data_50300 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50300 _Entry.Title ; Sequence-specific resonance assignments of the Chlamydomonas reinhardtii SAS-6 N-terminal domain, F145E variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-28 _Entry.Accession_date 2020-05-28 _Entry.Last_release_date 2020-05-28 _Entry.Original_release_date 2020-05-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _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 Julia Busch . M.C. . 0000-0002-3677-6084 50300 2 Ioannis Vakonakis . . . 0000-0002-4726-0446 50300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 50300 '15N chemical shifts' 133 50300 '1H chemical shifts' 133 50300 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 . . 2020-12-30 2020-05-28 update BMRB 'update entry citation' 50300 1 . . 2020-09-01 2020-05-28 original author 'original release' 50300 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3Q0Y . 50300 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50300 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32873708 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Identification of compounds that bind the centriolar protein SAS-6 and inhibit its oligomerization ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 295 _Citation.Journal_issue 52 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 17922 _Citation.Page_last 17934 _Citation.Year 2020 _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 Julia Busch . M.C. . . 50300 1 2 Minos-Timotheos Matsoukas . . . . 50300 1 3 Maria Musgaard . . . . 50300 1 4 Georgios Spyroulias . A. . . 50300 1 5 Philip Biggin . C. . . 50300 1 6 Ioannis Vakonakis . . . . 50300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50300 _Assembly.ID 1 _Assembly.Name 'Chlamydomonas reinhardtii SAS-6 N-terminal domain, F145E variant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18075 _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 'CrSAS-6N F145E' 1 $entity_1 . . yes native no no . . . 50300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GPMPLLLDDGDPKAQTGFDL STATTLFWRPVPVHVKQQDR EDVLEELTFRILTGVAKQNH NLRILRIHISSDSDLFFLHT LEVSEEDFQSLKNDQGILVD FASFPGKIISLLEKCILAQP GDSPRFQAVLTIRGGESVFK IVEINDEKQLPHITLAFRPG N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'First residue is G1' _Entity.Polymer_author_seq_details ; First two residues are cloning artefact. E147 in assignment numbering is an engineered mutation. ; _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 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation F145E _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 UNP A9CQL4 . SAS-6 . . . . . . . . . . . . . . 50300 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Centrosome structural protein' 50300 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 . GLY . 50300 1 2 . PRO . 50300 1 3 . MET . 50300 1 4 . PRO . 50300 1 5 . LEU . 50300 1 6 . LEU . 50300 1 7 . LEU . 50300 1 8 . ASP . 50300 1 9 . ASP . 50300 1 10 . GLY . 50300 1 11 . ASP . 50300 1 12 . PRO . 50300 1 13 . LYS . 50300 1 14 . ALA . 50300 1 15 . GLN . 50300 1 16 . THR . 50300 1 17 . GLY . 50300 1 18 . PHE . 50300 1 19 . ASP . 50300 1 20 . LEU . 50300 1 21 . SER . 50300 1 22 . THR . 50300 1 23 . ALA . 50300 1 24 . THR . 50300 1 25 . THR . 50300 1 26 . LEU . 50300 1 27 . PHE . 50300 1 28 . TRP . 50300 1 29 . ARG . 50300 1 30 . PRO . 50300 1 31 . VAL . 50300 1 32 . PRO . 50300 1 33 . VAL . 50300 1 34 . HIS . 50300 1 35 . VAL . 50300 1 36 . LYS . 50300 1 37 . GLN . 50300 1 38 . GLN . 50300 1 39 . ASP . 50300 1 40 . ARG . 50300 1 41 . GLU . 50300 1 42 . ASP . 50300 1 43 . VAL . 50300 1 44 . LEU . 50300 1 45 . GLU . 50300 1 46 . GLU . 50300 1 47 . LEU . 50300 1 48 . THR . 50300 1 49 . PHE . 50300 1 50 . ARG . 50300 1 51 . ILE . 50300 1 52 . LEU . 50300 1 53 . THR . 50300 1 54 . GLY . 50300 1 55 . VAL . 50300 1 56 . ALA . 50300 1 57 . LYS . 50300 1 58 . GLN . 50300 1 59 . ASN . 50300 1 60 . HIS . 50300 1 61 . ASN . 50300 1 62 . LEU . 50300 1 63 . ARG . 50300 1 64 . ILE . 50300 1 65 . LEU . 50300 1 66 . ARG . 50300 1 67 . ILE . 50300 1 68 . HIS . 50300 1 69 . ILE . 50300 1 70 . SER . 50300 1 71 . SER . 50300 1 72 . ASP . 50300 1 73 . SER . 50300 1 74 . ASP . 50300 1 75 . LEU . 50300 1 76 . PHE . 50300 1 77 . PHE . 50300 1 78 . LEU . 50300 1 79 . HIS . 50300 1 80 . THR . 50300 1 81 . LEU . 50300 1 82 . GLU . 50300 1 83 . VAL . 50300 1 84 . SER . 50300 1 85 . GLU . 50300 1 86 . GLU . 50300 1 87 . ASP . 50300 1 88 . PHE . 50300 1 89 . GLN . 50300 1 90 . SER . 50300 1 91 . LEU . 50300 1 92 . LYS . 50300 1 93 . ASN . 50300 1 94 . ASP . 50300 1 95 . GLN . 50300 1 96 . GLY . 50300 1 97 . ILE . 50300 1 98 . LEU . 50300 1 99 . VAL . 50300 1 100 . ASP . 50300 1 101 . PHE . 50300 1 102 . ALA . 50300 1 103 . SER . 50300 1 104 . PHE . 50300 1 105 . PRO . 50300 1 106 . GLY . 50300 1 107 . LYS . 50300 1 108 . ILE . 50300 1 109 . ILE . 50300 1 110 . SER . 50300 1 111 . LEU . 50300 1 112 . LEU . 50300 1 113 . GLU . 50300 1 114 . LYS . 50300 1 115 . CYS . 50300 1 116 . ILE . 50300 1 117 . LEU . 50300 1 118 . ALA . 50300 1 119 . GLN . 50300 1 120 . PRO . 50300 1 121 . GLY . 50300 1 122 . ASP . 50300 1 123 . SER . 50300 1 124 . PRO . 50300 1 125 . ARG . 50300 1 126 . PHE . 50300 1 127 . GLN . 50300 1 128 . ALA . 50300 1 129 . VAL . 50300 1 130 . LEU . 50300 1 131 . THR . 50300 1 132 . ILE . 50300 1 133 . ARG . 50300 1 134 . GLY . 50300 1 135 . GLY . 50300 1 136 . GLU . 50300 1 137 . SER . 50300 1 138 . VAL . 50300 1 139 . PHE . 50300 1 140 . LYS . 50300 1 141 . ILE . 50300 1 142 . VAL . 50300 1 143 . GLU . 50300 1 144 . ILE . 50300 1 145 . ASN . 50300 1 146 . ASP . 50300 1 147 . GLU . 50300 1 148 . LYS . 50300 1 149 . GLN . 50300 1 150 . LEU . 50300 1 151 . PRO . 50300 1 152 . HIS . 50300 1 153 . ILE . 50300 1 154 . THR . 50300 1 155 . LEU . 50300 1 156 . ALA . 50300 1 157 . PHE . 50300 1 158 . ARG . 50300 1 159 . PRO . 50300 1 160 . GLY . 50300 1 161 . ASN . 50300 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 50300 1 . PRO 2 2 50300 1 . MET 3 3 50300 1 . PRO 4 4 50300 1 . LEU 5 5 50300 1 . LEU 6 6 50300 1 . LEU 7 7 50300 1 . ASP 8 8 50300 1 . ASP 9 9 50300 1 . GLY 10 10 50300 1 . ASP 11 11 50300 1 . PRO 12 12 50300 1 . LYS 13 13 50300 1 . ALA 14 14 50300 1 . GLN 15 15 50300 1 . THR 16 16 50300 1 . GLY 17 17 50300 1 . PHE 18 18 50300 1 . ASP 19 19 50300 1 . LEU 20 20 50300 1 . SER 21 21 50300 1 . THR 22 22 50300 1 . ALA 23 23 50300 1 . THR 24 24 50300 1 . THR 25 25 50300 1 . LEU 26 26 50300 1 . PHE 27 27 50300 1 . TRP 28 28 50300 1 . ARG 29 29 50300 1 . PRO 30 30 50300 1 . VAL 31 31 50300 1 . PRO 32 32 50300 1 . VAL 33 33 50300 1 . HIS 34 34 50300 1 . VAL 35 35 50300 1 . LYS 36 36 50300 1 . GLN 37 37 50300 1 . GLN 38 38 50300 1 . ASP 39 39 50300 1 . ARG 40 40 50300 1 . GLU 41 41 50300 1 . ASP 42 42 50300 1 . VAL 43 43 50300 1 . LEU 44 44 50300 1 . GLU 45 45 50300 1 . GLU 46 46 50300 1 . LEU 47 47 50300 1 . THR 48 48 50300 1 . PHE 49 49 50300 1 . ARG 50 50 50300 1 . ILE 51 51 50300 1 . LEU 52 52 50300 1 . THR 53 53 50300 1 . GLY 54 54 50300 1 . VAL 55 55 50300 1 . ALA 56 56 50300 1 . LYS 57 57 50300 1 . GLN 58 58 50300 1 . ASN 59 59 50300 1 . HIS 60 60 50300 1 . ASN 61 61 50300 1 . LEU 62 62 50300 1 . ARG 63 63 50300 1 . ILE 64 64 50300 1 . LEU 65 65 50300 1 . ARG 66 66 50300 1 . ILE 67 67 50300 1 . HIS 68 68 50300 1 . ILE 69 69 50300 1 . SER 70 70 50300 1 . SER 71 71 50300 1 . ASP 72 72 50300 1 . SER 73 73 50300 1 . ASP 74 74 50300 1 . LEU 75 75 50300 1 . PHE 76 76 50300 1 . PHE 77 77 50300 1 . LEU 78 78 50300 1 . HIS 79 79 50300 1 . THR 80 80 50300 1 . LEU 81 81 50300 1 . GLU 82 82 50300 1 . VAL 83 83 50300 1 . SER 84 84 50300 1 . GLU 85 85 50300 1 . GLU 86 86 50300 1 . ASP 87 87 50300 1 . PHE 88 88 50300 1 . GLN 89 89 50300 1 . SER 90 90 50300 1 . LEU 91 91 50300 1 . LYS 92 92 50300 1 . ASN 93 93 50300 1 . ASP 94 94 50300 1 . GLN 95 95 50300 1 . GLY 96 96 50300 1 . ILE 97 97 50300 1 . LEU 98 98 50300 1 . VAL 99 99 50300 1 . ASP 100 100 50300 1 . PHE 101 101 50300 1 . ALA 102 102 50300 1 . SER 103 103 50300 1 . PHE 