data_27400 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27400 _Entry.Title ; Assignment of 1H, 13C and 15N resonances of the extrecclular domain of human Death Receptor DR5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-09 _Entry.Accession_date 2018-02-09 _Entry.Last_release_date 2018-02-09 _Entry.Original_release_date 2018-02-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Benoit Odaert . B. . . 27400 2 Antoine Baudin . A. . . 27400 3 Melanie Berbon . M. . . 27400 4 Cameron Mackereth . CD . . 27400 5 Gilles Guichard . G. . . 27400 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . CNRS . 27400 2 . 'Universit de Bordeaux' . 27400 3 . 'Institut Polytechnique de Bordeaux' . 27400 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27400 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 447 27400 '15N chemical shifts' 114 27400 '1H chemical shifts' 653 27400 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 . . 2018-09-25 2018-02-09 update BMRB 'update entry citation' 27400 1 . . 2018-06-20 2018-02-09 original author 'original release' 27400 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27400 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29869749 _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N NMR resonance assignments and secondary structure determination of the extra-cellular domain from the human proapoptotic TRAIL-R2 death receptor 5 (DR5-ECD) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 309 _Citation.Page_last 314 _Citation.Year 2018 _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 Antoine Baudin A. . . . 27400 1 2 Anne Guichard A. . . . 27400 1 3 Gavin Collie G. W. . . 27400 1 4 Sabrina Rousseau S. . . . 27400 1 5 Stephane Chaignepain S. . . . 27400 1 6 Agnes Hocquellet A. . . . 27400 1 7 Melanie Berbon M. . . . 27400 1 8 Antoine Loquet A. . . . 27400 1 9 Cameron Mackereth C. . . . 27400 1 10 Gilles Guichard G. . . . 27400 1 11 Benoit Odaert B. . . . 27400 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Apoptosis 27400 1 Cancer 27400 1 'Death Receptor' 27400 1 TRAIL 27400 1 'peptidomimetic ligand' 27400 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27400 _Assembly.ID 1 _Assembly.Name 'DR5 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14998 _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 'DR5 monomer' 1 $DR5 A . yes native no no . . . 27400 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 33 33 SG . 1 . 1 CYS 46 46 SG . . . . . . . . . . . . 27400 1 2 disulfide single . 1 . 1 CYS 49 49 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . . . 27400 1 3 disulfide single . 1 . 1 CYS 68 68 SG . 1 . 1 CYS 81 81 SG . . . . . . . . . . . . 27400 1 4 disulfide single . 1 . 1 CYS 71 71 SG . 1 . 1 CYS 89 89 SG . . . . . . . . . . . . 27400 1 5 disulfide single . 1 . 1 CYS 91 91 SG . 1 . 1 CYS 105 105 SG . . . . . . . . . . . . 27400 1 6 disulfide single . 1 . 1 CYS 108 108 SG . 1 . 1 CYS 122 122 SG . . . . . . . . . . . . 27400 1 7 disulfide single . 1 . 1 CYS 112 112 SG . 1 . 1 CYS 130 130 SG . . . . . . . . . . . . 27400 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DR5 _Entity.Sf_category entity _Entity.Sf_framecode DR5 _Entity.Entry_ID 27400 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DR5 _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 ; GAMESALITQQDLAPQQRAA PQQKRSSPSEGLCPPGHHIS EDGRDCISCKYGQDYSTHWN DLLFCLRCTRCDSGEVELSP CTTTRNTVCQCEEGTFREED SPEMCRKCRTGCPRGMVKVG DCTPWSDIECVHKES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residus 1-4 represent a non-native cleavage site for the TeV protease' _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Death receptor 5' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14998 _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 GB AAC01565.1 . 