data_27620 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27620 _Entry.Title ; human CYPA/PPIA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-24 _Entry.Accession_date 2018-09-24 _Entry.Last_release_date 2018-09-24 _Entry.Original_release_date 2018-09-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Michal Jewginski . . . . 27620 2 Cameron Mackereth . D. . . 27620 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27620 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 27620 '15N chemical shifts' 157 27620 '1H chemical shifts' 158 27620 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-04-24 2018-09-24 update BMRB 'update entry citation' 27620 1 . . 2018-09-25 2018-09-24 original author 'original release' 27620 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID SP P62937 'Peptidyl-prolyl cis-trans isomerase A' 27620 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27620 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30395443 _Citation.Full_citation . _Citation.Title ; Assessing interactions between helical aromatic oligoamide foldamers and protein surfaces: a tethering approach ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Bioconjug. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 1 _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 54 _Citation.Page_last 62 _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maelle Vallade . . . . 27620 1 2 Michal Jewginski . . . . 27620 1 3 Lucile Fischer . . . . 27620 1 4 Jeremie Buratto . . . . 27620 1 5 Katell Bathany . . . . 27620 1 6 Jean-Marie Schmitter . . . . 27620 1 7 Marine Stupfel . . . . 27620 1 8 Frederic Godde . . . . 27620 1 9 Cameron Mackereth . D. . . 27620 1 10 Ivan Huc . . . . 27620 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27620 _Assembly.ID 1 _Assembly.Name CYPA _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CYPA 1 $CYPA A . yes native no no . . . 27620 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CYPA _Entity.Sf_category entity _Entity.Sf_framecode CYPA _Entity.Entry_ID 27620 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CYPA _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 ; GAMVNPTVFFDIAVDGEPLG RVSFELFADKVPKTAENFRA LSTGEKGFGYKGSCFHRIIP GFMCQGGDFTRHNGTGGKSI YGEKFEDENFILKHTGPGIL SMANAGPNTNGSQFFICTAK TEWLDGKHVVFGKVKEGMNI VEAMERFGSRNGKTSKKITI ADCGQLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The Met at position three is the first residue (Met1) of the native CYPA.' _Entity.Polymer_author_seq_details 'The initial Gly-Ala remains from the cleaved His6-tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 SP P62937 . PPIA . . . . . . . . . . . . . . 27620 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 -1 GLY . 27620 1 2 0 ALA . 27620 1 3 1 MET . 27620 1 4 2 VAL . 27620 1 5 3 ASN . 27620 1 6 4 PRO . 27620 1 7 5 THR . 27620 1 8 6 VAL . 27620 1 9 7 PHE . 27620 1 10 8 PHE . 27620 1 11 9 ASP . 27620 1 12 10 ILE . 27620 1 13 11 ALA . 27620 1 14 12 VAL . 27620 1 15 13 ASP . 27620 1 16 14 GLY . 27620 1 17 15 GLU . 27620 1 18 16 PRO . 27620 1 19 17 LEU . 27620 1 20 18 GLY . 27620 1 21 19 ARG . 27620 1 22 20 VAL . 27620 1 23 21 SER . 27620 1 24 22 PHE . 27620 1 25 23 GLU . 27620 1 26 24 LEU . 27620 1 27 25 PHE . 27620 1 28 26 ALA . 27620 1 29 27 ASP . 27620 1 30 28 LYS . 27620 1 31 29 VAL . 27620 1 32 30 PRO . 27620 1 33 31 LYS . 27620 1 34 32 THR . 27620 1 35 33 ALA . 27620 1 36 34 GLU . 27620 1 37 35 ASN . 27620 1 38 36 PHE . 27620 1 39 37 ARG . 27620 1 40 38 ALA . 27620 1 41 39 LEU . 27620 1 42 40 SER . 27620 1 43 41 THR . 27620 1 44 42 GLY . 27620 1 45 43 GLU . 27620 1 46 44 LYS . 27620 1 47 45 GLY . 27620 1 48 46 PHE . 27620 1 49 47 GLY . 27620 1 50 48 TYR . 27620 1 51 49 LYS . 27620 1 52 50 GLY . 27620 1 53 51 SER . 27620 1 54 52 CYS . 27620 1 55 53 PHE . 27620 1 56 54 HIS . 27620 1 57 55 ARG . 27620 1 58 56 ILE . 27620 1 59 57 ILE . 27620 1 60 58 PRO . 27620 1 61 59 GLY . 27620 1 62 60 PHE . 27620 1 63 61 MET . 27620 1 64 62 CYS . 27620 1 65 63 GLN . 27620 1 66 64 GLY . 27620 1 67 65 GLY . 27620 1 68 66 ASP . 27620 1 69 67 PHE . 27620 1 70 68 THR . 27620 1 71 69 ARG . 27620 1 72 70 HIS . 27620 1 73 71 ASN . 27620 1 74 72 GLY . 27620 1 75 73 THR . 27620 1 76 74 GLY . 27620 1 77 75 GLY . 27620 1 78 76 LYS . 27620 1 79 77 SER . 27620 1 80 78 ILE . 27620 1 81 79 TYR . 27620 1 82 80 GLY . 27620 1 83 81 GLU . 27620 1 84 82 LYS . 27620 1 85 83 PHE . 27620 1 86 84 GLU . 27620 1 87 85 ASP . 27620 1 88 86 GLU . 27620 1 89 87 ASN . 27620 1 90 88 PHE . 27620 1 91 89 ILE . 27620 1 92 90 LEU . 27620 1 93 91 LYS . 27620 1 94 92 HIS . 27620 1 95 93 THR . 27620 1 96 94 GLY . 27620 1 97 95 PRO . 27620 1 98 96 GLY . 27620 1 99 97 ILE . 27620 1 100 98 LEU . 27620 1 101 99 SER . 27620 1 102 100 MET . 27620 1 103 101 ALA . 27620 1 104 102 ASN . 27620 1 105 103 ALA . 27620 1 106 104 GLY . 27620 1 107 105 PRO . 27620 1 108 106 ASN . 27620 1 109 107 THR . 27620 1 110 108 ASN . 27620 1 111 109 GLY . 27620 1 112 110 SER . 27620 1 113 111 GLN . 27620 1 114 112 PHE . 27620 1 115 113 PHE . 27620 1 116 114 ILE . 27620 1 117 115 CYS . 27620 1 118 116 THR . 27620 1 119 117 ALA . 27620 1 120 118 LYS . 27620 1 121 119 THR . 27620 1 122 120 GLU . 27620 1 123 121 TRP . 27620 1 124 122 LEU . 27620 1 125 123 ASP . 27620 1 126 124 GLY . 27620 1 127 125 LYS . 27620 1 128 126 HIS . 27620 1 129 127 VAL . 27620 1 130 128 VAL . 27620 1 131 129 PHE . 27620 1 132 130 GLY . 27620 1 133 131 LYS . 27620 1 134 132 VAL . 27620 1 135 133 LYS . 27620 1 136 134 GLU . 27620 1 137 135 GLY . 27620 1 138 136 MET . 27620 1 139 137 ASN . 27620 1 140 138 ILE . 27620 1 141 139 VAL . 27620 1 142 140 GLU . 27620 1 143 141 ALA . 27620 1 144 142 MET . 27620 1 145 143 GLU . 27620 1 146 144 ARG . 27620 1 147 145 PHE . 27620 1 148 146 GLY . 27620 1 149 147 SER . 27620 1 150 148 ARG . 27620 1 151 149 ASN . 27620 1 152 150 GLY . 27620 1 153 151 LYS . 27620 1 154 152 THR . 27620 1 155 153 SER . 27620 1 156 154 LYS . 27620 1 157 155 LYS . 27620 1 158 156 ILE . 27620 1 159 157 THR . 27620 1 160 158 ILE . 27620 1 161 159 ALA . 27620 1 162 160 ASP . 27620 1 163 161 CYS . 27620 1 164 162 GLY . 27620 1 165 163 GLN . 27620 1 166 164 LEU . 27620 1 167 165 GLU . 27620 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27620 1 . ALA 2 2 27620 1 . MET 3 3 27620 1 . VAL 4 4 27620 1 . ASN 5 5 27620 1 . PRO 6 6 27620 1 . THR 7 7 27620 1 . VAL 8 8 27620 1 . PHE 9 9 27620 1 . PHE 10 10 27620 1 . ASP 11 11 27620 1 . ILE 12 12 27620 1 . ALA 13 13 27620 1 . VAL 14 14 27620 1 . ASP 15 15 27620 1 . GLY 16 16 27620 1 . GLU 17 17 27620 1 . PRO 18 18 27620 1 . LEU 19 19 27620 1 . GLY 20 20 27620 1 . ARG 21 21 27620 1 . VAL 22 22 27620 1 . SER 23 23 27620 1 . PHE 24 24 27620 1 . GLU 25 25 27620 1 . LEU 26 26 27620 1 . PHE 27 27 27620 1 . ALA 28 28 27620 1 . ASP 29 29 27620 1 . LYS 30 30 27620 1 . VAL 31 31 27620 1 . PRO 32 32 27620 1 . LYS 33 33 27620 1 . THR 34 34 27620 1 . ALA 35 35 27620 1 . GLU 36 36 27620 1 . ASN 37 37 27620 1 . PHE 38 38 27620 1 . ARG 39 39 27620 1 . ALA 40 40 27620 1 . LEU 41 41 27620 1 . SER 42 42 27620 1 . THR 43 43 27620 1 . GLY 44 44 27620 1 . GLU 45 45 27620 1 . LYS 46 46 27620 1 . GLY 47 47 27620 1 . PHE 48 48 27620 1 . GLY 49 49 27620 1 . TYR 50 50 27620 1 . LYS 51 51 27620 1 . GLY 52 52 27620 1 . SER 53 53 27620 1 . CYS 54 54 27620 1 . PHE 55 55 27620 1 . HIS 56 56 27620 1 . ARG 57 57 27620 1 . ILE 58 58 27620 1 . ILE 59 59 27620 1 . PRO 60 60 27620 1 . GLY 61 61 27620 1 . PHE 62 62 27620 1 . MET 63 63 27620 1 . CYS 64 64 27620 1 . GLN 65 65 27620 1 . GLY 66 66 27620 1 . GLY 67 67 27620 1 . ASP 68 68 27620 1 . PHE 69 69 27620 1 . THR 70 70 27620 1 . ARG 71 71 27620 1 . HIS 72 72 27620 1 . ASN 73 73 27620 1 . GLY 74 74 27620 1 . THR 75 75 27620 1 . GLY 76 76 27620 1 . GLY 77 77 27620 1 . LYS 78 78 27620 1 . SER 79 79 27620 1 . ILE 80 80 27620 1 . TYR 81 81 27620 1 . GLY 82 82 27620 1 . GLU 83 83 27620 1 . LYS 84 84 27620 1 . PHE 85 85 27620 1 . GLU 86 86 27620 1 . ASP 87 87 27620 1 . GLU 88 88 27620 1 . ASN 89 89 27620 1 . PHE 90 90 27620 1 . ILE 91 91 27620 1 . LEU 92 92 27620 1 . LYS 93 93 27620 1 . HIS 94 94 27620 1 . THR 95 95 27620 1 . GLY 96 96 27620 1 . PRO 97 97 27620 1 . GLY 98 98 27620 1 . ILE 99 99 27620 1 . LEU 100 100 27620 1 . SER 101 101 27620 1 . MET 102 102 27620 1 . ALA 103 103 27620 1 . ASN 104 104 27620 1 . ALA 105 105 27620 1 . GLY 106 106 27620 1 . PRO 107 107 27620 1 . ASN 108 108 27620 1 . THR 109 109 27620 1 . ASN 110 110 27620 1 . GLY 111 111 27620 1 . SER 112 112 27620 1 . GLN 113 113 27620 1 . PHE 114 114 27620 1 . PHE 115 115 27620 1 . ILE 116 116 27620 1 . CYS 117 117 27620 1 . THR 118 118 27620 1 . ALA 119 119 27620 1 . LYS 120 120 27620 1 . THR 121 121 27620 1 . GLU 122 