data_51638 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51638 _Entry.Title ; Backbone assignment of cJun TAD 1-151 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-09-22 _Entry.Accession_date 2022-09-22 _Entry.Last_release_date 2022-09-22 _Entry.Original_release_date 2022-09-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 Christopher Waudby . A. . 0000-0001-7810-3753 51638 2 Saul Alvarez-Teijeiro . . . . 51638 3 E. Ruiz . J. . . 51638 4 Simon Suppinger . . . . 51638 5 Nikos Pinotsis . . . . 51638 6 Paul Brown . R. . . 51638 7 Axel Behrens . . . . 51638 8 John Christodoulou . . . . 51638 9 Anastasia Mylona . . . . 51638 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Structural and Molecular Biology, University College London' . 51638 2 . 'Institute of Structural and Molecular Biology, Birkbeck College, London' . 51638 3 . 'UCL School of Pharmacy, London' . 51638 4 . 'Cancer Stem Cell Laboratory, Institute of Cancer Research, London' . 51638 5 . "Randall Division of Cell and Molecular Biophysics, King's College London" . 51638 6 . 'Department of Surgery and Cancer, Division of Cancer, Imperial College, London' . 51638 7 . 'Convergence Science Centre, Imperial College, London' . 51638 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51638 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 51638 '15N chemical shifts' 135 51638 '1H chemical shifts' 135 51638 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 . . 2022-12-02 2022-09-22 update BMRB 'update entry citation' 51638 1 . . 2022-09-26 2022-09-22 original author 'original release' 51638 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51638 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36253406 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; An intrinsic temporal order of c-JUN N-terminal phosphorylation regulates its activity by orchestrating co-factor recruitment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 6133 _Citation.Page_last 6133 _Citation.Year 2022 _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 Christopher Waudby . A. . . 51638 1 2 Saul Alvarez-Teijeiro . . . . 51638 1 3 E. Ruiz . J. . . 51638 1 4 Simon Suppinger . . . . 51638 1 5 Nikos Pinotsis . . . . 51638 1 6 Paul Brown . R. . . 51638 1 7 Axel Behrens . . . . 51638 1 8 John Christodoulou . . . . 51638 1 9 Anastasia Mylona . . . . 51638 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51638 _Assembly.ID 1 _Assembly.Name cJun _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 . _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 cJun 1 $entity_1 . . yes 'intrinsically disordered' no no . . . 51638 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51638 _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 ; GPGSTAKMETTFYDDALNAS FLPSESGPYGYSNPKILKQS MTLNLADPVGSLKPHLRAKN SDLLTSPDVGLLKLASPELE RLIIQSSNGHITTTPTPTQF LCPKNVTDEQEGFAEGFVRA LAELHSQNTLPSVTSAAQPV NGAGMVAPAVASVA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 represent a TEV cleavage site' _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 154 _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 . _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 P05412 . JUN_HUMAN . . . . . . . . . . . . . . 51638 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 2 GLY . 51638 1 2 3 PRO . 51638 1 3 4 GLY . 51638 1 4 5 SER . 51638 1 5 6 THR . 51638 1 6 7 ALA . 51638 1 7 8 LYS . 51638 1 8 9 MET . 51638 1 9 10 GLU . 51638 1 10 11 THR . 51638 1 11 12 THR . 51638 1 12 13 PHE . 51638 1 13 14 TYR . 51638 1 14 15 ASP . 51638 1 15 16 ASP . 51638 1 16 17 ALA . 51638 1 17 18 LEU . 51638 1 18 19 ASN . 51638 1 19 20 ALA . 51638 1 20 21 SER . 51638 1 21 22 PHE . 51638 1 22 23 LEU . 51638 1 23 24 PRO . 51638 1 24 25 SER . 51638 1 25 26 GLU . 51638 1 26 27 SER . 51638 1 27 28 GLY . 51638 1 28 29 PRO . 51638 1 29 30 TYR . 51638 1 30 31 GLY . 51638 1 31 32 TYR . 51638 1 32 33 SER . 51638 1 33 34 ASN . 51638 1 34 35 PRO . 51638 1 35 36 LYS . 51638 1 36 37 ILE . 51638 1 37 38 LEU . 51638 1 38 39 LYS . 51638 1 39 40 GLN . 51638 1 40 41 SER . 51638 1 41 42 MET . 51638 1 42 43 THR . 51638 1 43 44 LEU . 51638 1 44 45 ASN . 51638 1 45 46 LEU . 51638 1 46 47 ALA . 51638 1 47 48 ASP . 51638 1 48 49 PRO . 51638 1 49 50 VAL . 51638 1 50 51 GLY . 51638 1 51 52 SER . 51638 1 52 53 LEU . 51638 1 53 54 LYS . 51638 1 54 55 PRO . 51638 1 55 56 HIS . 51638 1 56 57 LEU . 51638 1 57 58 ARG . 51638 1 58 59 ALA . 51638 1 59 60 LYS . 51638 1 60 61 ASN . 51638 1 61 62 SER . 51638 1 62 63 ASP . 51638 1 63 64 LEU . 51638 1 64 65 LEU . 51638 1 65 66 THR . 51638 1 66 67 SER . 51638 1 67 68 PRO . 51638 1 68 69 ASP . 51638 1 69 70 VAL . 51638 1 70 71 GLY . 51638 1 71 72 LEU . 51638 1 72 73 LEU . 51638 1 73 74 LYS . 51638 1 74 75 LEU . 51638 1 75 76 ALA . 51638 1 76 77 SER . 51638 1 77 78 PRO . 51638 1 78 79 GLU . 51638 1 79 80 LEU . 51638 1 80 81 GLU . 51638 1 81 82 ARG . 51638 1 82 83 LEU . 51638 1 83 84 ILE . 51638 1 84 85 ILE . 51638 1 85 86 GLN . 51638 1 86 87 SER . 51638 1 87 88 SER . 51638 1 88 89 ASN . 51638 1 89 90 GLY . 51638 1 90 91 HIS . 51638 1 91 92 ILE . 51638 1 92 93 THR . 51638 1 93 94 THR . 51638 1 94 95 THR . 51638 1 95 96 PRO . 51638 1 96 97 THR . 51638 1 97 98 PRO . 51638 1 98 99 THR . 51638 1 99 100 GLN . 51638 1 100 101 PHE . 51638 1 101 102 LEU . 51638 1 102 103 CYS . 51638 1 103 104 PRO . 51638 1 104 105 LYS . 51638 1 105 106 ASN . 51638 1 106 107 VAL . 51638 1 107 108 THR . 51638 1 108 109 ASP . 51638 1 109 110 GLU . 51638 1 110 111 GLN . 51638 1 111 112 GLU . 51638 1 112 113 GLY . 51638 1 113 114 PHE . 51638 1 114 115 ALA . 51638 1 115 116 GLU . 51638 1 116 117 GLY . 51638 1 117 118 PHE . 51638 1 118 119 VAL . 51638 1 119 120 ARG . 51638 1 120 121 ALA . 51638 1 121 122 LEU . 51638 1 122 123 ALA . 51638 1 123 124 GLU . 51638 1 124 125 LEU . 51638 1 125 126 HIS . 51638 1 126 127 SER . 51638 1 127 128 GLN . 51638 1 128 129 ASN . 51638 1 129 130 THR . 51638 1 130 131 LEU . 51638 1 131 132 PRO . 51638 1 132 133 SER . 51638 1 133 134 VAL . 51638 1 134 135 THR . 51638 1 135 136 SER . 51638 1 136 137 ALA . 51638 1 137 138 ALA . 51638 1 138 139 GLN . 51638 1 139 140 PRO . 51638 1 140 141 VAL . 51638 1 141 142 ASN . 51638 1 142 143 GLY . 51638 1 143 144 ALA . 51638 1 144 145 GLY . 51638 1 145 146 MET . 51638 1 146 147 VAL . 51638 1 147 148 ALA . 51638 1 148 149 PRO . 51638 1 149 150 ALA . 51638 1 150 151 VAL . 51638 1 151 152 ALA . 51638 1 152 153 SER . 51638 1 153 154 VAL . 51638 1 154 155 ALA . 51638 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 51638 1 . PRO 2 2 51638 1 . GLY 3 3 51638 1 . SER 4 4 51638 1 . THR 5 5 51638 1 . ALA 6 6 51638 1 . LYS 7 7 51638 1 . MET 8 8 51638 1 . GLU 9 9 51638 1 . THR 10 10 51638 1 . THR 11 11 51638 1 . PHE 12 12 51638 1 . TYR 13 13 51638 1 . ASP 14 14 51638 1 . ASP 15 15 51638 1 . ALA 16 16 51638 1 . LEU 17 17 51638 1 . ASN 18 18 51638 1 . ALA 19 19 51638 1 . SER 20 20 51638 1 . PHE 21 21 51638 1 . LEU 22 22 51638 1 . PRO 23 23 51638 1 . SER 24 24 51638 1 . GLU 25 25 51638 1 . SER 26 26 51638 1 . GLY 27 27 51638 1 . PRO 28 28 51638 1 . TYR 29 29 51638 1 . GLY 30 30 51638 1 . TYR 31 31 51638 1 . SER 32 32 51638 1 . ASN 33 33 51638 1 . PRO 34 34 51638 1 . LYS 35 35 51638 1 . ILE 36 36 51638 1 . LEU 37 37 51638 1 . LYS 38 38 51638 1 . GLN 39 39 51638 1 . SER 40 40 51638 1 . MET 41 41 51638 1 . THR 42 42 51638 1 . LEU 43 43 51638 1 . ASN 44 44 51638 1 . LEU 45 45 51638 1 . ALA 46 46 51638 1 . ASP 47 47 51638 1 . PRO 48 48 51638 1 . VAL 49 49 51638 1 . GLY 50 50 51638 1 . SER 51 51 51638 1 . LEU 52 52 51638 1 . LYS 53 53 51638 1 . PRO 54 54 51638 1 . HIS 55 55 51638 1 . LEU 56 56 51638 1 . ARG 57 57 51638 1 . ALA 58 58 51638 1 . LYS 59 59 51638 1 . ASN 60 60 51638 1 . SER 61 61 51638 1 . ASP 62 62 51638 1 . LEU 63 63 51638 1 . LEU 64 64 51638 1 . THR 65 65 51638 1 . SER 66 66 51638 1 . PRO 67 67 51638 1 . ASP 68 68 51638 1 . VAL 69 69 51638 1 . GLY 70 70 51638 1 . LEU 71 71 51638 1 . LEU 72 72 51638 1 . LYS 73 73 51638 1 . LEU 74 74 51638 1 . ALA 75 75 51638 1 . SER 76 76 51638 1 . PRO 77 77 51638 1 . GLU 78 78 51638 1 . LEU 79 79 51638 1 . GLU 80 80 51638 1 . ARG 81 81 51638 1 . LEU 82 82 51638 1 . ILE 83 83 51638 1 . ILE 84 84 51638 1 . GLN 85 85 51638 1 . SER 86 86 51638 1 . SER 87 87 51638 1 . ASN 88 88 51638 1 . GLY 89 89 51638 1 . HIS 90 90 51638 1 . ILE 91 91 51638 1 . THR 92 92 51638 1 . THR 93 93 51638 1 . THR 94 94 51638 1 . PRO 95 95 51638 1 . THR 96 96 51638 1 . PRO 97 97 51638 1 . THR 98 98 51638 