104 104 50300 1 . PRO 105 105 50300 1 . GLY 106 106 50300 1 . LYS 107 107 50300 1 . ILE 108 108 50300 1 . ILE 109 109 50300 1 . SER 110 110 50300 1 . LEU 111 111 50300 1 . LEU 112 112 50300 1 . GLU 113 113 50300 1 . LYS 114 114 50300 1 . CYS 115 115 50300 1 . ILE 116 116 50300 1 . LEU 117 117 50300 1 . ALA 118 118 50300 1 . GLN 119 119 50300 1 . PRO 120 120 50300 1 . GLY 121 121 50300 1 . ASP 122 122 50300 1 . SER 123 123 50300 1 . PRO 124 124 50300 1 . ARG 125 125 50300 1 . PHE 126 126 50300 1 . GLN 127 127 50300 1 . ALA 128 128 50300 1 . VAL 129 129 50300 1 . LEU 130 130 50300 1 . THR 131 131 50300 1 . ILE 132 132 50300 1 . ARG 133 133 50300 1 . GLY 134 134 50300 1 . GLY 135 135 50300 1 . GLU 136 136 50300 1 . SER 137 137 50300 1 . VAL 138 138 50300 1 . PHE 139 139 50300 1 . LYS 140 140 50300 1 . ILE 141 141 50300 1 . VAL 142 142 50300 1 . GLU 143 143 50300 1 . ILE 144 144 50300 1 . ASN 145 145 50300 1 . ASP 146 146 50300 1 . GLU 147 147 50300 1 . LYS 148 148 50300 1 . GLN 149 149 50300 1 . LEU 150 150 50300 1 . PRO 151 151 50300 1 . HIS 152 152 50300 1 . ILE 153 153 50300 1 . THR 154 154 50300 1 . LEU 155 155 50300 1 . ALA 156 156 50300 1 . PHE 157 157 50300 1 . ARG 158 158 50300 1 . PRO 159 159 50300 1 . GLY 160 160 50300 1 . ASN 161 161 50300 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50300 _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 $entity_1 . 3055 organism . 'Chlamydomonas reinhardtii' 'green algae' . . Eukaryota Viridiplantae Chlamydomonas reinhardtii . . . . . . . . . . . sas-6 . 50300 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50300 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pSTCm1 . . . 50300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50300 _Sample.ID 1 _Sample.Name assignment _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'CrSAS-6N F145E' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50300 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50300 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50300 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 50300 1 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 50300 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50300 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 50300 _Sample_condition_list.ID 1 _Sample_condition_list.Name standard _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' 0.38 . M 50300 1 pH 7.5 . pH 50300 1 pressure 1 . atm 50300 1 temperature 298 . K 50300 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50300 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50300 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50300 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50300 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50300 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50300 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50300 _Software.ID 4 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50300 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 500' _NMR_spectrometer.Details 'Bruker Avance II console, Oxford Instruments 11.7T magnet, TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50300 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50300 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50300 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50300 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50300 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50300 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 0.00 na indirect 0.251449530 . . . . . 50300 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50300 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50300 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50300 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assignments _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _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' . . . 50300 1 2 '3D CBCA(CO)NH' . . . 50300 1 3 '3D HNCACB' . . . 50300 1 4 '3D HNCO' . . . 50300 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50300 1 2 $software_2 . . 50300 1 3 $software_3 . . 50300 1 4 $software_4 . . 50300 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 7 7 LEU C C 13 176.714 0.000 . 1 . . . . . 7 LEU C . 50300 1 2 . 1 . 1 8 8 ASP H H 1 8.418 0.003 . 1 . . . . . 8 ASP H . 50300 1 3 . 1 . 1 8 8 ASP C C 13 175.897 0.000 . 1 . . . . . 8 ASP C . 50300 1 4 . 1 . 1 8 8 ASP CA C 13 54.316 0.022 . 1 . . . . . 8 ASP CA . 50300 1 5 . 1 . 1 8 8 ASP CB C 13 41.347 0.009 . 1 . . . . . 8 ASP CB . 50300 1 6 . 1 . 1 8 8 ASP N N 15 121.383 0.019 . 1 . . . . . 8 ASP N . 50300 1 7 . 1 . 1 9 9 ASP H H 1 8.252 0.008 . 1 . . . . . 9 ASP H . 50300 1 8 . 1 . 1 9 9 ASP C C 13 176.800 0.000 . 1 . . . . . 9 ASP C . 50300 1 9 . 1 . 1 9 9 ASP CA C 13 54.579 0.034 . 1 . . . . . 9 ASP CA . 50300 1 10 . 1 . 1 9 9 ASP CB C 13 41.219 0.041 . 1 . . . . . 9 ASP CB . 50300 1 11 . 1 . 1 9 9 ASP N N 15 121.059 0.077 . 1 . . . . . 9 ASP N . 50300 1 12 . 1 . 1 10 10 GLY H H 1 8.355 0.003 . 1 . . . . . 10 GLY H . 50300 1 13 . 1 . 1 10 10 GLY C C 13 173.676 0.000 . 1 . . . . . 10 GLY C . 50300 1 14 . 1 . 1 10 10 GLY CA C 13 47.000 3.012 . 1 . . . . . 10 GLY CA . 50300 1 15 . 1 . 1 10 10 GLY N N 15 108.765 0.011 . 1 . . . . . 10 GLY N . 50300 1 16 . 1 . 1 11 11 ASP H H 1 8.121 0.008 . 1 . . . . . 11 ASP H . 50300 1 17 . 1 . 1 11 11 ASP CA C 13 52.432 0.000 . 1 . . . . . 11 ASP CA . 50300 1 18 . 1 . 1 11 11 ASP CB C 13 41.313 0.000 . 1 . . . . . 11 ASP CB . 50300 1 19 . 1 . 1 11 11 ASP N N 15 121.573 0.021 . 1 . . . . . 11 ASP N . 50300 1 20 . 1 . 1 12 12 PRO C C 13 177.666 0.000 . 1 . . . . . 12 PRO C . 50300 1 21 . 1 . 1 12 12 PRO CA C 13 63.953 0.024 . 1 . . . . . 12 PRO CA . 50300 1 22 . 1 . 1 12 12 PRO CB C 13 32.129 0.000 . 1 . . . . . 12 PRO CB . 50300 1 23 . 1 . 1 13 13 LYS H H 1 8.399 0.004 . 1 . . . . . 13 LYS H . 50300 1 24 . 1 . 1 13 13 LYS C C 13 176.768 0.000 . 1 . . . . . 13 LYS C . 50300 1 25 . 1 . 1 13 13 LYS CA C 13 56.487 0.032 . 1 . . . . . 13 LYS CA . 50300 1 26 . 1 . 1 13 13 LYS CB C 13 32.346 0.030 . 1 . . . . . 13 LYS CB . 50300 1 27 . 1 . 1 13 13 LYS N N 15 119.704 0.035 . 1 . . . . . 13 LYS N . 50300 1 28 . 1 . 1 14 14 ALA H H 1 7.991 0.003 . 1 . . . . . 14 ALA H . 50300 1 29 . 1 . 1 14 14 ALA C C 13 177.758 0.000 . 1 . . . . . 14 ALA C . 50300 1 30 . 1 . 1 14 14 ALA CA C 13 52.731 0.041 . 1 . . . . . 14 ALA CA . 50300 1 31 . 1 . 1 14 14 ALA CB C 13 19.224 0.012 . 1 . . . . . 14 ALA CB . 50300 1 32 . 1 . 1 14 14 ALA N N 15 123.674 0.019 . 1 . . . . . 14 ALA N . 50300 1 33 . 1 . 1 15 15 GLN H H 1 8.220 0.013 . 1 . . . . . 15 GLN H . 50300 1 34 . 1 . 1 15 15 GLN C C 13 175.533 0.000 . 1 . . . . . 15 GLN C . 50300 1 35 . 1 . 1 15 15 GLN CA C 13 55.671 0.003 . 1 . . . . . 15 GLN CA . 50300 1 36 . 1 . 1 15 15 GLN CB C 13 29.467 0.019 . 1 . . . . . 15 GLN CB . 50300 1 37 . 1 . 1 15 15 GLN N N 15 119.029 0.072 . 1 . . . . . 15 GLN N . 50300 1 38 . 1 . 1 16 16 THR H H 1 7.933 0.009 . 1 . . . . . 16 THR H . 50300 1 39 . 1 . 1 16 16 THR C C 13 174.541 0.000 . 1 . . . . . 16 THR C . 50300 1 40 . 1 . 1 16 16 THR CA C 13 60.655 0.037 . 1 . . . . . 16 THR CA . 50300 1 41 . 1 . 1 16 16 THR CB C 13 71.098 0.007 . 1 . . . . . 16 THR CB . 50300 1 42 . 1 . 1 16 16 THR N N 15 111.930 0.046 . 1 . . . . . 16 THR N . 50300 1 43 . 1 . 1 17 17 GLY H H 1 8.667 0.004 . 1 . . . . . 17 GLY H . 50300 1 44 . 1 . 1 17 17 GLY C C 13 173.345 0.000 . 1 . . . . . 17 GLY C . 50300 1 45 . 1 . 1 17 17 GLY CA C 13 44.432 0.018 . 1 . . . . . 17 GLY CA . 50300 1 46 . 1 . 1 17 17 GLY N N 15 109.725 0.018 . 1 . . . . . 17 GLY N . 50300 1 47 . 1 . 1 18 18 PHE H H 1 8.850 0.003 . 1 . . . . . 18 PHE H . 50300 1 48 . 1 . 1 18 18 PHE C C 13 175.233 0.000 . 1 . . . . . 18 PHE C . 50300 1 49 . 1 . 1 18 18 PHE CA C 13 58.939 0.030 . 1 . . . . . 18 PHE CA . 50300 1 50 . 1 . 1 18 18 PHE CB C 13 40.679 0.036 . 1 . . . . . 18 PHE CB . 50300 1 51 . 1 . 1 18 18 PHE N N 15 121.726 0.021 . 1 . . . . . 18 PHE N . 50300 1 52 . 1 . 1 19 19 ASP H H 1 8.384 0.003 . 1 . . . . . 19 ASP H . 