'death receptor 5 [Homo sapiens]' . . . . . . . . . . . . . . 27400 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'TRAIL Receptor (TRAILR2)' 27400 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 . 27400 1 2 . ALA . 27400 1 3 . MET . 27400 1 4 . GLU . 27400 1 5 . SER . 27400 1 6 . ALA . 27400 1 7 . LEU . 27400 1 8 . ILE . 27400 1 9 . THR . 27400 1 10 . GLN . 27400 1 11 . GLN . 27400 1 12 . ASP . 27400 1 13 . LEU . 27400 1 14 . ALA . 27400 1 15 . PRO . 27400 1 16 . GLN . 27400 1 17 . GLN . 27400 1 18 . ARG . 27400 1 19 . ALA . 27400 1 20 . ALA . 27400 1 21 . PRO . 27400 1 22 . GLN . 27400 1 23 . GLN . 27400 1 24 . LYS . 27400 1 25 . ARG . 27400 1 26 . SER . 27400 1 27 . SER . 27400 1 28 . PRO . 27400 1 29 . SER . 27400 1 30 . GLU . 27400 1 31 . GLY . 27400 1 32 . LEU . 27400 1 33 . CYS . 27400 1 34 . PRO . 27400 1 35 . PRO . 27400 1 36 . GLY . 27400 1 37 . HIS . 27400 1 38 . HIS . 27400 1 39 . ILE . 27400 1 40 . SER . 27400 1 41 . GLU . 27400 1 42 . ASP . 27400 1 43 . GLY . 27400 1 44 . ARG . 27400 1 45 . ASP . 27400 1 46 . CYS . 27400 1 47 . ILE . 27400 1 48 . SER . 27400 1 49 . CYS . 27400 1 50 . LYS . 27400 1 51 . TYR . 27400 1 52 . GLY . 27400 1 53 . GLN . 27400 1 54 . ASP . 27400 1 55 . TYR . 27400 1 56 . SER . 27400 1 57 . THR . 27400 1 58 . HIS . 27400 1 59 . TRP . 27400 1 60 . ASN . 27400 1 61 . ASP . 27400 1 62 . LEU . 27400 1 63 . LEU . 27400 1 64 . PHE . 27400 1 65 . CYS . 27400 1 66 . LEU . 27400 1 67 . ARG . 27400 1 68 . CYS . 27400 1 69 . THR . 27400 1 70 . ARG . 27400 1 71 . CYS . 27400 1 72 . ASP . 27400 1 73 . SER . 27400 1 74 . GLY . 27400 1 75 . GLU . 27400 1 76 . VAL . 27400 1 77 . GLU . 27400 1 78 . LEU . 27400 1 79 . SER . 27400 1 80 . PRO . 27400 1 81 . CYS . 27400 1 82 . THR . 27400 1 83 . THR . 27400 1 84 . THR . 27400 1 85 . ARG . 27400 1 86 . ASN . 27400 1 87 . THR . 27400 1 88 . VAL . 27400 1 89 . CYS . 27400 1 90 . GLN . 27400 1 91 . CYS . 27400 1 92 . GLU . 27400 1 93 . GLU . 27400 1 94 . GLY . 27400 1 95 . THR . 27400 1 96 . PHE . 27400 1 97 . ARG . 27400 1 98 . GLU . 27400 1 99 . GLU . 27400 1 100 . ASP . 27400 1 101 . SER . 27400 1 102 . PRO . 27400 1 103 . GLU . 27400 1 104 . MET . 27400 1 105 . CYS . 27400 1 106 . ARG . 27400 1 107 . LYS . 27400 1 108 . CYS . 27400 1 109 . ARG . 27400 1 110 . THR . 27400 1 111 . GLY . 27400 1 112 . CYS . 27400 1 113 . PRO . 27400 1 114 . ARG . 27400 1 115 . GLY . 27400 1 116 . MET . 27400 1 117 . VAL . 27400 1 118 . LYS . 27400 1 119 . VAL . 27400 1 120 . GLY . 27400 1 121 . ASP . 27400 1 122 . CYS . 27400 1 123 . THR . 27400 1 124 . PRO . 27400 1 125 . TRP . 27400 1 126 . SER . 27400 1 127 . ASP . 27400 1 128 . ILE . 27400 1 129 . GLU . 27400 1 130 . CYS . 27400 1 131 . VAL . 27400 1 132 . HIS . 27400 1 133 . LYS . 27400 1 134 . GLU . 27400 1 135 . SER . 