1 . GLN 99 99 51638 1 . PHE 100 100 51638 1 . LEU 101 101 51638 1 . CYS 102 102 51638 1 . PRO 103 103 51638 1 . LYS 104 104 51638 1 . ASN 105 105 51638 1 . VAL 106 106 51638 1 . THR 107 107 51638 1 . ASP 108 108 51638 1 . GLU 109 109 51638 1 . GLN 110 110 51638 1 . GLU 111 111 51638 1 . GLY 112 112 51638 1 . PHE 113 113 51638 1 . ALA 114 114 51638 1 . GLU 115 115 51638 1 . GLY 116 116 51638 1 . PHE 117 117 51638 1 . VAL 118 118 51638 1 . ARG 119 119 51638 1 . ALA 120 120 51638 1 . LEU 121 121 51638 1 . ALA 122 122 51638 1 . GLU 123 123 51638 1 . LEU 124 124 51638 1 . HIS 125 125 51638 1 . SER 126 126 51638 1 . GLN 127 127 51638 1 . ASN 128 128 51638 1 . THR 129 129 51638 1 . LEU 130 130 51638 1 . PRO 131 131 51638 1 . SER 132 132 51638 1 . VAL 133 133 51638 1 . THR 134 134 51638 1 . SER 135 135 51638 1 . ALA 136 136 51638 1 . ALA 137 137 51638 1 . GLN 138 138 51638 1 . PRO 139 139 51638 1 . VAL 140 140 51638 1 . ASN 141 141 51638 1 . GLY 142 142 51638 1 . ALA 143 143 51638 1 . GLY 144 144 51638 1 . MET 145 145 51638 1 . VAL 146 146 51638 1 . ALA 147 147 51638 1 . PRO 148 148 51638 1 . ALA 149 149 51638 1 . VAL 150 150 51638 1 . ALA 151 151 51638 1 . SER 152 152 51638 1 . VAL 153 153 51638 1 . ALA 154 154 51638 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 51638 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51638 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 51638 _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 . . . plasmid . . pET-41a . . . 51638 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51638 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'cJun TAD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51638 1 2 K2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 51638 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51638 1 4 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51638 1 5 DSS 'natural abundance' . . . . . . 0.01 . . w/v . . . . 51638 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 51638 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 51638 1 pressure 1 . atm 51638 1 temperature 283 . K 51638 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51638 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51638 1 'peak picking' . 51638 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51638 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5pl6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51638 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51638 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51638 3 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 51638 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 51638 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51638 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51638 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51638 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51638 1 5 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51638 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 51638 _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 . . . . . 51638 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51638 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51638 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 51638 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shiftlist1 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51638 1 2 '3D HNCO' . . . 51638 1 3 '3D HN(CA)CO' . . . 51638 1 4 '3D HNCACB' . . . 51638 1 5 '3D HN(CO)CACB' . . . 51638 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 . . 51638 1 2 $software_2 . . 51638 1 3 $software_3 . . 51638 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 6 6 ALA C C 13 177.527 . . 1 . . 695 . . 7 ALA C . 51638 1 2 . 1 . 1 6 6 ALA CA C 13 52.565 0.008 . 1 . . 483 . . 7 ALA CA . 51638 1 3 . 1 . 1 6 6 ALA CB C 13 19.218 . . 1 . . 484 . . 7 ALA CB . 51638 1 4 . 1 . 1 7 7 LYS H H 1 8.373 0.001 . 1 . . 149 . . 8 LYS H . 51638 1 5 . 1 . 1 7 7 LYS C C 13 176.510 0.001 . 1 . . 362 . . 8 LYS C . 51638 1 6 . 1 . 1 7 7 LYS CA C 13 56.250 0.019 . 1 . . 621 . . 8 LYS CA . 51638 1 7 . 1 . 1 7 7 LYS CB C 13 32.989 0.001 . 1 . . 620 . . 8 LYS CB . 51638 1 8 . 1 . 1 7 7 LYS N N 15 121.163 0.034 . 1 . . 150 . . 8 LYS N . 51638 1 9 . 1 . 1 8 8 MET H H 1 8.487 0.002 . 1 . . 189 . . 9 MET H . 51638 1 10 . 1 . 1 8 8 MET C C 13 176.176 0.008 . 1 . . 316 . . 9 MET C . 51638 1 11 . 1 . 1 8 8 MET CA C 13 55.401 0.008 . 1 . . 622 . . 9 MET CA . 51638 1 12 . 1 . 1 8 8 MET CB C 13 32.900 0.015 . 1 . . 623 . . 9 MET CB . 51638 1 13 . 1 . 1 8 8 MET N N 15 122.530 0.01 . 1 . . 190 . . 9 MET N . 51638 1 14 . 1 . 1 9 9 GLU H H 1 8.592 0.0 . 1 . . 99 . . 10 GLU H . 51638 1 15 . 1 . 1 9 9 GLU C C 13 176.546 0.002 . 1 . . 270 . . 10 GLU C . 51638 1 16 . 1 . 1 9 9 GLU CA C 13 56.556 0.011 . 1 . . 462 . . 10 GLU CA . 51638 1 17 . 1 . 1 9 9 GLU CB C 13 30.331 0.005 . 1 . . 463 . . 10 GLU CB . 51638 1 18 . 1 . 1 9 9 GLU N N 15 122.740 0.006 . 1 . . 100 . . 10 GLU N . 51638 1 19 . 1 . 1 10 10 THR H H 1 8.317 0.001 . 1 . . 3 . . 11 THR H . 51638 1 20 . 1 . 1 10 10 THR C C 13 174.418 0.003 . 1 . . 364 . . 11 THR C . 51638 1 21 . 1 . 1 10 10 THR CA C 13 61.900 0.005 . 1 . . 567 . . 11 THR CA . 51638 1 22 . 1 . 1 10 10 THR CB C 13 69.775 0.004 . 1 . . 566 . . 11 THR CB . 51638 1 23 . 1 . 1 10 10 THR N N 15 115.594 0.006 . 1 . . 4 . . 11 THR N . 51638 1 24 . 1 . 1 11 11 THR H H 1 8.157 0.001 . 1 . . 191 . . 12 THR H . 51638 1 25 . 1 . 1 11 11 THR C C 13 173.789 0.003 . 1 . . 269 . . 12 THR C . 51638 1 26 . 1 . 1 11 11 THR CA C 13 61.872 0.006 . 1 . . 526 . . 12 THR CA . 51638 1 27 . 1 . 1 11 11 THR CB C 13 69.922 0.016 . 1 . . 525 . . 12 THR CB . 51638 1 28 . 1 . 1 11 11 THR N N 15 116.900 0.009 . 1 . . 192 . . 12 THR N . 51638 1 29 . 1 . 1 12 12 PHE H H 1 8.295 0.0 . 1 . . 1 . . 13 PHE H . 51638 1 30 . 1 . 1 12 12 PHE C C 13 175.113 0.005 . 1 . . 323 . . 13 PHE C . 51638 1 31 . 1 . 1 12 12 PHE CA C 13 57.868 0.005 . 1 . . 403 . . 13 PHE CA . 51638 1 32 . 1 . 1 12 12 PHE CB C 13 39.818 0.007 . 1 . . 404 . . 13 PHE CB . 51638 1 33 . 1 . 1 12 12 PHE N N 15 122.979 0.021 . 1 . . 2 . . 13 PHE N . 51638 1 34 . 1 . 1 13 13 TYR H H 1 8.157 0.001 . 1 . . 115 . . 14 TYR H . 51638 1 35 . 1 . 1 13 13 TYR C C 13 174.990 0.006 . 1 . . 474 . . 14 TYR C . 51638 1 36 . 1 . 1 13 13 TYR CA C 13 57.912 0.005 . 1 . . 569 . . 14 TYR CA . 51638 1 37 . 1 . 1 13 13 TYR CB C 13 39.082 0.001 . 1 . . 568 . . 14 TYR CB . 51638 1 38 . 1 . 1 13 13 TYR N N 15 122.315 0.022 . 1 . . 116 . . 14 TYR N . 51638 1 39 . 1 . 1 14 14 ASP H H 1 8.150 0.004 . 1 . . 139 . . 15 ASP H . 51638 1 40 . 1 . 1 14 14 ASP C C 13 176.001 0.007 . 1 . . 329 . . 15 ASP C . 51638 1 41 . 1 . 1 14 14 ASP CA C 13 54.186 0.002 . 1 . . 493 . . 15 ASP CA . 51638 1 42 . 1 . 1 14 14 ASP CB C 13 41.305 0.006 . 1 . . 494 . . 15 ASP CB . 51638 1 43 . 1 . 1 14 14 ASP N N 15 122.676 0.038 . 1 . . 140 . . 15 ASP N . 51638 1 44 . 1 . 1 15 15 ASP H H 1 8.284 0.001 . 1 . . 129 . . 16 ASP H . 51638 1 45 . 1 . 1 15 15 ASP C C 13 176.726 0.004 . 1 . . 345 . . 16 ASP C . 51638 1 46 . 1 . 1 15 15 ASP CA C 13 54.916 0.029 . 1 . . 486 . . 16 ASP CA . 51638 1 47 . 1 . 1 15 15 ASP CB C 13 41.013 0.041 . 1 . . 485 . . 16 ASP CB . 51638 1 48 . 1 . 1 15 15 ASP N N 15 122.133 0.008 . 1 . . 130 . . 16 ASP N . 51638 1 49 . 1 . 1 16 16 ALA H H 1 8.244 0.001 . 1 . . 163 . . 17 ALA H . 51638 1 50 . 1 . 1 16 16 ALA C C 13 178.587 0.008 . 1 . . 315 . . 17 ALA C . 51638 1 51 . 1 . 1 16 16 ALA CA C 13 53.408 0.009 . 1 . . 509 . . 17 ALA CA . 51638 1 52 . 1 . 1 16 16 ALA CB C 13 18.796 0.011 . 1 . . 508 . . 17 ALA CB . 51638 1 53 . 1 . 1 16 16 ALA N N 15 123.446 0.012 . 1 . . 164 . . 17 ALA N . 51638 1 54 . 1 . 1 17 17 LEU H H 1 8.032 0.0 . 1 . . 97 . . 18 LEU H . 51638 1 55 . 1 . 1 17 17 LEU C C 13 177.685 0.005 . 1 . . 396 . . 18 LEU C . 51638 1 56 . 1 . 1 17 17 LEU CA C 13 55.704 0.01 . 1 . . 461 . . 18 LEU CA . 51638 1 57 . 1 . 1 17 17 LEU CB C 13 41.824 0.001 . 1 . . 460 . . 18 LEU CB . 51638 1 58 . 1 . 1 17 17 LEU N N 15 119.370 0.009 . 1 . . 98 . . 18 LEU N . 51638 1 59 . 1 . 1 18 18 ASN H H 1 8.154 0.001 . 1 . . 257 . . 19 ASN H . 51638 1 60 . 1 . 1 18 18 ASN C C 13 175.290 0.002 . 1 . . 286 . . 19 ASN C . 51638 1 61 . 1 . 1 18 18 ASN CA C 13 53.523 0.005 . 1 . . 540 . . 19 ASN CA . 51638 1 62 . 1 . 1 18 18 ASN CB C 13 38.784 0.0 . 1 . . 541 . . 19 ASN CB . 51638 1 63 . 1 . 1 18 18 ASN N N 15 118.444 0.009 . 1 . . 258 . . 19 ASN N . 51638 1 64 . 