50300 1 53 . 1 . 1 19 19 ASP C C 13 176.003 0.000 . 1 . . . . . 19 ASP C . 50300 1 54 . 1 . 1 19 19 ASP CA C 13 52.716 0.015 . 1 . . . . . 19 ASP CA . 50300 1 55 . 1 . 1 19 19 ASP CB C 13 40.362 0.094 . 1 . . . . . 19 ASP CB . 50300 1 56 . 1 . 1 19 19 ASP N N 15 125.639 0.012 . 1 . . . . . 19 ASP N . 50300 1 57 . 1 . 1 20 20 LEU H H 1 8.368 0.004 . 1 . . . . . 20 LEU H . 50300 1 58 . 1 . 1 20 20 LEU C C 13 178.787 0.000 . 1 . . . . . 20 LEU C . 50300 1 59 . 1 . 1 20 20 LEU CA C 13 57.563 0.006 . 1 . . . . . 20 LEU CA . 50300 1 60 . 1 . 1 20 20 LEU CB C 13 42.137 0.054 . 1 . . . . . 20 LEU CB . 50300 1 61 . 1 . 1 20 20 LEU N N 15 127.972 0.023 . 1 . . . . . 20 LEU N . 50300 1 62 . 1 . 1 21 21 SER H H 1 8.247 0.004 . 1 . . . . . 21 SER H . 50300 1 63 . 1 . 1 21 21 SER C C 13 175.583 0.000 . 1 . . . . . 21 SER C . 50300 1 64 . 1 . 1 21 21 SER CA C 13 61.545 0.051 . 1 . . . . . 21 SER CA . 50300 1 65 . 1 . 1 21 21 SER CB C 13 63.208 0.091 . 1 . . . . . 21 SER CB . 50300 1 66 . 1 . 1 21 21 SER N N 15 113.977 0.018 . 1 . . . . . 21 SER N . 50300 1 67 . 1 . 1 22 22 THR H H 1 6.844 0.003 . 1 . . . . . 22 THR H . 50300 1 68 . 1 . 1 22 22 THR C C 13 174.009 0.000 . 1 . . . . . 22 THR C . 50300 1 69 . 1 . 1 22 22 THR CA C 13 60.382 0.036 . 1 . . . . . 22 THR CA . 50300 1 70 . 1 . 1 22 22 THR CB C 13 69.447 0.057 . 1 . . . . . 22 THR CB . 50300 1 71 . 1 . 1 22 22 THR N N 15 111.580 7.928 . 1 . . . . . 22 THR N . 50300 1 72 . 1 . 1 23 23 ALA H H 1 6.996 0.003 . 1 . . . . . 23 ALA H . 50300 1 73 . 1 . 1 23 23 ALA C C 13 177.791 0.000 . 1 . . . . . 23 ALA C . 50300 1 74 . 1 . 1 23 23 ALA CA C 13 52.446 0.015 . 1 . . . . . 23 ALA CA . 50300 1 75 . 1 . 1 23 23 ALA CB C 13 21.718 0.013 . 1 . . . . . 23 ALA CB . 50300 1 76 . 1 . 1 23 23 ALA N N 15 125.214 0.016 . 1 . . . . . 23 ALA N . 50300 1 77 . 1 . 1 24 24 THR H H 1 9.314 0.002 . 1 . . . . . 24 THR H . 50300 1 78 . 1 . 1 24 24 THR C C 13 174.339 0.000 . 1 . . . . . 24 THR C . 50300 1 79 . 1 . 1 24 24 THR CA C 13 61.960 0.032 . 1 . . . . . 24 THR CA . 50300 1 80 . 1 . 1 24 24 THR CB C 13 70.902 0.000 . 1 . . . . . 24 THR CB . 50300 1 81 . 1 . 1 24 24 THR N N 15 118.757 0.018 . 1 . . . . . 24 THR N . 50300 1 82 . 1 . 1 25 25 THR H H 1 9.165 0.001 . 1 . . . . . 25 THR H . 50300 1 83 . 1 . 1 25 25 THR C C 13 174.219 0.000 . 1 . . . . . 25 THR C . 50300 1 84 . 1 . 1 25 25 THR CA C 13 63.779 0.032 . 1 . . . . . 25 THR CA . 50300 1 85 . 1 . 1 25 25 THR CB C 13 69.007 0.000 . 1 . . . . . 25 THR CB . 50300 1 86 . 1 . 1 25 25 THR N N 15 123.923 0.005 . 1 . . . . . 25 THR N . 50300 1 87 . 1 . 1 26 26 LEU H H 1 9.178 0.003 . 1 . . . . . 26 LEU H . 50300 1 88 . 1 . 1 26 26 LEU C C 13 176.502 0.000 . 1 . . . . . 26 LEU C . 50300 1 89 . 1 . 1 26 26 LEU CA C 13 55.166 0.043 . 1 . . . . . 26 LEU CA . 50300 1 90 . 1 . 1 26 26 LEU CB C 13 44.634 0.003 . 1 . . . . . 26 LEU CB . 50300 1 91 . 1 . 1 26 26 LEU N N 15 127.775 0.022 . 1 . . . . . 26 LEU N . 50300 1 92 . 1 . 1 27 27 PHE H H 1 7.478 0.003 . 1 . . . . . 27 PHE H . 50300 1 93 . 1 . 1 27 27 PHE C C 13 173.550 0.000 . 1 . . . . . 27 PHE C . 50300 1 94 . 1 . 1 27 27 PHE CA C 13 57.882 0.005 . 1 . . . . . 27 PHE CA . 50300 1 95 . 1 . 1 27 27 PHE CB C 13 43.774 0.025 . 1 . . . . . 27 PHE CB . 50300 1 96 . 1 . 1 27 27 PHE N N 15 119.007 0.015 . 1 . . . . . 27 PHE N . 50300 1 97 . 1 . 1 28 28 TRP H H 1 8.809 0.004 . 1 . . . . . 28 TRP H . 50300 1 98 . 1 . 1 28 28 TRP C C 13 173.741 0.000 . 1 . . . . . 28 TRP C . 50300 1 99 . 1 . 1 28 28 TRP CA C 13 54.677 0.003 . 1 . . . . . 28 TRP CA . 50300 1 100 . 1 . 1 28 28 TRP CB C 13 28.703 0.026 . 1 . . . . . 28 TRP CB . 50300 1 101 . 1 . 1 28 28 TRP N N 15 131.837 0.030 . 1 . . . . . 28 TRP N . 50300 1 102 . 1 . 1 29 29 ARG H H 1 8.323 0.004 . 1 . . . . . 29 ARG H . 50300 1 103 . 1 . 1 29 29 ARG CA C 13 54.660 0.000 . 1 . . . . . 29 ARG CA . 50300 1 104 . 1 . 1 29 29 ARG CB C 13 33.197 0.000 . 1 . . . . . 29 ARG CB . 50300 1 105 . 1 . 1 29 29 ARG N N 15 123.354 0.011 . 1 . . . . . 29 ARG N . 50300 1 106 . 1 . 1 30 30 PRO C C 13 176.534 0.000 . 1 . . . . . 30 PRO C . 50300 1 107 . 1 . 1 30 30 PRO CA C 13 61.774 0.025 . 1 . . . . . 30 PRO CA . 50300 1 108 . 1 . 1 30 30 PRO CB C 13 32.390 0.014 . 1 . . . . . 30 PRO CB . 50300 1 109 . 1 . 1 31 31 VAL H H 1 9.402 0.006 . 1 . . . . . 31 VAL H . 50300 1 110 . 1 . 1 31 31 VAL CA C 13 58.868 0.000 . 1 . . . . . 31 VAL CA . 50300 1 111 . 1 . 1 31 31 VAL CB C 13 37.774 0.000 . 1 . . . . . 31 VAL CB . 50300 1 112 . 1 . 1 31 31 VAL N N 15 123.177 0.019 . 1 . . . . . 31 VAL N . 50300 1 113 . 1 . 1 32 32 PRO C C 13 176.265 0.000 . 1 . . . . . 32 PRO C . 50300 1 114 . 1 . 1 32 32 PRO CA C 13 62.932 0.003 . 1 . . . . . 32 PRO CA . 50300 1 115 . 1 . 1 32 32 PRO CB C 13 31.572 0.001 . 1 . . . . . 32 PRO CB . 50300 1 116 . 1 . 1 33 33 VAL H H 1 9.175 0.005 . 1 . . . . . 33 VAL H . 50300 1 117 . 1 . 1 33 33 VAL C C 13 174.220 0.000 . 1 . . . . . 33 VAL C . 50300 1 118 . 1 . 1 33 33 VAL CA C 13 61.031 0.045 . 1 . . . . . 33 VAL CA . 50300 1 119 . 1 . 1 33 33 VAL CB C 13 36.043 0.018 . 1 . . . . . 33 VAL CB . 50300 1 120 . 1 . 1 33 33 VAL N N 15 126.068 0.020 . 1 . . . . . 33 VAL N . 50300 1 121 . 1 . 1 34 34 HIS H H 1 9.023 0.003 . 1 . . . . . 34 HIS H . 50300 1 122 . 1 . 1 34 34 HIS C C 13 173.788 0.000 . 1 . . . . . 34 HIS C . 50300 1 123 . 1 . 1 34 34 HIS CA C 13 56.041 0.007 . 1 . . . . . 34 HIS CA . 50300 1 124 . 1 . 1 34 34 HIS CB C 13 30.160 0.027 . 1 . . . . . 34 HIS CB . 50300 1 125 . 1 . 1 34 34 HIS N N 15 127.786 0.016 . 1 . . . . . 34 HIS N . 50300 1 126 . 1 . 1 35 35 VAL H H 1 9.458 0.003 . 1 . . . . . 35 VAL H . 50300 1 127 . 1 . 1 35 35 VAL C C 13 176.260 0.000 . 1 . . . . . 35 VAL C . 50300 1 128 . 1 . 1 35 35 VAL CA C 13 62.632 0.049 . 1 . . . . . 35 VAL CA . 50300 1 129 . 1 . 1 35 35 VAL CB C 13 32.328 0.037 . 1 . . . . . 35 VAL CB . 50300 1 130 . 1 . 1 35 35 VAL N N 15 128.609 0.013 . 1 . . . . . 35 VAL N . 50300 1 131 . 1 . 1 36 36 LYS H H 1 9.308 0.005 . 1 . . . . . 36 LYS H . 50300 1 132 . 1 . 1 36 36 LYS C C 13 174.764 0.000 . 1 . . . . . 36 LYS C . 50300 1 133 . 1 . 1 36 36 LYS CA C 13 54.975 0.020 . 1 . . . . . 36 LYS CA . 50300 1 134 . 1 . 1 36 36 LYS CB C 13 34.215 0.044 . 1 . . . . . 36 LYS CB . 50300 1 135 . 1 . 1 36 36 LYS N N 15 130.787 0.012 . 1 . . . . . 36 LYS N . 50300 1 136 . 1 . 1 37 37 GLN H H 1 8.932 0.002 . 1 . . . . . 37 GLN H . 50300 1 137 . 1 . 1 37 37 GLN C C 13 174.637 0.000 . 1 . . . . . 37 GLN C . 50300 1 138 . 1 . 1 37 37 GLN CA C 13 54.948 0.031 . 1 . . . . . 37 GLN CA . 50300 1 139 . 1 . 1 37 37 GLN CB C 13 32.173 0.048 . 1 . . . . . 37 GLN CB . 50300 1 140 . 1 . 1 37 37 GLN N N 15 122.997 0.015 . 1 . . . . . 37 GLN N . 50300 1 141 . 1 . 1 38 38 GLN H H 1 8.600 0.004 . 1 . . . . . 38 GLN H . 50300 1 142 . 1 . 1 38 38 GLN C C 13 175.860 0.000 . 1 . . . . . 38 GLN C . 50300 1 143 . 1 . 1 38 38 GLN CA C 13 57.782 0.012 . 1 . . . . . 38 GLN CA . 50300 1 144 . 1 . 1 38 38 GLN CB C 13 28.849 0.026 . 1 . . . . . 38 GLN CB . 50300 1 145 . 1 . 1 38 38 GLN N N 15 122.951 0.036 . 1 . . . . . 38 GLN N . 50300 1 146 . 1 . 1 39 39 ASP H H 1 8.878 0.002 . 1 . . . . . 39 ASP H . 50300 1 147 . 1 . 1 39 39 ASP C C 13 174.765 0.000 . 1 . . . . . 39 ASP C . 50300 1 148 . 1 . 1 39 39 ASP CA C 13 55.802 0.024 . 1 . . . . . 39 ASP CA . 50300 1 149 . 1 . 1 39 39 ASP CB C 13 39.864 0.011 . 1 . . . . . 39 ASP CB . 50300 1 150 . 1 . 1 39 39 ASP N N 15 118.639 0.012 . 1 . . . . . 39 ASP N . 50300 1 151 . 1 . 1 40 40 ARG H H 1 7.888 0.003 . 1 . . . . . 40 ARG H . 50300 1 152 . 1 . 1 40 40 ARG C C 13 176.273 0.000 . 1 . . . . . 40 ARG C . 50300 1 153 . 1 . 1 40 40 ARG CA C 13 54.377 0.034 . 1 . . . . . 40 ARG CA . 50300 1 154 . 1 . 1 40 40 ARG CB C 13 33.183 0.041 . 1 . . . . . 40 ARG CB . 50300 1 155 . 1 . 1 40 40 ARG N N 15 117.373 0.018 . 1 . . . . . 40 ARG N . 50300 1 156 . 1 . 1 41 41 GLU H H 1 8.589 0.003 . 1 . . . . . 41 GLU H . 50300 1 157 . 1 . 1 41 41 GLU C C 13 176.751 0.000 . 1 . . . . . 41 GLU C . 50300 1 158 . 1 . 1 41 41 GLU CA C 13 56.501 0.027 . 1 . . . . . 41 GLU CA . 50300 1 159 . 1 . 