.00 0.10 . 1 . . . . 152 ALA N . 19377 1 721 . 1 1 153 153 TYR H H 1 8.48 0.01 . 1 . . . . 153 TYR H . 19377 1 722 . 1 1 153 153 TYR HA H 1 4.54 0.10 . 1 . . . . 153 TYR HA . 19377 1 723 . 1 1 153 153 TYR HB2 H 1 3.04 0.10 . 2 . . . . 153 TYR HB2 . 19377 1 724 . 1 1 153 153 TYR C C 13 176.45 0.20 . 1 . . . . 153 TYR C . 19377 1 725 . 1 1 153 153 TYR CA C 13 61.94 0.25 . 1 . . . . 153 TYR CA . 19377 1 726 . 1 1 153 153 TYR CB C 13 38.13 0.50 . 1 . . . . 153 TYR CB . 19377 1 727 . 1 1 153 153 TYR N N 15 121.19 0.10 . 1 . . . . 153 TYR N . 19377 1 728 . 1 1 154 154 MET H H 1 8.71 0.01 . 1 . . . . 154 MET H . 19377 1 729 . 1 1 154 154 MET HB2 H 1 1.86 0.10 . 2 . . . . 154 MET HB2 . 19377 1 730 . 1 1 154 154 MET HB3 H 1 1.81 0.10 . 2 . . . . 154 MET HB3 . 19377 1 731 . 1 1 154 154 MET C C 13 177.67 0.20 . 1 . . . . 154 MET C . 19377 1 732 . 1 1 154 154 MET CA C 13 60.05 0.25 . 1 . . . . 154 MET CA . 19377 1 733 . 1 1 154 154 MET CB C 13 33.22 0.50 . 1 . . . . 154 MET CB . 19377 1 734 . 1 1 154 154 MET N N 15 118.96 0.10 . 1 . . . . 154 MET N . 19377 1 735 . 1 1 155 155 MET H H 1 8.21 0.01 . 1 . . . . 155 MET H . 19377 1 736 . 1 1 155 155 MET C C 13 178.87 0.20 . 1 . . . . 155 MET C . 19377 1 737 . 1 1 155 155 MET CA C 13 58.89 0.25 . 1 . . . . 155 MET CA . 19377 1 738 . 1 1 155 155 MET CB C 13 31.10 0.50 . 1 . . . . 155 MET CB . 19377 1 739 . 1 1 155 155 MET N N 15 118.28 0.10 . 1 . . . . 155 MET N . 19377 1 740 . 1 1 156 156 ILE H H 1 7.90 0.01 . 1 . . . . 156 ILE H . 19377 1 741 . 1 1 156 156 ILE HA H 1 4.27 0.10 . 1 . . . . 156 ILE HA . 19377 1 742 . 1 1 156 156 ILE HB H 1 1.64 0.10 . 1 . . . . 156 ILE HB . 19377 1 743 . 1 1 156 156 ILE C C 13 178.98 0.20 . 1 . . . . 156 ILE C . 19377 1 744 . 1 1 156 156 ILE CA C 13 64.98 0.25 . 1 . . . . 156 ILE CA . 19377 1 745 . 1 1 156 156 ILE CB C 13 37.86 0.50 . 1 . . . . 156 ILE CB . 19377 1 746 . 1 1 156 156 ILE N N 15 121.05 0.10 . 1 . . . . 156 ILE N . 19377 1 747 . 1 1 157 157 LYS H H 1 7.88 0.01 . 1 . . . . 157 LYS H . 19377 1 748 . 1 1 157 157 LYS HA H 1 4.11 0.10 . 1 . . . . 157 LYS HA . 19377 1 749 . 1 1 157 157 LYS HB2 H 1 1.91 0.10 . 2 . . . . 157 LYS HB2 . 19377 1 750 . 1 1 157 157 LYS C C 13 178.65 0.20 . 1 . . . . 157 LYS C . 19377 1 751 . 1 1 157 157 LYS CA C 13 56.54 0.25 . 1 . . . . 157 LYS CA . 19377 1 752 . 1 1 157 157 LYS CB C 13 31.46 0.50 . 1 . . . . 157 LYS CB . 19377 1 753 . 1 1 157 157 LYS N N 15 119.43 0.10 . 1 . . . . 157 LYS N . 