1 . 1 19 19 ALA H H 1 8.148 0.001 . 1 . . 39 . . 20 ALA H . 51638 1 65 . 1 . 1 19 19 ALA C C 13 177.822 0.005 . 1 . . 375 . . 20 ALA C . 51638 1 66 . 1 . 1 19 19 ALA CA C 13 53.074 0.026 . 1 . . 420 . . 20 ALA CA . 51638 1 67 . 1 . 1 19 19 ALA CB C 13 19.116 0.003 . 1 . . 421 . . 20 ALA CB . 51638 1 68 . 1 . 1 19 19 ALA N N 15 123.966 0.008 . 1 . . 40 . . 20 ALA N . 51638 1 69 . 1 . 1 20 20 SER H H 1 8.203 0.001 . 1 . . 211 . . 21 SER H . 51638 1 70 . 1 . 1 20 20 SER C C 13 173.897 0.001 . 1 . . 387 . . 21 SER C . 51638 1 71 . 1 . 1 20 20 SER CA C 13 58.615 0.018 . 1 . . 543 . . 21 SER CA . 51638 1 72 . 1 . 1 20 20 SER CB C 13 63.716 0.006 . 1 . . 542 . . 21 SER CB . 51638 1 73 . 1 . 1 20 20 SER N N 15 114.366 0.026 . 1 . . 212 . . 21 SER N . 51638 1 74 . 1 . 1 21 21 PHE H H 1 8.019 0.001 . 1 . . 235 . . 22 PHE H . 51638 1 75 . 1 . 1 21 21 PHE C C 13 175.115 0.003 . 1 . . 271 . . 22 PHE C . 51638 1 76 . 1 . 1 21 21 PHE CA C 13 57.406 0.012 . 1 . . 544 . . 22 PHE CA . 51638 1 77 . 1 . 1 21 21 PHE CB C 13 39.586 0.007 . 1 . . 545 . . 22 PHE CB . 51638 1 78 . 1 . 1 21 21 PHE N N 15 121.480 0.013 . 1 . . 236 . . 22 PHE N . 51638 1 79 . 1 . 1 22 22 LEU H H 1 8.183 0.002 . 1 . . 5 . . 23 LEU H . 51638 1 80 . 1 . 1 22 22 LEU C C 13 174.835 . . 1 . . 697 . . 23 LEU C . 51638 1 81 . 1 . 1 22 22 LEU CA C 13 52.686 . . 1 . . 699 . . 23 LEU CA . 51638 1 82 . 1 . 1 22 22 LEU CB C 13 41.995 . . 1 . . 698 . . 23 LEU CB . 51638 1 83 . 1 . 1 22 22 LEU N N 15 125.279 0.023 . 1 . . 6 . . 23 LEU N . 51638 1 84 . 1 . 1 23 23 PRO C C 13 177.019 0.006 . 1 . . 372 . . 24 PRO C . 51638 1 85 . 1 . 1 23 23 PRO CA C 13 63.196 0.054 . 1 . . 701 . . 24 PRO CA . 51638 1 86 . 1 . 1 23 23 PRO CB C 13 32.045 0.011 . 1 . . 700 . . 24 PRO CB . 51638 1 87 . 1 . 1 24 24 SER H H 1 8.385 0.001 . 1 . . 205 . . 25 SER H . 51638 1 88 . 1 . 1 24 24 SER C C 13 174.885 0.011 . 1 . . 288 . . 25 SER C . 51638 1 89 . 1 . 1 24 24 SER CA C 13 58.471 0.011 . 1 . . 535 . . 25 SER CA . 51638 1 90 . 1 . 1 24 24 SER CB C 13 63.797 0.017 . 1 . . 534 . . 25 SER CB . 51638 1 91 . 1 . 1 24 24 SER N N 15 115.605 0.014 . 1 . . 206 . . 25 SER N . 51638 1 92 . 1 . 1 25 25 GLU H H 1 8.540 0.001 . 1 . . 43 . . 26 GLU H . 51638 1 93 . 1 . 1 25 25 GLU C C 13 176.435 0.002 . 1 . . 648 . . 26 GLU C . 51638 1 94 . 1 . 1 25 25 GLU CA C 13 56.711 0.003 . 1 . . 649 . . 26 GLU CA . 51638 1 95 . 1 . 1 25 25 GLU CB C 13 30.202 0.0 . 1 . . 647 . . 26 GLU CB . 51638 1 96 . 1 . 1 25 25 GLU N N 15 122.770 0.014 . 1 . . 44 . . 26 GLU N . 51638 1 97 . 1 . 1 26 26 SER H H 1 8.322 0.001 . 1 . . 237 . . 27 SER H . 51638 1 98 . 1 . 1 26 26 SER C C 13 174.527 0.01 . 1 . . 282 . . 27 SER C . 51638 1 99 . 1 . 1 26 26 SER CA C 13 58.371 0.017 . 1 . . 650 . . 27 SER CA . 51638 1 100 . 1 . 1 26 26 SER CB C 13 64.019 0.007 . 1 . . 651 . . 27 SER CB . 51638 1 101 . 1 . 1 26 26 SER N N 15 116.007 0.035 . 1 . . 238 . . 27 SER N . 51638 1 102 . 1 . 1 27 27 GLY H H 1 8.161 0.001 . 1 . . 31 . . 28 GLY H . 51638 1 103 . 1 . 1 27 27 GLY C C 13 179.191 . . 1 . . 702 . . 28 GLY C . 51638 1 104 . 1 . 1 27 27 GLY CA C 13 44.861 . . 1 . . 703 . . 28 GLY CA . 51638 1 105 . 1 . 1 27 27 GLY N N 15 110.526 0.003 . 1 . . 32 . . 28 GLY N . 51638 1 106 . 1 . 1 28 28 PRO C C 13 176.955 0.006 . 1 . . 382 . . 29 PRO C . 51638 1 107 . 1 . 1 28 28 PRO CA C 13 63.452 . . 1 . . 682 . . 29 PRO CA . 51638 1 108 . 1 . 1 28 28 PRO CB C 13 31.808 0.003 . 1 . . 681 . . 29 PRO CB . 51638 1 109 . 1 . 1 29 29 TYR H H 1 8.337 0.003 . 1 . . 225 . . 30 TYR H . 51638 1 110 . 1 . 1 29 29 TYR C C 13 176.493 0.003 . 1 . . 289 . . 30 TYR C . 51638 1 111 . 1 . 1 29 29 TYR CA C 13 57.912 0.004 . 1 . . 666 . . 30 TYR CA . 51638 1 112 . 1 . 1 29 29 TYR CB C 13 38.270 0.002 . 1 . . 665 . . 30 TYR CB . 51638 1 113 . 1 . 1 29 29 TYR N N 15 119.723 0.036 . 1 . . 226 . . 30 TYR N . 51638 1 114 . 1 . 1 30 30 GLY H H 1 8.095 0.002 . 1 . . 45 . . 31 GLY H . 51638 1 115 . 1 . 1 30 30 GLY C C 13 173.842 0.004 . 1 . . 324 . . 31 GLY C . 51638 1 116 . 1 . 1 30 30 GLY CA C 13 45.295 0.0 . 1 . . 422 . . 31 GLY CA . 51638 1 117 . 1 . 1 30 30 GLY N N 15 110.364 0.032 . 1 . . 46 . . 31 GLY N . 51638 1 118 . 1 . 1 31 31 TYR H H 1 8.018 0.001 . 1 . . 117 . . 32 TYR H . 51638 1 119 . 1 . 1 31 31 TYR C C 13 175.812 0.003 . 1 . . 334 . . 32 TYR C . 51638 1 120 . 1 . 1 31 31 TYR CA C 13 58.156 0.018 . 1 . . 476 . . 32 TYR CA . 51638 1 121 . 1 . 1 31 31 TYR CB C 13 38.811 0.006 . 1 . . 475 . . 32 TYR CB . 51638 1 122 . 1 . 1 31 31 TYR N N 15 120.190 0.015 . 1 . . 118 . . 32 TYR N . 51638 1 123 . 1 . 1 32 32 SER H H 1 8.168 0.0 . 1 . . 141 . . 33 SER H . 51638 1 124 . 1 . 1 32 32 SER C C 13 173.293 0.001 . 1 . . 374 . . 33 SER C . 51638 1 125 . 1 . 1 32 32 SER CA C 13 57.949 0.028 . 1 . . 496 . . 33 SER CA . 51638 1 126 . 1 . 1 32 32 SER CB C 13 63.838 0.011 . 1 . . 495 . . 33 SER CB . 51638 1 127 . 1 . 1 32 32 SER N N 15 117.661 0.031 . 1 . . 142 . . 33 SER N . 51638 1 128 . 1 . 1 33 33 ASN H H 1 8.346 0.005 . 1 . . 209 . . 34 ASN H . 51638 1 129 . 1 . 1 33 33 ASN C C 13 173.435 . . 1 . . 706 . . 34 ASN C . 51638 1 130 . 1 . 1 33 33 ASN CA C 13 51.322 . . 1 . . 704 . . 34 ASN CA . 51638 1 131 . 1 . 1 33 33 ASN CB C 13 38.752 . . 1 . . 705 . . 34 ASN CB . 51638 1 132 . 1 . 1 33 33 ASN N N 15 121.729 0.015 . 1 . . 210 . . 34 ASN N . 51638 1 133 . 1 . 1 34 34 PRO C C 13 177.011 0.004 . 1 . . 290 . . 35 PRO C . 51638 1 134 . 1 . 1 34 34 PRO CA C 13 63.608 . . 1 . . 589 . . 35 PRO CA . 51638 1 135 . 1 . 1 34 34 PRO CB C 13 32.194 . . 1 . . 588 . . 35 PRO CB . 51638 1 136 . 1 . 1 35 35 LYS H H 1 8.283 0.002 . 1 . . 47 . . 36 LYS H . 51638 1 137 . 1 . 1 35 35 LYS C C 13 176.702 0.003 . 1 . . 397 . . 36 LYS C . 51638 1 138 . 1 . 1 35 35 LYS CA C 13 56.731 0.002 . 1 . . 424 . . 36 LYS CA . 51638 1 139 . 1 . 1 35 35 LYS CB C 13 32.552 0.06 . 1 . . 423 . . 36 LYS CB . 51638 1 140 . 1 . 1 35 35 LYS N N 15 120.181 0.014 . 1 . . 48 . . 36 LYS N . 51638 1 141 . 1 . 1 36 36 ILE H H 1 7.929 0.002 . 1 . . 259 . . 37 ILE H . 51638 1 142 . 1 . 1 36 36 ILE C C 13 176.111 0.007 . 1 . . 292 . . 37 ILE C . 51638 1 143 . 1 . 1 36 36 ILE CA C 13 60.988 0.02 . 1 . . 591 . . 37 ILE CA . 51638 1 144 . 1 . 1 36 36 ILE CB C 13 38.379 0.008 . 1 . . 590 . . 37 ILE CB . 51638 1 145 . 1 . 1 36 36 ILE N N 15 121.444 0.018 . 1 . . 260 . . 37 ILE N . 51638 1 146 . 1 . 1 37 37 LEU H H 1 8.293 0.002 . 1 . . 51 . . 38 LEU H . 51638 1 147 . 1 . 1 37 37 LEU C C 13 177.236 0.008 . 1 . . 340 . . 38 LEU C . 51638 1 148 . 1 . 1 37 37 LEU CA C 13 55.146 0.008 . 1 . . 428 . . 38 LEU CA . 51638 1 149 . 1 . 1 37 37 LEU CB C 13 42.238 0.011 . 1 . . 427 . . 38 LEU CB . 51638 1 150 . 1 . 1 37 37 LEU N N 15 126.647 0.029 . 1 . . 52 . . 38 LEU N . 51638 1 151 . 1 . 1 38 38 LYS H H 1 8.332 0.001 . 1 . . 151 . . 39 LYS H . 51638 1 152 . 1 . 1 38 38 LYS C C 13 176.608 0.001 . 1 . . 592 . . 39 LYS C . 51638 1 153 . 1 . 1 38 38 LYS CA C 13 56.478 0.007 . 1 . . 594 . . 39 LYS CA . 51638 1 154 . 1 . 1 38 38 LYS CB C 13 32.945 0.004 . 1 . . 593 . . 39 LYS CB . 51638 1 155 . 1 . 1 38 38 LYS N N 15 122.686 0.013 . 1 . . 152 . . 39 LYS N . 51638 1 156 . 1 . 1 39 39 GLN H H 1 8.470 0.001 . 1 . . 85 . . 40 GLN H . 51638 1 157 . 1 . 1 39 39 GLN C C 13 176.073 0.01 . 1 . . 347 . . 40 GLN C . 51638 1 158 . 1 . 1 39 39 GLN CA C 13 56.059 0.021 . 1 . . 453 . . 40 GLN CA . 51638 1 159 . 1 . 1 39 39 GLN CB C 13 29.496 0.0 . 1 . . 452 . . 40 GLN CB . 51638 1 160 . 1 . 1 39 39 GLN N N 15 121.861 0.022 . 1 . . 86 . . 40 GLN N . 51638 1 161 . 1 . 1 40 40 SER H H 1 8.453 0.002 . 1 . . 167 . . 41 SER H . 51638 1 162 . 1 . 1 40 40 SER C C 13 174.641 0.006 . 1 . . 363 . . 41 SER C . 51638 1 163 . 1 . 1 40 40 SER CA C 13 58.590 0.007 . 1 . . 511 . . 41 SER CA . 51638 1 164 . 1 . 1 40 40 SER CB C 13 63.669 0.011 . 1 . . 510 . . 41 SER CB . 51638 1 165 . 1 . 1 40 40 SER N N 15 117.246 0.018 . 1 . . 168 . . 41 SER N . 51638 1 166 . 1 . 1 41 41 MET H H 1 8.480 0.003 . 1 . . 65 . . 42 MET H . 51638 1 167 . 1 . 1 41 41 MET C C 13 176.356 0.005 . 1 . . 331 . . 42 MET C . 51638 1 168 . 1 . 1 41 41 MET CA C 13 55.634 0.018 . 1 . . 595 . . 42 MET CA . 51638 1 169 . 1 . 1 41 41 MET CB C 13 32.818 0.01 . 1 . . 596 . . 42 MET CB . 51638 1 170 . 1 . 1 41 41 MET N N 15 122.513 0.024 . 1 . . 66 . . 42 MET N . 51638 1 171 . 1 . 1 42 42 THR H H 1 8.211 0.001 . 1 . . 133 . . 43 THR H . 51638 1 172 . 1 . 1 42 42 THR C C 13 174.292 0.009 . 1 . . 272 . . 43 THR C . 51638 1 173 . 1 . 1 42 42 THR CA C 13 62.081 0.023 . 1 . . 490 . . 