122 27620 1 . TRP 123 123 27620 1 . LEU 124 124 27620 1 . ASP 125 125 27620 1 . GLY 126 126 27620 1 . LYS 127 127 27620 1 . HIS 128 128 27620 1 . VAL 129 129 27620 1 . VAL 130 130 27620 1 . PHE 131 131 27620 1 . GLY 132 132 27620 1 . LYS 133 133 27620 1 . VAL 134 134 27620 1 . LYS 135 135 27620 1 . GLU 136 136 27620 1 . GLY 137 137 27620 1 . MET 138 138 27620 1 . ASN 139 139 27620 1 . ILE 140 140 27620 1 . VAL 141 141 27620 1 . GLU 142 142 27620 1 . ALA 143 143 27620 1 . MET 144 144 27620 1 . GLU 145 145 27620 1 . ARG 146 146 27620 1 . PHE 147 147 27620 1 . GLY 148 148 27620 1 . SER 149 149 27620 1 . ARG 150 150 27620 1 . ASN 151 151 27620 1 . GLY 152 152 27620 1 . LYS 153 153 27620 1 . THR 154 154 27620 1 . SER 155 155 27620 1 . LYS 156 156 27620 1 . LYS 157 157 27620 1 . ILE 158 158 27620 1 . THR 159 159 27620 1 . ILE 160 160 27620 1 . ALA 161 161 27620 1 . ASP 162 162 27620 1 . CYS 163 163 27620 1 . GLY 164 164 27620 1 . GLN 165 165 27620 1 . LEU 166 166 27620 1 . GLU 167 167 27620 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 27620 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CYPA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27620 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 27620 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CYPA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pLysY . . . . pET-His1a . . . 27620 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27620 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-labelled native sequence full-length human cyclophilin A' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CYPA '[U-99% 13C; U-99% 15N]' . . 1 $CYPA . . 600 . . uM . . . . 27620 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 27620 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27620 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 27620 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 27620 _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' 60 . mM 27620 1 pH 7.5 . pH 27620 1 pressure 1 . atm 27620 1 temperature 293 . K 27620 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27620 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27620 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27620 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27620 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27620 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27620 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27620 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27620 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27620 3 'peak picking' 27620 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27620 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm CPTCI 1H-13C/15N/D Z-GRD' _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 27620 _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 . 800 '5 mm CPTCI 1H-13C/15N/D Z-GRD' . . 27620 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 27620 _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 . . . . . . . . . . . . . . . . 27620 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27620 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27620 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27620 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27620 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27620 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 27620 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 27620 1 H 1 water protons . . . . ppm 4.82 internal direct 1 . . . . . 27620 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 27620 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 27620 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 27620 1 2 '3D HNCO' . . . 27620 1 3 '3D HN(CA)CO' . . . 27620 1 4 '3D HNCA' . . . 27620 1 5 '3D HNCACB' . . . 27620 1 6 '3D CBCA(CO)NH' . . . 27620 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.Ambiguity_set_ID _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 3 3 MET H H 1 8.52 0.02 . 1 . . . . . 1 MET H . 27620 1 2 . 1 1 3 3 MET C C 13 175.80 0.2 . 1 . . . . . 1 MET C . 27620 1 3 . 1 1 3 3 MET CA C 13 55.34 0.2 . 1 . . . . . 1 MET CA . 27620 1 4 . 1 1 3 3 MET CB C 13 32.88 0.2 . 1 . . . . . 1 MET CB . 27620 1 5 . 1 1 3 3 MET N N 15 120.54 0.2 . 1 . . . . . 1 MET N . 27620 1 6 . 1 1 4 4 VAL H H 1 8.18 0.02 . 1 . . . . . 2 VAL H . 27620 1 7 . 1 1 4 4 VAL C C 13 175.84 0.2 . 1 . . . . . 2 VAL C . 27620 1 8 . 1 1 4 4 VAL CA C 13 61.38 0.2 . 1 . . . . . 2 VAL CA . 27620 1 9 . 1 1 4 4 VAL CB C 13 33.33 0.2 . 1 . . . . . 2 VAL CB . 27620 1 10 . 1 1 4 4 VAL N N 15 122.16 0.2 . 1 . . . . . 2 VAL N . 27620 1 11 . 1 1 5 5 ASN H H 1 8.67 0.02 . 1 . . . . . 3 ASN H . 27620 1 12 . 1 1 5 5 ASN C C 13 173.99 0.2 . 1 . . . . . 3 ASN C . 27620 1 13 . 1 1 5 5 ASN CA C 13 51.05 0.2 . 1 . . . . . 3 ASN CA . 27620 1 14 . 1 1 5 5 ASN CB C 13 37.72 0.2 . 1 . . . . . 3 ASN CB . 27620 1 15 . 1 1 5 5 ASN N N 15 126.75 0.2 . 1 . . . . . 3 ASN N . 27620 1 16 . 1 1 6 6 PRO C C 13 175.08 0.2 . 1 . . . . . 4 PRO C . 27620 1 17 . 1 1 6 6 PRO CA C 13 62.81 0.2 . 1 . . . . . 4 PRO CA . 27620 1 18 . 1 1 6 6 PRO CB C 13 33.11 0.2 . 1 . . . . . 4 PRO CB . 27620 1 19 . 1 1 7 7 THR H H 1 8.81 0.02 . 1 . . . . . 5 THR H . 27620 1 20 . 1 1 7 7 THR C C 13 175.22 0.2 . 1 . . . . . 5 THR C . 27620 1 21 . 1 1 7 7 THR CA C 13 60.77 0.2 . 1 . . . . . 5 THR CA . 27620 1 22 . 1 1 7 7 THR CB C 13 71.05 0.2 . 1 . . . . . 5 THR CB . 27620 1 23 . 1 1 7 7 THR N N 15 115.12 0.2 . 1 . . . . . 5 THR N . 27620 1 24 . 1 1 8 8 VAL H H 1 8.74 0.02 . 1 . . . . . 6 VAL H . 27620 1 25 . 1 1 8 8 VAL C C 13 173.77 0.2 . 1 . . . . . 6 VAL C . 27620 1 26 . 1 1 8 8 VAL CA C 13 58.61 0.2 . 1 . . . . . 6 VAL CA . 27620 1 27 . 1 1 8 8 VAL CB C 13 35.99 0.2 . 1 . . . . . 6 VAL CB . 27620 1 28 . 1 1 8 8 VAL N N 15 120.19 0.2 . 1 . . . . . 6 VAL N . 27620 1 29 . 1 1 9 9 PHE H H 1 8.98 0.02 . 1 . . . . . 7 PHE H . 27620 1 30 . 1 1 9 9 PHE C C 13 172.63 0.2 . 1 . . . . . 7 PHE C . 27620 1 31 . 1 1 9 9 PHE CA C 13 55.74 0.2 . 1 . . . . . 7 PHE CA . 27620 1 32 . 1 1 9 9 PHE CB C 13 42.92 0.2 . 1 . . . . . 7 PHE CB . 27620 1 33 . 1 1 9 9 PHE N N 15 119.23 0.2 . 1 . . . . . 7 PHE N . 27620 1 34 . 1 1 10 10 PHE H H 1 9.58 0.02 . 1 . . . . . 8 PHE H . 27620 1 35 . 1 1 10 10 PHE C C 13 175.00 0.2 . 1 . . . . . 8 PHE C . 27620 1 36 . 1 1 10 10 PHE CA C 13 53.35 0.2 . 1 . . . . . 8 PHE CA . 27620 1 37 . 1 1 10 10 PHE CB C 13 42.90 0.2 . 1 . . . . . 8 PHE CB . 27620 1 38 . 1 1 10 10 PHE N N 15 117.07 0.2 . 1 . . . . . 8 PHE N . 27620 1 39 . 1 1 11 11 ASP H H 1 9.30 0.02 . 1 . . . . . 9 ASP H . 27620 1 40 . 1 1 11 11 ASP C C 13 175.26 0.2 . 1 . . . . . 9 ASP C . 27620 1 41 . 1 1 11 11 ASP CA C 13 54.68 0.2 . 1 . . . . . 9 ASP CA . 27620 1 42 . 1 1 11 11 ASP CB C 13 41.29 0.2 . 1 . . . . . 9 ASP CB . 27620 1 43 . 1 1 11 11 ASP N N 15 124.38 0.2 . 1 . . . . . 9 ASP N . 27620 1 44 . 1 1 12 12 ILE H H 1 9.07 0.02 . 1 . . . . . 10 ILE H . 27620 1 45 . 1 1 12 12 ILE C C 13 176.06 0.2 . 1 . . . . . 10 ILE C . 27620 1 46 . 1 1 12 12 ILE CA C 13 58.12 0.2 . 1 . . . . . 10 ILE CA . 27620 1 47 . 1 1 12 12 ILE CB C 13 37.59 0.2 . 1 . . . . . 10 ILE CB . 27620 1 48 . 1 1 12 12 ILE N N 15 124.33 0.2 . 1 . . . . . 10 ILE N . 27620 1 49 . 1 1 13 13 ALA H H 1 9.64 0.02 . 1 . . . . . 11 ALA H . 27620 1 50 . 1 1 13 13 ALA C C 13 174.88 0.2 . 1 . . . . . 11 ALA C . 27620 1 51 . 1 1 13 13 ALA CA C 13 50.73 0.2 . 1 . . . . . 11 ALA CA . 27620 1 52 . 1 1 13 13 ALA CB C 13 22.48 0.2 . 1 . . . . . 11 ALA CB . 27620 1 53 . 1 1 13 13 ALA N N 15 132.59 0.2 . 1 . . . . . 11 ALA N . 27620 1 54 . 1 1 14 14 VAL H H 1 8.95 0.02 . 1 . . . . . 12 VAL H . 27620 1 55 . 1 1 14 14 VAL C C 13 176.47 0.2 . 1 . . . . . 12 VAL C . 27620 1 56 . 1 1 14 14 VAL CA C 13 60.49 0.2 . 1 . . . . . 12 VAL CA . 27620 1 57 . 1 1 14 14 VAL CB C 13 33.09 0.2 . 1 . . . . . 12 VAL CB . 27620 1 58 . 1 1 14 14 VAL N N 15 118.60 0.2 . 1 . . . . . 12 VAL N . 27620 1 59 . 1 1 15 15 ASP H H 1 9.88 0.02 . 1 . . . . . 13 ASP H . 27620 1 60 . 1 1 15 15 ASP C C 13 176.13 0.2 . 1 . . . . . 13 ASP C . 27620 1 61 . 1 1 15 15 ASP CA C 13 55.76 0.2 . 1 . . . . . 13 ASP CA . 27620 1 62 . 1 1 15 15 ASP CB C 13 39.76 0.2 . 1 . . . . . 13 ASP CB . 27620 1 63 . 1 1 15 15 ASP N N 15 131.11 0.2 . 1 . . . . . 13 ASP N . 27620 1 64 . 1 1 16 16 GLY H H 1 8.59 0.02 . 1 . . . . . 14 GLY H . 27620 1 65 . 1 1 16 16 GLY C C 13 173.67 0.2 . 1 . . . . . 14 GLY C . 27620 1 66 . 1 1 16 16 GLY CA C 13 45.31 0.2 . 1 . . . . . 14 GLY CA . 27620 1 67 . 1 1 16 16 GLY N N 15 101.80 0.2 . 1 . . . . . 14 GLY N . 27620 1 68 . 1 1 17 17 GLU H H 1 8.07 0.02 . 1 . . . . . 15 GLU H . 27620 1 69 . 1 1 17 17 GLU C C 13 174.47 0.2 . 