1 41 41 GLU CB C 13 30.102 0.015 . 1 . . . . . 41 GLU CB . 50300 1 160 . 1 . 1 41 41 GLU N N 15 122.130 0.028 . 1 . . . . . 41 GLU N . 50300 1 161 . 1 . 1 42 42 ASP H H 1 8.738 0.002 . 1 . . . . . 42 ASP H . 50300 1 162 . 1 . 1 42 42 ASP C C 13 175.863 0.000 . 1 . . . . . 42 ASP C . 50300 1 163 . 1 . 1 42 42 ASP CA C 13 55.456 0.077 . 1 . . . . . 42 ASP CA . 50300 1 164 . 1 . 1 42 42 ASP CB C 13 40.991 0.032 . 1 . . . . . 42 ASP CB . 50300 1 165 . 1 . 1 42 42 ASP N N 15 124.270 0.009 . 1 . . . . . 42 ASP N . 50300 1 166 . 1 . 1 43 43 VAL H H 1 8.224 0.003 . 1 . . . . . 43 VAL H . 50300 1 167 . 1 . 1 43 43 VAL C C 13 173.265 0.000 . 1 . . . . . 43 VAL C . 50300 1 168 . 1 . 1 43 43 VAL CA C 13 60.527 0.034 . 1 . . . . . 43 VAL CA . 50300 1 169 . 1 . 1 43 43 VAL CB C 13 35.917 0.032 . 1 . . . . . 43 VAL CB . 50300 1 170 . 1 . 1 43 43 VAL N N 15 118.838 0.070 . 1 . . . . . 43 VAL N . 50300 1 171 . 1 . 1 44 44 LEU H H 1 8.310 0.004 . 1 . . . . . 44 LEU H . 50300 1 172 . 1 . 1 44 44 LEU C C 13 175.803 0.000 . 1 . . . . . 44 LEU C . 50300 1 173 . 1 . 1 44 44 LEU CA C 13 54.055 0.050 . 1 . . . . . 44 LEU CA . 50300 1 174 . 1 . 1 44 44 LEU CB C 13 42.567 0.024 . 1 . . . . . 44 LEU CB . 50300 1 175 . 1 . 1 44 44 LEU N N 15 128.154 0.012 . 1 . . . . . 44 LEU N . 50300 1 176 . 1 . 1 45 45 GLU H H 1 9.009 0.003 . 1 . . . . . 45 GLU H . 50300 1 177 . 1 . 1 45 45 GLU C C 13 174.877 0.000 . 1 . . . . . 45 GLU C . 50300 1 178 . 1 . 1 45 45 GLU CA C 13 54.301 0.000 . 1 . . . . . 45 GLU CA . 50300 1 179 . 1 . 1 45 45 GLU CB C 13 33.839 0.020 . 1 . . . . . 45 GLU CB . 50300 1 180 . 1 . 1 45 45 GLU N N 15 127.331 0.017 . 1 . . . . . 45 GLU N . 50300 1 181 . 1 . 1 46 46 GLU H H 1 8.726 0.003 . 1 . . . . . 46 GLU H . 50300 1 182 . 1 . 1 46 46 GLU C C 13 175.770 0.000 . 1 . . . . . 46 GLU C . 50300 1 183 . 1 . 1 46 46 GLU CA C 13 56.075 0.023 . 1 . . . . . 46 GLU CA . 50300 1 184 . 1 . 1 46 46 GLU CB C 13 29.486 0.163 . 1 . . . . . 46 GLU CB . 50300 1 185 . 1 . 1 46 46 GLU N N 15 122.497 0.062 . 1 . . . . . 46 GLU N . 50300 1 186 . 1 . 1 47 47 LEU H H 1 8.580 0.005 . 1 . . . . . 47 LEU H . 50300 1 187 . 1 . 1 47 47 LEU C C 13 176.110 0.000 . 1 . . . . . 47 LEU C . 50300 1 188 . 1 . 1 47 47 LEU CA C 13 53.252 0.045 . 1 . . . . . 47 LEU CA . 50300 1 189 . 1 . 1 47 47 LEU CB C 13 43.639 0.060 . 1 . . . . . 47 LEU CB . 50300 1 190 . 1 . 1 47 47 LEU N N 15 127.435 0.017 . 1 . . . . . 47 LEU N . 50300 1 191 . 1 . 1 48 48 THR H H 1 8.944 0.007 . 1 . . . . . 48 THR H . 50300 1 192 . 1 . 1 48 48 THR C C 13 173.371 0.000 . 1 . . . . . 48 THR C . 50300 1 193 . 1 . 1 48 48 THR CA C 13 64.428 0.006 . 1 . . . . . 48 THR CA . 50300 1 194 . 1 . 1 48 48 THR CB C 13 68.602 0.004 . 1 . . . . . 48 THR CB . 50300 1 195 . 1 . 1 48 48 THR N N 15 120.168 0.024 . 1 . . . . . 48 THR N . 50300 1 196 . 1 . 1 49 49 PHE H H 1 8.673 0.003 . 1 . . . . . 49 PHE H . 50300 1 197 . 1 . 1 49 49 PHE C C 13 174.498 0.000 . 1 . . . . . 49 PHE C . 50300 1 198 . 1 . 1 49 49 PHE CA C 13 56.946 0.014 . 1 . . . . . 49 PHE CA . 50300 1 199 . 1 . 1 49 49 PHE CB C 13 42.630 0.048 . 1 . . . . . 49 PHE CB . 50300 1 200 . 1 . 1 49 49 PHE N N 15 128.557 0.020 . 1 . . . . . 49 PHE N . 50300 1 201 . 1 . 1 50 50 ARG H H 1 8.944 0.004 . 1 . . . . . 50 ARG H . 50300 1 202 . 1 . 1 50 50 ARG C C 13 175.021 0.000 . 1 . . . . . 50 ARG C . 50300 1 203 . 1 . 1 50 50 ARG CA C 13 54.766 0.022 . 1 . . . . . 50 ARG CA . 50300 1 204 . 1 . 1 50 50 ARG CB C 13 34.245 0.015 . 1 . . . . . 50 ARG CB . 50300 1 205 . 1 . 1 50 50 ARG N N 15 122.552 0.121 . 1 . . . . . 50 ARG N . 50300 1 206 . 1 . 1 51 51 ILE H H 1 9.068 0.006 . 1 . . . . . 51 ILE H . 50300 1 207 . 1 . 1 51 51 ILE C C 13 174.272 0.000 . 1 . . . . . 51 ILE C . 50300 1 208 . 1 . 1 51 51 ILE CA C 13 60.967 0.022 . 1 . . . . . 51 ILE CA . 50300 1 209 . 1 . 1 51 51 ILE CB C 13 39.320 0.126 . 1 . . . . . 51 ILE CB . 50300 1 210 . 1 . 1 51 51 ILE N N 15 125.333 0.025 . 1 . . . . . 51 ILE N . 50300 1 211 . 1 . 1 52 52 LEU H H 1 9.621 0.004 . 1 . . . . . 52 LEU H . 50300 1 212 . 1 . 1 52 52 LEU C C 13 175.313 0.000 . 1 . . . . . 52 LEU C . 50300 1 213 . 1 . 1 52 52 LEU CA C 13 54.206 0.049 . 1 . . . . . 52 LEU CA . 50300 1 214 . 1 . 1 52 52 LEU CB C 13 46.925 0.014 . 1 . . . . . 52 LEU CB . 50300 1 215 . 1 . 1 52 52 LEU N N 15 128.297 0.014 . 1 . . . . . 52 LEU N . 50300 1 216 . 1 . 1 53 53 THR H H 1 8.875 0.003 . 1 . . . . . 53 THR H . 50300 1 217 . 1 . 1 53 53 THR C C 13 173.546 0.000 . 1 . . . . . 53 THR C . 50300 1 218 . 1 . 1 53 53 THR CA C 13 59.036 0.031 . 1 . . . . . 53 THR CA . 50300 1 219 . 1 . 1 53 53 THR CB C 13 71.444 0.029 . 1 . . . . . 53 THR CB . 50300 1 220 . 1 . 1 53 53 THR N N 15 111.254 0.014 . 1 . . . . . 53 THR N . 50300 1 221 . 1 . 1 54 54 GLY H H 1 8.639 0.004 . 1 . . . . . 54 GLY H . 50300 1 222 . 1 . 1 54 54 GLY C C 13 172.530 0.000 . 1 . . . . . 54 GLY C . 50300 1 223 . 1 . 1 54 54 GLY CA C 13 45.955 0.026 . 1 . . . . . 54 GLY CA . 50300 1 224 . 1 . 1 54 54 GLY N N 15 111.479 0.020 . 1 . . . . . 54 GLY N . 50300 1 225 . 1 . 1 55 55 VAL H H 1 9.100 0.004 . 1 . . . . . 55 VAL H . 50300 1 226 . 1 . 1 55 55 VAL C C 13 174.574 0.000 . 1 . . . . . 55 VAL C . 50300 1 227 . 1 . 1 55 55 VAL CA C 13 58.687 0.037 . 1 . . . . . 55 VAL CA . 50300 1 228 . 1 . 1 55 55 VAL CB C 13 36.019 0.007 . 1 . . . . . 55 VAL CB . 50300 1 229 . 1 . 1 55 55 VAL N N 15 118.010 0.015 . 1 . . . . . 55 VAL N . 50300 1 230 . 1 . 1 56 56 ALA H H 1 7.749 0.007 . 1 . . . . . 56 ALA H . 50300 1 231 . 1 . 1 56 56 ALA C C 13 178.691 0.000 . 1 . . . . . 56 ALA C . 50300 1 232 . 1 . 1 56 56 ALA CA C 13 51.119 0.017 . 1 . . . . . 56 ALA CA . 50300 1 233 . 1 . 1 56 56 ALA CB C 13 19.215 0.015 . 1 . . . . . 56 ALA CB . 50300 1 234 . 1 . 1 56 56 ALA N N 15 122.204 0.023 . 1 . . . . . 56 ALA N . 50300 1 235 . 1 . 1 57 57 LYS H H 1 9.048 0.003 . 1 . . . . . 57 LYS H . 50300 1 236 . 1 . 1 57 57 LYS C C 13 178.014 0.000 . 1 . . . . . 57 LYS C . 50300 1 237 . 1 . 1 57 57 LYS CA C 13 59.428 0.043 . 1 . . . . . 57 LYS CA . 50300 1 238 . 1 . 1 57 57 LYS CB C 13 33.414 0.011 . 1 . . . . . 57 LYS CB . 50300 1 239 . 1 . 1 57 57 LYS N N 15 122.665 0.013 . 1 . . . . . 57 LYS N . 50300 1 240 . 1 . 1 58 58 GLN H H 1 8.981 0.003 . 1 . . . . . 58 GLN H . 50300 1 241 . 1 . 1 58 58 GLN C C 13 175.600 0.000 . 1 . . . . . 58 GLN C . 50300 1 242 . 1 . 1 58 58 GLN CA C 13 55.863 0.019 . 1 . . . . . 58 GLN CA . 50300 1 243 . 1 . 1 58 58 GLN CB C 13 27.648 0.013 . 1 . . . . . 58 GLN CB . 50300 1 244 . 1 . 1 58 58 GLN N N 15 113.832 0.024 . 1 . . . . . 58 GLN N . 50300 1 245 . 1 . 1 59 59 ASN H H 1 7.135 0.004 . 1 . . . . . 59 ASN H . 50300 1 246 . 1 . 1 59 59 ASN CA C 13 53.199 0.000 . 1 . . . . . 59 ASN CA . 50300 1 247 . 1 . 1 59 59 ASN CB C 13 38.190 0.000 . 1 . . . . . 59 ASN CB . 50300 1 248 . 1 . 1 59 59 ASN N N 15 116.157 0.057 . 1 . . . . . 59 ASN N . 50300 1 249 . 1 . 1 60 60 HIS C C 13 174.269 0.000 . 1 . . . . . 60 HIS C . 50300 1 250 . 1 . 1 60 60 HIS CA C 13 57.051 0.058 . 1 . . . . . 60 HIS CA . 50300 1 251 . 1 . 1 60 60 HIS CB C 13 29.364 0.007 . 1 . . . . . 60 HIS CB . 50300 1 252 . 1 . 1 61 61 ASN H H 1 7.975 0.006 . 1 . . . . . 61 ASN H . 50300 1 253 . 1 . 1 61 61 ASN C C 13 174.234 0.000 . 1 . . . . . 61 ASN C . 50300 1 254 . 1 . 1 61 61 ASN CA C 13 53.446 0.002 . 1 . . . . . 61 ASN CA . 50300 1 255 . 1 . 1 61 61 ASN CB C 13 39.209 0.042 . 1 . . . . . 61 ASN CB . 50300 1 256 . 1 . 1 61 61 ASN N N 15 114.514 0.013 . 1 . . . . . 61 ASN N . 50300 1 257 . 1 . 1 62 62 LEU H H 1 7.755 0.003 . 1 . . . . . 62 LEU H . 50300 1 258 . 1 . 1 62 62 LEU C C 13 174.023 0.000 . 1 . . . . . 62 LEU C . 50300 1 259 . 1 . 1 62 62 LEU CA C 13 54.222 0.035 . 1 . . . . . 62 LEU CA . 50300 1 260 . 1 . 1 62 62 LEU CB C 13 42.504 0.026 . 1 . . . . . 62 LEU CB . 50300 1 261 . 1 . 1 62 62 LEU N N 15 124.355 0.013 . 1 . . . . . 62 LEU N . 50300 1 262 . 1 . 1 63 63 ARG H H 1 8.645 0.005 . 1 . . . . . 63 ARG H . 50300 1 263 . 1 . 1 63 63 ARG C C 13 176.140 0.000 . 1 . . . . . 63 ARG C . 50300 1 264 . 1 . 1 63 63 ARG CA C 13 56.381 0.054 . 1 . . . . . 63 ARG CA . 