43 THR CA . 51638 1 174 . 1 . 1 42 42 THR CB C 13 69.682 0.003 . 1 . . 489 . . 43 THR CB . 51638 1 175 . 1 . 1 42 42 THR N N 15 115.715 0.009 . 1 . . 134 . . 43 THR N . 51638 1 176 . 1 . 1 43 43 LEU H H 1 8.286 0.001 . 1 . . 9 . . 44 LEU H . 51638 1 177 . 1 . 1 43 43 LEU C C 13 176.687 0.004 . 1 . . 326 . . 44 LEU C . 51638 1 178 . 1 . 1 43 43 LEU CA C 13 55.224 0.0 . 1 . . 408 . . 44 LEU CA . 51638 1 179 . 1 . 1 43 43 LEU CB C 13 42.465 0.008 . 1 . . 407 . . 44 LEU CB . 51638 1 180 . 1 . 1 43 43 LEU N N 15 124.894 0.011 . 1 . . 10 . . 44 LEU N . 51638 1 181 . 1 . 1 44 44 ASN H H 1 8.534 0.001 . 1 . . 123 . . 45 ASN H . 51638 1 182 . 1 . 1 44 44 ASN C C 13 175.060 0.005 . 1 . . 383 . . 45 ASN C . 51638 1 183 . 1 . 1 44 44 ASN CA C 13 53.063 0.008 . 1 . . 481 . . 45 ASN CA . 51638 1 184 . 1 . 1 44 44 ASN CB C 13 38.632 0.01 . 1 . . 482 . . 45 ASN CB . 51638 1 185 . 1 . 1 44 44 ASN N N 15 120.078 0.013 . 1 . . 124 . . 45 ASN N . 51638 1 186 . 1 . 1 45 45 LEU H H 1 8.317 0.001 . 1 . . 227 . . 46 LEU H . 51638 1 187 . 1 . 1 45 45 LEU C C 13 177.014 0.015 . 1 . . 550 . . 46 LEU C . 51638 1 188 . 1 . 1 45 45 LEU CA C 13 55.166 0.034 . 1 . . 547 . . 46 LEU CA . 51638 1 189 . 1 . 1 45 45 LEU CB C 13 42.246 0.018 . 1 . . 546 . . 46 LEU CB . 51638 1 190 . 1 . 1 45 45 LEU N N 15 123.313 0.015 . 1 . . 228 . . 46 LEU N . 51638 1 191 . 1 . 1 46 46 ALA H H 1 8.234 0.002 . 1 . . 253 . . 47 ALA H . 51638 1 192 . 1 . 1 46 46 ALA C C 13 177.201 0.007 . 1 . . 369 . . 47 ALA C . 51638 1 193 . 1 . 1 46 46 ALA CA C 13 52.281 0.014 . 1 . . 548 . . 47 ALA CA . 51638 1 194 . 1 . 1 46 46 ALA CB C 13 19.272 0.011 . 1 . . 549 . . 47 ALA CB . 51638 1 195 . 1 . 1 46 46 ALA N N 15 124.043 0.024 . 1 . . 254 . . 47 ALA N . 51638 1 196 . 1 . 1 47 47 ASP H H 1 8.197 0.002 . 1 . . 201 . . 48 ASP H . 51638 1 197 . 1 . 1 47 47 ASP C C 13 174.534 . . 1 . . 707 . . 48 ASP C . 51638 1 198 . 1 . 1 47 47 ASP CA C 13 52.366 . . 1 . . 709 . . 48 ASP CA . 51638 1 199 . 1 . 1 47 47 ASP CB C 13 40.772 . . 1 . . 708 . . 48 ASP CB . 51638 1 200 . 1 . 1 47 47 ASP N N 15 120.787 0.026 . 1 . . 202 . . 48 ASP N . 51638 1 201 . 1 . 1 48 48 PRO C C 13 177.385 0.008 . 1 . . 565 . . 49 PRO C . 51638 1 202 . 1 . 1 48 48 PRO CA C 13 63.429 . . 1 . . 563 . . 49 PRO CA . 51638 1 203 . 1 . 1 48 48 PRO CB C 13 32.130 . . 1 . . 564 . . 49 PRO CB . 51638 1 204 . 1 . 1 49 49 VAL H H 1 8.310 0.002 . 1 . . 7 . . 50 VAL H . 51638 1 205 . 1 . 1 49 49 VAL C C 13 177.238 0.006 . 1 . . 273 . . 50 VAL C . 51638 1 206 . 1 . 1 49 49 VAL CA C 13 63.216 0.036 . 1 . . 406 . . 50 VAL CA . 51638 1 207 . 1 . 1 49 49 VAL CB C 13 32.340 0.013 . 1 . . 405 . . 50 VAL CB . 51638 1 208 . 1 . 1 49 49 VAL N N 15 120.199 0.023 . 1 . . 8 . . 50 VAL N . 51638 1 209 . 1 . 1 50 50 GLY H H 1 8.453 0.002 . 1 . . 21 . . 51 GLY H . 51638 1 210 . 1 . 1 50 50 GLY C C 13 174.459 0.001 . 1 . . 350 . . 51 GLY C . 51638 1 211 . 1 . 1 50 50 GLY CA C 13 45.558 0.001 . 1 . . 562 . . 51 GLY CA . 51638 1 212 . 1 . 1 50 50 GLY N N 15 111.906 0.016 . 1 . . 22 . . 51 GLY N . 51638 1 213 . 1 . 1 51 51 SER H H 1 8.156 0.002 . 1 . . 171 . . 52 SER H . 51638 1 214 . 1 . 1 51 51 SER C C 13 174.519 . . 1 . . 642 . . 52 SER C . 51638 1 215 . 1 . 1 51 51 SER CA C 13 58.634 0.006 . 1 . . 645 . . 52 SER CA . 51638 1 216 . 1 . 1 51 51 SER CB C 13 63.842 0.005 . 1 . . 646 . . 52 SER CB . 51638 1 217 . 1 . 1 51 51 SER N N 15 115.380 0.018 . 1 . . 172 . . 52 SER N . 51638 1 218 . 1 . 1 52 52 LEU H H 1 8.276 0.001 . 1 . . 195 . . 53 LEU H . 51638 1 219 . 1 . 1 52 52 LEU C C 13 177.162 0.006 . 1 . . 281 . . 53 LEU C . 51638 1 220 . 1 . 1 52 52 LEU CA C 13 55.080 0.005 . 1 . . 530 . . 53 LEU CA . 51638 1 221 . 1 . 1 52 52 LEU CB C 13 42.195 0.004 . 1 . . 531 . . 53 LEU CB . 51638 1 222 . 1 . 1 52 52 LEU N N 15 123.788 0.015 . 1 . . 196 . . 53 LEU N . 51638 1 223 . 1 . 1 53 53 LYS H H 1 8.252 0.003 . 1 . . 29 . . 54 LYS H . 51638 1 224 . 1 . 1 53 53 LYS C C 13 174.482 . . 1 . . 710 . . 54 LYS C . 51638 1 225 . 1 . 1 53 53 LYS CA C 13 54.273 . . 1 . . 644 . . 54 LYS CA . 51638 1 226 . 1 . 1 53 53 LYS CB C 13 32.345 . . 1 . . 643 . . 54 LYS CB . 51638 1 227 . 1 . 1 53 53 LYS N N 15 123.286 0.019 . 1 . . 30 . . 54 LYS N . 51638 1 228 . 1 . 1 54 54 PRO C C 13 176.814 0.008 . 1 . . 394 . . 55 PRO C . 51638 1 229 . 1 . 1 54 54 PRO CA C 13 63.388 0.004 . 1 . . 674 . . 55 PRO CA . 51638 1 230 . 1 . 1 54 54 PRO CB C 13 32.095 0.0 . 1 . . 675 . . 55 PRO CB . 51638 1 231 . 1 . 1 55 55 HIS H H 1 8.536 0.002 . 1 . . 251 . . 56 HIS H . 51638 1 232 . 1 . 1 55 55 HIS C C 13 174.975 0.005 . 1 . . 308 . . 56 HIS C . 51638 1 233 . 1 . 1 55 55 HIS CA C 13 55.887 0.022 . 1 . . 655 . . 56 HIS CA . 51638 1 234 . 1 . 1 55 55 HIS CB C 13 29.846 0.015 . 1 . . 656 . . 56 HIS CB . 51638 1 235 . 1 . 1 55 55 HIS N N 15 119.197 0.013 . 1 . . 252 . . 56 HIS N . 51638 1 236 . 1 . 1 56 56 LEU H H 1 8.189 0.003 . 1 . . 81 . . 57 LEU H . 51638 1 237 . 1 . 1 56 56 LEU C C 13 177.012 0.004 . 1 . . 385 . . 57 LEU C . 51638 1 238 . 1 . 1 56 56 LEU CA C 13 54.956 0.016 . 1 . . 654 . . 57 LEU CA . 51638 1 239 . 1 . 1 56 56 LEU CB C 13 42.337 0.014 . 1 . . 653 . . 57 LEU CB . 51638 1 240 . 1 . 1 56 56 LEU N N 15 123.920 0.033 . 1 . . 82 . . 57 LEU N . 51638 1 241 . 1 . 1 57 57 ARG H H 1 8.366 0.002 . 1 . . 231 . . 58 ARG H . 51638 1 242 . 1 . 1 57 57 ARG C C 13 175.889 0.004 . 1 . . 309 . . 58 ARG C . 51638 1 243 . 1 . 1 57 57 ARG CA C 13 55.904 0.028 . 1 . . 658 . . 58 ARG CA . 51638 1 244 . 1 . 1 57 57 ARG CB C 13 30.865 0.006 . 1 . . 657 . . 58 ARG CB . 51638 1 245 . 1 . 1 57 57 ARG N N 15 122.427 0.018 . 1 . . 232 . . 58 ARG N . 51638 1 246 . 1 . 1 58 58 ALA H H 1 8.421 0.002 . 1 . . 83 . . 59 ALA H . 51638 1 247 . 1 . 1 58 58 ALA C C 13 177.723 0.001 . 1 . . 332 . . 59 ALA C . 51638 1 248 . 1 . 1 58 58 ALA CA C 13 52.381 0.009 . 1 . . 450 . . 59 ALA CA . 51638 1 249 . 1 . 1 58 58 ALA CB C 13 19.344 0.001 . 1 . . 451 . . 59 ALA CB . 51638 1 250 . 1 . 1 58 58 ALA N N 15 125.944 0.024 . 1 . . 84 . . 59 ALA N . 51638 1 251 . 1 . 1 59 59 LYS H H 1 8.467 0.0 . 1 . . 135 . . 60 LYS H . 51638 1 252 . 1 . 1 59 59 LYS C C 13 176.555 0.003 . 1 . . 337 . . 60 LYS C . 51638 1 253 . 1 . 1 59 59 LYS CA C 13 56.523 0.0 . 1 . . 491 . . 60 LYS CA . 51638 1 254 . 1 . 1 59 59 LYS CB C 13 33.028 0.001 . 1 . . 492 . . 60 LYS CB . 51638 1 255 . 1 . 1 59 59 LYS N N 15 121.177 0.007 . 1 . . 136 . . 60 LYS N . 51638 1 256 . 1 . 1 60 60 ASN H H 1 8.586 0.001 . 1 . . 145 . . 61 ASN H . 51638 1 257 . 1 . 1 60 60 ASN C C 13 175.526 0.003 . 1 . . 499 . . 61 ASN C . 51638 1 258 . 1 . 1 60 60 ASN CA C 13 53.538 0.006 . 1 . . 498 . . 61 ASN CA . 51638 1 259 . 1 . 1 60 60 ASN CB C 13 38.644 0.0 . 1 . . 497 . . 61 ASN CB . 51638 1 260 . 1 . 1 60 60 ASN N N 15 119.991 0.009 . 1 . . 146 . . 61 ASN N . 51638 1 261 . 1 . 1 61 61 SER H H 1 8.338 0.002 . 1 . . 105 . . 62 SER H . 51638 1 262 . 1 . 1 61 61 SER C C 13 174.430 0.006 . 1 . . 391 . . 62 SER C . 51638 1 263 . 1 . 1 61 61 SER CA C 13 58.819 0.028 . 1 . . 468 . . 62 SER CA . 51638 1 264 . 1 . 1 61 61 SER CB C 13 63.722 0.054 . 1 . . 467 . . 62 SER CB . 51638 1 265 . 1 . 1 61 61 SER N N 15 115.990 0.025 . 1 . . 106 . . 62 SER N . 51638 1 266 . 1 . 1 62 62 ASP H H 1 8.395 0.001 . 1 . . 245 . . 63 ASP H . 51638 1 267 . 1 . 1 62 62 ASP C C 13 176.213 0.008 . 1 . . 393 . . 63 ASP C . 51638 1 268 . 1 . 1 62 62 ASP CA C 13 54.710 0.017 . 1 . . 611 . . 63 ASP CA . 51638 1 269 . 1 . 1 62 62 ASP CB C 13 40.877 0.003 . 1 . . 610 . . 63 ASP CB . 51638 1 270 . 1 . 1 62 62 ASP N N 15 122.393 0.031 . 1 . . 246 . . 63 ASP N . 51638 1 271 . 1 . 1 63 63 LEU H H 1 8.087 0.001 . 1 . . 249 . . 64 LEU H . 51638 1 272 . 1 . 1 63 63 LEU C C 13 177.427 0.009 . 1 . . 377 . . 64 LEU C . 51638 1 273 . 1 . 1 63 63 LEU CA C 13 55.367 0.028 . 1 . . 613 . . 64 LEU CA . 51638 1 274 . 1 . 1 63 63 LEU CB C 13 42.171 0.017 . 1 . . 612 . . 64 LEU CB . 51638 1 275 . 1 . 1 63 63 LEU N N 15 121.393 0.007 . 1 . . 250 . . 64 LEU N . 51638 1 276 . 1 . 1 64 64 LEU H H 1 8.231 0.001 . 1 . . 215 . . 65 LEU H . 51638 1 277 . 1 . 1 64 64 LEU C C 13 177.537 0.006 . 1 . . 381 . . 65 LEU C . 51638 1 278 . 1 . 1 64 64 LEU CA C 13 55.245 0.006 . 1 . . 619 . . 65 LEU CA . 51638 1 279 . 1 . 1 64 64 LEU CB C 13 42.135 0.006 . 1 . . 618 . . 65 LEU CB . 51638 1 280 . 1 . 1 64 64 LEU N N 15 122.256 0.041 . 1 . . 216 . . 65 LEU N . 51638 1 281 . 1 . 1 65 65 THR H H 1 8.048 0.001 . 1 . . 223 . . 66 THR H . 51638 1 282 . 1 . 1 65 65 THR C C 13 174.256 0.01 . 1 . . 401 . . 66 THR C . 