1 . . . . . 15 GLU C . 27620 1 70 . 1 1 17 17 GLU CA C 13 52.93 0.2 . 1 . . . . . 15 GLU CA . 27620 1 71 . 1 1 17 17 GLU CB C 13 30.34 0.2 . 1 . . . . . 15 GLU CB . 27620 1 72 . 1 1 17 17 GLU N N 15 123.42 0.2 . 1 . . . . . 15 GLU N . 27620 1 73 . 1 1 18 18 PRO C C 13 176.08 0.2 . 1 . . . . . 16 PRO C . 27620 1 74 . 1 1 18 18 PRO CA C 13 64.82 0.2 . 1 . . . . . 16 PRO CA . 27620 1 75 . 1 1 18 18 PRO CB C 13 32.42 0.2 . 1 . . . . . 16 PRO CB . 27620 1 76 . 1 1 19 19 LEU H H 1 9.21 0.02 . 1 . . . . . 17 LEU H . 27620 1 77 . 1 1 19 19 LEU C C 13 175.95 0.2 . 1 . . . . . 17 LEU C . 27620 1 78 . 1 1 19 19 LEU CA C 13 55.48 0.2 . 1 . . . . . 17 LEU CA . 27620 1 79 . 1 1 19 19 LEU CB C 13 44.02 0.2 . 1 . . . . . 17 LEU CB . 27620 1 80 . 1 1 19 19 LEU N N 15 126.18 0.2 . 1 . . . . . 17 LEU N . 27620 1 81 . 1 1 20 20 GLY H H 1 7.26 0.02 . 1 . . . . . 18 GLY H . 27620 1 82 . 1 1 20 20 GLY C C 13 170.00 0.2 . 1 . . . . . 18 GLY C . 27620 1 83 . 1 1 20 20 GLY CA C 13 45.24 0.2 . 1 . . . . . 18 GLY CA . 27620 1 84 . 1 1 20 20 GLY N N 15 102.65 0.2 . 1 . . . . . 18 GLY N . 27620 1 85 . 1 1 21 21 ARG H H 1 8.39 0.02 . 1 . . . . . 19 ARG H . 27620 1 86 . 1 1 21 21 ARG C C 13 174.99 0.2 . 1 . . . . . 19 ARG C . 27620 1 87 . 1 1 21 21 ARG CA C 13 55.01 0.2 . 1 . . . . . 19 ARG CA . 27620 1 88 . 1 1 21 21 ARG CB C 13 33.33 0.2 . 1 . . . . . 19 ARG CB . 27620 1 89 . 1 1 21 21 ARG N N 15 121.32 0.2 . 1 . . . . . 19 ARG N . 27620 1 90 . 1 1 22 22 VAL H H 1 9.40 0.02 . 1 . . . . . 20 VAL H . 27620 1 91 . 1 1 22 22 VAL C C 13 173.84 0.2 . 1 . . . . . 20 VAL C . 27620 1 92 . 1 1 22 22 VAL CA C 13 60.02 0.2 . 1 . . . . . 20 VAL CA . 27620 1 93 . 1 1 22 22 VAL CB C 13 34.78 0.2 . 1 . . . . . 20 VAL CB . 27620 1 94 . 1 1 22 22 VAL N N 15 127.01 0.2 . 1 . . . . . 20 VAL N . 27620 1 95 . 1 1 23 23 SER H H 1 8.80 0.02 . 1 . . . . . 21 SER H . 27620 1 96 . 1 1 23 23 SER C C 13 173.74 0.2 . 1 . . . . . 21 SER C . 27620 1 97 . 1 1 23 23 SER CA C 13 55.37 0.2 . 1 . . . . . 21 SER CA . 27620 1 98 . 1 1 23 23 SER CB C 13 66.61 0.2 . 1 . . . . . 21 SER CB . 27620 1 99 . 1 1 23 23 SER N N 15 120.44 0.2 . 1 . . . . . 21 SER N . 27620 1 100 . 1 1 24 24 PHE H H 1 9.53 0.02 . 1 . . . . . 22 PHE H . 27620 1 101 . 1 1 24 24 PHE C C 13 175.20 0.2 . 1 . . . . . 22 PHE C . 27620 1 102 . 1 1 24 24 PHE CA C 13 55.80 0.2 . 1 . . . . . 22 PHE CA . 27620 1 103 . 1 1 24 24 PHE CB C 13 42.53 0.2 . 1 . . . . . 22 PHE CB . 27620 1 104 . 1 1 24 24 PHE N N 15 119.01 0.2 . 1 . . . . . 22 PHE N . 27620 1 105 . 1 1 25 25 GLU H H 1 8.74 0.02 . 1 . . . . . 23 GLU H . 27620 1 106 . 1 1 25 25 GLU C C 13 174.74 0.2 . 1 . . . . . 23 GLU C . 27620 1 107 . 1 1 25 25 GLU CA C 13 55.23 0.2 . 1 . . . . . 23 GLU CA . 27620 1 108 . 1 1 25 25 GLU CB C 13 31.62 0.2 . 1 . . . . . 23 GLU CB . 27620 1 109 . 1 1 25 25 GLU N N 15 123.28 0.2 . 1 . . . . . 23 GLU N . 27620 1 110 . 1 1 26 26 LEU H H 1 8.20 0.02 . 1 . . . . . 24 LEU H . 27620 1 111 . 1 1 26 26 LEU C C 13 177.18 0.2 . 1 . . . . . 24 LEU C . 27620 1 112 . 1 1 26 26 LEU CA C 13 51.75 0.2 . 1 . . . . . 24 LEU CA . 27620 1 113 . 1 1 26 26 LEU CB C 13 43.03 0.2 . 1 . . . . . 24 LEU CB . 27620 1 114 . 1 1 26 26 LEU N N 15 122.68 0.2 . 1 . . . . . 24 LEU N . 27620 1 115 . 1 1 27 27 PHE H H 1 8.86 0.02 . 1 . . . . . 25 PHE H . 27620 1 116 . 1 1 27 27 PHE C C 13 176.46 0.2 . 1 . . . . . 25 PHE C . 27620 1 117 . 1 1 27 27 PHE CA C 13 54.36 0.2 . 1 . . . . . 25 PHE CA . 27620 1 118 . 1 1 27 27 PHE CB C 13 35.93 0.2 . 1 . . . . . 25 PHE CB . 27620 1 119 . 1 1 27 27 PHE N N 15 124.89 0.2 . 1 . . . . . 25 PHE N . 27620 1 120 . 1 1 28 28 ALA H H 1 8.47 0.02 . 1 . . . . . 26 ALA H . 27620 1 121 . 1 1 28 28 ALA C C 13 176.31 0.2 . 1 . . . . . 26 ALA C . 27620 1 122 . 1 1 28 28 ALA CA C 13 54.40 0.2 . 1 . . . . . 26 ALA CA . 27620 1 123 . 1 1 28 28 ALA CB C 13 18.65 0.2 . 1 . . . . . 26 ALA CB . 27620 1 124 . 1 1 28 28 ALA N N 15 129.21 0.2 . 1 . . . . . 26 ALA N . 27620 1 125 . 1 1 29 29 ASP H H 1 9.07 0.02 . 1 . . . . . 27 ASP H . 27620 1 126 . 1 1 29 29 ASP C C 13 176.94 0.2 . 1 . . . . . 27 ASP C . 27620 1 127 . 1 1 29 29 ASP CA C 13 55.38 0.2 . 1 . . . . . 27 ASP CA . 27620 1 128 . 1 1 29 29 ASP CB C 13 38.80 0.2 . 1 . . . . . 27 ASP CB . 27620 1 129 . 1 1 29 29 ASP N N 15 114.48 0.2 . 1 . . . . . 27 ASP N . 27620 1 130 . 1 1 30 30 LYS H H 1 7.55 0.02 . 1 . . . . . 28 LYS H . 27620 1 131 . 1 1 30 30 LYS C C 13 176.85 0.2 . 1 . . . . . 28 LYS C . 27620 1 132 . 1 1 30 30 LYS CA C 13 56.23 0.2 . 1 . . . . . 28 LYS CA . 27620 1 133 . 1 1 30 30 LYS CB C 13 35.79 0.2 . 1 . . . . . 28 LYS CB . 27620 1 134 . 1 1 30 30 LYS N N 15 118.50 0.2 . 1 . . . . . 28 LYS N . 27620 1 135 . 1 1 31 31 VAL H H 1 8.40 0.02 . 1 . . . . . 29 VAL H . 27620 1 136 . 1 1 31 31 VAL HA H 1 4.48 0.02 . 1 . . . . . 29 VAL HA . 27620 1 137 . 1 1 31 31 VAL C C 13 172.22 0.2 . 1 . . . . . 29 VAL C . 27620 1 138 . 1 1 31 31 VAL CA C 13 58.18 0.2 . 1 . . . . . 29 VAL CA . 27620 1 139 . 1 1 31 31 VAL CB C 13 31.69 0.2 . 1 . . . . . 29 VAL CB . 27620 1 140 . 1 1 31 31 VAL N N 15 114.84 0.2 . 1 . . . . . 29 VAL N . 27620 1 141 . 1 1 32 32 PRO C C 13 180.91 0.2 . 1 . . . . . 30 PRO C . 27620 1 142 . 1 1 32 32 PRO CA C 13 66.31 0.2 . 1 . . . . . 30 PRO CA . 27620 1 143 . 1 1 32 32 PRO CB C 13 31.72 0.2 . 1 . . . . . 30 PRO CB . 27620 1 144 . 1 1 33 33 LYS H H 1 10.69 0.02 . 1 . . . . . 31 LYS H . 27620 1 145 . 1 1 33 33 LYS C C 13 181.82 0.2 . 1 . . . . . 31 LYS C . 27620 1 146 . 1 1 33 33 LYS CA C 13 60.48 0.2 . 1 . . . . . 31 LYS CA . 27620 1 147 . 1 1 33 33 LYS CB C 13 32.30 0.2 . 1 . . . . . 31 LYS CB . 27620 1 148 . 1 1 33 33 LYS N N 15 123.97 0.2 . 1 . . . . . 31 LYS N . 27620 1 149 . 1 1 34 34 THR H H 1 10.31 0.02 . 1 . . . . . 32 THR H . 27620 1 150 . 1 1 34 34 THR C C 13 177.65 0.2 . 1 . . . . . 32 THR C . 27620 1 151 . 1 1 34 34 THR CA C 13 67.52 0.2 . 1 . . . . . 32 THR CA . 27620 1 152 . 1 1 34 34 THR CB C 13 68.86 0.2 . 1 . . . . . 32 THR CB . 27620 1 153 . 1 1 34 34 THR N N 15 124.21 0.2 . 1 . . . . . 32 THR N . 27620 1 154 . 1 1 35 35 ALA H H 1 9.31 0.02 . 1 . . . . . 33 ALA H . 27620 1 155 . 1 1 35 35 ALA C C 13 178.15 0.2 . 1 . . . . . 33 ALA C . 27620 1 156 . 1 1 35 35 ALA CA C 13 55.92 0.2 . 1 . . . . . 33 ALA CA . 27620 1 157 . 1 1 35 35 ALA CB C 13 18.13 0.2 . 1 . . . . . 33 ALA CB . 27620 1 158 . 1 1 35 35 ALA N N 15 125.82 0.2 . 1 . . . . . 33 ALA N . 27620 1 159 . 1 1 36 36 GLU H H 1 8.04 0.02 . 1 . . . . . 34 GLU H . 27620 1 160 . 1 1 36 36 GLU C C 13 177.38 0.2 . 1 . . . . . 34 GLU C . 27620 1 161 . 1 1 36 36 GLU CA C 13 57.90 0.2 . 1 . . . . . 34 GLU CA . 27620 1 162 . 1 1 36 36 GLU CB C 13 27.91 0.2 . 1 . . . . . 34 GLU CB . 27620 1 163 . 1 1 36 36 GLU N N 15 117.35 0.2 . 1 . . . . . 34 GLU N . 27620 1 164 . 1 1 37 37 ASN H H 1 7.14 0.02 . 1 . . . . . 35 ASN H . 27620 1 165 . 1 1 37 37 ASN C C 13 174.56 0.2 . 1 . . . . . 35 ASN C . 27620 1 166 . 1 1 37 37 ASN CA C 13 56.75 0.2 . 1 . . . . . 35 ASN CA . 27620 1 167 . 1 1 37 37 ASN CB C 13 39.50 0.2 . 1 . . . . . 35 ASN CB . 27620 1 168 . 1 1 37 37 ASN N N 15 115.70 0.2 . 1 . . . . . 35 ASN N . 27620 1 169 . 1 1 38 38 PHE H H 1 7.03 0.02 . 1 . . . . . 36 PHE H . 27620 1 170 . 1 1 38 38 PHE C C 13 178.71 0.2 . 1 . . . . . 36 PHE C . 27620 1 171 . 1 1 38 38 PHE CA C 13 61.46 0.2 . 1 . . . . . 36 PHE CA . 27620 1 172 . 1 1 38 38 PHE CB C 13 40.02 0.2 . 1 . . . . . 36 PHE CB . 27620 1 173 . 1 1 38 38 PHE N N 15 118.06 0.2 . 1 . . . . . 36 PHE N . 27620 1 174 . 1 1 39 39 ARG H H 1 8.96 0.02 . 1 . . . . . 37 ARG H . 27620 1 175 . 1 1 39 39 ARG C C 13 177.94 0.2 . 1 . . . . . 37 ARG C . 27620 1 176 . 1 1 39 39 ARG CA C 13 60.47 0.2 . 1 . . . . . 37 ARG CA . 27620 1 177 . 1 1 39 39 ARG CB C 13 29.87 0.2 . 1 . . . . . 37 ARG CB . 27620 1 178 . 1 1 39 39 ARG N N 15 121.22 0.2 . 1 . . . . . 37 ARG N . 27620 1 179 . 1 1 40 40 ALA H H 1 8.70 0.02 . 1 . . . . . 38 ALA H . 27620 1 180 . 1 1 40 40 ALA C C 13 182.37 0.2 . 1 . . . . . 38 ALA C . 27620 1 181 . 1 1 40 40 ALA CA C 13 54.39 0.2 . 1 . . . . . 38 ALA CA . 27620 1 182 . 1 1 40 40 ALA CB C 13 18.21 0.2 . 1 . . . . . 38 ALA CB . 27620 1 183 . 1 1 40 40 ALA N N 15 119.20 0.2 . 1 . . . . . 38 ALA N . 27620 1 184 . 1 1 41 41 LEU H H 1 8.21 0.02 . 1 . . . . . 39 LEU H . 27620 1 185 . 1 1 41 41 LEU C C 13 179.50 0.2 . 1 . . . . . 39 LEU C . 27620 1 186 . 1 1 41 41 LEU CA C 13 57.25 0.2 . 1 . . . . . 39 LEU CA . 27620 1 187 . 1 1 41 41 LEU CB C 13 41.02 0.2 . 1 . . . . . 39 LEU CB . 27620 1 188 . 1 1 41 41 LEU N N 15 120.87 0.2 . 1 . . . . . 39 LEU N . 27620 1 189 . 1 1 42 42 SER H H 1 7.90 0.02 . 1 . . . . . 40 SER H . 27620 1 190 . 1 1 42 42 SER C C 13 174.40 0.2 . 1 . . . . . 40 SER C . 27620 1 191 . 1 1 42 42 SER CA C 13 63.37 0.2 . 1 . . . . . 