19377 1 754 . 1 1 158 158 MET H H 1 8.13 0.01 . 1 . . . . 158 MET H . 19377 1 755 . 1 1 158 158 MET HA H 1 4.54 0.10 . 1 . . . . 158 MET HA . 19377 1 756 . 1 1 158 158 MET HB2 H 1 3.04 0.10 . 2 . . . . 158 MET HB2 . 19377 1 757 . 1 1 158 158 MET C C 13 177.00 0.20 . 1 . . . . 158 MET C . 19377 1 758 . 1 1 158 158 MET CA C 13 57.36 0.25 . 1 . . . . 158 MET CA . 19377 1 759 . 1 1 158 158 MET CB C 13 32.37 0.50 . 1 . . . . 158 MET CB . 19377 1 760 . 1 1 158 158 MET N N 15 118.93 0.10 . 1 . . . . 158 MET N . 19377 1 761 . 1 1 159 159 LYS H H 1 7.65 0.01 . 1 . . . . 159 LYS H . 19377 1 762 . 1 1 159 159 LYS C C 13 177.11 0.20 . 1 . . . . 159 LYS C . 19377 1 763 . 1 1 159 159 LYS CA C 13 57.95 0.25 . 1 . . . . 159 LYS CA . 19377 1 764 . 1 1 159 159 LYS CB C 13 32.09 0.50 . 1 . . . . 159 LYS CB . 19377 1 765 . 1 1 159 159 LYS N N 15 120.50 0.10 . 1 . . . . 159 LYS N . 19377 1 766 . 1 1 160 160 SER H H 1 7.88 0.01 . 1 . . . . 160 SER H . 19377 1 767 . 1 1 160 160 SER C C 13 174.49 0.20 . 1 . . . . 160 SER C . 19377 1 768 . 1 1 160 160 SER CA C 13 59.59 0.25 . 1 . . . . 160 SER CA . 19377 1 769 . 1 1 160 160 SER CB C 13 63.91 0.50 . 1 . . . . 160 SER CB . 19377 1 770 . 1 1 160 160 SER N N 15 115.78 0.10 . 1 . . . . 160 SER N . 19377 1 771 . 1 1 161 161 LEU H H 1 7.94 0.01 . 1 . . . . 161 LEU H . 19377 1 772 . 1 1 161 161 LEU C C 13 177.01 0.20 . 1 . . . . 161 LEU C . 19377 1 773 . 1 1 161 161 LEU CA C 13 55.84 0.25 . 1 . . . . 161 LEU CA . 19377 1 774 . 1 1 161 161 LEU CB C 13 42.34 0.50 . 1 . . . . 161 LEU CB . 19377 1 775 . 1 1 161 161 LEU N N 15 124.12 0.10 . 1 . . . . 161 LEU N . 19377 1 776 . 1 1 162 162 GLU H H 1 8.05 0.01 . 1 . . . . 162 GLU H . 19377 1 777 . 1 1 162 162 GLU C C 13 175.81 0.20 . 1 . . . . 162 GLU C . 19377 1 778 . 1 1 162 162 GLU CA C 13 57.01 0.25 . 1 . . . . 162 GLU CA . 19377 1 779 . 1 1 162 162 GLU N N 15 121.47 0.10 . 1 . . . . 162 GLU N . 19377 1 780 . 1 1 163 163 HIS H H 1 8.24 0.01 . 1 . . . . 163 HIS H . 19377 1 781 . 1 1 163 163 HIS C C 13 174.38 0.20 . 1 . . . . 163 HIS C . 19377 1 782 . 1 1 163 163 HIS CA C 13 56.09 0.25 . 1 . . . . 163 HIS CA . 19377 1 783 . 1 1 163 163 HIS CB C 13 29.94 0.50 . 1 . . . . 163 HIS CB . 19377 1 784 . 1 1 163 163 HIS N N 15 120.50 0.10 . 1 . . . . 163 HIS N . 19377 1 785 . 3 1 3 3 GLY H H 1 8.44 0.01 . 1 . . . . 3 GLY H . 19377 1 786 . 3 1 3 3 GLY C C 13 173.18 0.20 . 1 . . . . 3 GLY C . 19377 1 787 . 3 1 3 3 GLY CA C 13 45.31 0.25 . 1 . . . . 3 GLY CA . 