51638 1 283 . 1 . 1 65 65 THR CA C 13 61.608 0.007 . 1 . . 614 . . 66 THR CA . 51638 1 284 . 1 . 1 65 65 THR CB C 13 69.867 0.015 . 1 . . 615 . . 66 THR CB . 51638 1 285 . 1 . 1 65 65 THR N N 15 114.345 0.017 . 1 . . 224 . . 66 THR N . 51638 1 286 . 1 . 1 66 66 SER H H 1 8.356 0.003 . 1 . . 267 . . 67 SER H . 51638 1 287 . 1 . 1 66 66 SER C C 13 172.905 . . 1 . . 711 . . 67 SER C . 51638 1 288 . 1 . 1 66 66 SER CA C 13 56.396 . . 1 . . 616 . . 67 SER CA . 51638 1 289 . 1 . 1 66 66 SER CB C 13 63.421 . . 1 . . 617 . . 67 SER CB . 51638 1 290 . 1 . 1 66 66 SER N N 15 119.503 0.05 . 1 . . 268 . . 67 SER N . 51638 1 291 . 1 . 1 67 67 PRO C C 13 176.507 0.003 . 1 . . 379 . . 68 PRO C . 51638 1 292 . 1 . 1 67 67 PRO CA C 13 63.406 0.011 . 1 . . 713 . . 68 PRO CA . 51638 1 293 . 1 . 1 67 67 PRO CB C 13 32.115 0.009 . 1 . . 712 . . 68 PRO CB . 51638 1 294 . 1 . 1 68 68 ASP H H 1 8.400 0.002 . 1 . . 219 . . 69 ASP H . 51638 1 295 . 1 . 1 68 68 ASP C C 13 176.755 0.005 . 1 . . 537 . . 69 ASP C . 51638 1 296 . 1 . 1 68 68 ASP CA C 13 54.360 0.001 . 1 . . 538 . . 69 ASP CA . 51638 1 297 . 1 . 1 68 68 ASP CB C 13 41.002 0.001 . 1 . . 539 . . 69 ASP CB . 51638 1 298 . 1 . 1 68 68 ASP N N 15 120.319 0.02 . 1 . . 220 . . 69 ASP N . 51638 1 299 . 1 . 1 69 69 VAL H H 1 8.108 0.001 . 1 . . 93 . . 70 VAL H . 51638 1 300 . 1 . 1 69 69 VAL C C 13 177.004 0.002 . 1 . . 284 . . 70 VAL C . 51638 1 301 . 1 . 1 69 69 VAL CA C 13 62.947 0.007 . 1 . . 458 . . 70 VAL CA . 51638 1 302 . 1 . 1 69 69 VAL CB C 13 32.286 0.028 . 1 . . 459 . . 70 VAL CB . 51638 1 303 . 1 . 1 69 69 VAL N N 15 120.609 0.044 . 1 . . 94 . . 70 VAL N . 51638 1 304 . 1 . 1 70 70 GLY H H 1 8.529 0.001 . 1 . . 35 . . 71 GLY H . 51638 1 305 . 1 . 1 70 70 GLY C C 13 174.453 0.005 . 1 . . 325 . . 71 GLY C . 51638 1 306 . 1 . 1 70 70 GLY CA C 13 45.571 0.006 . 1 . . 628 . . 71 GLY CA . 51638 1 307 . 1 . 1 70 70 GLY N N 15 111.315 0.016 . 1 . . 36 . . 71 GLY N . 51638 1 308 . 1 . 1 71 71 LEU H H 1 7.991 0.001 . 1 . . 119 . . 72 LEU H . 51638 1 309 . 1 . 1 71 71 LEU C C 13 177.695 0.001 . 1 . . 479 . . 72 LEU C . 51638 1 310 . 1 . 1 71 71 LEU CA C 13 55.439 0.005 . 1 . . 477 . . 72 LEU CA . 51638 1 311 . 1 . 1 71 71 LEU CB C 13 42.269 0.012 . 1 . . 478 . . 72 LEU CB . 51638 1 312 . 1 . 1 71 71 LEU N N 15 121.239 0.01 . 1 . . 120 . . 72 LEU N . 51638 1 313 . 1 . 1 72 72 LEU H H 1 8.117 0.001 . 1 . . 143 . . 73 LEU H . 51638 1 314 . 1 . 1 72 72 LEU C C 13 177.216 0.01 . 1 . . 348 . . 73 LEU C . 51638 1 315 . 1 . 1 72 72 LEU CA C 13 55.388 0.004 . 1 . . 689 . . 73 LEU CA . 51638 1 316 . 1 . 1 72 72 LEU CB C 13 42.136 0.017 . 1 . . 688 . . 73 LEU CB . 51638 1 317 . 1 . 1 72 72 LEU N N 15 122.223 0.027 . 1 . . 144 . . 73 LEU N . 51638 1 318 . 1 . 1 73 73 LYS H H 1 8.225 0.002 . 1 . . 169 . . 74 LYS H . 51638 1 319 . 1 . 1 73 73 LYS C C 13 176.324 0.004 . 1 . . 278 . . 74 LYS C . 51638 1 320 . 1 . 1 73 73 LYS CA C 13 56.099 0.012 . 1 . . 630 . . 74 LYS CA . 51638 1 321 . 1 . 1 73 73 LYS CB C 13 32.781 0.005 . 1 . . 629 . . 74 LYS CB . 51638 1 322 . 1 . 1 73 73 LYS N N 15 122.199 0.076 . 1 . . 170 . . 74 LYS N . 51638 1 323 . 1 . 1 74 74 LEU H H 1 8.217 0.004 . 1 . . 19 . . 75 LEU H . 51638 1 324 . 1 . 1 74 74 LEU C C 13 177.013 0.013 . 1 . . 277 . . 75 LEU C . 51638 1 325 . 1 . 1 74 74 LEU CA C 13 54.942 0.043 . 1 . . 575 . . 75 LEU CA . 51638 1 326 . 1 . 1 74 74 LEU CB C 13 42.435 0.014 . 1 . . 574 . . 75 LEU CB . 51638 1 327 . 1 . 1 74 74 LEU N N 15 123.626 0.036 . 1 . . 20 . . 75 LEU N . 51638 1 328 . 1 . 1 75 75 ALA H H 1 8.348 0.001 . 1 . . 17 . . 76 ALA H . 51638 1 329 . 1 . 1 75 75 ALA C C 13 177.400 0.007 . 1 . . 318 . . 76 ALA C . 51638 1 330 . 1 . 1 75 75 ALA CA C 13 52.329 0.01 . 1 . . 409 . . 76 ALA CA . 51638 1 331 . 1 . 1 75 75 ALA CB C 13 19.360 0.015 . 1 . . 410 . . 76 ALA CB . 51638 1 332 . 1 . 1 75 75 ALA N N 15 124.875 0.026 . 1 . . 18 . . 76 ALA N . 51638 1 333 . 1 . 1 76 76 SER H H 1 8.323 0.001 . 1 . . 103 . . 77 SER H . 51638 1 334 . 1 . 1 76 76 SER C C 13 173.035 . . 1 . . 714 . . 77 SER C . 51638 1 335 . 1 . 1 76 76 SER CA C 13 56.481 . . 1 . . 576 . . 77 SER CA . 51638 1 336 . 1 . 1 76 76 SER CB C 13 63.308 . . 1 . . 577 . . 77 SER CB . 51638 1 337 . 1 . 1 76 76 SER N N 15 116.461 0.022 . 1 . . 104 . . 77 SER N . 51638 1 338 . 1 . 1 77 77 PRO C C 13 177.562 0.005 . 1 . . 365 . . 78 PRO C . 51638 1 339 . 1 . 1 77 77 PRO CA C 13 64.025 0.004 . 1 . . 715 . . 78 PRO CA . 51638 1 340 . 1 . 1 77 77 PRO CB C 13 31.967 0.032 . 1 . . 716 . . 78 PRO CB . 51638 1 341 . 1 . 1 78 78 GLU H H 1 8.566 0.002 . 1 . . 193 . . 79 GLU H . 51638 1 342 . 1 . 1 78 78 GLU C C 13 177.166 0.005 . 1 . . 527 . . 79 GLU C . 51638 1 343 . 1 . 1 78 78 GLU CA C 13 57.453 0.001 . 1 . . 529 . . 79 GLU CA . 51638 1 344 . 1 . 1 78 78 GLU CB C 13 29.586 0.03 . 1 . . 528 . . 79 GLU CB . 51638 1 345 . 1 . 1 78 78 GLU N N 15 120.010 0.019 . 1 . . 194 . . 79 GLU N . 51638 1 346 . 1 . 1 79 79 LEU H H 1 8.097 0.002 . 1 . . 335 . . 80 LEU H . 51638 1 347 . 1 . 1 79 79 LEU C C 13 178.014 0.008 . 1 . . 295 . . 80 LEU C . 51638 1 348 . 1 . 1 79 79 LEU CA C 13 55.926 0.011 . 1 . . 600 . . 80 LEU CA . 51638 1 349 . 1 . 1 79 79 LEU CB C 13 42.018 0.028 . 1 . . 601 . . 80 LEU CB . 51638 1 350 . 1 . 1 79 79 LEU N N 15 122.249 0.018 . 1 . . 336 . . 80 LEU N . 51638 1 351 . 1 . 1 80 80 GLU H H 1 8.269 0.0 . 1 . . 57 . . 81 GLU H . 51638 1 352 . 1 . 1 80 80 GLU C C 13 176.948 0.001 . 1 . . 435 . . 81 GLU C . 51638 1 353 . 1 . 1 80 80 GLU CA C 13 57.437 0.009 . 1 . . 434 . . 81 GLU CA . 51638 1 354 . 1 . 1 80 80 GLU CB C 13 29.972 0.003 . 1 . . 433 . . 81 GLU CB . 51638 1 355 . 1 . 1 80 80 GLU N N 15 120.648 0.021 . 1 . . 58 . . 81 GLU N . 51638 1 356 . 1 . 1 81 81 ARG H H 1 8.123 0.005 . 1 . . 312 . . 82 ARG H . 51638 1 357 . 1 . 1 81 81 ARG C C 13 176.457 0.011 . 1 . . 402 . . 82 ARG C . 51638 1 358 . 1 . 1 81 81 ARG CA C 13 56.766 0.057 . 1 . . 602 . . 82 ARG CA . 51638 1 359 . 1 . 1 81 81 ARG CB C 13 30.515 0.006 . 1 . . 603 . . 82 ARG CB . 51638 1 360 . 1 . 1 81 81 ARG N N 15 120.802 0.048 . 1 . . 313 . . 82 ARG N . 51638 1 361 . 1 . 1 82 82 LEU H H 1 8.103 0.002 . 1 . . 370 . . 83 LEU H . 51638 1 362 . 1 . 1 82 82 LEU C C 13 177.583 0.008 . 1 . . 296 . . 83 LEU C . 51638 1 363 . 1 . 1 82 82 LEU CA C 13 55.670 0.046 . 1 . . 605 . . 83 LEU CA . 51638 1 364 . 1 . 1 82 82 LEU CB C 13 42.184 0.018 . 1 . . 604 . . 83 LEU CB . 51638 1 365 . 1 . 1 82 82 LEU N N 15 122.556 0.027 . 1 . . 371 . . 83 LEU N . 51638 1 366 . 1 . 1 83 83 ILE H H 1 8.172 0.003 . 1 . . 59 . . 84 ILE H . 51638 1 367 . 1 . 1 83 83 ILE C C 13 176.722 0.0 . 1 . . 399 . . 84 ILE C . 51638 1 368 . 1 . 1 83 83 ILE CA C 13 61.676 0.017 . 1 . . 436 . . 84 ILE CA . 51638 1 369 . 1 . 1 83 83 ILE CB C 13 38.271 0.003 . 1 . . 437 . . 84 ILE CB . 51638 1 370 . 1 . 1 83 83 ILE N N 15 122.689 0.056 . 1 . . 60 . . 84 ILE N . 51638 1 371 . 1 . 1 84 84 ILE H H 1 8.272 0.002 . 1 . . 263 . . 85 ILE H . 51638 1 372 . 1 . 1 84 84 ILE C C 13 176.678 0.007 . 1 . . 395 . . 85 ILE C . 51638 1 373 . 1 . 1 84 84 ILE CA C 13 61.480 0.008 . 1 . . 607 . . 85 ILE CA . 51638 1 374 . 1 . 1 84 84 ILE CB C 13 38.332 0.034 . 1 . . 606 . . 85 ILE CB . 51638 1 375 . 1 . 1 84 84 ILE N N 15 125.494 0.039 . 1 . . 264 . . 85 ILE N . 51638 1 376 . 1 . 1 85 85 GLN H H 1 8.531 0.003 . 1 . . 255 . . 86 GLN H . 51638 1 377 . 1 . 1 85 85 GLN C C 13 176.200 0.01 . 1 . . 354 . . 86 GLN C . 51638 1 378 . 1 . 1 85 85 GLN CA C 13 56.097 0.001 . 1 . . 608 . . 86 GLN CA . 51638 1 379 . 1 . 1 85 85 GLN CB C 13 29.426 0.047 . 1 . . 609 . . 86 GLN CB . 51638 1 380 . 1 . 1 85 85 GLN N N 15 124.434 0.05 . 1 . . 256 . . 86 GLN N . 51638 1 381 . 1 . 1 86 86 SER H H 1 8.427 0.003 . 1 . . 179 . . 87 SER H . 51638 1 382 . 1 . 1 86 86 SER C C 13 174.846 0.011 . 1 . . 328 . . 87 SER C . 51638 1 383 . 1 . 1 86 86 SER CA C 13 58.579 0.013 . 1 . . 664 . . 87 SER CA . 51638 1 384 . 1 . 1 86 86 SER CB C 13 63.840 0.009 . 1 . . 663 . . 87 SER CB . 51638 1 385 . 1 . 1 86 86 SER N N 15 117.161 0.014 . 1 . . 180 . . 87 SER N . 51638 1 386 . 1 . 1 87 87 SER H H 1 8.445 0.003 . 1 . . 127 . . 88 SER H . 51638 1 387 . 1 . 1 87 87 SER C C 13 174.552 0.002 . 1 . . 297 . . 88 SER C . 51638 1 388 . 1 . 1 87 87 SER CA C 13 58.651 0.02 . 1 . . 661 . . 88 SER CA . 51638 1 389 . 1 . 1 87 87 SER CB C 13 63.690 0.008 . 1 . . 662 . . 88 SER CB . 51638 1 390 . 1 . 1 87 87 SER N N 15 117.820 0.017 . 1 . . 128 . . 88 SER N . 51638 1 391 . 1 . 1 88 88 ASN H H 1 8.463 0.003 . 1 . . 61 . . 