40 SER CA . 27620 1 192 . 1 1 42 42 SER CB C 13 62.92 0.2 . 1 . . . . . 40 SER CB . 27620 1 193 . 1 1 42 42 SER N N 15 119.45 0.2 . 1 . . . . . 40 SER N . 27620 1 194 . 1 1 43 43 THR H H 1 7.99 0.02 . 1 . . . . . 41 THR H . 27620 1 195 . 1 1 43 43 THR C C 13 178.13 0.2 . 1 . . . . . 41 THR C . 27620 1 196 . 1 1 43 43 THR CA C 13 62.85 0.2 . 1 . . . . . 41 THR CA . 27620 1 197 . 1 1 43 43 THR CB C 13 69.56 0.2 . 1 . . . . . 41 THR CB . 27620 1 198 . 1 1 43 43 THR N N 15 108.56 0.2 . 1 . . . . . 41 THR N . 27620 1 199 . 1 1 44 44 GLY H H 1 7.59 0.02 . 1 . . . . . 42 GLY H . 27620 1 200 . 1 1 44 44 GLY C C 13 177.69 0.2 . 1 . . . . . 42 GLY C . 27620 1 201 . 1 1 44 44 GLY CA C 13 45.78 0.2 . 1 . . . . . 42 GLY CA . 27620 1 202 . 1 1 44 44 GLY N N 15 108.42 0.2 . 1 . . . . . 42 GLY N . 27620 1 203 . 1 1 45 45 GLU H H 1 8.03 0.02 . 1 . . . . . 43 GLU H . 27620 1 204 . 1 1 45 45 GLU C C 13 176.50 0.2 . 1 . . . . . 43 GLU C . 27620 1 205 . 1 1 45 45 GLU CA C 13 58.55 0.2 . 1 . . . . . 43 GLU CA . 27620 1 206 . 1 1 45 45 GLU CB C 13 30.01 0.2 . 1 . . . . . 43 GLU CB . 27620 1 207 . 1 1 45 45 GLU N N 15 118.75 0.2 . 1 . . . . . 43 GLU N . 27620 1 208 . 1 1 46 46 LYS H H 1 9.14 0.02 . 1 . . . . . 44 LYS H . 27620 1 209 . 1 1 46 46 LYS C C 13 176.59 0.2 . 1 . . . . . 44 LYS C . 27620 1 210 . 1 1 46 46 LYS CA C 13 54.28 0.2 . 1 . . . . . 44 LYS CA . 27620 1 211 . 1 1 46 46 LYS CB C 13 30.26 0.2 . 1 . . . . . 44 LYS CB . 27620 1 212 . 1 1 46 46 LYS N N 15 118.61 0.2 . 1 . . . . . 44 LYS N . 27620 1 213 . 1 1 47 47 GLY H H 1 7.96 0.02 . 1 . . . . . 45 GLY H . 27620 1 214 . 1 1 47 47 GLY C C 13 172.52 0.2 . 1 . . . . . 45 GLY C . 27620 1 215 . 1 1 47 47 GLY CA C 13 44.63 0.2 . 1 . . . . . 45 GLY CA . 27620 1 216 . 1 1 47 47 GLY N N 15 105.70 0.2 . 1 . . . . . 45 GLY N . 27620 1 217 . 1 1 48 48 PHE H H 1 6.43 0.02 . 1 . . . . . 46 PHE H . 27620 1 218 . 1 1 48 48 PHE C C 13 172.69 0.2 . 1 . . . . . 46 PHE C . 27620 1 219 . 1 1 48 48 PHE CA C 13 54.03 0.2 . 1 . . . . . 46 PHE CA . 27620 1 220 . 1 1 48 48 PHE CB C 13 39.55 0.2 . 1 . . . . . 46 PHE CB . 27620 1 221 . 1 1 48 48 PHE N N 15 113.82 0.2 . 1 . . . . . 46 PHE N . 27620 1 222 . 1 1 49 49 GLY H H 1 7.77 0.02 . 1 . . . . . 47 GLY H . 27620 1 223 . 1 1 49 49 GLY C C 13 171.45 0.2 . 1 . . . . . 47 GLY C . 27620 1 224 . 1 1 49 49 GLY CA C 13 45.53 0.2 . 1 . . . . . 47 GLY CA . 27620 1 225 . 1 1 49 49 GLY N N 15 104.79 0.2 . 1 . . . . . 47 GLY N . 27620 1 226 . 1 1 50 50 TYR H H 1 6.91 0.02 . 1 . . . . . 48 TYR H . 27620 1 227 . 1 1 50 50 TYR C C 13 178.00 0.2 . 1 . . . . . 48 TYR C . 27620 1 228 . 1 1 50 50 TYR CA C 13 57.16 0.2 . 1 . . . . . 48 TYR CA . 27620 1 229 . 1 1 50 50 TYR CB C 13 38.41 0.2 . 1 . . . . . 48 TYR CB . 27620 1 230 . 1 1 50 50 TYR N N 15 113.86 0.2 . 1 . . . . . 48 TYR N . 27620 1 231 . 1 1 51 51 LYS H H 1 8.50 0.02 . 1 . . . . . 49 LYS H . 27620 1 232 . 1 1 51 51 LYS C C 13 177.46 0.2 . 1 . . . . . 49 LYS C . 27620 1 233 . 1 1 51 51 LYS CA C 13 61.12 0.2 . 1 . . . . . 49 LYS CA . 27620 1 234 . 1 1 51 51 LYS CB C 13 31.22 0.2 . 1 . . . . . 49 LYS CB . 27620 1 235 . 1 1 51 51 LYS N N 15 125.10 0.2 . 1 . . . . . 49 LYS N . 27620 1 236 . 1 1 52 52 GLY H H 1 9.51 0.02 . 1 . . . . . 50 GLY H . 27620 1 237 . 1 1 52 52 GLY C C 13 174.30 0.2 . 1 . . . . . 50 GLY C . 27620 1 238 . 1 1 52 52 GLY CA C 13 45.27 0.2 . 1 . . . . . 50 GLY CA . 27620 1 239 . 1 1 52 52 GLY N N 15 118.09 0.2 . 1 . . . . . 50 GLY N . 27620 1 240 . 1 1 53 53 SER H H 1 8.40 0.02 . 1 . . . . . 51 SER H . 27620 1 241 . 1 1 53 53 SER C C 13 171.72 0.2 . 1 . . . . . 51 SER C . 27620 1 242 . 1 1 53 53 SER CA C 13 58.91 0.2 . 1 . . . . . 51 SER CA . 27620 1 243 . 1 1 53 53 SER CB C 13 64.73 0.2 . 1 . . . . . 51 SER CB . 27620 1 244 . 1 1 53 53 SER N N 15 116.55 0.2 . 1 . . . . . 51 SER N . 27620 1 245 . 1 1 54 54 CYS H H 1 10.08 0.02 . 1 . . . . . 52 CYS H . 27620 1 246 . 1 1 54 54 CYS C C 13 176.44 0.2 . 1 . . . . . 52 CYS C . 27620 1 247 . 1 1 54 54 CYS CA C 13 56.07 0.2 . 1 . . . . . 52 CYS CA . 27620 1 248 . 1 1 54 54 CYS CB C 13 32.04 0.2 . 1 . . . . . 52 CYS CB . 27620 1 249 . 1 1 54 54 CYS N N 15 115.36 0.2 . 1 . . . . . 52 CYS N . 27620 1 250 . 1 1 55 55 PHE H H 1 8.73 0.02 . 1 . . . . . 53 PHE H . 27620 1 251 . 1 1 55 55 PHE C C 13 174.88 0.2 . 1 . . . . . 53 PHE C . 27620 1 252 . 1 1 55 55 PHE CA C 13 58.10 0.2 . 1 . . . . . 53 PHE CA . 27620 1 253 . 1 1 55 55 PHE CB C 13 38.80 0.2 . 1 . . . . . 53 PHE CB . 27620 1 254 . 1 1 55 55 PHE N N 15 123.18 0.2 . 1 . . . . . 53 PHE N . 27620 1 255 . 1 1 56 56 HIS H H 1 7.60 0.02 . 1 . . . . . 54 HIS H . 27620 1 256 . 1 1 56 56 HIS C C 13 175.45 0.2 . 1 . . . . . 54 HIS C . 27620 1 257 . 1 1 56 56 HIS CA C 13 57.14 0.2 . 1 . . . . . 54 HIS CA . 27620 1 258 . 1 1 56 56 HIS CB C 13 31.52 0.2 . 1 . . . . . 54 HIS CB . 27620 1 259 . 1 1 56 56 HIS N N 15 120.47 0.2 . 1 . . . . . 54 HIS N . 27620 1 260 . 1 1 57 57 ARG H H 1 7.05 0.02 . 1 . . . . . 55 ARG H . 27620 1 261 . 1 1 57 57 ARG C C 13 173.44 0.2 . 1 . . . . . 55 ARG C . 27620 1 262 . 1 1 57 57 ARG CA C 13 54.80 0.2 . 1 . . . . . 55 ARG CA . 27620 1 263 . 1 1 57 57 ARG CB C 13 33.49 0.2 . 1 . . . . . 55 ARG CB . 27620 1 264 . 1 1 57 57 ARG N N 15 123.36 0.2 . 1 . . . . . 55 ARG N . 27620 1 265 . 1 1 58 58 ILE H H 1 9.21 0.02 . 1 . . . . . 56 ILE H . 27620 1 266 . 1 1 58 58 ILE C C 13 173.58 0.2 . 1 . . . . . 56 ILE C . 27620 1 267 . 1 1 58 58 ILE CA C 13 61.61 0.2 . 1 . . . . . 56 ILE CA . 27620 1 268 . 1 1 58 58 ILE CB C 13 41.48 0.2 . 1 . . . . . 56 ILE CB . 27620 1 269 . 1 1 58 58 ILE N N 15 126.57 0.2 . 1 . . . . . 56 ILE N . 27620 1 270 . 1 1 59 59 ILE H H 1 8.73 0.02 . 1 . . . . . 57 ILE H . 27620 1 271 . 1 1 59 59 ILE C C 13 173.70 0.2 . 1 . . . . . 57 ILE C . 27620 1 272 . 1 1 59 59 ILE CA C 13 57.70 0.2 . 1 . . . . . 57 ILE CA . 27620 1 273 . 1 1 59 59 ILE CB C 13 40.54 0.2 . 1 . . . . . 57 ILE CB . 27620 1 274 . 1 1 59 59 ILE N N 15 128.07 0.2 . 1 . . . . . 57 ILE N . 27620 1 275 . 1 1 60 60 PRO C C 13 177.71 0.2 . 1 . . . . . 58 PRO C . 27620 1 276 . 1 1 60 60 PRO CA C 13 62.99 0.2 . 1 . . . . . 58 PRO CA . 27620 1 277 . 1 1 60 60 PRO CB C 13 31.97 0.2 . 1 . . . . . 58 PRO CB . 27620 1 278 . 1 1 61 61 GLY H H 1 9.77 0.02 . 1 . . . . . 59 GLY H . 27620 1 279 . 1 1 61 61 GLY C C 13 172.29 0.2 . 1 . . . . . 59 GLY C . 27620 1 280 . 1 1 61 61 GLY CA C 13 45.03 0.2 . 1 . . . . . 59 GLY CA . 27620 1 281 . 1 1 61 61 GLY N N 15 114.41 0.2 . 1 . . . . . 59 GLY N . 27620 1 282 . 1 1 62 62 PHE H H 1 8.19 0.02 . 1 . . . . . 60 PHE H . 27620 1 283 . 1 1 62 62 PHE C C 13 173.42 0.2 . 1 . . . . . 60 PHE C . 27620 1 284 . 1 1 62 62 PHE CA C 13 56.93 0.2 . 1 . . . . . 60 PHE CA . 27620 1 285 . 1 1 62 62 PHE CB C 13 39.77 0.2 . 1 . . . . . 60 PHE CB . 27620 1 286 . 1 1 62 62 PHE N N 15 119.48 0.2 . 1 . . . . . 60 PHE N . 27620 1 287 . 1 1 63 63 MET H H 1 8.09 0.02 . 1 . . . . . 61 MET H . 27620 1 288 . 1 1 63 63 MET C C 13 174.17 0.2 . 1 . . . . . 61 MET C . 27620 1 289 . 1 1 63 63 MET CA C 13 55.05 0.2 . 1 . . . . . 61 MET CA . 27620 1 290 . 1 1 63 63 MET CB C 13 34.63 0.2 . 1 . . . . . 61 MET CB . 27620 1 291 . 1 1 63 63 MET N N 15 111.25 0.2 . 1 . . . . . 61 MET N . 27620 1 292 . 1 1 64 64 CYS H H 1 8.49 0.02 . 1 . . . . . 62 CYS H . 27620 1 293 . 1 1 64 64 CYS C C 13 173.08 0.2 . 1 . . . . . 62 CYS C . 27620 1 294 . 1 1 64 64 CYS CA C 13 57.55 0.2 . 1 . . . . . 62 CYS CA . 27620 1 295 . 1 1 64 64 CYS CB C 13 30.20 0.2 . 1 . . . . . 62 CYS CB . 27620 1 296 . 1 1 64 64 CYS N N 15 114.88 0.2 . 1 . . . . . 62 CYS N . 27620 1 297 . 1 1 65 65 GLN H H 1 9.66 0.02 . 1 . . . . . 63 GLN H . 27620 1 298 . 1 1 65 65 GLN C C 13 174.00 0.2 . 1 . . . . . 63 GLN C . 27620 1 299 . 1 1 65 65 GLN CA C 13 54.60 0.2 . 1 . . . . . 63 GLN CA . 27620 1 300 . 1 1 65 65 GLN CB C 13 30.43 0.2 . 1 . . . . . 63 GLN CB . 27620 1 301 . 1 1 65 65 GLN N N 15 126.80 0.2 . 1 . . . . . 63 GLN N . 27620 1 302 . 1 1 66 66 GLY H H 1 7.36 0.02 . 1 . . . . . 64 GLY H . 27620 1 303 . 1 1 66 66 GLY C C 13 173.33 0.2 . 1 . . . . . 64 GLY C . 27620 1 304 . 1 1 66 66 GLY CA C 13 44.62 0.2 . 1 . . . . . 64 GLY CA . 27620 1 305 . 1 1 66 66 GLY N N 15 110.94 0.2 . 1 . . . . . 64 GLY N . 27620 1 306 . 1 1 67 67 GLY H H 1 9.41 0.02 . 1 . . . . . 65 GLY H . 27620 1 307 . 1 1 67 67 GLY C C 13 175.24 0.2 . 1 . . . . . 65 GLY C . 27620 1 308 . 1 1 67 67 GLY CA C 13 46.65 0.2 . 1 . . . . . 65 GLY CA . 27620 1 309 . 1 1 67 67 GLY N N 15 106.22 0.2 . 1 . . . . . 65 GLY N . 27620 1 310 . 1 1 68 68 ASP H H 1 9.99 0.02 . 1 . . . . . 66 ASP H . 27620 1 311 . 1 1 68 68 ASP C C 13 176.16 0.2 . 1 . . . . . 66 ASP C . 27620 1 312 . 1 1 68 68 ASP CA C 13 51.61 0.2 . 1 . . . . . 66 ASP CA . 27620 1 313 . 1 1 68 68 ASP CB C 13 38.61 0.2 . 1 . . . . . 66 ASP CB . 