19377 1 788 . 3 1 3 3 GLY N N 15 111.76 0.10 . 1 . . . . 3 GLY N . 19377 1 789 . 3 1 4 4 GLN H H 1 8.08 0.01 . 1 . . . . 4 GLN H . 19377 1 790 . 3 1 4 4 GLN C C 13 174.16 0.20 . 1 . . . . 4 GLN C . 19377 1 791 . 3 1 4 4 GLN CA C 13 56.08 0.25 . 1 . . . . 4 GLN CA . 19377 1 792 . 3 1 4 4 GLN CB C 13 29.64 0.50 . 1 . . . . 4 GLN CB . 19377 1 793 . 3 1 4 4 GLN N N 15 121.40 0.10 . 1 . . . . 4 GLN N . 19377 1 794 . 3 1 5 5 TYR H H 1 7.72 0.01 . 1 . . . . 5 TYR H . 19377 1 795 . 3 1 5 5 TYR HB2 H 1 3.78 0.10 . 1 . . . . 5 TYR HB2 . 19377 1 796 . 3 1 5 5 TYR C C 13 173.77 0.20 . 1 . . . . 5 TYR C . 19377 1 797 . 3 1 5 5 TYR CA C 13 59.36 0.25 . 1 . . . . 5 TYR CA . 19377 1 798 . 3 1 5 5 TYR CB C 13 39.53 0.50 . 1 . . . . 5 TYR CB . 19377 1 799 . 3 1 5 5 TYR N N 15 126.98 0.10 . 1 . . . . 5 TYR N . 19377 1 800 . 3 1 7 7 ARG H H 1 8.34 0.01 . 1 . . . . 7 ARG H . 19377 1 801 . 3 1 7 7 ARG HA H 1 4.38 0.10 . 1 . . . . 7 ARG HA . 19377 1 802 . 3 1 7 7 ARG HB2 H 1 1.81 0.10 . 1 . . . . 7 ARG HB2 . 19377 1 803 . 3 1 7 7 ARG C C 13 175.82 0.20 . 1 . . . . 7 ARG C . 19377 1 804 . 3 1 7 7 ARG CA C 13 56.58 0.25 . 1 . . . . 7 ARG CA . 19377 1 805 . 3 1 7 7 ARG N N 15 124.16 0.10 . 1 . . . . 7 ARG N . 19377 1 806 . 3 1 8 8 GLU H H 1 8.44 0.01 . 1 . . . . 8 GLU H . 19377 1 807 . 3 1 8 8 GLU HA H 1 4.27 0.10 . 1 . . . . 8 GLU HA . 19377 1 808 . 3 1 8 8 GLU HB2 H 1 1.97 0.10 . 1 . . . . 8 GLU HB2 . 19377 1 809 . 3 1 8 8 GLU C C 13 175.52 0.20 . 1 . . . . 8 GLU C . 19377 1 810 . 3 1 8 8 GLU CA C 13 56.99 0.25 . 1 . . . . 8 GLU CA . 19377 1 811 . 3 1 8 8 GLU N N 15 122.41 0.10 . 1 . . . . 8 GLU N . 19377 1 812 . 3 1 9 9 ASP H H 1 8.26 0.01 . 1 . . . . 9 ASP H . 19377 1 813 . 3 1 9 9 ASP HA H 1 4.58 0.10 . 1 . . . . 9 ASP HA . 19377 1 814 . 3 1 9 9 ASP HB2 H 1 2.68 0.10 . 1 . . . . 9 ASP HB2 . 19377 1 815 . 3 1 9 9 ASP C C 13 174.39 0.20 . 1 . . . . 9 ASP C . 19377 1 816 . 3 1 9 9 ASP CA C 13 54.67 0.25 . 1 . . . . 9 ASP CA . 19377 1 817 . 3 1 9 9 ASP CB C 13 41.40 0.50 . 1 . . . . 9 ASP CB . 19377 1 818 . 3 1 9 9 ASP N N 15 122.39 0.10 . 1 . . . . 9 ASP N . 19377 1 819 . 3 1 10 10 ASN H H 1 7.98 0.01 . 1 . . . . 10 ASN H . 19377 1 820 . 3 1 10 10 ASN C C 13 178.86 0.20 . 1 . . . . 10 ASN C . 19377 1 821 . 3 1 10 10 ASN CA C 13 55.61 0.25 . 1 . . . . 10 ASN CA . 19377 1 822 . 3 1 10 10 ASN CB C 13 41.40 0.50 . 1 . . . . 10 ASN CB . 19377 1 823 . 3 1 10 10 ASN N N 15 125.08 0.10 . 1 . . . . 10 ASN N . 19377 1 stop_ save_