50300 1 265 . 1 . 1 63 63 ARG CB C 13 31.873 0.027 . 1 . . . . . 63 ARG CB . 50300 1 266 . 1 . 1 63 63 ARG N N 15 125.091 0.018 . 1 . . . . . 63 ARG N . 50300 1 267 . 1 . 1 64 64 ILE H H 1 8.813 0.003 . 1 . . . . . 64 ILE H . 50300 1 268 . 1 . 1 64 64 ILE C C 13 173.636 0.000 . 1 . . . . . 64 ILE C . 50300 1 269 . 1 . 1 64 64 ILE CA C 13 60.771 0.043 . 1 . . . . . 64 ILE CA . 50300 1 270 . 1 . 1 64 64 ILE CB C 13 43.473 0.026 . 1 . . . . . 64 ILE CB . 50300 1 271 . 1 . 1 64 64 ILE N N 15 120.747 0.016 . 1 . . . . . 64 ILE N . 50300 1 272 . 1 . 1 65 65 LEU H H 1 8.890 0.003 . 1 . . . . . 65 LEU H . 50300 1 273 . 1 . 1 65 65 LEU C C 13 173.867 0.000 . 1 . . . . . 65 LEU C . 50300 1 274 . 1 . 1 65 65 LEU CA C 13 53.329 0.001 . 1 . . . . . 65 LEU CA . 50300 1 275 . 1 . 1 65 65 LEU CB C 13 45.321 0.023 . 1 . . . . . 65 LEU CB . 50300 1 276 . 1 . 1 65 65 LEU N N 15 128.582 0.013 . 1 . . . . . 65 LEU N . 50300 1 277 . 1 . 1 66 66 ARG H H 1 9.185 0.003 . 1 . . . . . 66 ARG H . 50300 1 278 . 1 . 1 66 66 ARG C C 13 174.235 0.000 . 1 . . . . . 66 ARG C . 50300 1 279 . 1 . 1 66 66 ARG CA C 13 53.918 0.076 . 1 . . . . . 66 ARG CA . 50300 1 280 . 1 . 1 66 66 ARG CB C 13 34.915 0.064 . 1 . . . . . 66 ARG CB . 50300 1 281 . 1 . 1 66 66 ARG N N 15 126.814 0.016 . 1 . . . . . 66 ARG N . 50300 1 282 . 1 . 1 67 67 ILE H H 1 9.072 0.007 . 1 . . . . . 67 ILE H . 50300 1 283 . 1 . 1 67 67 ILE C C 13 174.139 0.000 . 1 . . . . . 67 ILE C . 50300 1 284 . 1 . 1 67 67 ILE CA C 13 60.367 0.000 . 1 . . . . . 67 ILE CA . 50300 1 285 . 1 . 1 67 67 ILE N N 15 122.115 0.051 . 1 . . . . . 67 ILE N . 50300 1 286 . 1 . 1 69 69 ILE C C 13 174.333 0.000 . 1 . . . . . 69 ILE C . 50300 1 287 . 1 . 1 69 69 ILE CA C 13 60.498 0.000 . 1 . . . . . 69 ILE CA . 50300 1 288 . 1 . 1 69 69 ILE CB C 13 39.662 0.000 . 1 . . . . . 69 ILE CB . 50300 1 289 . 1 . 1 70 70 SER H H 1 9.125 0.012 . 1 . . . . . 70 SER H . 50300 1 290 . 1 . 1 70 70 SER C C 13 172.481 0.000 . 1 . . . . . 70 SER C . 50300 1 291 . 1 . 1 70 70 SER CA C 13 56.946 0.006 . 1 . . . . . 70 SER CA . 50300 1 292 . 1 . 1 70 70 SER CB C 13 66.446 0.016 . 1 . . . . . 70 SER CB . 50300 1 293 . 1 . 1 70 70 SER N N 15 120.663 0.022 . 1 . . . . . 70 SER N . 50300 1 294 . 1 . 1 71 71 SER H H 1 8.963 0.004 . 1 . . . . . 71 SER H . 50300 1 295 . 1 . 1 71 71 SER C C 13 175.403 0.000 . 1 . . . . . 71 SER C . 50300 1 296 . 1 . 1 71 71 SER CA C 13 55.847 0.065 . 1 . . . . . 71 SER CA . 50300 1 297 . 1 . 1 71 71 SER CB C 13 64.840 0.043 . 1 . . . . . 71 SER CB . 50300 1 298 . 1 . 1 71 71 SER N N 15 113.122 0.020 . 1 . . . . . 71 SER N . 50300 1 299 . 1 . 1 72 72 ASP H H 1 9.104 0.003 . 1 . . . . . 72 ASP H . 50300 1 300 . 1 . 1 72 72 ASP C C 13 176.421 0.000 . 1 . . . . . 72 ASP C . 50300 1 301 . 1 . 1 72 72 ASP CA C 13 55.972 0.044 . 1 . . . . . 72 ASP CA . 50300 1 302 . 1 . 1 72 72 ASP CB C 13 40.667 0.066 . 1 . . . . . 72 ASP CB . 50300 1 303 . 1 . 1 72 72 ASP N N 15 127.529 0.010 . 1 . . . . . 72 ASP N . 50300 1 304 . 1 . 1 73 73 SER H H 1 8.131 0.003 . 1 . . . . . 73 SER H . 50300 1 305 . 1 . 1 73 73 SER C C 13 174.005 0.000 . 1 . . . . . 73 SER C . 50300 1 306 . 1 . 1 73 73 SER CA C 13 58.514 0.036 . 1 . . . . . 73 SER CA . 50300 1 307 . 1 . 1 73 73 SER CB C 13 64.079 0.010 . 1 . . . . . 73 SER CB . 50300 1 308 . 1 . 1 73 73 SER N N 15 112.653 0.054 . 1 . . . . . 73 SER N . 50300 1 309 . 1 . 1 74 74 ASP H H 1 7.475 0.007 . 1 . . . . . 74 ASP H . 50300 1 310 . 1 . 1 74 74 ASP N N 15 121.000 0.034 . 1 . . . . . 74 ASP N . 50300 1 311 . 1 . 1 80 80 THR C C 13 172.293 0.000 . 1 . . . . . 80 THR C . 50300 1 312 . 1 . 1 81 81 LEU H H 1 8.815 0.004 . 1 . . . . . 81 LEU H . 50300 1 313 . 1 . 1 81 81 LEU C C 13 174.194 0.000 . 1 . . . . . 81 LEU C . 50300 1 314 . 1 . 1 81 81 LEU CA C 13 54.189 0.029 . 1 . . . . . 81 LEU CA . 50300 1 315 . 1 . 1 81 81 LEU CB C 13 44.887 0.045 . 1 . . . . . 81 LEU CB . 50300 1 316 . 1 . 1 81 81 LEU N N 15 126.846 0.023 . 1 . . . . . 81 LEU N . 50300 1 317 . 1 . 1 82 82 GLU H H 1 8.556 0.005 . 1 . . . . . 82 GLU H . 50300 1 318 . 1 . 1 82 82 GLU C C 13 174.888 0.000 . 1 . . . . . 82 GLU C . 50300 1 319 . 1 . 1 82 82 GLU CA C 13 55.417 0.025 . 1 . . . . . 82 GLU CA . 50300 1 320 . 1 . 1 82 82 GLU CB C 13 33.085 0.041 . 1 . . . . . 82 GLU CB . 50300 1 321 . 1 . 1 82 82 GLU N N 15 126.427 0.016 . 1 . . . . . 82 GLU N . 50300 1 322 . 1 . 1 83 83 VAL H H 1 9.303 0.003 . 1 . . . . . 83 VAL H . 50300 1 323 . 1 . 1 83 83 VAL C C 13 174.125 0.000 . 1 . . . . . 83 VAL C . 50300 1 324 . 1 . 1 83 83 VAL CA C 13 60.333 0.004 . 1 . . . . . 83 VAL CA . 50300 1 325 . 1 . 1 83 83 VAL CB C 13 35.614 0.012 . 1 . . . . . 83 VAL CB . 50300 1 326 . 1 . 1 83 83 VAL N N 15 124.564 0.025 . 1 . . . . . 83 VAL N . 50300 1 327 . 1 . 1 84 84 SER H H 1 9.707 0.003 . 1 . . . . . 84 SER H . 50300 1 328 . 1 . 1 84 84 SER C C 13 175.640 0.000 . 1 . . . . . 84 SER C . 50300 1 329 . 1 . 1 84 84 SER CA C 13 56.472 0.042 . 1 . . . . . 84 SER CA . 50300 1 330 . 1 . 1 84 84 SER CB C 13 66.408 0.006 . 1 . . . . . 84 SER CB . 50300 1 331 . 1 . 1 84 84 SER N N 15 124.481 0.014 . 1 . . . . . 84 SER N . 50300 1 332 . 1 . 1 85 85 GLU H H 1 8.442 0.003 . 1 . . . . . 85 GLU H . 50300 1 333 . 1 . 1 85 85 GLU C C 13 178.021 0.000 . 1 . . . . . 85 GLU C . 50300 1 334 . 1 . 1 85 85 GLU CA C 13 59.889 0.009 . 1 . . . . . 85 GLU CA . 50300 1 335 . 1 . 1 85 85 GLU CB C 13 29.630 0.003 . 1 . . . . . 85 GLU CB . 50300 1 336 . 1 . 1 85 85 GLU N N 15 120.551 0.023 . 1 . . . . . 85 GLU N . 50300 1 337 . 1 . 1 86 86 GLU H H 1 7.459 0.003 . 1 . . . . . 86 GLU H . 50300 1 338 . 1 . 1 86 86 GLU C C 13 178.966 0.000 . 1 . . . . . 86 GLU C . 50300 1 339 . 1 . 1 86 86 GLU CA C 13 58.726 0.017 . 1 . . . . . 86 GLU CA . 50300 1 340 . 1 . 1 86 86 GLU CB C 13 29.821 0.024 . 1 . . . . . 86 GLU CB . 50300 1 341 . 1 . 1 86 86 GLU N N 15 116.760 0.014 . 1 . . . . . 86 GLU N . 50300 1 342 . 1 . 1 87 87 ASP H H 1 7.700 0.003 . 1 . . . . . 87 ASP H . 50300 1 343 . 1 . 1 87 87 ASP C C 13 178.523 0.000 . 1 . . . . . 87 ASP C . 50300 1 344 . 1 . 1 87 87 ASP CA C 13 56.389 0.039 . 1 . . . . . 87 ASP CA . 50300 1 345 . 1 . 1 87 87 ASP CB C 13 41.039 0.068 . 1 . . . . . 87 ASP CB . 50300 1 346 . 1 . 1 87 87 ASP N N 15 121.127 0.013 . 1 . . . . . 87 ASP N . 50300 1 347 . 1 . 1 88 88 PHE H H 1 8.324 0.004 . 1 . . . . . 88 PHE H . 50300 1 348 . 1 . 1 88 88 PHE C C 13 175.441 0.000 . 1 . . . . . 88 PHE C . 50300 1 349 . 1 . 1 88 88 PHE CA C 13 61.117 0.033 . 1 . . . . . 88 PHE CA . 50300 1 350 . 1 . 1 88 88 PHE CB C 13 39.842 0.013 . 1 . . . . . 88 PHE CB . 50300 1 351 . 1 . 1 88 88 PHE N N 15 120.278 0.059 . 1 . . . . . 88 PHE N . 50300 1 352 . 1 . 1 89 89 GLN H H 1 7.729 0.006 . 1 . . . . . 89 GLN H . 50300 1 353 . 1 . 1 89 89 GLN C C 13 177.576 0.000 . 1 . . . . . 89 GLN C . 50300 1 354 . 1 . 1 89 89 GLN CA C 13 58.670 0.074 . 1 . . . . . 89 GLN CA . 50300 1 355 . 1 . 1 89 89 GLN CB C 13 27.891 0.038 . 1 . . . . . 89 GLN CB . 50300 1 356 . 1 . 1 89 89 GLN N N 15 115.792 0.012 . 1 . . . . . 89 GLN N . 50300 1 357 . 1 . 1 90 90 SER H H 1 7.530 0.004 . 1 . . . . . 90 SER H . 50300 1 358 . 1 . 1 90 90 SER C C 13 175.658 0.000 . 1 . . . . . 90 SER C . 50300 1 359 . 1 . 1 90 90 SER CA C 13 60.736 0.034 . 1 . . . . . 90 SER CA . 50300 1 360 . 1 . 1 90 90 SER CB C 13 62.994 0.042 . 1 . . . . . 90 SER CB . 50300 1 361 . 1 . 1 90 90 SER N N 15 112.406 0.014 . 1 . . . . . 90 SER N . 50300 1 362 . 1 . 1 91 91 LEU H H 1 7.283 0.003 . 1 . . . . . 91 LEU H . 50300 1 363 . 1 . 1 91 91 LEU C C 13 178.711 0.000 . 1 . . . . . 91 LEU C . 50300 1 364 . 1 . 1 91 91 LEU CA C 13 57.495 0.050 . 1 . . . . . 91 LEU CA . 50300 1 365 . 1 . 1 91 91 LEU CB C 13 42.395 0.028 . 1 . . . . . 91 LEU CB . 50300 1 366 . 1 . 1 91 91 LEU N N 15 122.930 0.021 . 1 . . . . . 91 LEU N . 50300 1 367 . 1 . 1 92 92 LYS H H 1 8.084 0.003 . 1 . . . . . 92 LYS H . 50300 1 368 . 1 . 1 92 92 LYS C C 13 178.199 0.000 . 1 . . . . . 92 LYS C . 50300 1 369 . 1 . 1 92 92 LYS CA C 13 59.246 0.007 . 1 . . . . . 92 LYS CA . 50300 1 370 . 1 . 1 92 92 LYS CB C 13 31.601 0.003 . 1 . . . . . 