27620 1 314 . 1 1 68 68 ASP N N 15 124.15 0.2 . 1 . . . . . 66 ASP N . 27620 1 315 . 1 1 69 69 PHE H H 1 6.64 0.02 . 1 . . . . . 67 PHE H . 27620 1 316 . 1 1 69 69 PHE C C 13 174.08 0.2 . 1 . . . . . 67 PHE C . 27620 1 317 . 1 1 69 69 PHE CA C 13 56.09 0.2 . 1 . . . . . 67 PHE CA . 27620 1 318 . 1 1 69 69 PHE CB C 13 39.23 0.2 . 1 . . . . . 67 PHE CB . 27620 1 319 . 1 1 69 69 PHE N N 15 116.06 0.2 . 1 . . . . . 67 PHE N . 27620 1 320 . 1 1 70 70 THR H H 1 7.28 0.02 . 1 . . . . . 68 THR H . 27620 1 321 . 1 1 70 70 THR C C 13 175.62 0.2 . 1 . . . . . 68 THR C . 27620 1 322 . 1 1 70 70 THR CA C 13 61.88 0.2 . 1 . . . . . 68 THR CA . 27620 1 323 . 1 1 70 70 THR CB C 13 68.94 0.2 . 1 . . . . . 68 THR CB . 27620 1 324 . 1 1 70 70 THR N N 15 108.95 0.2 . 1 . . . . . 68 THR N . 27620 1 325 . 1 1 71 71 ARG H H 1 8.67 0.02 . 1 . . . . . 69 ARG H . 27620 1 326 . 1 1 71 71 ARG C C 13 176.22 0.2 . 1 . . . . . 69 ARG C . 27620 1 327 . 1 1 71 71 ARG CA C 13 55.11 0.2 . 1 . . . . . 69 ARG CA . 27620 1 328 . 1 1 71 71 ARG CB C 13 31.69 0.2 . 1 . . . . . 69 ARG CB . 27620 1 329 . 1 1 71 71 ARG N N 15 122.13 0.2 . 1 . . . . . 69 ARG N . 27620 1 330 . 1 1 72 72 HIS C C 13 174.39 0.2 . 1 . . . . . 70 HIS C . 27620 1 331 . 1 1 72 72 HIS CA C 13 56.93 0.2 . 1 . . . . . 70 HIS CA . 27620 1 332 . 1 1 72 72 HIS CB C 13 28.68 0.2 . 1 . . . . . 70 HIS CB . 27620 1 333 . 1 1 73 73 ASN H H 1 7.50 0.02 . 1 . . . . . 71 ASN H . 27620 1 334 . 1 1 73 73 ASN C C 13 175.86 0.2 . 1 . . . . . 71 ASN C . 27620 1 335 . 1 1 73 73 ASN CA C 13 52.34 0.2 . 1 . . . . . 71 ASN CA . 27620 1 336 . 1 1 73 73 ASN CB C 13 38.81 0.2 . 1 . . . . . 71 ASN CB . 27620 1 337 . 1 1 73 73 ASN N N 15 112.49 0.2 . 1 . . . . . 71 ASN N . 27620 1 338 . 1 1 74 74 GLY H H 1 9.71 0.02 . 1 . . . . . 72 GLY H . 27620 1 339 . 1 1 74 74 GLY C C 13 175.74 0.2 . 1 . . . . . 72 GLY C . 27620 1 340 . 1 1 74 74 GLY CA C 13 44.86 0.2 . 1 . . . . . 72 GLY CA . 27620 1 341 . 1 1 74 74 GLY N N 15 110.81 0.2 . 1 . . . . . 72 GLY N . 27620 1 342 . 1 1 75 75 THR H H 1 7.94 0.02 . 1 . . . . . 73 THR H . 27620 1 343 . 1 1 75 75 THR C C 13 175.91 0.2 . 1 . . . . . 73 THR C . 27620 1 344 . 1 1 75 75 THR CA C 13 62.30 0.2 . 1 . . . . . 73 THR CA . 27620 1 345 . 1 1 75 75 THR CB C 13 70.63 0.2 . 1 . . . . . 73 THR CB . 27620 1 346 . 1 1 75 75 THR N N 15 112.25 0.2 . 1 . . . . . 73 THR N . 27620 1 347 . 1 1 76 76 GLY H H 1 8.73 0.02 . 1 . . . . . 74 GLY H . 27620 1 348 . 1 1 76 76 GLY C C 13 175.22 0.2 . 1 . . . . . 74 GLY C . 27620 1 349 . 1 1 76 76 GLY CA C 13 45.07 0.2 . 1 . . . . . 74 GLY CA . 27620 1 350 . 1 1 76 76 GLY N N 15 114.16 0.2 . 1 . . . . . 74 GLY N . 27620 1 351 . 1 1 77 77 GLY H H 1 8.13 0.02 . 1 . . . . . 75 GLY H . 27620 1 352 . 1 1 77 77 GLY C C 13 172.07 0.2 . 1 . . . . . 75 GLY C . 27620 1 353 . 1 1 77 77 GLY CA C 13 43.08 0.2 . 1 . . . . . 75 GLY CA . 27620 1 354 . 1 1 77 77 GLY N N 15 109.11 0.2 . 1 . . . . . 75 GLY N . 27620 1 355 . 1 1 78 78 LYS H H 1 7.00 0.02 . 1 . . . . . 76 LYS H . 27620 1 356 . 1 1 78 78 LYS C C 13 172.43 0.2 . 1 . . . . . 76 LYS C . 27620 1 357 . 1 1 78 78 LYS CA C 13 55.88 0.2 . 1 . . . . . 76 LYS CA . 27620 1 358 . 1 1 78 78 LYS CB C 13 34.42 0.2 . 1 . . . . . 76 LYS CB . 27620 1 359 . 1 1 78 78 LYS N N 15 115.47 0.2 . 1 . . . . . 76 LYS N . 27620 1 360 . 1 1 79 79 SER H H 1 7.72 0.02 . 1 . . . . . 77 SER H . 27620 1 361 . 1 1 79 79 SER C C 13 175.73 0.2 . 1 . . . . . 77 SER C . 27620 1 362 . 1 1 79 79 SER CA C 13 57.01 0.2 . 1 . . . . . 77 SER CA . 27620 1 363 . 1 1 79 79 SER CB C 13 69.60 0.2 . 1 . . . . . 77 SER CB . 27620 1 364 . 1 1 79 79 SER N N 15 114.39 0.2 . 1 . . . . . 77 SER N . 27620 1 365 . 1 1 80 80 ILE H H 1 8.58 0.02 . 1 . . . . . 78 ILE H . 27620 1 366 . 1 1 80 80 ILE C C 13 175.95 0.2 . 1 . . . . . 78 ILE C . 27620 1 367 . 1 1 80 80 ILE CA C 13 63.77 0.2 . 1 . . . . . 78 ILE CA . 27620 1 368 . 1 1 80 80 ILE CB C 13 37.18 0.2 . 1 . . . . . 78 ILE CB . 27620 1 369 . 1 1 80 80 ILE N N 15 111.38 0.2 . 1 . . . . . 78 ILE N . 27620 1 370 . 1 1 81 81 TYR H H 1 8.07 0.02 . 1 . . . . . 79 TYR H . 27620 1 371 . 1 1 81 81 TYR C C 13 175.39 0.2 . 1 . . . . . 79 TYR C . 27620 1 372 . 1 1 81 81 TYR CA C 13 56.18 0.2 . 1 . . . . . 79 TYR CA . 27620 1 373 . 1 1 81 81 TYR CB C 13 38.64 0.2 . 1 . . . . . 79 TYR CB . 27620 1 374 . 1 1 81 81 TYR N N 15 121.03 0.2 . 1 . . . . . 79 TYR N . 27620 1 375 . 1 1 82 82 GLY H H 1 7.08 0.02 . 1 . . . . . 80 GLY H . 27620 1 376 . 1 1 82 82 GLY C C 13 174.15 0.2 . 1 . . . . . 80 GLY C . 27620 1 377 . 1 1 82 82 GLY CA C 13 43.80 0.2 . 1 . . . . . 80 GLY CA . 27620 1 378 . 1 1 82 82 GLY N N 15 106.56 0.2 . 1 . . . . . 80 GLY N . 27620 1 379 . 1 1 83 83 GLU C C 13 175.77 0.2 . 1 . . . . . 81 GLU C . 27620 1 380 . 1 1 83 83 GLU CA C 13 60.83 0.2 . 1 . . . . . 81 GLU CA . 27620 1 381 . 1 1 83 83 GLU CB C 13 30.21 0.2 . 1 . . . . . 81 GLU CB . 27620 1 382 . 1 1 84 84 LYS H H 1 7.84 0.02 . 1 . . . . . 82 LYS H . 27620 1 383 . 1 1 84 84 LYS C C 13 175.48 0.2 . 1 . . . . . 82 LYS C . 27620 1 384 . 1 1 84 84 LYS CA C 13 53.67 0.2 . 1 . . . . . 82 LYS CA . 27620 1 385 . 1 1 84 84 LYS CB C 13 36.81 0.2 . 1 . . . . . 82 LYS CB . 27620 1 386 . 1 1 84 84 LYS N N 15 112.05 0.2 . 1 . . . . . 82 LYS N . 27620 1 387 . 1 1 85 85 PHE H H 1 9.18 0.02 . 1 . . . . . 83 PHE H . 27620 1 388 . 1 1 85 85 PHE C C 13 173.47 0.2 . 1 . . . . . 83 PHE C . 27620 1 389 . 1 1 85 85 PHE CA C 13 55.99 0.2 . 1 . . . . . 83 PHE CA . 27620 1 390 . 1 1 85 85 PHE CB C 13 41.19 0.2 . 1 . . . . . 83 PHE CB . 27620 1 391 . 1 1 85 85 PHE N N 15 116.59 0.2 . 1 . . . . . 83 PHE N . 27620 1 392 . 1 1 86 86 GLU H H 1 9.26 0.02 . 1 . . . . . 84 GLU H . 27620 1 393 . 1 1 86 86 GLU C C 13 176.27 0.2 . 1 . . . . . 84 GLU C . 27620 1 394 . 1 1 86 86 GLU CA C 13 56.26 0.2 . 1 . . . . . 84 GLU CA . 27620 1 395 . 1 1 86 86 GLU CB C 13 29.11 0.2 . 1 . . . . . 84 GLU CB . 27620 1 396 . 1 1 86 86 GLU N N 15 119.59 0.2 . 1 . . . . . 84 GLU N . 27620 1 397 . 1 1 87 87 ASP H H 1 8.63 0.02 . 1 . . . . . 85 ASP H . 27620 1 398 . 1 1 87 87 ASP C C 13 176.21 0.2 . 1 . . . . . 85 ASP C . 27620 1 399 . 1 1 87 87 ASP CA C 13 54.38 0.2 . 1 . . . . . 85 ASP CA . 27620 1 400 . 1 1 87 87 ASP CB C 13 40.76 0.2 . 1 . . . . . 85 ASP CB . 27620 1 401 . 1 1 87 87 ASP N N 15 118.93 0.2 . 1 . . . . . 85 ASP N . 27620 1 402 . 1 1 88 88 GLU H H 1 9.50 0.02 . 1 . . . . . 86 GLU H . 27620 1 403 . 1 1 88 88 GLU C C 13 176.26 0.2 . 1 . . . . . 86 GLU C . 27620 1 404 . 1 1 88 88 GLU CA C 13 60.29 0.2 . 1 . . . . . 86 GLU CA . 27620 1 405 . 1 1 88 88 GLU CB C 13 31.82 0.2 . 1 . . . . . 86 GLU CB . 27620 1 406 . 1 1 88 88 GLU N N 15 132.02 0.2 . 1 . . . . . 86 GLU N . 27620 1 407 . 1 1 89 89 ASN H H 1 7.06 0.02 . 1 . . . . . 87 ASN H . 27620 1 408 . 1 1 89 89 ASN C C 13 170.71 0.2 . 1 . . . . . 87 ASN C . 27620 1 409 . 1 1 89 89 ASN CA C 13 52.79 0.2 . 1 . . . . . 87 ASN CA . 27620 1 410 . 1 1 89 89 ASN CB C 13 39.43 0.2 . 1 . . . . . 87 ASN CB . 27620 1 411 . 1 1 89 89 ASN N N 15 106.84 0.2 . 1 . . . . . 87 ASN N . 27620 1 412 . 1 1 90 90 PHE H H 1 8.36 0.02 . 1 . . . . . 88 PHE H . 27620 1 413 . 1 1 90 90 PHE C C 13 177.91 0.2 . 1 . . . . . 88 PHE C . 27620 1 414 . 1 1 90 90 PHE CA C 13 55.85 0.2 . 1 . . . . . 88 PHE CA . 27620 1 415 . 1 1 90 90 PHE CB C 13 38.86 0.2 . 1 . . . . . 88 PHE CB . 27620 1 416 . 1 1 90 90 PHE N N 15 113.01 0.2 . 1 . . . . . 88 PHE N . 27620 1 417 . 1 1 91 91 ILE H H 1 8.33 0.02 . 1 . . . . . 89 ILE H . 27620 1 418 . 1 1 91 91 ILE C C 13 177.74 0.2 . 1 . . . . . 89 ILE C . 27620 1 419 . 1 1 91 91 ILE CA C 13 65.00 0.2 . 1 . . . . . 89 ILE CA . 27620 1 420 . 1 1 91 91 ILE CB C 13 38.89 0.2 . 1 . . . . . 89 ILE CB . 27620 1 421 . 1 1 91 91 ILE N N 15 119.99 0.2 . 1 . . . . . 89 ILE N . 27620 1 422 . 1 1 92 92 LEU H H 1 7.77 0.02 . 1 . . . . . 90 LEU H . 27620 1 423 . 1 1 92 92 LEU C C 13 176.32 0.2 . 1 . . . . . 90 LEU C . 27620 1 424 . 1 1 92 92 LEU CA C 13 54.10 0.2 . 1 . . . . . 90 LEU CA . 27620 1 425 . 1 1 92 92 LEU CB C 13 41.80 0.2 . 1 . . . . . 90 LEU CB . 27620 1 426 . 1 1 92 92 LEU N N 15 117.31 0.2 . 1 . . . . . 90 LEU N . 27620 1 427 . 1 1 93 93 LYS H H 1 8.09 0.02 . 1 . . . . . 91 LYS H . 27620 1 428 . 1 1 93 93 LYS C C 13 176.30 0.2 . 1 . . . . . 91 LYS C . 27620 1 429 . 1 1 93 93 LYS CA C 13 54.46 0.2 . 1 . . . . . 91 LYS CA . 27620 1 430 . 1 1 93 93 LYS CB C 13 34.58 0.2 . 1 . . . . . 91 LYS CB . 27620 1 431 . 1 1 93 93 LYS N N 15 119.01 0.2 . 1 . . . . . 91 LYS N . 27620 1 432 . 1 1 94 94 HIS H H 1 10.73 0.02 . 1 . . . . . 92 HIS H . 27620 1 433 . 1 1 94 94 HIS C C 13 177.81 0.2 . 1 . . . . . 92 HIS C . 27620 1 434 . 1 1 94 94 HIS CA C 13 56.99 0.2 . 1 . . . . . 92 HIS CA . 27620 1 435 . 1 1 94 94 HIS CB C 13 25.86 0.2 . 1 . . . . . 92 HIS CB . 