27400 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 27400 1 . ALA 2 2 27400 1 . MET 3 3 27400 1 . GLU 4 4 27400 1 . SER 5 5 27400 1 . ALA 6 6 27400 1 . LEU 7 7 27400 1 . ILE 8 8 27400 1 . THR 9 9 27400 1 . GLN 10 10 27400 1 . GLN 11 11 27400 1 . ASP 12 12 27400 1 . LEU 13 13 27400 1 . ALA 14 14 27400 1 . PRO 15 15 27400 1 . GLN 16 16 27400 1 . GLN 17 17 27400 1 . ARG 18 18 27400 1 . ALA 19 19 27400 1 . ALA 20 20 27400 1 . PRO 21 21 27400 1 . GLN 22 22 27400 1 . GLN 23 23 27400 1 . LYS 24 24 27400 1 . ARG 25 25 27400 1 . SER 26 26 27400 1 . SER 27 27 27400 1 . PRO 28 28 27400 1 . SER 29 29 27400 1 . GLU 30 30 27400 1 . GLY 31 31 27400 1 . LEU 32 32 27400 1 . CYS 33 33 27400 1 . PRO 34 34 27400 1 . PRO 35 35 27400 1 . GLY 36 36 27400 1 . HIS 37 37 27400 1 . HIS 38 38 27400 1 . ILE 39 39 27400 1 . SER 40 40 27400 1 . GLU 41 41 27400 1 . ASP 42 42 27400 1 . GLY 43 43 27400 1 . ARG 44 44 27400 1 . ASP 45 45 27400 1 . CYS 46 46 27400 1 . ILE 47 47 27400 1 . SER 48 48 27400 1 . CYS 49 49 27400 1 . LYS 50 50 27400 1 . TYR 51 51 27400 1 . GLY 52 52 27400 1 . GLN 53 53 27400 1 . ASP 54 54 27400 1 . TYR 55 55 27400 1 . SER 56 56 27400 1 . THR 57 57 27400 1 . HIS 58 58 27400 1 . TRP 59 59 27400 1 . ASN 60 60 27400 1 . ASP 61 61 27400 1 . LEU 62 62 27400 1 . LEU 63 63 27400 1 . PHE 64 64 27400 1 . CYS 65 65 27400 1 . LEU 66 66 27400 1 . ARG 67 67 27400 1 . CYS 68 68 27400 1 . THR 69 69 27400 1 . ARG 70 70 27400 1 . CYS 71 71 27400 1 . ASP 72 72 27400 1 . SER 73 73 27400 1 . GLY 74 74 27400 1 . GLU 75 75 27400 1 . VAL 76 76 27400 1 . GLU 77 77 27400 1 . LEU 78 78 27400 1 . SER 79 79 27400 1 . PRO 80 80 27400 1 . CYS 81 81 27400 1 . THR 82 82 27400 1 . THR 83 83 27400 1 . THR 84 84 27400 1 . ARG 85 85 27400 1 . ASN 86 86 27400 1 . THR 87 87 27400 1 . VAL 88 88 27400 1 . CYS 89 89 27400 1 . GLN 90 90 27400 1 . CYS 91 91 27400 1 . GLU 92 92 27400 1 . GLU 93 93 27400 1 . GLY 94 94 27400 1 . THR 95 95 27400 1 . PHE 96 96 27400 1 . ARG 97 97 27400 1 . GLU 98 98 27400 1 . GLU 99 99 27400 1 . ASP 100 100 27400 1 . SER 101 101 27400 1 . PRO 102 102 27400 1 . GLU 103 103 27400 1 . MET 104 104 27400 1 . CYS 105 105 27400 1 . ARG 106 106 27400 1 . LYS 107 107 27400 1 . CYS 108 108 27400 1 . ARG 109 109 27400 1 . THR 110 110 27400 1 . GLY 111 111 27400 1 . CYS 112 112 27400 1 . PRO 113 113 27400 1 . ARG 114 114 27400 1 . GLY 115 115 27400 1 . MET 116 116 27400 1 . VAL 117 117 27400 1 . LYS 118 118 27400 1 . VAL 119 119 27400 1 . GLY 120 120 27400 1 . ASP 121 121 27400 1 . CYS 122 122 27400 1 . THR 123 123 27400 1 . PRO 124 124 27400 1 . TRP 125 125 27400 1 . SER 126 126 27400 1 . ASP 127 127 27400 1 . ILE 128 128 27400 1 . GLU 129 129 27400 1 . CYS 130 130 27400 1 . VAL 131 131 27400 1 . HIS 132 132 27400 1 . LYS 133 133 27400 1 . GLU 134 134 27400 1 . SER 135 135 27400 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27400 _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 $DR5 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27400 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27400 _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 $DR5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pETNus_1a . . 7559bp 27400 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27400 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Na2HPO4 20 mM pH 6.3 NaCl 50 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DR5 '[U-13C; U-15N]' . . 1 $DR5 . . 300 . . uM . . . . 27400 1 2 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 27400 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27400 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27400 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Na2HPO4 20 mM pH 6.3 NaCl 50 mM For titration studies with peptidic ligands ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DR5 [U-15N] . . 1 $DR5 . . 90 . . uM . . . . 