92 LYS CB . 50300 1 371 . 1 . 1 92 92 LYS N N 15 118.773 0.024 . 1 . . . . . 92 LYS N . 50300 1 372 . 1 . 1 93 93 ASN H H 1 7.692 0.003 . 1 . . . . . 93 ASN H . 50300 1 373 . 1 . 1 93 93 ASN C C 13 176.554 0.000 . 1 . . . . . 93 ASN C . 50300 1 374 . 1 . 1 93 93 ASN CA C 13 55.010 0.031 . 1 . . . . . 93 ASN CA . 50300 1 375 . 1 . 1 93 93 ASN CB C 13 38.569 0.028 . 1 . . . . . 93 ASN CB . 50300 1 376 . 1 . 1 93 93 ASN N N 15 117.057 0.016 . 1 . . . . . 93 ASN N . 50300 1 377 . 1 . 1 94 94 ASP H H 1 8.053 0.004 . 1 . . . . . 94 ASP H . 50300 1 378 . 1 . 1 94 94 ASP C C 13 177.282 0.000 . 1 . . . . . 94 ASP C . 50300 1 379 . 1 . 1 94 94 ASP CA C 13 56.179 0.031 . 1 . . . . . 94 ASP CA . 50300 1 380 . 1 . 1 94 94 ASP CB C 13 41.425 0.020 . 1 . . . . . 94 ASP CB . 50300 1 381 . 1 . 1 94 94 ASP N N 15 118.980 0.022 . 1 . . . . . 94 ASP N . 50300 1 382 . 1 . 1 95 95 GLN H H 1 7.833 0.004 . 1 . . . . . 95 GLN H . 50300 1 383 . 1 . 1 95 95 GLN C C 13 176.253 0.000 . 1 . . . . . 95 GLN C . 50300 1 384 . 1 . 1 95 95 GLN CA C 13 54.905 0.011 . 1 . . . . . 95 GLN CA . 50300 1 385 . 1 . 1 95 95 GLN CB C 13 29.368 0.013 . 1 . . . . . 95 GLN CB . 50300 1 386 . 1 . 1 95 95 GLN N N 15 114.443 0.024 . 1 . . . . . 95 GLN N . 50300 1 387 . 1 . 1 96 96 GLY H H 1 7.912 0.004 . 1 . . . . . 96 GLY H . 50300 1 388 . 1 . 1 96 96 GLY C C 13 174.349 0.000 . 1 . . . . . 96 GLY C . 50300 1 389 . 1 . 1 96 96 GLY CA C 13 46.655 0.026 . 1 . . . . . 96 GLY CA . 50300 1 390 . 1 . 1 96 96 GLY N N 15 110.197 0.053 . 1 . . . . . 96 GLY N . 50300 1 391 . 1 . 1 97 97 ILE H H 1 7.470 0.002 . 1 . . . . . 97 ILE H . 50300 1 392 . 1 . 1 97 97 ILE C C 13 175.313 0.000 . 1 . . . . . 97 ILE C . 50300 1 393 . 1 . 1 97 97 ILE CA C 13 60.819 0.000 . 1 . . . . . 97 ILE CA . 50300 1 394 . 1 . 1 97 97 ILE CB C 13 39.562 0.000 . 1 . . . . . 97 ILE CB . 50300 1 395 . 1 . 1 97 97 ILE N N 15 117.194 0.026 . 1 . . . . . 97 ILE N . 50300 1 396 . 1 . 1 98 98 LEU C C 13 177.287 0.000 . 1 . . . . . 98 LEU C . 50300 1 397 . 1 . 1 98 98 LEU CA C 13 55.509 0.000 . 1 . . . . . 98 LEU CA . 50300 1 398 . 1 . 1 98 98 LEU CB C 13 42.236 0.062 . 1 . . . . . 98 LEU CB . 50300 1 399 . 1 . 1 99 99 VAL H H 1 7.432 0.003 . 1 . . . . . 99 VAL H . 50300 1 400 . 1 . 1 99 99 VAL C C 13 173.913 0.000 . 1 . . . . . 99 VAL C . 50300 1 401 . 1 . 1 99 99 VAL CA C 13 60.247 0.024 . 1 . . . . . 99 VAL CA . 50300 1 402 . 1 . 1 99 99 VAL CB C 13 34.140 0.010 . 1 . . . . . 99 VAL CB . 50300 1 403 . 1 . 1 99 99 VAL N N 15 115.304 0.013 . 1 . . . . . 99 VAL N . 50300 1 404 . 1 . 1 100 100 ASP H H 1 7.933 0.003 . 1 . . . . . 100 ASP H . 50300 1 405 . 1 . 1 100 100 ASP C C 13 175.807 0.000 . 1 . . . . . 100 ASP C . 50300 1 406 . 1 . 1 100 100 ASP CA C 13 52.570 0.006 . 1 . . . . . 100 ASP CA . 50300 1 407 . 1 . 1 100 100 ASP CB C 13 42.161 0.040 . 1 . . . . . 100 ASP CB . 50300 1 408 . 1 . 1 100 100 ASP N N 15 118.472 0.009 . 1 . . . . . 100 ASP N . 50300 1 409 . 1 . 1 101 101 PHE H H 1 8.790 0.003 . 1 . . . . . 101 PHE H . 50300 1 410 . 1 . 1 101 101 PHE C C 13 177.838 0.000 . 1 . . . . . 101 PHE C . 50300 1 411 . 1 . 1 101 101 PHE CA C 13 61.659 0.012 . 1 . . . . . 101 PHE CA . 50300 1 412 . 1 . 1 101 101 PHE CB C 13 39.094 0.046 . 1 . . . . . 101 PHE CB . 50300 1 413 . 1 . 1 101 101 PHE N N 15 120.795 0.026 . 1 . . . . . 101 PHE N . 50300 1 414 . 1 . 1 102 102 ALA H H 1 8.407 0.003 . 1 . . . . . 102 ALA H . 50300 1 415 . 1 . 1 102 102 ALA C C 13 180.086 0.000 . 1 . . . . . 102 ALA C . 50300 1 416 . 1 . 1 102 102 ALA CA C 13 54.625 0.006 . 1 . . . . . 102 ALA CA . 50300 1 417 . 1 . 1 102 102 ALA CB C 13 18.259 0.012 . 1 . . . . . 102 ALA CB . 50300 1 418 . 1 . 1 102 102 ALA N N 15 118.884 0.016 . 1 . . . . . 102 ALA N . 50300 1 419 . 1 . 1 103 103 SER H H 1 7.825 0.003 . 1 . . . . . 103 SER H . 50300 1 420 . 1 . 1 103 103 SER C C 13 174.777 0.000 . 1 . . . . . 103 SER C . 50300 1 421 . 1 . 1 103 103 SER CA C 13 59.318 0.016 . 1 . . . . . 103 SER CA . 50300 1 422 . 1 . 1 103 103 SER CB C 13 63.773 0.005 . 1 . . . . . 103 SER CB . 50300 1 423 . 1 . 1 103 103 SER N N 15 111.688 0.019 . 1 . . . . . 103 SER N . 50300 1 424 . 1 . 1 104 104 PHE H H 1 7.789 0.002 . 1 . . . . . 104 PHE H . 50300 1 425 . 1 . 1 104 104 PHE CA C 13 61.217 0.000 . 1 . . . . . 104 PHE CA . 50300 1 426 . 1 . 1 104 104 PHE CB C 13 37.200 0.000 . 1 . . . . . 104 PHE CB . 50300 1 427 . 1 . 1 104 104 PHE N N 15 123.326 0.020 . 1 . . . . . 104 PHE N . 50300 1 428 . 1 . 1 105 105 PRO C C 13 177.626 0.000 . 1 . . . . . 105 PRO C . 50300 1 429 . 1 . 1 105 105 PRO CA C 13 66.441 0.020 . 1 . . . . . 105 PRO CA . 50300 1 430 . 1 . 1 105 105 PRO CB C 13 29.846 0.014 . 1 . . . . . 105 PRO CB . 50300 1 431 . 1 . 1 106 106 GLY H H 1 8.050 0.004 . 1 . . . . . 106 GLY H . 50300 1 432 . 1 . 1 106 106 GLY C C 13 176.580 0.000 . 1 . . . . . 106 GLY C . 50300 1 433 . 1 . 1 106 106 GLY CA C 13 46.825 0.027 . 1 . . . . . 106 GLY CA . 50300 1 434 . 1 . 1 106 106 GLY N N 15 103.462 0.015 . 1 . . . . . 106 GLY N . 50300 1 435 . 1 . 1 107 107 LYS H H 1 7.744 0.003 . 1 . . . . . 107 LYS H . 50300 1 436 . 1 . 1 107 107 LYS C C 13 178.642 0.000 . 1 . . . . . 107 LYS C . 50300 1 437 . 1 . 1 107 107 LYS CA C 13 58.294 0.013 . 1 . . . . . 107 LYS CA . 50300 1 438 . 1 . 1 107 107 LYS CB C 13 31.602 0.034 . 1 . . . . . 107 LYS CB . 50300 1 439 . 1 . 1 107 107 LYS N N 15 123.036 0.022 . 1 . . . . . 107 LYS N . 50300 1 440 . 1 . 1 108 108 ILE H H 1 7.768 0.008 . 1 . . . . . 108 ILE H . 50300 1 441 . 1 . 1 108 108 ILE C C 13 177.106 0.000 . 1 . . . . . 108 ILE C . 50300 1 442 . 1 . 1 108 108 ILE CA C 13 65.191 0.044 . 1 . . . . . 108 ILE CA . 50300 1 443 . 1 . 1 108 108 ILE CB C 13 37.273 0.053 . 1 . . . . . 108 ILE CB . 50300 1 444 . 1 . 1 108 108 ILE N N 15 118.431 0.045 . 1 . . . . . 108 ILE N . 50300 1 445 . 1 . 1 109 109 ILE H H 1 8.423 0.002 . 1 . . . . . 109 ILE H . 50300 1 446 . 1 . 1 109 109 ILE C C 13 176.846 0.000 . 1 . . . . . 109 ILE C . 50300 1 447 . 1 . 1 109 109 ILE CA C 13 66.593 0.024 . 1 . . . . . 109 ILE CA . 50300 1 448 . 1 . 1 109 109 ILE CB C 13 37.983 0.070 . 1 . . . . . 109 ILE CB . 50300 1 449 . 1 . 1 109 109 ILE N N 15 120.566 0.027 . 1 . . . . . 109 ILE N . 50300 1 450 . 1 . 1 110 110 SER H H 1 7.853 0.004 . 1 . . . . . 110 SER H . 50300 1 451 . 1 . 1 110 110 SER C C 13 177.380 0.000 . 1 . . . . . 110 SER C . 50300 1 452 . 1 . 1 110 110 SER CA C 13 61.604 0.027 . 1 . . . . . 110 SER CA . 50300 1 453 . 1 . 1 110 110 SER CB C 13 62.674 0.116 . 1 . . . . . 110 SER CB . 50300 1 454 . 1 . 1 110 110 SER N N 15 113.519 0.006 . 1 . . . . . 110 SER N . 50300 1 455 . 1 . 1 111 111 LEU H H 1 7.405 0.005 . 1 . . . . . 111 LEU H . 50300 1 456 . 1 . 1 111 111 LEU C C 13 179.336 0.000 . 1 . . . . . 111 LEU C . 50300 1 457 . 1 . 1 111 111 LEU CA C 13 57.669 0.013 . 1 . . . . . 111 LEU CA . 50300 1 458 . 1 . 1 111 111 LEU CB C 13 42.825 0.099 . 1 . . . . . 111 LEU CB . 50300 1 459 . 1 . 1 111 111 LEU N N 15 120.789 0.017 . 1 . . . . . 111 LEU N . 50300 1 460 . 1 . 1 112 112 LEU H H 1 8.629 0.007 . 1 . . . . . 112 LEU H . 50300 1 461 . 1 . 1 112 112 LEU C C 13 180.077 0.000 . 1 . . . . . 112 LEU C . 50300 1 462 . 1 . 1 112 112 LEU CA C 13 58.720 0.113 . 1 . . . . . 112 LEU CA . 50300 1 463 . 1 . 1 112 112 LEU CB C 13 40.757 0.030 . 1 . . . . . 112 LEU CB . 50300 1 464 . 1 . 1 112 112 LEU N N 15 121.933 0.041 . 1 . . . . . 112 LEU N . 50300 1 465 . 1 . 1 113 113 GLU H H 1 8.596 0.005 . 1 . . . . . 113 GLU H . 50300 1 466 . 1 . 1 113 113 GLU C C 13 179.528 0.000 . 1 . . . . . 113 GLU C . 50300 1 467 . 1 . 1 113 113 GLU CA C 13 60.329 0.009 . 1 . . . . . 113 GLU CA . 50300 1 468 . 1 . 1 113 113 GLU CB C 13 29.255 0.032 . 1 . . . . . 113 GLU CB . 50300 1 469 . 1 . 1 113 113 GLU N N 15 118.047 0.016 . 1 . . . . . 113 GLU N . 50300 1 470 . 1 . 1 114 114 LYS H H 1 7.313 0.003 . 1 . . . . . 114 LYS H . 50300 1 471 . 1 . 1 114 114 LYS C C 13 180.002 0.000 . 1 . . . . . 114 LYS C . 50300 1 472 . 1 . 1 114 114 LYS CA C 13 59.835 0.048 . 1 . . . . . 114 LYS CA . 50300 1 473 . 1 . 1 114 114 LYS CB C 13 31.960 0.070 . 1 . . . . . 