27620 1 436 . 1 1 94 94 HIS N N 15 122.63 0.2 . 1 . . . . . 92 HIS N . 27620 1 437 . 1 1 95 95 THR H H 1 7.27 0.02 . 1 . . . . . 93 THR H . 27620 1 438 . 1 1 95 95 THR C C 13 175.50 0.2 . 1 . . . . . 93 THR C . 27620 1 439 . 1 1 95 95 THR CA C 13 63.24 0.2 . 1 . . . . . 93 THR CA . 27620 1 440 . 1 1 95 95 THR CB C 13 69.70 0.2 . 1 . . . . . 93 THR CB . 27620 1 441 . 1 1 95 95 THR N N 15 110.53 0.2 . 1 . . . . . 93 THR N . 27620 1 442 . 1 1 96 96 GLY H H 1 7.51 0.02 . 1 . . . . . 94 GLY H . 27620 1 443 . 1 1 96 96 GLY C C 13 168.71 0.2 . 1 . . . . . 94 GLY C . 27620 1 444 . 1 1 96 96 GLY CA C 13 45.62 0.2 . 1 . . . . . 94 GLY CA . 27620 1 445 . 1 1 96 96 GLY N N 15 107.45 0.2 . 1 . . . . . 94 GLY N . 27620 1 446 . 1 1 97 97 PRO C C 13 177.13 0.2 . 1 . . . . . 95 PRO C . 27620 1 447 . 1 1 97 97 PRO CA C 13 62.77 0.2 . 1 . . . . . 95 PRO CA . 27620 1 448 . 1 1 97 97 PRO CB C 13 31.97 0.2 . 1 . . . . . 95 PRO CB . 27620 1 449 . 1 1 98 98 GLY H H 1 9.29 0.02 . 1 . . . . . 96 GLY H . 27620 1 450 . 1 1 98 98 GLY C C 13 173.03 0.2 . 1 . . . . . 96 GLY C . 27620 1 451 . 1 1 98 98 GLY CA C 13 44.99 0.2 . 1 . . . . . 96 GLY CA . 27620 1 452 . 1 1 98 98 GLY N N 15 110.47 0.2 . 1 . . . . . 96 GLY N . 27620 1 453 . 1 1 99 99 ILE H H 1 6.77 0.02 . 1 . . . . . 97 ILE H . 27620 1 454 . 1 1 99 99 ILE C C 13 173.21 0.2 . 1 . . . . . 97 ILE C . 27620 1 455 . 1 1 99 99 ILE CA C 13 59.41 0.2 . 1 . . . . . 97 ILE CA . 27620 1 456 . 1 1 99 99 ILE CB C 13 37.54 0.2 . 1 . . . . . 97 ILE CB . 27620 1 457 . 1 1 99 99 ILE N N 15 121.51 0.2 . 1 . . . . . 97 ILE N . 27620 1 458 . 1 1 100 100 LEU H H 1 7.89 0.02 . 1 . . . . . 98 LEU H . 27620 1 459 . 1 1 100 100 LEU C C 13 174.15 0.2 . 1 . . . . . 98 LEU C . 27620 1 460 . 1 1 100 100 LEU CA C 13 53.25 0.2 . 1 . . . . . 98 LEU CA . 27620 1 461 . 1 1 100 100 LEU CB C 13 43.65 0.2 . 1 . . . . . 98 LEU CB . 27620 1 462 . 1 1 100 100 LEU N N 15 129.00 0.2 . 1 . . . . . 98 LEU N . 27620 1 463 . 1 1 101 101 SER H H 1 8.29 0.02 . 1 . . . . . 99 SER H . 27620 1 464 . 1 1 101 101 SER C C 13 174.75 0.2 . 1 . . . . . 99 SER C . 27620 1 465 . 1 1 101 101 SER CA C 13 55.01 0.2 . 1 . . . . . 99 SER CA . 27620 1 466 . 1 1 101 101 SER CB C 13 65.33 0.2 . 1 . . . . . 99 SER CB . 27620 1 467 . 1 1 101 101 SER N N 15 118.84 0.2 . 1 . . . . . 99 SER N . 27620 1 468 . 1 1 102 102 MET H H 1 8.56 0.02 . 1 . . . . . 100 MET H . 27620 1 469 . 1 1 102 102 MET C C 13 177.84 0.2 . 1 . . . . . 100 MET C . 27620 1 470 . 1 1 102 102 MET CA C 13 53.83 0.2 . 1 . . . . . 100 MET CA . 27620 1 471 . 1 1 102 102 MET CB C 13 31.03 0.2 . 1 . . . . . 100 MET CB . 27620 1 472 . 1 1 102 102 MET N N 15 123.11 0.2 . 1 . . . . . 100 MET N . 27620 1 473 . 1 1 103 103 ALA H H 1 8.01 0.02 . 1 . . . . . 101 ALA H . 27620 1 474 . 1 1 103 103 ALA C C 13 175.62 0.2 . 1 . . . . . 101 ALA C . 27620 1 475 . 1 1 103 103 ALA CA C 13 51.60 0.2 . 1 . . . . . 101 ALA CA . 27620 1 476 . 1 1 103 103 ALA CB C 13 19.46 0.2 . 1 . . . . . 101 ALA CB . 27620 1 477 . 1 1 103 103 ALA N N 15 126.00 0.2 . 1 . . . . . 101 ALA N . 27620 1 478 . 1 1 104 104 ASN H H 1 8.15 0.02 . 1 . . . . . 102 ASN H . 27620 1 479 . 1 1 104 104 ASN C C 13 173.85 0.2 . 1 . . . . . 102 ASN C . 27620 1 480 . 1 1 104 104 ASN CA C 13 54.18 0.2 . 1 . . . . . 102 ASN CA . 27620 1 481 . 1 1 104 104 ASN CB C 13 40.45 0.2 . 1 . . . . . 102 ASN CB . 27620 1 482 . 1 1 104 104 ASN N N 15 113.47 0.2 . 1 . . . . . 102 ASN N . 27620 1 483 . 1 1 105 105 ALA H H 1 8.79 0.02 . 1 . . . . . 103 ALA H . 27620 1 484 . 1 1 105 105 ALA C C 13 176.93 0.2 . 1 . . . . . 103 ALA C . 27620 1 485 . 1 1 105 105 ALA CA C 13 50.36 0.2 . 1 . . . . . 103 ALA CA . 27620 1 486 . 1 1 105 105 ALA CB C 13 18.98 0.2 . 1 . . . . . 103 ALA CB . 27620 1 487 . 1 1 105 105 ALA N N 15 123.46 0.2 . 1 . . . . . 103 ALA N . 27620 1 488 . 1 1 106 106 GLY H H 1 8.21 0.02 . 1 . . . . . 104 GLY H . 27620 1 489 . 1 1 106 106 GLY C C 13 172.13 0.2 . 1 . . . . . 104 GLY C . 27620 1 490 . 1 1 106 106 GLY CA C 13 43.51 0.2 . 1 . . . . . 104 GLY CA . 27620 1 491 . 1 1 106 106 GLY N N 15 109.50 0.2 . 1 . . . . . 104 GLY N . 27620 1 492 . 1 1 107 107 PRO C C 13 176.16 0.2 . 1 . . . . . 105 PRO C . 27620 1 493 . 1 1 107 107 PRO CA C 13 64.01 0.2 . 1 . . . . . 105 PRO CA . 27620 1 494 . 1 1 107 107 PRO CB C 13 31.84 0.2 . 1 . . . . . 105 PRO CB . 27620 1 495 . 1 1 108 108 ASN H H 1 8.87 0.02 . 1 . . . . . 106 ASN H . 27620 1 496 . 1 1 108 108 ASN C C 13 175.02 0.2 . 1 . . . . . 106 ASN C . 27620 1 497 . 1 1 108 108 ASN CA C 13 54.29 0.2 . 1 . . . . . 106 ASN CA . 27620 1 498 . 1 1 108 108 ASN CB C 13 37.06 0.2 . 1 . . . . . 106 ASN CB . 27620 1 499 . 1 1 108 108 ASN N N 15 119.18 0.2 . 1 . . . . . 106 ASN N . 27620 1 500 . 1 1 109 109 THR H H 1 10.25 0.02 . 1 . . . . . 107 THR H . 27620 1 501 . 1 1 109 109 THR C C 13 173.73 0.2 . 1 . . . . . 107 THR C . 27620 1 502 . 1 1 109 109 THR CA C 13 60.29 0.2 . 1 . . . . . 107 THR CA . 27620 1 503 . 1 1 109 109 THR CB C 13 69.00 0.2 . 1 . . . . . 107 THR CB . 27620 1 504 . 1 1 109 109 THR N N 15 110.54 0.2 . 1 . . . . . 107 THR N . 27620 1 505 . 1 1 110 110 ASN H H 1 7.38 0.02 . 1 . . . . . 108 ASN H . 27620 1 506 . 1 1 110 110 ASN C C 13 174.12 0.2 . 1 . . . . . 108 ASN C . 27620 1 507 . 1 1 110 110 ASN CA C 13 55.70 0.2 . 1 . . . . . 108 ASN CA . 27620 1 508 . 1 1 110 110 ASN CB C 13 39.72 0.2 . 1 . . . . . 108 ASN CB . 27620 1 509 . 1 1 110 110 ASN N N 15 120.75 0.2 . 1 . . . . . 108 ASN N . 27620 1 510 . 1 1 111 111 GLY H H 1 9.20 0.02 . 1 . . . . . 109 GLY H . 27620 1 511 . 1 1 111 111 GLY C C 13 171.08 0.2 . 1 . . . . . 109 GLY C . 27620 1 512 . 1 1 111 111 GLY CA C 13 45.78 0.2 . 1 . . . . . 109 GLY CA . 27620 1 513 . 1 1 111 111 GLY N N 15 110.85 0.2 . 1 . . . . . 109 GLY N . 27620 1 514 . 1 1 112 112 SER H H 1 8.78 0.02 . 1 . . . . . 110 SER H . 27620 1 515 . 1 1 112 112 SER C C 13 176.02 0.2 . 1 . . . . . 110 SER C . 27620 1 516 . 1 1 112 112 SER CA C 13 57.56 0.2 . 1 . . . . . 110 SER CA . 27620 1 517 . 1 1 112 112 SER CB C 13 66.27 0.2 . 1 . . . . . 110 SER CB . 27620 1 518 . 1 1 112 112 SER N N 15 117.20 0.2 . 1 . . . . . 110 SER N . 27620 1 519 . 1 1 113 113 GLN H H 1 8.39 0.02 . 1 . . . . . 111 GLN H . 27620 1 520 . 1 1 113 113 GLN C C 13 175.10 0.2 . 1 . . . . . 111 GLN C . 27620 1 521 . 1 1 113 113 GLN CA C 13 57.66 0.2 . 1 . . . . . 111 GLN CA . 27620 1 522 . 1 1 113 113 GLN CB C 13 31.76 0.2 . 1 . . . . . 111 GLN CB . 27620 1 523 . 1 1 113 113 GLN N N 15 124.57 0.2 . 1 . . . . . 111 GLN N . 27620 1 524 . 1 1 114 114 PHE H H 1 8.07 0.02 . 1 . . . . . 112 PHE H . 27620 1 525 . 1 1 114 114 PHE C C 13 171.83 0.2 . 1 . . . . . 112 PHE C . 27620 1 526 . 1 1 114 114 PHE CA C 13 55.41 0.2 . 1 . . . . . 112 PHE CA . 27620 1 527 . 1 1 114 114 PHE CB C 13 43.08 0.2 . 1 . . . . . 112 PHE CB . 27620 1 528 . 1 1 114 114 PHE N N 15 117.99 0.2 . 1 . . . . . 112 PHE N . 27620 1 529 . 1 1 115 115 PHE H H 1 9.82 0.02 . 1 . . . . . 113 PHE H . 27620 1 530 . 1 1 115 115 PHE C C 13 174.38 0.2 . 1 . . . . . 113 PHE C . 27620 1 531 . 1 1 115 115 PHE CA C 13 54.57 0.2 . 1 . . . . . 113 PHE CA . 27620 1 532 . 1 1 115 115 PHE CB C 13 42.76 0.2 . 1 . . . . . 113 PHE CB . 27620 1 533 . 1 1 115 115 PHE N N 15 116.57 0.2 . 1 . . . . . 113 PHE N . 27620 1 534 . 1 1 116 116 ILE H H 1 9.12 0.02 . 1 . . . . . 114 ILE H . 27620 1 535 . 1 1 116 116 ILE C C 13 177.46 0.2 . 1 . . . . . 114 ILE C . 27620 1 536 . 1 1 116 116 ILE CA C 13 59.94 0.2 . 1 . . . . . 114 ILE CA . 27620 1 537 . 1 1 116 116 ILE CB C 13 40.22 0.2 . 1 . . . . . 114 ILE CB . 27620 1 538 . 1 1 116 116 ILE N N 15 118.61 0.2 . 1 . . . . . 114 ILE N . 27620 1 539 . 1 1 117 117 CYS H H 1 9.62 0.02 . 1 . . . . . 115 CYS H . 27620 1 540 . 1 1 117 117 CYS C C 13 176.66 0.2 . 1 . . . . . 115 CYS C . 27620 1 541 . 1 1 117 117 CYS CA C 13 60.85 0.2 . 1 . . . . . 115 CYS CA . 27620 1 542 . 1 1 117 117 CYS CB C 13 28.64 0.2 . 1 . . . . . 115 CYS CB . 27620 1 543 . 1 1 117 117 CYS N N 15 125.61 0.2 . 1 . . . . . 115 CYS N . 27620 1 544 . 1 1 118 118 THR H H 1 8.97 0.02 . 1 . . . . . 116 THR H . 27620 1 545 . 1 1 118 118 THR C C 13 172.39 0.2 . 1 . . . . . 116 THR C . 27620 1 546 . 1 1 118 118 THR CA C 13 60.75 0.2 . 1 . . . . . 116 THR CA . 27620 1 547 . 1 1 118 118 THR CB C 13 66.88 0.2 . 1 . . . . . 116 THR CB . 27620 1 548 . 1 1 118 118 THR N N 15 115.80 0.2 . 1 . . . . . 116 THR N . 27620 1 549 . 1 1 119 119 ALA H H 1 7.63 0.02 . 1 . . . . . 117 ALA H . 27620 1 550 . 1 1 119 119 ALA C C 13 175.25 0.2 . 1 . . . . . 117 ALA C . 27620 1 551 . 1 1 119 119 ALA CA C 13 50.56 0.2 . 1 . . . . . 117 ALA CA . 27620 1 552 . 1 1 119 119 ALA CB C 13 22.60 0.2 . 1 . . . . . 117 ALA CB . 27620 1 553 . 1 1 119 119 ALA N N 15 122.41 0.2 . 1 . . . . . 117 ALA N . 27620 1 554 . 