89 ASN H . 51638 1 392 . 1 . 1 88 88 ASN C C 13 175.721 0.002 . 1 . . 314 . . 89 ASN C . 51638 1 393 . 1 . 1 88 88 ASN CA C 13 53.405 0.013 . 1 . . 438 . . 89 ASN CA . 51638 1 394 . 1 . 1 88 88 ASN CB C 13 38.659 0.005 . 1 . . 439 . . 89 ASN CB . 51638 1 395 . 1 . 1 88 88 ASN N N 15 120.482 0.013 . 1 . . 62 . . 89 ASN N . 51638 1 396 . 1 . 1 89 89 GLY H H 1 8.379 0.001 . 1 . . 95 . . 90 GLY H . 51638 1 397 . 1 . 1 89 89 GLY C C 13 173.835 0.005 . 1 . . 305 . . 90 GLY C . 51638 1 398 . 1 . 1 89 89 GLY CA C 13 45.415 0.004 . 1 . . 464 . . 90 GLY CA . 51638 1 399 . 1 . 1 89 89 GLY N N 15 108.673 0.009 . 1 . . 96 . . 90 GLY N . 51638 1 400 . 1 . 1 90 90 HIS H H 1 8.247 0.002 . 1 . . 75 . . 91 HIS H . 51638 1 401 . 1 . 1 90 90 HIS C C 13 174.631 0.006 . 1 . . 446 . . 91 HIS C . 51638 1 402 . 1 . 1 90 90 HIS CA C 13 55.627 0.004 . 1 . . 447 . . 91 HIS CA . 51638 1 403 . 1 . 1 90 90 HIS CB C 13 29.776 0.014 . 1 . . 448 . . 91 HIS CB . 51638 1 404 . 1 . 1 90 90 HIS N N 15 118.784 0.008 . 1 . . 76 . . 91 HIS N . 51638 1 405 . 1 . 1 91 91 ILE H H 1 8.287 0.001 . 1 . . 87 . . 92 ILE H . 51638 1 406 . 1 . 1 91 91 ILE C C 13 176.345 0.004 . 1 . . 293 . . 92 ILE C . 51638 1 407 . 1 . 1 91 91 ILE CA C 13 61.022 0.005 . 1 . . 455 . . 92 ILE CA . 51638 1 408 . 1 . 1 91 91 ILE CB C 13 38.753 0.012 . 1 . . 454 . . 92 ILE CB . 51638 1 409 . 1 . 1 91 91 ILE N N 15 123.372 0.038 . 1 . . 88 . . 92 ILE N . 51638 1 410 . 1 . 1 92 92 THR H H 1 8.476 0.001 . 1 . . 53 . . 93 THR H . 51638 1 411 . 1 . 1 92 92 THR C C 13 174.451 0.009 . 1 . . 342 . . 93 THR C . 51638 1 412 . 1 . 1 92 92 THR CA C 13 61.743 0.009 . 1 . . 430 . . 93 THR CA . 51638 1 413 . 1 . 1 92 92 THR CB C 13 69.821 0.008 . 1 . . 429 . . 93 THR CB . 51638 1 414 . 1 . 1 92 92 THR N N 15 119.832 0.022 . 1 . . 54 . . 93 THR N . 51638 1 415 . 1 . 1 93 93 THR H H 1 8.315 0.001 . 1 . . 155 . . 94 THR H . 51638 1 416 . 1 . 1 93 93 THR C C 13 174.320 0.007 . 1 . . 307 . . 94 THR C . 51638 1 417 . 1 . 1 93 93 THR CA C 13 61.589 0.023 . 1 . . 599 . . 94 THR CA . 51638 1 418 . 1 . 1 93 93 THR CB C 13 69.882 0.03 . 1 . . 598 . . 94 THR CB . 51638 1 419 . 1 . 1 93 93 THR N N 15 117.323 0.018 . 1 . . 156 . . 94 THR N . 51638 1 420 . 1 . 1 94 94 THR H H 1 8.354 0.001 . 1 . . 79 . . 95 THR H . 51638 1 421 . 1 . 1 94 94 THR C C 13 179.593 . . 1 . . 718 . . 95 THR C . 51638 1 422 . 1 . 1 94 94 THR CA C 13 59.892 . . 1 . . 717 . . 95 THR CA . 51638 1 423 . 1 . 1 94 94 THR CB C 13 69.640 . . 1 . . 597 . . 95 THR CB . 51638 1 424 . 1 . 1 94 94 THR N N 15 119.810 0.023 . 1 . . 80 . . 95 THR N . 51638 1 425 . 1 . 1 95 95 PRO C C 13 176.766 0.008 . 1 . . 320 . . 96 PRO C . 51638 1 426 . 1 . 1 95 95 PRO CA C 13 63.055 0.014 . 1 . . 671 . . 96 PRO CA . 51638 1 427 . 1 . 1 95 95 PRO CB C 13 32.162 0.003 . 1 . . 670 . . 96 PRO CB . 51638 1 428 . 1 . 1 96 96 THR H H 1 8.455 0.001 . 1 . . 109 . . 97 THR H . 51638 1 429 . 1 . 1 96 96 THR C C 13 173.029 . . 1 . . 669 . . 97 THR C . 51638 1 430 . 1 . 1 96 96 THR CA C 13 60.099 . . 1 . . 667 . . 97 THR CA . 51638 1 431 . 1 . 1 96 96 THR CB C 13 69.674 . . 1 . . 668 . . 97 THR CB . 51638 1 432 . 1 . 1 96 96 THR N N 15 118.292 0.009 . 1 . . 110 . . 97 THR N . 51638 1 433 . 1 . 1 97 97 PRO C C 13 177.130 0.002 . 1 . . 357 . . 98 PRO C . 51638 1 434 . 1 . 1 97 97 PRO CA C 13 63.411 0.008 . 1 . . 719 . . 98 PRO CA . 51638 1 435 . 1 . 1 97 97 PRO CB C 13 32.211 0.002 . 1 . . 720 . . 98 PRO CB . 51638 1 436 . 1 . 1 98 98 THR H H 1 8.294 0.001 . 1 . . 185 . . 99 THR H . 51638 1 437 . 1 . 1 98 98 THR C C 13 174.502 0.003 . 1 . . 353 . . 99 THR C . 51638 1 438 . 1 . 1 98 98 THR CA C 13 62.381 0.004 . 1 . . 522 . . 99 THR CA . 51638 1 439 . 1 . 1 98 98 THR CB C 13 69.663 0.008 . 1 . . 521 . . 99 THR CB . 51638 1 440 . 1 . 1 98 98 THR N N 15 114.987 0.007 . 1 . . 186 . . 99 THR N . 51638 1 441 . 1 . 1 99 99 GLN H H 1 8.370 0.001 . 1 . . 177 . . 100 GLN H . 51638 1 442 . 1 . 1 99 99 GLN C C 13 175.338 0.003 . 1 . . 380 . . 100 GLN C . 51638 1 443 . 1 . 1 99 99 GLN CA C 13 55.886 0.019 . 1 . . 517 . . 100 GLN CA . 51638 1 444 . 1 . 1 99 99 GLN CB C 13 29.459 0.006 . 1 . . 516 . . 100 GLN CB . 51638 1 445 . 1 . 1 99 99 GLN N N 15 122.619 0.03 . 1 . . 178 . . 100 GLN N . 51638 1 446 . 1 . 1 100 100 PHE H H 1 8.309 0.001 . 1 . . 221 . . 101 PHE H . 51638 1 447 . 1 . 1 100 100 PHE C C 13 175.307 0.011 . 1 . . 551 . . 101 PHE C . 51638 1 448 . 1 . 1 100 100 PHE CA C 13 57.593 0.0 . 1 . . 570 . . 101 PHE CA . 51638 1 449 . 1 . 1 100 100 PHE CB C 13 39.497 0.005 . 1 . . 571 . . 101 PHE CB . 51638 1 450 . 1 . 1 100 100 PHE N N 15 121.551 0.013 . 1 . . 222 . . 101 PHE N . 51638 1 451 . 1 . 1 101 101 LEU H H 1 8.192 0.002 . 1 . . 27 . . 102 LEU H . 51638 1 452 . 1 . 1 101 101 LEU C C 13 176.412 0.003 . 1 . . 276 . . 102 LEU C . 51638 1 453 . 1 . 1 101 101 LEU CA C 13 54.798 0.035 . 1 . . 417 . . 102 LEU CA . 51638 1 454 . 1 . 1 101 101 LEU CB C 13 42.412 0.03 . 1 . . 416 . . 102 LEU CB . 51638 1 455 . 1 . 1 101 101 LEU N N 15 124.190 0.033 . 1 . . 28 . . 102 LEU N . 51638 1 456 . 1 . 1 102 102 CYS H H 1 8.395 0.001 . 1 . . 15 . . 103 CYS H . 51638 1 457 . 1 . 1 102 102 CYS C C 13 179.579 . . 1 . . 723 . . 103 CYS C . 51638 1 458 . 1 . 1 102 102 CYS CA C 13 56.541 . . 1 . . 721 . . 103 CYS CA . 51638 1 459 . 1 . 1 102 102 CYS CB C 13 27.400 . . 1 . . 722 . . 103 CYS CB . 51638 1 460 . 1 . 1 102 102 CYS N N 15 122.254 0.03 . 1 . . 16 . . 103 CYS N . 51638 1 461 . 1 . 1 103 103 PRO C C 13 176.634 . . 1 . . 367 . . 104 PRO C . 51638 1 462 . 1 . 1 103 103 PRO CA C 13 63.220 . . 1 . . 724 . . 104 PRO CA . 51638 1 463 . 1 . 1 103 103 PRO CB C 13 32.196 0.007 . 1 . . 725 . . 104 PRO CB . 51638 1 464 . 1 . 1 104 104 LYS H H 1 8.469 0.001 . 1 . . 197 . . 105 LYS H . 51638 1 465 . 1 . 1 104 104 LYS C C 13 176.264 0.006 . 1 . . 376 . . 105 LYS C . 51638 1 466 . 1 . 1 104 104 LYS CA C 13 56.311 0.019 . 1 . . 533 . . 105 LYS CA . 51638 1 467 . 1 . 1 104 104 LYS CB C 13 33.203 0.018 . 1 . . 532 . . 105 LYS CB . 51638 1 468 . 1 . 1 104 104 LYS N N 15 121.734 0.012 . 1 . . 198 . . 105 LYS N . 51638 1 469 . 1 . 1 105 105 ASN H H 1 8.580 0.003 . 1 . . 213 . . 106 ASN H . 51638 1 470 . 1 . 1 105 105 ASN C C 13 175.308 0.006 . 1 . . 311 . . 106 ASN C . 51638 1 471 . 1 . 1 105 105 ASN CA C 13 53.180 0.019 . 1 . . 659 . . 106 ASN CA . 51638 1 472 . 1 . 1 105 105 ASN CB C 13 38.855 0.018 . 1 . . 660 . . 106 ASN CB . 51638 1 473 . 1 . 1 105 105 ASN N N 15 120.406 0.032 . 1 . . 214 . . 106 ASN N . 51638 1 474 . 1 . 1 106 106 VAL H H 1 8.257 0.003 . 1 . . 91 . . 107 VAL H . 51638 1 475 . 1 . 1 106 106 VAL C C 13 176.432 0.002 . 1 . . 373 . . 107 VAL C . 51638 1 476 . 1 . 1 106 106 VAL CA C 13 62.693 0.007 . 1 . . 456 . . 107 VAL CA . 51638 1 477 . 1 . 1 106 106 VAL CB C 13 32.624 0.008 . 1 . . 457 . . 107 VAL CB . 51638 1 478 . 1 . 1 106 106 VAL N N 15 120.629 0.013 . 1 . . 92 . . 107 VAL N . 51638 1 479 . 1 . 1 107 107 THR H H 1 8.227 0.002 . 1 . . 207 . . 108 THR H . 51638 1 480 . 1 . 1 107 107 THR C C 13 174.419 0.004 . 1 . . 294 . . 108 THR C . 51638 1 481 . 1 . 1 107 107 THR CA C 13 61.980 0.009 . 1 . . 627 . . 108 THR CA . 51638 1 482 . 1 . 1 107 107 THR CB C 13 69.748 0.018 . 1 . . 626 . . 108 THR CB . 51638 1 483 . 1 . 1 107 107 THR N N 15 116.757 0.009 . 1 . . 208 . . 108 THR N . 51638 1 484 . 1 . 1 108 108 ASP H H 1 8.332 0.001 . 1 . . 55 . . 109 ASP H . 51638 1 485 . 1 . 1 108 108 ASP C C 13 176.475 0.009 . 1 . . 279 . . 109 ASP C . 51638 1 486 . 1 . 1 108 108 ASP CA C 13 54.659 0.012 . 1 . . 432 . . 109 ASP CA . 51638 1 487 . 1 . 1 108 108 ASP CB C 13 41.055 0.001 . 1 . . 431 . . 109 ASP CB . 51638 1 488 . 1 . 1 108 108 ASP N N 15 122.571 0.008 . 1 . . 56 . . 109 ASP N . 51638 1 489 . 1 . 1 109 109 GLU H H 1 8.396 0.001 . 1 . . 23 . . 110 GLU H . 51638 1 490 . 1 . 1 109 109 GLU C C 13 176.723 0.003 . 1 . . 412 . . 110 GLU C . 51638 1 491 . 1 . 1 109 109 GLU CA C 13 56.933 0.006 . 1 . . 413 . . 110 GLU CA . 51638 1 492 . 1 . 1 109 109 GLU CB C 13 30.042 0.008 . 1 . . 411 . . 110 GLU CB . 51638 1 493 . 1 . 1 109 109 GLU N N 15 121.306 0.01 . 1 . . 24 . . 110 GLU N . 51638 1 494 . 1 . 1 110 110 GLN H H 1 8.410 0.003 . 1 . . 187 . . 111 GLN H . 51638 1 495 . 1 . 1 110 110 GLN C C 13 176.254 0.014 . 1 . . 303 . . 111 GLN C . 51638 1 496 . 1 . 1 110 110 GLN CA C 13 55.937 0.012 . 1 . . 523 . . 111 GLN CA . 51638 1 497 . 1 . 1 110 110 GLN CB C 13 29.393 0.01 . 1 . . 524 . . 111 GLN CB . 51638 1 498 . 1 . 1 110 110 GLN N N 15 120.736 0.031 . 1 . . 188 . . 111 GLN N . 