114 LYS CB . 50300 1 474 . 1 . 1 114 114 LYS N N 15 117.609 0.021 . 1 . . . . . 114 LYS N . 50300 1 475 . 1 . 1 115 115 CYS H H 1 7.718 0.003 . 1 . . . . . 115 CYS H . 50300 1 476 . 1 . 1 115 115 CYS C C 13 177.687 0.000 . 1 . . . . . 115 CYS C . 50300 1 477 . 1 . 1 115 115 CYS CA C 13 63.301 0.042 . 1 . . . . . 115 CYS CA . 50300 1 478 . 1 . 1 115 115 CYS CB C 13 26.580 0.031 . 1 . . . . . 115 CYS CB . 50300 1 479 . 1 . 1 115 115 CYS N N 15 118.433 0.018 . 1 . . . . . 115 CYS N . 50300 1 480 . 1 . 1 116 116 ILE H H 1 8.113 0.003 . 1 . . . . . 116 ILE H . 50300 1 481 . 1 . 1 116 116 ILE C C 13 177.263 0.000 . 1 . . . . . 116 ILE C . 50300 1 482 . 1 . 1 116 116 ILE CA C 13 65.985 0.025 . 1 . . . . . 116 ILE CA . 50300 1 483 . 1 . 1 116 116 ILE CB C 13 38.767 0.002 . 1 . . . . . 116 ILE CB . 50300 1 484 . 1 . 1 116 116 ILE N N 15 120.851 0.025 . 1 . . . . . 116 ILE N . 50300 1 485 . 1 . 1 117 117 LEU H H 1 7.489 0.002 . 1 . . . . . 117 LEU H . 50300 1 486 . 1 . 1 117 117 LEU C C 13 177.506 0.000 . 1 . . . . . 117 LEU C . 50300 1 487 . 1 . 1 117 117 LEU CA C 13 55.518 0.032 . 1 . . . . . 117 LEU CA . 50300 1 488 . 1 . 1 117 117 LEU CB C 13 43.186 0.034 . 1 . . . . . 117 LEU CB . 50300 1 489 . 1 . 1 117 117 LEU N N 15 116.590 0.027 . 1 . . . . . 117 LEU N . 50300 1 490 . 1 . 1 118 118 ALA H H 1 7.159 0.002 . 1 . . . . . 118 ALA H . 50300 1 491 . 1 . 1 118 118 ALA C C 13 177.389 0.000 . 1 . . . . . 118 ALA C . 50300 1 492 . 1 . 1 118 118 ALA CA C 13 54.109 0.072 . 1 . . . . . 118 ALA CA . 50300 1 493 . 1 . 1 118 118 ALA CB C 13 20.609 0.006 . 1 . . . . . 118 ALA CB . 50300 1 494 . 1 . 1 118 118 ALA N N 15 122.474 0.014 . 1 . . . . . 118 ALA N . 50300 1 495 . 1 . 1 119 119 GLN H H 1 8.725 0.004 . 1 . . . . . 119 GLN H . 50300 1 496 . 1 . 1 119 119 GLN CA C 13 52.686 0.000 . 1 . . . . . 119 GLN CA . 50300 1 497 . 1 . 1 119 119 GLN N N 15 122.656 0.065 . 1 . . . . . 119 GLN N . 50300 1 498 . 1 . 1 120 120 PRO C C 13 177.805 0.000 . 1 . . . . . 120 PRO C . 50300 1 499 . 1 . 1 120 120 PRO CA C 13 62.697 0.008 . 1 . . . . . 120 PRO CA . 50300 1 500 . 1 . 1 120 120 PRO CB C 13 31.973 0.044 . 1 . . . . . 120 PRO CB . 50300 1 501 . 1 . 1 121 121 GLY H H 1 8.231 0.003 . 1 . . . . . 121 GLY H . 50300 1 502 . 1 . 1 121 121 GLY C C 13 174.657 0.000 . 1 . . . . . 121 GLY C . 50300 1 503 . 1 . 1 121 121 GLY CA C 13 44.977 0.037 . 1 . . . . . 121 GLY CA . 50300 1 504 . 1 . 1 121 121 GLY N N 15 110.745 0.012 . 1 . . . . . 121 GLY N . 50300 1 505 . 1 . 1 122 122 ASP H H 1 7.706 0.002 . 1 . . . . . 122 ASP H . 50300 1 506 . 1 . 1 122 122 ASP C C 13 175.950 0.000 . 1 . . . . . 122 ASP C . 50300 1 507 . 1 . 1 122 122 ASP CA C 13 55.243 0.072 . 1 . . . . . 122 ASP CA . 50300 1 508 . 1 . 1 122 122 ASP CB C 13 41.542 0.038 . 1 . . . . . 122 ASP CB . 50300 1 509 . 1 . 1 122 122 ASP N N 15 122.048 0.017 . 1 . . . . . 122 ASP N . 50300 1 510 . 1 . 1 123 123 SER H H 1 8.323 0.002 . 1 . . . . . 123 SER H . 50300 1 511 . 1 . 1 123 123 SER CB C 13 64.676 0.000 . 1 . . . . . 123 SER CB . 50300 1 512 . 1 . 1 123 123 SER N N 15 114.775 0.013 . 1 . . . . . 123 SER N . 50300 1 513 . 1 . 1 124 124 PRO C C 13 175.382 0.000 . 1 . . . . . 124 PRO C . 50300 1 514 . 1 . 1 124 124 PRO CA C 13 63.358 0.029 . 1 . . . . . 124 PRO CA . 50300 1 515 . 1 . 1 124 124 PRO CB C 13 35.709 0.035 . 1 . . . . . 124 PRO CB . 50300 1 516 . 1 . 1 125 125 ARG H H 1 8.440 0.004 . 1 . . . . . 125 ARG H . 50300 1 517 . 1 . 1 125 125 ARG C C 13 173.839 0.000 . 1 . . . . . 125 ARG C . 50300 1 518 . 1 . 1 125 125 ARG CA C 13 54.595 0.018 . 1 . . . . . 125 ARG CA . 50300 1 519 . 1 . 1 125 125 ARG CB C 13 33.086 0.027 . 1 . . . . . 125 ARG CB . 50300 1 520 . 1 . 1 125 125 ARG N N 15 117.955 0.016 . 1 . . . . . 125 ARG N . 50300 1 521 . 1 . 1 126 126 PHE H H 1 8.076 0.003 . 1 . . . . . 126 PHE H . 50300 1 522 . 1 . 1 126 126 PHE C C 13 174.902 0.000 . 1 . . . . . 126 PHE C . 50300 1 523 . 1 . 1 126 126 PHE CA C 13 57.426 0.015 . 1 . . . . . 126 PHE CA . 50300 1 524 . 1 . 1 126 126 PHE CB C 13 41.810 0.010 . 1 . . . . . 126 PHE CB . 50300 1 525 . 1 . 1 126 126 PHE N N 15 123.272 0.029 . 1 . . . . . 126 PHE N . 50300 1 526 . 1 . 1 127 127 GLN H H 1 9.046 0.003 . 1 . . . . . 127 GLN H . 50300 1 527 . 1 . 1 127 127 GLN C C 13 172.041 0.000 . 1 . . . . . 127 GLN C . 50300 1 528 . 1 . 1 127 127 GLN CA C 13 54.678 0.034 . 1 . . . . . 127 GLN CA . 50300 1 529 . 1 . 1 127 127 GLN CB C 13 33.622 0.012 . 1 . . . . . 127 GLN CB . 50300 1 530 . 1 . 1 127 127 GLN N N 15 120.183 0.036 . 1 . . . . . 127 GLN N . 50300 1 531 . 1 . 1 128 128 ALA H H 1 9.781 0.003 . 1 . . . . . 128 ALA H . 50300 1 532 . 1 . 1 128 128 ALA C C 13 176.359 0.000 . 1 . . . . . 128 ALA C . 50300 1 533 . 1 . 1 128 128 ALA CA C 13 50.401 0.025 . 1 . . . . . 128 ALA CA . 50300 1 534 . 1 . 1 128 128 ALA CB C 13 20.146 0.008 . 1 . . . . . 128 ALA CB . 50300 1 535 . 1 . 1 128 128 ALA N N 15 129.090 0.015 . 1 . . . . . 128 ALA N . 50300 1 536 . 1 . 1 129 129 VAL H H 1 9.050 0.003 . 1 . . . . . 129 VAL H . 50300 1 537 . 1 . 1 129 129 VAL C C 13 173.657 0.000 . 1 . . . . . 129 VAL C . 50300 1 538 . 1 . 1 129 129 VAL CA C 13 60.659 0.054 . 1 . . . . . 129 VAL CA . 50300 1 539 . 1 . 1 129 129 VAL CB C 13 35.666 0.011 . 1 . . . . . 129 VAL CB . 50300 1 540 . 1 . 1 129 129 VAL N N 15 123.145 0.026 . 1 . . . . . 129 VAL N . 50300 1 541 . 1 . 1 130 130 LEU H H 1 9.085 0.004 . 1 . . . . . 130 LEU H . 50300 1 542 . 1 . 1 130 130 LEU C C 13 173.946 0.000 . 1 . . . . . 130 LEU C . 50300 1 543 . 1 . 1 130 130 LEU CA C 13 53.127 0.021 . 1 . . . . . 130 LEU CA . 50300 1 544 . 1 . 1 130 130 LEU CB C 13 47.609 0.046 . 1 . . . . . 130 LEU CB . 50300 1 545 . 1 . 1 130 130 LEU N N 15 129.264 0.016 . 1 . . . . . 130 LEU N . 50300 1 546 . 1 . 1 131 131 THR H H 1 9.179 0.005 . 1 . . . . . 131 THR H . 50300 1 547 . 1 . 1 131 131 THR C C 13 174.447 0.000 . 1 . . . . . 131 THR C . 50300 1 548 . 1 . 1 131 131 THR CA C 13 61.718 0.017 . 1 . . . . . 131 THR CA . 50300 1 549 . 1 . 1 131 131 THR CB C 13 69.433 0.028 . 1 . . . . . 131 THR CB . 50300 1 550 . 1 . 1 131 131 THR N N 15 123.887 0.018 . 1 . . . . . 131 THR N . 50300 1 551 . 1 . 1 132 132 ILE H H 1 8.970 0.004 . 1 . . . . . 132 ILE H . 50300 1 552 . 1 . 1 132 132 ILE C C 13 175.679 0.000 . 1 . . . . . 132 ILE C . 50300 1 553 . 1 . 1 132 132 ILE CA C 13 61.432 0.066 . 1 . . . . . 132 ILE CA . 50300 1 554 . 1 . 1 132 132 ILE CB C 13 39.059 0.208 . 1 . . . . . 132 ILE CB . 50300 1 555 . 1 . 1 132 132 ILE N N 15 128.976 0.012 . 1 . . . . . 132 ILE N . 50300 1 556 . 1 . 1 133 133 ARG H H 1 8.501 0.004 . 1 . . . . . 133 ARG H . 50300 1 557 . 1 . 1 133 133 ARG C C 13 175.882 0.000 . 1 . . . . . 133 ARG C . 50300 1 558 . 1 . 1 133 133 ARG CA C 13 55.177 0.008 . 1 . . . . . 133 ARG CA . 50300 1 559 . 1 . 1 133 133 ARG CB C 13 32.214 0.012 . 1 . . . . . 133 ARG CB . 50300 1 560 . 1 . 1 133 133 ARG N N 15 128.148 0.034 . 1 . . . . . 133 ARG N . 50300 1 561 . 1 . 1 134 134 GLY H H 1 8.812 0.007 . 1 . . . . . 134 GLY H . 50300 1 562 . 1 . 1 134 134 GLY C C 13 175.222 0.000 . 1 . . . . . 134 GLY C . 50300 1 563 . 1 . 1 134 134 GLY CA C 13 47.279 0.009 . 1 . . . . . 134 GLY CA . 50300 1 564 . 1 . 1 134 134 GLY N N 15 112.483 0.016 . 1 . . . . . 134 GLY N . 50300 1 565 . 1 . 1 135 135 GLY H H 1 8.773 0.015 . 1 . . . . . 135 GLY H . 50300 1 566 . 1 . 1 135 135 GLY C C 13 173.107 0.000 . 1 . . . . . 135 GLY C . 50300 1 567 . 1 . 1 135 135 GLY CA C 13 45.760 0.042 . 1 . . . . . 135 GLY CA . 50300 1 568 . 1 . 1 135 135 GLY N N 15 112.406 0.040 . 1 . . . . . 135 GLY N . 50300 1 569 . 1 . 1 136 136 GLU H H 1 7.681 0.002 . 1 . . . . . 136 GLU H . 50300 1 570 . 1 . 1 136 136 GLU CA C 13 55.581 0.000 . 1 . . . . . 136 GLU CA . 50300 1 571 . 1 . 1 136 136 GLU CB C 13 32.938 0.000 . 1 . . . . . 136 GLU CB . 50300 1 572 . 1 . 1 136 136 GLU N N 15 118.263 0.016 . 1 . . . . . 136 GLU N . 50300 1 573 . 1 . 1 137 137 SER C C 13 173.445 0.000 . 1 . . . . . 137 SER C . 50300 1 574 . 1 . 1 137 137 SER CB C 13 65.188 0.000 . 1 . . . . . 137 SER CB . 50300 1 575 . 1 . 1 138 138 VAL H H 1 8.924 0.004 . 