1 1 120 120 LYS H H 1 8.74 0.02 . 1 . . . . . 118 LYS H . 27620 1 555 . 1 1 120 120 LYS C C 13 176.23 0.2 . 1 . . . . . 118 LYS C . 27620 1 556 . 1 1 120 120 LYS CA C 13 57.97 0.2 . 1 . . . . . 118 LYS CA . 27620 1 557 . 1 1 120 120 LYS CB C 13 32.67 0.2 . 1 . . . . . 118 LYS CB . 27620 1 558 . 1 1 120 120 LYS N N 15 120.24 0.2 . 1 . . . . . 118 LYS N . 27620 1 559 . 1 1 121 121 THR H H 1 7.35 0.02 . 1 . . . . . 119 THR H . 27620 1 560 . 1 1 121 121 THR C C 13 177.04 0.2 . 1 . . . . . 119 THR C . 27620 1 561 . 1 1 121 121 THR CA C 13 57.31 0.2 . 1 . . . . . 119 THR CA . 27620 1 562 . 1 1 121 121 THR CB C 13 68.76 0.2 . 1 . . . . . 119 THR CB . 27620 1 563 . 1 1 121 121 THR N N 15 119.19 0.2 . 1 . . . . . 119 THR N . 27620 1 564 . 1 1 122 122 GLU H H 1 9.12 0.02 . 1 . . . . . 120 GLU H . 27620 1 565 . 1 1 122 122 GLU C C 13 177.11 0.2 . 1 . . . . . 120 GLU C . 27620 1 566 . 1 1 122 122 GLU CA C 13 59.30 0.2 . 1 . . . . . 120 GLU CA . 27620 1 567 . 1 1 122 122 GLU CB C 13 28.90 0.2 . 1 . . . . . 120 GLU CB . 27620 1 568 . 1 1 122 122 GLU N N 15 124.71 0.2 . 1 . . . . . 120 GLU N . 27620 1 569 . 1 1 123 123 TRP H H 1 7.27 0.02 . 1 . . . . . 121 TRP H . 27620 1 570 . 1 1 123 123 TRP HE1 H 1 9.73 0.02 . 1 . . . . . 121 TRP HE1 . 27620 1 571 . 1 1 123 123 TRP C C 13 176.32 0.2 . 1 . . . . . 121 TRP C . 27620 1 572 . 1 1 123 123 TRP CA C 13 59.71 0.2 . 1 . . . . . 121 TRP CA . 27620 1 573 . 1 1 123 123 TRP CB C 13 26.71 0.2 . 1 . . . . . 121 TRP CB . 27620 1 574 . 1 1 123 123 TRP N N 15 118.02 0.2 . 1 . . . . . 121 TRP N . 27620 1 575 . 1 1 123 123 TRP NE1 N 15 130.19 0.2 . 1 . . . . . 121 TRP NE1 . 27620 1 576 . 1 1 124 124 LEU H H 1 7.04 0.02 . 1 . . . . . 122 LEU H . 27620 1 577 . 1 1 124 124 LEU C C 13 177.45 0.2 . 1 . . . . . 122 LEU C . 27620 1 578 . 1 1 124 124 LEU CA C 13 54.60 0.2 . 1 . . . . . 122 LEU CA . 27620 1 579 . 1 1 124 124 LEU CB C 13 38.67 0.2 . 1 . . . . . 122 LEU CB . 27620 1 580 . 1 1 124 124 LEU N N 15 120.19 0.2 . 1 . . . . . 122 LEU N . 27620 1 581 . 1 1 125 125 ASP H H 1 7.62 0.02 . 1 . . . . . 123 ASP H . 27620 1 582 . 1 1 125 125 ASP C C 13 178.35 0.2 . 1 . . . . . 123 ASP C . 27620 1 583 . 1 1 125 125 ASP CA C 13 55.82 0.2 . 1 . . . . . 123 ASP CA . 27620 1 584 . 1 1 125 125 ASP CB C 13 39.36 0.2 . 1 . . . . . 123 ASP CB . 27620 1 585 . 1 1 125 125 ASP N N 15 122.35 0.2 . 1 . . . . . 123 ASP N . 27620 1 586 . 1 1 126 126 GLY H H 1 9.56 0.02 . 1 . . . . . 124 GLY H . 27620 1 587 . 1 1 126 126 GLY C C 13 172.06 0.2 . 1 . . . . . 124 GLY C . 27620 1 588 . 1 1 126 126 GLY CA C 13 45.02 0.2 . 1 . . . . . 124 GLY CA . 27620 1 589 . 1 1 126 126 GLY N N 15 111.44 0.2 . 1 . . . . . 124 GLY N . 27620 1 590 . 1 1 127 127 LYS H H 1 7.75 0.02 . 1 . . . . . 125 LYS H . 27620 1 591 . 1 1 127 127 LYS C C 13 175.31 0.2 . 1 . . . . . 125 LYS C . 27620 1 592 . 1 1 127 127 LYS CA C 13 56.31 0.2 . 1 . . . . . 125 LYS CA . 27620 1 593 . 1 1 127 127 LYS CB C 13 35.40 0.2 . 1 . . . . . 125 LYS CB . 27620 1 594 . 1 1 127 127 LYS N N 15 115.74 0.2 . 1 . . . . . 125 LYS N . 27620 1 595 . 1 1 128 128 HIS H H 1 7.58 0.02 . 1 . . . . . 126 HIS H . 27620 1 596 . 1 1 128 128 HIS C C 13 173.95 0.2 . 1 . . . . . 126 HIS C . 27620 1 597 . 1 1 128 128 HIS CA C 13 54.84 0.2 . 1 . . . . . 126 HIS CA . 27620 1 598 . 1 1 128 128 HIS CB C 13 31.54 0.2 . 1 . . . . . 126 HIS CB . 27620 1 599 . 1 1 128 128 HIS N N 15 119.99 0.2 . 1 . . . . . 126 HIS N . 27620 1 600 . 1 1 129 129 VAL H H 1 8.49 0.02 . 1 . . . . . 127 VAL H . 27620 1 601 . 1 1 129 129 VAL C C 13 175.30 0.2 . 1 . . . . . 127 VAL C . 27620 1 602 . 1 1 129 129 VAL CA C 13 63.84 0.2 . 1 . . . . . 127 VAL CA . 27620 1 603 . 1 1 129 129 VAL CB C 13 33.41 0.2 . 1 . . . . . 127 VAL CB . 27620 1 604 . 1 1 129 129 VAL N N 15 124.90 0.2 . 1 . . . . . 127 VAL N . 27620 1 605 . 1 1 130 130 VAL H H 1 9.51 0.02 . 1 . . . . . 128 VAL H . 27620 1 606 . 1 1 130 130 VAL C C 13 177.03 0.2 . 1 . . . . . 128 VAL C . 27620 1 607 . 1 1 130 130 VAL CA C 13 63.08 0.2 . 1 . . . . . 128 VAL CA . 27620 1 608 . 1 1 130 130 VAL CB C 13 31.73 0.2 . 1 . . . . . 128 VAL CB . 27620 1 609 . 1 1 130 130 VAL N N 15 133.04 0.2 . 1 . . . . . 128 VAL N . 27620 1 610 . 1 1 131 131 PHE H H 1 8.12 0.02 . 1 . . . . . 129 PHE H . 27620 1 611 . 1 1 131 131 PHE C C 13 172.72 0.2 . 1 . . . . . 129 PHE C . 27620 1 612 . 1 1 131 131 PHE CA C 13 55.91 0.2 . 1 . . . . . 129 PHE CA . 27620 1 613 . 1 1 131 131 PHE CB C 13 42.53 0.2 . 1 . . . . . 129 PHE CB . 27620 1 614 . 1 1 131 131 PHE N N 15 117.97 0.2 . 1 . . . . . 129 PHE N . 27620 1 615 . 1 1 132 132 GLY H H 1 7.32 0.02 . 1 . . . . . 130 GLY H . 27620 1 616 . 1 1 132 132 GLY C C 13 170.64 0.2 . 1 . . . . . 130 GLY C . 27620 1 617 . 1 1 132 132 GLY CA C 13 46.45 0.2 . 1 . . . . . 130 GLY CA . 27620 1 618 . 1 1 132 132 GLY N N 15 110.89 0.2 . 1 . . . . . 130 GLY N . 27620 1 619 . 1 1 133 133 LYS H H 1 8.37 0.02 . 1 . . . . . 131 LYS H . 27620 1 620 . 1 1 133 133 LYS C C 13 175.08 0.2 . 1 . . . . . 131 LYS C . 27620 1 621 . 1 1 133 133 LYS CA C 13 54.81 0.2 . 1 . . . . . 131 LYS CA . 27620 1 622 . 1 1 133 133 LYS CB C 13 35.94 0.2 . 1 . . . . . 131 LYS CB . 27620 1 623 . 1 1 133 133 LYS N N 15 115.30 0.2 . 1 . . . . . 131 LYS N . 27620 1 624 . 1 1 134 134 VAL H H 1 9.04 0.02 . 1 . . . . . 132 VAL H . 27620 1 625 . 1 1 134 134 VAL C C 13 175.38 0.2 . 1 . . . . . 132 VAL C . 27620 1 626 . 1 1 134 134 VAL CA C 13 64.07 0.2 . 1 . . . . . 132 VAL CA . 27620 1 627 . 1 1 134 134 VAL CB C 13 32.60 0.2 . 1 . . . . . 132 VAL CB . 27620 1 628 . 1 1 134 134 VAL N N 15 124.12 0.2 . 1 . . . . . 132 VAL N . 27620 1 629 . 1 1 135 135 LYS H H 1 9.49 0.02 . 1 . . . . . 133 LYS H . 27620 1 630 . 1 1 135 135 LYS C C 13 175.33 0.2 . 1 . . . . . 133 LYS C . 27620 1 631 . 1 1 135 135 LYS CA C 13 56.61 0.2 . 1 . . . . . 133 LYS CA . 27620 1 632 . 1 1 135 135 LYS CB C 13 33.91 0.2 . 1 . . . . . 133 LYS CB . 27620 1 633 . 1 1 135 135 LYS N N 15 131.94 0.2 . 1 . . . . . 133 LYS N . 27620 1 634 . 1 1 136 136 GLU H H 1 7.56 0.02 . 1 . . . . . 134 GLU H . 27620 1 635 . 1 1 136 136 GLU C C 13 174.88 0.2 . 1 . . . . . 134 GLU C . 27620 1 636 . 1 1 136 136 GLU CA C 13 55.29 0.2 . 1 . . . . . 134 GLU CA . 27620 1 637 . 1 1 136 136 GLU CB C 13 32.75 0.2 . 1 . . . . . 134 GLU CB . 27620 1 638 . 1 1 136 136 GLU N N 15 118.59 0.2 . 1 . . . . . 134 GLU N . 27620 1 639 . 1 1 137 137 GLY H H 1 8.70 0.02 . 1 . . . . . 135 GLY H . 27620 1 640 . 1 1 137 137 GLY C C 13 177.13 0.2 . 1 . . . . . 135 GLY C . 27620 1 641 . 1 1 137 137 GLY CA C 13 46.04 0.2 . 1 . . . . . 135 GLY CA . 27620 1 642 . 1 1 137 137 GLY N N 15 108.09 0.2 . 1 . . . . . 135 GLY N . 27620 1 643 . 1 1 138 138 MET H H 1 8.88 0.02 . 1 . . . . . 136 MET H . 27620 1 644 . 1 1 138 138 MET C C 13 177.65 0.2 . 1 . . . . . 136 MET C . 27620 1 645 . 1 1 138 138 MET CA C 13 56.84 0.2 . 1 . . . . . 136 MET CA . 27620 1 646 . 1 1 138 138 MET CB C 13 30.09 0.2 . 1 . . . . . 136 MET CB . 27620 1 647 . 1 1 138 138 MET N N 15 122.71 0.2 . 1 . . . . . 136 MET N . 27620 1 648 . 1 1 139 139 ASN H H 1 8.93 0.02 . 1 . . . . . 137 ASN H . 27620 1 649 . 1 1 139 139 ASN C C 13 177.52 0.2 . 1 . . . . . 137 ASN C . 27620 1 650 . 1 1 139 139 ASN CA C 13 56.07 0.2 . 1 . . . . . 137 ASN CA . 27620 1 651 . 1 1 139 139 ASN CB C 13 35.89 0.2 . 1 . . . . . 137 ASN CB . 27620 1 652 . 1 1 139 139 ASN N N 15 114.65 0.2 . 1 . . . . . 137 ASN N . 27620 1 653 . 1 1 140 140 ILE H H 1 7.65 0.02 . 1 . . . . . 138 ILE H . 27620 1 654 . 1 1 140 140 ILE C C 13 177.62 0.2 . 1 . . . . . 138 ILE C . 27620 1 655 . 1 1 140 140 ILE CA C 13 61.54 0.2 . 1 . . . . . 138 ILE CA . 27620 1 656 . 1 1 140 140 ILE CB C 13 34.12 0.2 . 1 . . . . . 138 ILE CB . 27620 1 657 . 1 1 140 140 ILE N N 15 124.42 0.2 . 1 . . . . . 138 ILE N . 27620 1 658 . 1 1 141 141 VAL H H 1 7.26 0.02 . 1 . . . . . 139 VAL H . 27620 1 659 . 1 1 141 141 VAL C C 13 178.03 0.2 . 1 . . . . . 139 VAL C . 27620 1 660 . 1 1 141 141 VAL CA C 13 66.11 0.2 . 1 . . . . . 139 VAL CA . 27620 1 661 . 1 1 141 141 VAL CB C 13 31.08 0.2 . 1 . . . . . 139 VAL CB . 27620 1 662 . 1 1 141 141 VAL N N 15 122.12 0.2 . 1 . . . . . 139 VAL N . 27620 1 663 . 1 1 142 142 GLU H H 1 8.32 0.02 . 1 . . . . . 140 GLU H . 27620 1 664 . 1 1 142 142 GLU C C 13 179.46 0.2 . 1 . . . . . 140 GLU C . 27620 1 665 . 1 1 142 142 GLU CA C 13 59.20 0.2 . 1 . . . . . 140 GLU CA . 27620 1 666 . 1 1 142 142 GLU CB C 13 29.58 0.2 . 1 . . . . . 140 GLU CB . 27620 1 667 . 1 1 142 142 GLU N N 15 117.53 0.2 . 1 . . . . . 140 GLU N . 27620 1 668 . 1 1 143 143 ALA H H 1 7.51 0.02 . 1 . . . . . 141 ALA H . 27620 1 669 . 1 1 143 143 ALA C C 13 180.63 0.2 . 1 . . . . . 141 ALA C . 27620 1 670 . 1 1 143 143 ALA CA C 13 54.90 0.2 . 1 . . . . . 141 ALA CA . 27620 1 671 . 