51638 1 499 . 1 . 1 111 111 GLU H H 1 8.452 0.0 . 1 . . 71 . . 112 GLU H . 51638 1 500 . 1 . 1 111 111 GLU C C 13 177.037 0.009 . 1 . . 306 . . 112 GLU C . 51638 1 501 . 1 . 1 111 111 GLU CA C 13 57.109 0.045 . 1 . . 443 . . 112 GLU CA . 51638 1 502 . 1 . 1 111 111 GLU CB C 13 30.047 0.003 . 1 . . 442 . . 112 GLU CB . 51638 1 503 . 1 . 1 111 111 GLU N N 15 122.334 0.01 . 1 . . 72 . . 112 GLU N . 51638 1 504 . 1 . 1 112 112 GLY H H 1 8.446 0.004 . 1 . . 77 . . 113 GLY H . 51638 1 505 . 1 . 1 112 112 GLY C C 13 174.128 0.006 . 1 . . 386 . . 113 GLY C . 51638 1 506 . 1 . 1 112 112 GLY CA C 13 45.274 0.008 . 1 . . 449 . . 113 GLY CA . 51638 1 507 . 1 . 1 112 112 GLY N N 15 110.032 0.039 . 1 . . 78 . . 113 GLY N . 51638 1 508 . 1 . 1 113 113 PHE H H 1 8.094 0.003 . 1 . . 233 . . 114 PHE H . 51638 1 509 . 1 . 1 113 113 PHE C C 13 175.974 0.009 . 1 . . 389 . . 114 PHE C . 51638 1 510 . 1 . 1 113 113 PHE CA C 13 57.975 0.053 . 1 . . 579 . . 114 PHE CA . 51638 1 511 . 1 . 1 113 113 PHE CB C 13 39.664 0.022 . 1 . . 578 . . 114 PHE CB . 51638 1 512 . 1 . 1 113 113 PHE N N 15 120.276 0.04 . 1 . . 234 . . 114 PHE N . 51638 1 513 . 1 . 1 114 114 ALA H H 1 8.353 0.002 . 1 . . 241 . . 115 ALA H . 51638 1 514 . 1 . 1 114 114 ALA C C 13 177.914 0.006 . 1 . . 392 . . 115 ALA C . 51638 1 515 . 1 . 1 114 114 ALA CA C 13 52.826 0.014 . 1 . . 581 . . 115 ALA CA . 51638 1 516 . 1 . 1 114 114 ALA CB C 13 19.152 0.007 . 1 . . 580 . . 115 ALA CB . 51638 1 517 . 1 . 1 114 114 ALA N N 15 125.323 0.016 . 1 . . 242 . . 115 ALA N . 51638 1 518 . 1 . 1 115 115 GLU H H 1 8.449 0.002 . 1 . . 247 . . 116 GLU H . 51638 1 519 . 1 . 1 115 115 GLU C C 13 177.537 0.008 . 1 . . 310 . . 116 GLU C . 51638 1 520 . 1 . 1 115 115 GLU CA C 13 57.563 0.038 . 1 . . 583 . . 116 GLU CA . 51638 1 521 . 1 . 1 115 115 GLU CB C 13 29.799 0.003 . 1 . . 582 . . 116 GLU CB . 51638 1 522 . 1 . 1 115 115 GLU N N 15 120.174 0.022 . 1 . . 248 . . 116 GLU N . 51638 1 523 . 1 . 1 116 116 GLY H H 1 8.441 0.002 . 1 . . 89 . . 117 GLY H . 51638 1 524 . 1 . 1 116 116 GLY C C 13 174.433 0.009 . 1 . . 351 . . 117 GLY C . 51638 1 525 . 1 . 1 116 116 GLY CA C 13 45.633 0.015 . 1 . . 641 . . 117 GLY CA . 51638 1 526 . 1 . 1 116 116 GLY N N 15 109.446 0.024 . 1 . . 90 . . 117 GLY N . 51638 1 527 . 1 . 1 117 117 PHE H H 1 7.972 0.001 . 1 . . 173 . . 118 PHE H . 51638 1 528 . 1 . 1 117 117 PHE C C 13 175.921 0.01 . 1 . . 346 . . 118 PHE C . 51638 1 529 . 1 . 1 117 117 PHE CA C 13 58.608 0.007 . 1 . . 513 . . 118 PHE CA . 51638 1 530 . 1 . 1 117 117 PHE CB C 13 39.570 0.035 . 1 . . 512 . . 118 PHE CB . 51638 1 531 . 1 . 1 117 117 PHE N N 15 120.872 0.028 . 1 . . 174 . . 118 PHE N . 51638 1 532 . 1 . 1 118 118 VAL H H 1 8.021 0.001 . 1 . . 165 . . 119 VAL H . 51638 1 533 . 1 . 1 118 118 VAL C C 13 176.476 0.004 . 1 . . 691 . . 119 VAL C . 51638 1 534 . 1 . 1 118 118 VAL CA C 13 63.269 0.006 . 1 . . 640 . . 119 VAL CA . 51638 1 535 . 1 . 1 118 118 VAL CB C 13 32.625 . . 1 . . 694 . . 119 VAL CB . 51638 1 536 . 1 . 1 118 118 VAL N N 15 122.689 0.037 . 1 . . 166 . . 119 VAL N . 51638 1 537 . 1 . 1 119 119 ARG H H 1 8.288 0.002 . 1 . . 692 . . 120 ARG H . 51638 1 538 . 1 . 1 119 119 ARG C C 13 176.547 0.006 . 1 . . 384 . . 120 ARG C . 51638 1 539 . 1 . 1 119 119 ARG CA C 13 56.917 0.004 . 1 . . 685 . . 120 ARG CA . 51638 1 540 . 1 . 1 119 119 ARG CB C 13 30.571 0.017 . 1 . . 687 . . 120 ARG CB . 51638 1 541 . 1 . 1 119 119 ARG N N 15 124.668 0.026 . 1 . . 693 . . 120 ARG N . 51638 1 542 . 1 . 1 120 120 ALA H H 1 8.283 0.002 . 1 . . 229 . . 121 ALA H . 51638 1 543 . 1 . 1 120 120 ALA C C 13 178.492 0.011 . 1 . . 285 . . 121 ALA C . 51638 1 544 . 1 . 1 120 120 ALA CA C 13 53.099 0.062 . 1 . . 632 . . 121 ALA CA . 51638 1 545 . 1 . 1 120 120 ALA CB C 13 18.881 0.059 . 1 . . 631 . . 121 ALA CB . 51638 1 546 . 1 . 1 120 120 ALA N N 15 124.513 0.027 . 1 . . 230 . . 121 ALA N . 51638 1 547 . 1 . 1 121 121 LEU H H 1 8.126 0.001 . 1 . . 161 . . 122 LEU H . 51638 1 548 . 1 . 1 121 121 LEU C C 13 177.856 0.006 . 1 . . 388 . . 122 LEU C . 51638 1 549 . 1 . 1 121 121 LEU CA C 13 55.852 0.02 . 1 . . 506 . . 122 LEU CA . 51638 1 550 . 1 . 1 121 121 LEU CB C 13 42.061 0.014 . 1 . . 507 . . 122 LEU CB . 51638 1 551 . 1 . 1 121 121 LEU N N 15 121.074 0.018 . 1 . . 162 . . 122 LEU N . 51638 1 552 . 1 . 1 122 122 ALA H H 1 8.140 0.002 . 1 . . 239 . . 123 ALA H . 51638 1 553 . 1 . 1 122 122 ALA C C 13 178.453 . . 1 . . 683 . . 123 ALA C . 51638 1 554 . 1 . 1 122 122 ALA CA C 13 53.209 . . 1 . . 684 . . 123 ALA CA . 51638 1 555 . 1 . 1 122 122 ALA CB C 13 18.940 . . 1 . . 686 . . 123 ALA CB . 51638 1 556 . 1 . 1 122 122 ALA N N 15 123.622 0.009 . 1 . . 240 . . 123 ALA N . 51638 1 557 . 1 . 1 123 123 GLU H H 1 8.218 0.003 . 1 . . 37 . . 124 GLU H . 51638 1 558 . 1 . 1 123 123 GLU C C 13 176.962 0.003 . 1 . . 637 . . 124 GLU C . 51638 1 559 . 1 . 1 123 123 GLU CA C 13 56.835 0.02 . 1 . . 639 . . 124 GLU CA . 51638 1 560 . 1 . 1 123 123 GLU CB C 13 30.148 0.075 . 1 . . 638 . . 124 GLU CB . 51638 1 561 . 1 . 1 123 123 GLU N N 15 119.362 0.028 . 1 . . 38 . . 124 GLU N . 51638 1 562 . 1 . 1 124 124 LEU H H 1 8.093 0.002 . 1 . . 203 . . 125 LEU H . 51638 1 563 . 1 . 1 124 124 LEU C C 13 177.611 0.005 . 1 . . 635 . . 125 LEU C . 51638 1 564 . 1 . 1 124 124 LEU CA C 13 55.751 0.019 . 1 . . 633 . . 125 LEU CA . 51638 1 565 . 1 . 1 124 124 LEU CB C 13 42.215 0.014 . 1 . . 634 . . 125 LEU CB . 51638 1 566 . 1 . 1 124 124 LEU N N 15 122.515 0.011 . 1 . . 204 . . 125 LEU N . 51638 1 567 . 1 . 1 125 125 HIS H H 1 8.396 0.002 . 1 . . 121 . . 126 HIS H . 51638 1 568 . 1 . 1 125 125 HIS C C 13 175.102 0.01 . 1 . . 275 . . 126 HIS C . 51638 1 569 . 1 . 1 125 125 HIS CA C 13 55.644 . . 1 . . 636 . . 126 HIS CA . 51638 1 570 . 1 . 1 125 125 HIS CB C 13 29.425 0.043 . 1 . . 480 . . 126 HIS CB . 51638 1 571 . 1 . 1 125 125 HIS N N 15 118.727 0.016 . 1 . . 122 . . 126 HIS N . 51638 1 572 . 1 . 1 126 126 SER H H 1 8.287 0.003 . 1 . . 13 . . 127 SER H . 51638 1 573 . 1 . 1 126 126 SER C C 13 174.715 0.006 . 1 . . 355 . . 127 SER C . 51638 1 574 . 1 . 1 126 126 SER CA C 13 58.761 0.001 . 1 . . 625 . . 127 SER CA . 51638 1 575 . 1 . 1 126 126 SER CB C 13 63.636 0.044 . 1 . . 624 . . 127 SER CB . 51638 1 576 . 1 . 1 126 126 SER N N 15 116.629 0.033 . 1 . . 14 . . 127 SER N . 51638 1 577 . 1 . 1 127 127 GLN H H 1 8.523 0.002 . 1 . . 181 . . 128 GLN H . 51638 1 578 . 1 . 1 127 127 GLN C C 13 175.795 0.007 . 1 . . 322 . . 128 GLN C . 51638 1 579 . 1 . 1 127 127 GLN CA C 13 56.105 0.035 . 1 . . 519 . . 128 GLN CA . 51638 1 580 . 1 . 1 127 127 GLN CB C 13 29.313 0.022 . 1 . . 518 . . 128 GLN CB . 51638 1 581 . 1 . 1 127 127 GLN N N 15 121.889 0.013 . 1 . . 182 . . 128 GLN N . 51638 1 582 . 1 . 1 128 128 ASN H H 1 8.475 0.001 . 1 . . 113 . . 129 ASN H . 51638 1 583 . 1 . 1 128 128 ASN C C 13 175.184 0.001 . 1 . . 368 . . 129 ASN C . 51638 1 584 . 1 . 1 128 128 ASN CA C 13 53.370 0.0 . 1 . . 473 . . 129 ASN CA . 51638 1 585 . 1 . 1 128 128 ASN CB C 13 38.854 0.013 . 1 . . 472 . . 129 ASN CB . 51638 1 586 . 1 . 1 128 128 ASN N N 15 119.505 0.01 . 1 . . 114 . . 129 ASN N . 51638 1 587 . 1 . 1 129 129 THR H H 1 8.139 0.003 . 1 . . 199 . . 130 THR H . 51638 1 588 . 1 . 1 129 129 THR C C 13 174.295 0.01 . 1 . . 298 . . 130 THR C . 51638 1 589 . 1 . 1 129 129 THR CA C 13 61.863 0.018 . 1 . . 553 . . 130 THR CA . 51638 1 590 . 1 . 1 129 129 THR CB C 13 69.804 0.025 . 1 . . 552 . . 130 THR CB . 51638 1 591 . 1 . 1 129 129 THR N N 15 114.856 0.025 . 1 . . 200 . . 130 THR N . 51638 1 592 . 1 . 1 130 130 LEU H H 1 8.375 0.005 . 1 . . 63 . . 131 LEU H . 51638 1 593 . 1 . 1 130 130 LEU C C 13 175.191 . . 1 . . 728 . . 131 LEU C . 51638 1 594 . 1 . 1 130 130 LEU CA C 13 53.168 . . 1 . . 727 . . 131 LEU CA . 51638 1 595 . 1 . 1 130 130 LEU CB C 13 41.579 . . 1 . . 726 . . 131 LEU CB . 51638 1 596 . 1 . 1 130 130 LEU N N 15 126.519 0.011 . 1 . . 64 . . 131 LEU N . 51638 1 597 . 1 . 1 131 131 PRO C C 13 176.861 0.005 . 1 . . 352 . . 132 PRO C . 51638 1 598 . 1 . 1 131 131 PRO CA C 13 63.076 0.021 . 1 . . 729 . . 132 PRO CA . 51638 1 599 . 1 . 1 131 131 PRO CB C 13 32.088 0.008 . 1 . . 730 . . 132 PRO CB . 51638 1 600 . 1 . 1 132 132 SER H H 1 8.465 0.001 . 1 . . 175 . . 133 SER H . 51638 1 601 . 1 . 1 132 132 SER C C 13 174.765 0.006 . 1 . . 343 . . 133 SER C . 51638 1 602 . 1 . 1 132 132 SER CA C 13 58.232 0.004 . 1 . . 514 . . 133 SER CA . 51638 1 603 . 1 . 1 132 132 SER CB C 13 63.746 0.008 . 1 . . 515 . . 133 SER CB . 