1 . . . . . 138 VAL H . 50300 1 576 . 1 . 1 138 138 VAL C C 13 174.843 0.000 . 1 . . . . . 138 VAL C . 50300 1 577 . 1 . 1 138 138 VAL CA C 13 62.438 0.044 . 1 . . . . . 138 VAL CA . 50300 1 578 . 1 . 1 138 138 VAL CB C 13 34.218 0.000 . 1 . . . . . 138 VAL CB . 50300 1 579 . 1 . 1 138 138 VAL N N 15 122.884 0.015 . 1 . . . . . 138 VAL N . 50300 1 580 . 1 . 1 139 139 PHE H H 1 10.021 0.006 . 1 . . . . . 139 PHE H . 50300 1 581 . 1 . 1 139 139 PHE C C 13 173.001 0.000 . 1 . . . . . 139 PHE C . 50300 1 582 . 1 . 1 139 139 PHE CA C 13 55.663 0.035 . 1 . . . . . 139 PHE CA . 50300 1 583 . 1 . 1 139 139 PHE CB C 13 43.475 0.046 . 1 . . . . . 139 PHE CB . 50300 1 584 . 1 . 1 139 139 PHE N N 15 108.905 0.017 . 1 . . . . . 139 PHE N . 50300 1 585 . 1 . 1 140 140 LYS H H 1 8.954 0.003 . 1 . . . . . 140 LYS H . 50300 1 586 . 1 . 1 140 140 LYS C C 13 174.534 0.000 . 1 . . . . . 140 LYS C . 50300 1 587 . 1 . 1 140 140 LYS CA C 13 53.922 0.048 . 1 . . . . . 140 LYS CA . 50300 1 588 . 1 . 1 140 140 LYS CB C 13 37.720 0.035 . 1 . . . . . 140 LYS CB . 50300 1 589 . 1 . 1 140 140 LYS N N 15 124.924 0.012 . 1 . . . . . 140 LYS N . 50300 1 590 . 1 . 1 141 141 ILE H H 1 7.593 0.004 . 1 . . . . . 141 ILE H . 50300 1 591 . 1 . 1 141 141 ILE C C 13 175.396 0.000 . 1 . . . . . 141 ILE C . 50300 1 592 . 1 . 1 141 141 ILE CA C 13 60.792 0.021 . 1 . . . . . 141 ILE CA . 50300 1 593 . 1 . 1 141 141 ILE CB C 13 39.945 0.028 . 1 . . . . . 141 ILE CB . 50300 1 594 . 1 . 1 141 141 ILE N N 15 117.862 0.028 . 1 . . . . . 141 ILE N . 50300 1 595 . 1 . 1 142 142 VAL H H 1 9.304 0.004 . 1 . . . . . 142 VAL H . 50300 1 596 . 1 . 1 142 142 VAL C C 13 172.864 0.000 . 1 . . . . . 142 VAL C . 50300 1 597 . 1 . 1 142 142 VAL CA C 13 59.030 0.033 . 1 . . . . . 142 VAL CA . 50300 1 598 . 1 . 1 142 142 VAL CB C 13 35.167 0.033 . 1 . . . . . 142 VAL CB . 50300 1 599 . 1 . 1 142 142 VAL N N 15 123.860 0.010 . 1 . . . . . 142 VAL N . 50300 1 600 . 1 . 1 143 143 GLU H H 1 8.724 0.005 . 1 . . . . . 143 GLU H . 50300 1 601 . 1 . 1 143 143 GLU C C 13 175.110 0.000 . 1 . . . . . 143 GLU C . 50300 1 602 . 1 . 1 143 143 GLU CA C 13 53.832 0.028 . 1 . . . . . 143 GLU CA . 50300 1 603 . 1 . 1 143 143 GLU CB C 13 32.194 0.047 . 1 . . . . . 143 GLU CB . 50300 1 604 . 1 . 1 143 143 GLU N N 15 124.851 0.027 . 1 . . . . . 143 GLU N . 50300 1 605 . 1 . 1 144 144 ILE H H 1 9.168 0.003 . 1 . . . . . 144 ILE H . 50300 1 606 . 1 . 1 144 144 ILE C C 13 175.582 0.000 . 1 . . . . . 144 ILE C . 50300 1 607 . 1 . 1 144 144 ILE CA C 13 60.651 0.031 . 1 . . . . . 144 ILE CA . 50300 1 608 . 1 . 1 144 144 ILE CB C 13 39.269 0.062 . 1 . . . . . 144 ILE CB . 50300 1 609 . 1 . 1 144 144 ILE N N 15 128.103 0.015 . 1 . . . . . 144 ILE N . 50300 1 610 . 1 . 1 145 145 ASN H H 1 8.469 0.004 . 1 . . . . . 145 ASN H . 50300 1 611 . 1 . 1 145 145 ASN C C 13 174.472 0.000 . 1 . . . . . 145 ASN C . 50300 1 612 . 1 . 1 145 145 ASN CA C 13 52.198 0.047 . 1 . . . . . 145 ASN CA . 50300 1 613 . 1 . 1 145 145 ASN CB C 13 40.522 0.031 . 1 . . . . . 145 ASN CB . 50300 1 614 . 1 . 1 145 145 ASN N N 15 126.184 0.018 . 1 . . . . . 145 ASN N . 50300 1 615 . 1 . 1 146 146 ASP H H 1 8.890 0.004 . 1 . . . . . 146 ASP H . 50300 1 616 . 1 . 1 146 146 ASP C C 13 175.378 0.000 . 1 . . . . . 146 ASP C . 50300 1 617 . 1 . 1 146 146 ASP CA C 13 56.642 0.031 . 1 . . . . . 146 ASP CA . 50300 1 618 . 1 . 1 146 146 ASP CB C 13 39.601 0.013 . 1 . . . . . 146 ASP CB . 50300 1 619 . 1 . 1 146 146 ASP N N 15 123.103 0.044 . 1 . . . . . 146 ASP N . 50300 1 620 . 1 . 1 147 147 GLU H H 1 8.579 0.002 . 1 . . . . . 147 GLU H . 50300 1 621 . 1 . 1 147 147 GLU C C 13 175.897 0.000 . 1 . . . . . 147 GLU C . 50300 1 622 . 1 . 1 147 147 GLU CA C 13 57.416 0.030 . 1 . . . . . 147 GLU CA . 50300 1 623 . 1 . 1 147 147 GLU CB C 13 29.822 0.023 . 1 . . . . . 147 GLU CB . 50300 1 624 . 1 . 1 147 147 GLU N N 15 116.642 0.010 . 1 . . . . . 147 GLU N . 50300 1 625 . 1 . 1 148 148 LYS H H 1 8.093 0.004 . 1 . . . . . 148 LYS H . 50300 1 626 . 1 . 1 148 148 LYS C C 13 174.833 0.000 . 1 . . . . . 148 LYS C . 50300 1 627 . 1 . 1 148 148 LYS CA C 13 55.753 0.002 . 1 . . . . . 148 LYS CA . 50300 1 628 . 1 . 1 148 148 LYS CB C 13 34.231 0.019 . 1 . . . . . 148 LYS CB . 50300 1 629 . 1 . 1 148 148 LYS N N 15 120.882 0.028 . 1 . . . . . 148 LYS N . 50300 1 630 . 1 . 1 149 149 GLN H H 1 8.379 0.003 . 1 . . . . . 149 GLN H . 50300 1 631 . 1 . 1 149 149 GLN C C 13 175.014 0.000 . 1 . . . . . 149 GLN C . 50300 1 632 . 1 . 1 149 149 GLN CA C 13 54.713 0.015 . 1 . . . . . 149 GLN CA . 50300 1 633 . 1 . 1 149 149 GLN CB C 13 30.106 0.019 . 1 . . . . . 149 GLN CB . 50300 1 634 . 1 . 1 149 149 GLN N N 15 120.113 0.020 . 1 . . . . . 149 GLN N . 50300 1 635 . 1 . 1 150 150 LEU H H 1 9.011 0.004 . 1 . . . . . 150 LEU H . 50300 1 636 . 1 . 1 150 150 LEU CA C 13 51.902 0.000 . 1 . . . . . 150 LEU CA . 50300 1 637 . 1 . 1 150 150 LEU CB C 13 44.351 0.000 . 1 . . . . . 150 LEU CB . 50300 1 638 . 1 . 1 150 150 LEU N N 15 126.205 0.017 . 1 . . . . . 150 LEU N . 50300 1 639 . 1 . 1 151 151 PRO C C 13 176.800 0.000 . 1 . . . . . 151 PRO C . 50300 1 640 . 1 . 1 151 151 PRO CA C 13 62.503 0.031 . 1 . . . . . 151 PRO CA . 50300 1 641 . 1 . 1 151 151 PRO CB C 13 31.150 0.021 . 1 . . . . . 151 PRO CB . 50300 1 642 . 1 . 1 152 152 HIS H H 1 9.258 0.004 . 1 . . . . . 152 HIS H . 50300 1 643 . 1 . 1 152 152 HIS C C 13 175.697 0.000 . 1 . . . . . 152 HIS C . 50300 1 644 . 1 . 1 152 152 HIS CA C 13 59.313 0.015 . 1 . . . . . 152 HIS CA . 50300 1 645 . 1 . 1 152 152 HIS CB C 13 34.790 0.031 . 1 . . . . . 152 HIS CB . 50300 1 646 . 1 . 1 152 152 HIS N N 15 124.655 0.019 . 1 . . . . . 152 HIS N . 50300 1 647 . 1 . 1 153 153 ILE H H 1 7.304 0.003 . 1 . . . . . 153 ILE H . 50300 1 648 . 1 . 1 153 153 ILE C C 13 173.579 0.000 . 1 . . . . . 153 ILE C . 50300 1 649 . 1 . 1 153 153 ILE CA C 13 58.989 0.057 . 1 . . . . . 153 ILE CA . 50300 1 650 . 1 . 1 153 153 ILE CB C 13 41.660 0.050 . 1 . . . . . 153 ILE CB . 50300 1 651 . 1 . 1 153 153 ILE N N 15 114.170 0.030 . 1 . . . . . 153 ILE N . 50300 1 652 . 1 . 1 154 154 THR H H 1 8.555 0.003 . 1 . . . . . 154 THR H . 50300 1 653 . 1 . 1 154 154 THR C C 13 173.844 0.000 . 1 . . . . . 154 THR C . 50300 1 654 . 1 . 1 154 154 THR CA C 13 62.484 0.028 . 1 . . . . . 154 THR CA . 50300 1 655 . 1 . 1 154 154 THR CB C 13 71.559 0.021 . 1 . . . . . 154 THR CB . 50300 1 656 . 1 . 1 154 154 THR N N 15 121.997 0.032 . 1 . . . . . 154 THR N . 50300 1 657 . 1 . 1 155 155 LEU H H 1 9.928 0.003 . 1 . . . . . 155 LEU H . 50300 1 658 . 1 . 1 155 155 LEU C C 13 174.331 0.000 . 1 . . . . . 155 LEU C . 50300 1 659 . 1 . 1 155 155 LEU CA C 13 53.602 0.105 . 1 . . . . . 155 LEU CA . 50300 1 660 . 1 . 1 155 155 LEU CB C 13 48.231 0.042 . 1 . . . . . 155 LEU CB . 50300 1 661 . 1 . 1 155 155 LEU N N 15 126.893 0.019 . 1 . . . . . 155 LEU N . 50300 1 662 . 1 . 1 156 156 ALA H H 1 8.998 0.004 . 1 . . . . . 156 ALA H . 50300 1 663 . 1 . 1 156 156 ALA CA C 13 51.630 0.000 . 1 . . . . . 156 ALA CA . 50300 1 664 . 1 . 1 156 156 ALA CB C 13 19.459 0.000 . 1 . . . . . 156 ALA CB . 50300 1 665 . 1 . 1 156 156 ALA N N 15 126.970 0.046 . 1 . . . . . 156 ALA N . 50300 1 666 . 1 . 1 159 159 PRO C C 13 177.729 0.000 . 1 . . . . . 159 PRO C . 50300 1 667 . 1 . 1 159 159 PRO CA C 13 64.727 0.000 . 1 . . . . . 159 PRO CA . 50300 1 668 . 1 . 1 159 159 PRO CB C 13 31.794 0.029 . 1 . . . . . 159 PRO CB . 50300 1 669 . 1 . 1 160 160 GLY H H 1 8.441 0.007 . 1 . . . . . 160 GLY H . 50300 1 670 . 1 . 1 160 160 GLY C C 13 172.470 0.000 . 1 . . . . . 160 GLY C . 50300 1 671 . 1 . 1 160 160 GLY CA C 13 44.962 0.047 . 1 . . . . . 160 GLY CA . 50300 1 672 . 1 . 1 160 160 GLY N N 15 107.803 0.020 . 1 . . . . . 160 GLY N . 50300 1 673 . 1 . 1 161 161 ASN H H 1 7.886 0.003 . 1 . . . . . 161 ASN H . 50300 1 674 . 1 . 1 161 161 ASN CA C 13 54.589 0.000 . 1 . . . . . 161 ASN CA . 50300 1 675 . 1 . 1 161 161 ASN CB C 13 40.671 0.000 . 1 . . . . . 161 ASN CB . 50300 1 676 . 1 . 1 161 161 ASN N N 15 123.007 0.010 . 1 . . . . . 161 ASN N . 50300 1 stop_ save_