1 1 143 143 ALA CB C 13 17.99 0.2 . 1 . . . . . 141 ALA CB . 27620 1 672 . 1 1 143 143 ALA N N 15 121.17 0.2 . 1 . . . . . 141 ALA N . 27620 1 673 . 1 1 144 144 MET H H 1 8.30 0.02 . 1 . . . . . 142 MET H . 27620 1 674 . 1 1 144 144 MET C C 13 177.88 0.2 . 1 . . . . . 142 MET C . 27620 1 675 . 1 1 144 144 MET CA C 13 59.66 0.2 . 1 . . . . . 142 MET CA . 27620 1 676 . 1 1 144 144 MET CB C 13 33.46 0.2 . 1 . . . . . 142 MET CB . 27620 1 677 . 1 1 144 144 MET N N 15 117.90 0.2 . 1 . . . . . 142 MET N . 27620 1 678 . 1 1 145 145 GLU H H 1 7.87 0.02 . 1 . . . . . 143 GLU H . 27620 1 679 . 1 1 145 145 GLU C C 13 177.99 0.2 . 1 . . . . . 143 GLU C . 27620 1 680 . 1 1 145 145 GLU CA C 13 59.34 0.2 . 1 . . . . . 143 GLU CA . 27620 1 681 . 1 1 145 145 GLU CB C 13 30.33 0.2 . 1 . . . . . 143 GLU CB . 27620 1 682 . 1 1 145 145 GLU N N 15 116.55 0.2 . 1 . . . . . 143 GLU N . 27620 1 683 . 1 1 146 146 ARG H H 1 7.04 0.02 . 1 . . . . . 144 ARG H . 27620 1 684 . 1 1 146 146 ARG C C 13 177.28 0.2 . 1 . . . . . 144 ARG C . 27620 1 685 . 1 1 146 146 ARG CA C 13 57.70 0.2 . 1 . . . . . 144 ARG CA . 27620 1 686 . 1 1 146 146 ARG CB C 13 29.53 0.2 . 1 . . . . . 144 ARG CB . 27620 1 687 . 1 1 146 146 ARG N N 15 114.64 0.2 . 1 . . . . . 144 ARG N . 27620 1 688 . 1 1 147 147 PHE H H 1 7.64 0.02 . 1 . . . . . 145 PHE H . 27620 1 689 . 1 1 147 147 PHE C C 13 175.79 0.2 . 1 . . . . . 145 PHE C . 27620 1 690 . 1 1 147 147 PHE CA C 13 57.81 0.2 . 1 . . . . . 145 PHE CA . 27620 1 691 . 1 1 147 147 PHE CB C 13 38.72 0.2 . 1 . . . . . 145 PHE CB . 27620 1 692 . 1 1 147 147 PHE N N 15 115.52 0.2 . 1 . . . . . 145 PHE N . 27620 1 693 . 1 1 148 148 GLY H H 1 7.54 0.02 . 1 . . . . . 146 GLY H . 27620 1 694 . 1 1 148 148 GLY C C 13 171.99 0.2 . 1 . . . . . 146 GLY C . 27620 1 695 . 1 1 148 148 GLY CA C 13 44.03 0.2 . 1 . . . . . 146 GLY CA . 27620 1 696 . 1 1 148 148 GLY N N 15 104.80 0.2 . 1 . . . . . 146 GLY N . 27620 1 697 . 1 1 149 149 SER H H 1 8.23 0.02 . 1 . . . . . 147 SER H . 27620 1 698 . 1 1 149 149 SER C C 13 175.47 0.2 . 1 . . . . . 147 SER C . 27620 1 699 . 1 1 149 149 SER CA C 13 58.31 0.2 . 1 . . . . . 147 SER CA . 27620 1 700 . 1 1 149 149 SER CB C 13 65.81 0.2 . 1 . . . . . 147 SER CB . 27620 1 701 . 1 1 149 149 SER N N 15 110.09 0.2 . 1 . . . . . 147 SER N . 27620 1 702 . 1 1 150 150 ARG C C 13 176.83 0.2 . 1 . . . . . 148 ARG C . 27620 1 703 . 1 1 150 150 ARG CA C 13 59.74 0.2 . 1 . . . . . 148 ARG CA . 27620 1 704 . 1 1 150 150 ARG CB C 13 29.85 0.2 . 1 . . . . . 148 ARG CB . 27620 1 705 . 1 1 151 151 ASN H H 1 7.89 0.02 . 1 . . . . . 149 ASN H . 27620 1 706 . 1 1 151 151 ASN C C 13 176.79 0.2 . 1 . . . . . 149 ASN C . 27620 1 707 . 1 1 151 151 ASN CA C 13 52.39 0.2 . 1 . . . . . 149 ASN CA . 27620 1 708 . 1 1 151 151 ASN CB C 13 38.40 0.2 . 1 . . . . . 149 ASN CB . 27620 1 709 . 1 1 151 151 ASN N N 15 111.87 0.2 . 1 . . . . . 149 ASN N . 27620 1 710 . 1 1 152 152 GLY H H 1 8.05 0.02 . 1 . . . . . 150 GLY H . 27620 1 711 . 1 1 152 152 GLY C C 13 173.34 0.2 . 1 . . . . . 150 GLY C . 27620 1 712 . 1 1 152 152 GLY CA C 13 44.94 0.2 . 1 . . . . . 150 GLY CA . 27620 1 713 . 1 1 152 152 GLY N N 15 110.39 0.2 . 1 . . . . . 150 GLY N . 27620 1 714 . 1 1 153 153 LYS H H 1 7.55 0.02 . 1 . . . . . 151 LYS H . 27620 1 715 . 1 1 153 153 LYS C C 13 178.65 0.2 . 1 . . . . . 151 LYS C . 27620 1 716 . 1 1 153 153 LYS CA C 13 57.30 0.2 . 1 . . . . . 151 LYS CA . 27620 1 717 . 1 1 153 153 LYS CB C 13 32.34 0.2 . 1 . . . . . 151 LYS CB . 27620 1 718 . 1 1 153 153 LYS N N 15 120.07 0.2 . 1 . . . . . 151 LYS N . 27620 1 719 . 1 1 154 154 THR H H 1 8.89 0.02 . 1 . . . . . 152 THR H . 27620 1 720 . 1 1 154 154 THR C C 13 176.01 0.2 . 1 . . . . . 152 THR C . 27620 1 721 . 1 1 154 154 THR CA C 13 60.10 0.2 . 1 . . . . . 152 THR CA . 27620 1 722 . 1 1 154 154 THR CB C 13 71.44 0.2 . 1 . . . . . 152 THR CB . 27620 1 723 . 1 1 154 154 THR N N 15 117.08 0.2 . 1 . . . . . 152 THR N . 27620 1 724 . 1 1 155 155 SER H H 1 9.45 0.02 . 1 . . . . . 153 SER H . 27620 1 725 . 1 1 155 155 SER C C 13 174.00 0.2 . 1 . . . . . 153 SER C . 27620 1 726 . 1 1 155 155 SER CA C 13 59.01 0.2 . 1 . . . . . 153 SER CA . 27620 1 727 . 1 1 155 155 SER CB C 13 63.67 0.2 . 1 . . . . . 153 SER CB . 27620 1 728 . 1 1 155 155 SER N N 15 117.13 0.2 . 1 . . . . . 153 SER N . 27620 1 729 . 1 1 156 156 LYS H H 1 7.55 0.02 . 1 . . . . . 154 LYS H . 27620 1 730 . 1 1 156 156 LYS C C 13 174.31 0.2 . 1 . . . . . 154 LYS C . 27620 1 731 . 1 1 156 156 LYS CA C 13 54.73 0.2 . 1 . . . . . 154 LYS CA . 27620 1 732 . 1 1 156 156 LYS CB C 13 38.34 0.2 . 1 . . . . . 154 LYS CB . 27620 1 733 . 1 1 156 156 LYS N N 15 119.86 0.2 . 1 . . . . . 154 LYS N . 27620 1 734 . 1 1 157 157 LYS H H 1 8.81 0.02 . 1 . . . . . 155 LYS H . 27620 1 735 . 1 1 157 157 LYS C C 13 175.99 0.2 . 1 . . . . . 155 LYS C . 27620 1 736 . 1 1 157 157 LYS CA C 13 56.45 0.2 . 1 . . . . . 155 LYS CA . 27620 1 737 . 1 1 157 157 LYS CB C 13 32.13 0.2 . 1 . . . . . 155 LYS CB . 27620 1 738 . 1 1 157 157 LYS N N 15 121.88 0.2 . 1 . . . . . 155 LYS N . 27620 1 739 . 1 1 158 158 ILE H H 1 9.63 0.02 . 1 . . . . . 156 ILE H . 27620 1 740 . 1 1 158 158 ILE C C 13 176.31 0.2 . 1 . . . . . 156 ILE C . 27620 1 741 . 1 1 158 158 ILE CA C 13 59.36 0.2 . 1 . . . . . 156 ILE CA . 27620 1 742 . 1 1 158 158 ILE CB C 13 36.60 0.2 . 1 . . . . . 156 ILE CB . 27620 1 743 . 1 1 158 158 ILE N N 15 134.57 0.2 . 1 . . . . . 156 ILE N . 27620 1 744 . 1 1 159 159 THR H H 1 9.27 0.02 . 1 . . . . . 157 THR H . 27620 1 745 . 1 1 159 159 THR C C 13 173.53 0.2 . 1 . . . . . 157 THR C . 27620 1 746 . 1 1 159 159 THR CA C 13 59.66 0.2 . 1 . . . . . 157 THR CA . 27620 1 747 . 1 1 159 159 THR CB C 13 72.66 0.2 . 1 . . . . . 157 THR CB . 27620 1 748 . 1 1 159 159 THR N N 15 117.10 0.2 . 1 . . . . . 157 THR N . 27620 1 749 . 1 1 160 160 ILE H H 1 8.60 0.02 . 1 . . . . . 158 ILE H . 27620 1 750 . 1 1 160 160 ILE C C 13 174.68 0.2 . 1 . . . . . 158 ILE C . 27620 1 751 . 1 1 160 160 ILE CA C 13 60.55 0.2 . 1 . . . . . 158 ILE CA . 27620 1 752 . 1 1 160 160 ILE CB C 13 36.86 0.2 . 1 . . . . . 158 ILE CB . 27620 1 753 . 1 1 160 160 ILE N N 15 121.66 0.2 . 1 . . . . . 158 ILE N . 27620 1 754 . 1 1 161 161 ALA H H 1 8.90 0.02 . 1 . . . . . 159 ALA H . 27620 1 755 . 1 1 161 161 ALA C C 13 178.61 0.2 . 1 . . . . . 159 ALA C . 27620 1 756 . 1 1 161 161 ALA CA C 13 54.15 0.2 . 1 . . . . . 159 ALA CA . 27620 1 757 . 1 1 161 161 ALA CB C 13 18.72 0.2 . 1 . . . . . 159 ALA CB . 27620 1 758 . 1 1 161 161 ALA N N 15 132.56 0.2 . 1 . . . . . 159 ALA N . 27620 1 759 . 1 1 162 162 ASP H H 1 8.08 0.02 . 1 . . . . . 160 ASP H . 27620 1 760 . 1 1 162 162 ASP C C 13 172.88 0.2 . 1 . . . . . 160 ASP C . 27620 1 761 . 1 1 162 162 ASP CA C 13 52.69 0.2 . 1 . . . . . 160 ASP CA . 27620 1 762 . 1 1 162 162 ASP CB C 13 43.58 0.2 . 1 . . . . . 160 ASP CB . 27620 1 763 . 1 1 162 162 ASP N N 15 111.67 0.2 . 1 . . . . . 160 ASP N . 27620 1 764 . 1 1 163 163 CYS H H 1 8.60 0.02 . 1 . . . . . 161 CYS H . 27620 1 765 . 1 1 163 163 CYS C C 13 172.47 0.2 . 1 . . . . . 161 CYS C . 27620 1 766 . 1 1 163 163 CYS CA C 13 55.36 0.2 . 1 . . . . . 161 CYS CA . 27620 1 767 . 1 1 163 163 CYS CB C 13 31.36 0.2 . 1 . . . . . 161 CYS CB . 27620 1 768 . 1 1 163 163 CYS N N 15 116.23 0.2 . 1 . . . . . 161 CYS N . 27620 1 769 . 1 1 164 164 GLY H H 1 6.86 0.02 . 1 . . . . . 162 GLY H . 27620 1 770 . 1 1 164 164 GLY C C 13 170.06 0.2 . 1 . . . . . 162 GLY C . 27620 1 771 . 1 1 164 164 GLY CA C 13 45.37 0.2 . 1 . . . . . 162 GLY CA . 27620 1 772 . 1 1 164 164 GLY N N 15 104.29 0.2 . 1 . . . . . 162 GLY N . 27620 1 773 . 1 1 165 165 GLN H H 1 9.10 0.02 . 1 . . . . . 163 GLN H . 27620 1 774 . 1 1 165 165 GLN C C 13 175.49 0.2 . 1 . . . . . 163 GLN C . 27620 1 775 . 1 1 165 165 GLN CA C 13 54.99 0.2 . 1 . . . . . 163 GLN CA . 27620 1 776 . 1 1 165 165 GLN CB C 13 30.63 0.2 . 1 . . . . . 163 GLN CB . 27620 1 777 . 1 1 165 165 GLN N N 15 121.14 0.2 . 1 . . . . . 163 GLN N . 27620 1 778 . 1 1 166 166 LEU H H 1 8.60 0.02 . 1 . . . . . 164 LEU H . 27620 1 779 . 1 1 166 166 LEU C C 13 176.06 0.2 . 1 . . . . . 164 LEU C . 27620 1 780 . 1 1 166 166 LEU CA C 13 54.80 0.2 . 1 . . . . . 164 LEU CA . 27620 1 781 . 1 1 166 166 LEU CB C 13 43.27 0.2 . 1 . . . . . 164 LEU CB . 27620 1 782 . 1 1 166 166 LEU N N 15 126.17 0.2 . 1 . . . . . 164 LEU N . 27620 1 783 . 1 1 167 167 GLU H H 1 8.18 0.02 . 1 . . . . . 165 GLU H . 27620 1 784 . 1 1 167 167 GLU C C 13 180.72 0.2 . 1 . . . . . 165 GLU C . 27620 1 785 . 1 1 167 167 GLU CA C 13 58.16 0.2 . 1 . . . . . 165 GLU CA . 27620 1 786 . 1 1 167 167 GLU CB C 13 31.52 0.2 . 1 . . . . . 165 GLU CB . 27620 1 787 . 1 1 167 167 GLU N N 15 126.38 0.2 . 1 . . . . . 165 GLU N . 27620 1 stop_ save_