51638 1 604 . 1 . 1 132 132 SER N N 15 116.416 0.013 . 1 . . 176 . . 133 SER N . 51638 1 605 . 1 . 1 133 133 VAL H H 1 8.315 0.001 . 1 . . 157 . . 134 VAL H . 51638 1 606 . 1 . 1 133 133 VAL C C 13 176.492 0.003 . 1 . . 321 . . 134 VAL C . 51638 1 607 . 1 . 1 133 133 VAL CA C 13 62.347 0.017 . 1 . . 503 . . 134 VAL CA . 51638 1 608 . 1 . 1 133 133 VAL CB C 13 32.795 0.007 . 1 . . 502 . . 134 VAL CB . 51638 1 609 . 1 . 1 133 133 VAL N N 15 122.152 0.004 . 1 . . 158 . . 134 VAL N . 51638 1 610 . 1 . 1 134 134 THR H H 1 8.319 0.001 . 1 . . 111 . . 135 THR H . 51638 1 611 . 1 . 1 134 134 THR C C 13 174.545 0.004 . 1 . . 390 . . 135 THR C . 51638 1 612 . 1 . 1 134 134 THR CA C 13 61.891 0.043 . 1 . . 470 . . 135 THR CA . 51638 1 613 . 1 . 1 134 134 THR CB C 13 69.768 0.011 . 1 . . 471 . . 135 THR CB . 51638 1 614 . 1 . 1 134 134 THR N N 15 117.989 0.013 . 1 . . 112 . . 135 THR N . 51638 1 615 . 1 . 1 135 135 SER H H 1 8.370 0.001 . 1 . . 243 . . 136 SER H . 51638 1 616 . 1 . 1 135 135 SER C C 13 174.146 0.004 . 1 . . 304 . . 136 SER C . 51638 1 617 . 1 . 1 135 135 SER CA C 13 58.307 0.01 . 1 . . 554 . . 136 SER CA . 51638 1 618 . 1 . 1 135 135 SER CB C 13 63.846 0.002 . 1 . . 555 . . 136 SER CB . 51638 1 619 . 1 . 1 135 135 SER N N 15 118.631 0.013 . 1 . . 244 . . 136 SER N . 51638 1 620 . 1 . 1 136 136 ALA H H 1 8.383 0.001 . 1 . . 73 . . 137 ALA H . 51638 1 621 . 1 . 1 136 136 ALA C C 13 177.290 0.006 . 1 . . 333 . . 137 ALA C . 51638 1 622 . 1 . 1 136 136 ALA CA C 13 52.410 0.004 . 1 . . 444 . . 137 ALA CA . 51638 1 623 . 1 . 1 136 136 ALA CB C 13 19.204 0.0 . 1 . . 445 . . 137 ALA CB . 51638 1 624 . 1 . 1 136 136 ALA N N 15 126.283 0.011 . 1 . . 74 . . 137 ALA N . 51638 1 625 . 1 . 1 137 137 ALA H H 1 8.282 0.001 . 1 . . 137 . . 138 ALA H . 51638 1 626 . 1 . 1 137 137 ALA C C 13 177.511 0.009 . 1 . . 341 . . 138 ALA C . 51638 1 627 . 1 . 1 137 137 ALA CA C 13 52.331 0.008 . 1 . . 573 . . 138 ALA CA . 51638 1 628 . 1 . 1 137 137 ALA CB C 13 19.142 0.002 . 1 . . 572 . . 138 ALA CB . 51638 1 629 . 1 . 1 137 137 ALA N N 15 123.471 0.007 . 1 . . 138 . . 138 ALA N . 51638 1 630 . 1 . 1 138 138 GLN H H 1 8.364 0.002 . 1 . . 153 . . 139 GLN H . 51638 1 631 . 1 . 1 138 138 GLN C C 13 173.982 . . 1 . . 733 . . 139 GLN C . 51638 1 632 . 1 . 1 138 138 GLN CA C 13 53.504 . . 1 . . 731 . . 139 GLN CA . 51638 1 633 . 1 . 1 138 138 GLN CB C 13 28.912 . . 1 . . 732 . . 139 GLN CB . 51638 1 634 . 1 . 1 138 138 GLN N N 15 121.012 0.031 . 1 . . 154 . . 139 GLN N . 51638 1 635 . 1 . 1 139 139 PRO C C 13 176.934 0.004 . 1 . . 680 . . 140 PRO C . 51638 1 636 . 1 . 1 139 139 PRO CA C 13 63.025 0.006 . 1 . . 678 . . 140 PRO CA . 51638 1 637 . 1 . 1 139 139 PRO CB C 13 32.141 . . 1 . . 679 . . 140 PRO CB . 51638 1 638 . 1 . 1 140 140 VAL H H 1 8.403 0.001 . 1 . . 358 . . 141 VAL H . 51638 1 639 . 1 . 1 140 140 VAL C C 13 176.132 0.006 . 1 . . 398 . . 141 VAL C . 51638 1 640 . 1 . 1 140 140 VAL CA C 13 62.376 0.002 . 1 . . 676 . . 141 VAL CA . 51638 1 641 . 1 . 1 140 140 VAL CB C 13 32.791 0.028 . 1 . . 677 . . 141 VAL CB . 51638 1 642 . 1 . 1 140 140 VAL N N 15 120.786 0.005 . 1 . . 359 . . 141 VAL N . 51638 1 643 . 1 . 1 141 141 ASN H H 1 8.612 0.001 . 1 . . 261 . . 142 ASN H . 51638 1 644 . 1 . 1 141 141 ASN C C 13 175.758 0.004 . 1 . . 301 . . 142 ASN C . 51638 1 645 . 1 . 1 141 141 ASN CA C 13 53.235 0.002 . 1 . . 673 . . 142 ASN CA . 51638 1 646 . 1 . 1 141 141 ASN CB C 13 38.874 0.002 . 1 . . 672 . . 142 ASN CB . 51638 1 647 . 1 . 1 141 141 ASN N N 15 122.365 0.007 . 1 . . 262 . . 142 ASN N . 51638 1 648 . 1 . 1 142 142 GLY H H 1 8.471 0.006 . 1 . . 67 . . 143 GLY H . 51638 1 649 . 1 . 1 142 142 GLY C C 13 173.993 0.004 . 1 . . 338 . . 143 GLY C . 51638 1 650 . 1 . 1 142 142 GLY CA C 13 45.444 0.014 . 1 . . 652 . . 143 GLY CA . 51638 1 651 . 1 . 1 142 142 GLY N N 15 110.072 0.045 . 1 . . 68 . . 143 GLY N . 51638 1 652 . 1 . 1 143 143 ALA H H 1 8.235 0.001 . 1 . . 147 . . 144 ALA H . 51638 1 653 . 1 . 1 143 143 ALA C C 13 178.313 0.003 . 1 . . 319 . . 144 ALA C . 51638 1 654 . 1 . 1 143 143 ALA CA C 13 52.731 0.014 . 1 . . 501 . . 144 ALA CA . 51638 1 655 . 1 . 1 143 143 ALA CB C 13 19.091 0.014 . 1 . . 500 . . 144 ALA CB . 51638 1 656 . 1 . 1 143 143 ALA N N 15 123.636 0.018 . 1 . . 148 . . 144 ALA N . 51638 1 657 . 1 . 1 144 144 GLY H H 1 8.463 0.001 . 1 . . 107 . . 145 GLY H . 51638 1 658 . 1 . 1 144 144 GLY C C 13 174.007 0.002 . 1 . . 344 . . 145 GLY C . 51638 1 659 . 1 . 1 144 144 GLY CA C 13 45.245 0.007 . 1 . . 469 . . 145 GLY CA . 51638 1 660 . 1 . 1 144 144 GLY N N 15 108.142 0.008 . 1 . . 108 . . 145 GLY N . 51638 1 661 . 1 . 1 145 145 MET H H 1 8.148 0.0 . 1 . . 159 . . 146 MET H . 51638 1 662 . 1 . 1 145 145 MET C C 13 176.062 0.008 . 1 . . 378 . . 146 MET C . 51638 1 663 . 1 . 1 145 145 MET CA C 13 55.367 0.01 . 1 . . 504 . . 146 MET CA . 51638 1 664 . 1 . 1 145 145 MET CB C 13 33.056 0.002 . 1 . . 505 . . 146 MET CB . 51638 1 665 . 1 . 1 145 145 MET N N 15 119.936 0.011 . 1 . . 160 . . 146 MET N . 51638 1 666 . 1 . 1 146 146 VAL H H 1 8.264 0.001 . 1 . . 217 . . 147 VAL H . 51638 1 667 . 1 . 1 146 146 VAL C C 13 175.458 0.005 . 1 . . 287 . . 147 VAL C . 51638 1 668 . 1 . 1 146 146 VAL CA C 13 61.970 0.005 . 1 . . 536 . . 147 VAL CA . 51638 1 669 . 1 . 1 146 146 VAL CB C 13 32.875 0.013 . 1 . . 557 . . 147 VAL CB . 51638 1 670 . 1 . 1 146 146 VAL N N 15 122.484 0.015 . 1 . . 218 . . 147 VAL N . 51638 1 671 . 1 . 1 147 147 ALA H H 1 8.524 0.001 . 1 . . 41 . . 148 ALA H . 51638 1 672 . 1 . 1 147 147 ALA C C 13 175.242 . . 1 . . 734 . . 148 ALA C . 51638 1 673 . 1 . 1 147 147 ALA CA C 13 50.450 . . 1 . . 735 . . 148 ALA CA . 51638 1 674 . 1 . 1 147 147 ALA CB C 13 18.085 . . 1 . . 736 . . 148 ALA CB . 51638 1 675 . 1 . 1 147 147 ALA N N 15 130.228 0.008 . 1 . . 42 . . 148 ALA N . 51638 1 676 . 1 . 1 148 148 PRO C C 13 176.523 0.002 . 1 . . 280 . . 149 PRO C . 51638 1 677 . 1 . 1 148 148 PRO CA C 13 62.783 0.009 . 1 . . 585 . . 149 PRO CA . 51638 1 678 . 1 . 1 148 148 PRO CB C 13 32.128 0.01 . 1 . . 584 . . 149 PRO CB . 51638 1 679 . 1 . 1 149 149 ALA H H 1 8.455 0.0 . 1 . . 25 . . 150 ALA H . 51638 1 680 . 1 . 1 149 149 ALA C C 13 177.813 0.004 . 1 . . 274 . . 150 ALA C . 51638 1 681 . 1 . 1 149 149 ALA CA C 13 52.363 0.007 . 1 . . 414 . . 150 ALA CA . 51638 1 682 . 1 . 1 149 149 ALA CB C 13 19.137 0.0 . 1 . . 415 . . 150 ALA CB . 51638 1 683 . 1 . 1 149 149 ALA N N 15 124.811 0.005 . 1 . . 26 . . 150 ALA N . 51638 1 684 . 1 . 1 150 150 VAL H H 1 8.228 0.001 . 1 . . 11 . . 151 VAL H . 51638 1 685 . 1 . 1 150 150 VAL C C 13 175.843 0.002 . 1 . . 291 . . 151 VAL C . 51638 1 686 . 1 . 1 150 150 VAL CA C 13 61.956 0.008 . 1 . . 586 . . 151 VAL CA . 51638 1 687 . 1 . 1 150 150 VAL CB C 13 32.968 0.001 . 1 . . 587 . . 151 VAL CB . 51638 1 688 . 1 . 1 150 150 VAL N N 15 120.161 0.007 . 1 . . 12 . . 151 VAL N . 51638 1 689 . 1 . 1 151 151 ALA H H 1 8.492 0.0 . 1 . . 49 . . 152 ALA H . 51638 1 690 . 1 . 1 151 151 ALA C C 13 177.612 0.002 . 1 . . 317 . . 152 ALA C . 51638 1 691 . 1 . 1 151 151 ALA CA C 13 52.394 0.015 . 1 . . 426 . . 152 ALA CA . 51638 1 692 . 1 . 1 151 151 ALA CB C 13 19.262 0.0 . 1 . . 425 . . 152 ALA CB . 51638 1 693 . 1 . 1 151 151 ALA N N 15 128.495 0.004 . 1 . . 50 . . 152 ALA N . 51638 1 694 . 1 . 1 152 152 SER H H 1 8.405 0.0 . 1 . . 101 . . 153 SER H . 51638 1 695 . 1 . 1 152 152 SER C C 13 174.398 0.006 . 1 . . 283 . . 153 SER C . 51638 1 696 . 1 . 1 152 152 SER CA C 13 58.188 0.009 . 1 . . 465 . . 153 SER CA . 51638 1 697 . 1 . 1 152 152 SER CB C 13 63.815 0.0 . 1 . . 466 . . 153 SER CB . 51638 1 698 . 1 . 1 152 152 SER N N 15 116.149 0.013 . 1 . . 102 . . 153 SER N . 51638 1 699 . 1 . 1 153 153 VAL H H 1 8.270 0.0 . 1 . . 33 . . 154 VAL H . 51638 1 700 . 1 . 1 153 153 VAL C C 13 174.982 0.007 . 1 . . 400 . . 154 VAL C . 51638 1 701 . 1 . 1 153 153 VAL CA C 13 62.078 0.017 . 1 . . 418 . . 154 VAL CA . 51638 1 702 . 1 . 1 153 153 VAL CB C 13 32.902 0.014 . 1 . . 419 . . 154 VAL CB . 51638 1 703 . 1 . 1 153 153 VAL N N 15 122.229 0.004 . 1 . . 34 . . 154 VAL N . 51638 1 704 . 1 . 1 154 154 ALA H H 1 8.069 0.0 . 1 . . 265 . . 155 ALA H . 51638 1 705 . 1 . 1 154 154 ALA C C 13 175.500 . . 1 . . 739 . . 155 ALA C . 51638 1 706 . 1 . 1 154 154 ALA CA C 13 53.892 . . 1 . . 738 . . 155 ALA CA . 51638 1 707 . 1 . 1 154 154 ALA CB C 13 20.050 . . 1 . . 737 . . 155 ALA CB . 51638 1 708 . 1 . 1 154 154 ALA N N 15 133.361 0.004 . 1 . . 266 . . 155 ALA N . 51638 1 stop_ save_