27400 2 2 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 27400 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27400 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27400 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Na2HPO4 20 mM pH 6.3 NaCl 50 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 DR5 '[U-13C; U-15N]' . . 1 $DR5 . . 300 . . uM . . . . 27400 3 2 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 27400 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27400 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 27400 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Na2HPO4 20 mM pH 6.3 NaCl 50 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 DR5 'natural abundance' . . 1 $DR5 . . 300 . . uM . . . . 27400 4 2 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 27400 4 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27400 4 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 27400 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Na2HPO4 20 mM NaCl 50 mM' 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' 70 . mM 27400 1 pH 6.3 . pH 27400 1 pressure 1 . atm 27400 1 temperature 303 . K 27400 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27400 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27400 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27400 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27400 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance probe or cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27400 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27400 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'triple resonance probe or cryoprobe' . . 27400 1 2 spectrometer_2 Bruker Avance . 700 'TXI probe' . . 27400 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27400 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 3 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 6 '2D DQF-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 9 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 10 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 12 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 14 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 15 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 17 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 18 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 19 '2D CBHD' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 20 '2D CBHE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 21 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 22 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27400 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27400 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details TMS 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 TMS 'methyl protons' . . . . ppm 0 internal direct 0.251449530 . . . . . 27400 1 H 1 TMS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27400 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 external direct 0.101329118 . . . . . 27400 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27400 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D 1H-1H TOCSY' . . . 27400 1 6 '2D DQF-COSY' . . . 27400 1 7 '2D 1H-1H NOESY' . . . 27400 1 8 '3D HNCO' . . . 27400 1 9 '3D HCACO' . . . 27400 1 10 '3D HNCA' . . . 27400 1 11 '3D HN(CO)CA' . . . 27400 1 12 '3D HNCACB' . . . 27400 1 13 '3D CBCA(CO)NH' . . . 27400 1 14 '3D HNHA' . . . 27400 1 16 '3D 1H-15N NOESY' . . . 27400 1 19 '2D CBHD' . . . 27400 1 20 '2D CBHE' . . . 27400 1 21 '3D HCCH-COSY' . . . 27400 1 22 '3D HCCH-TOCSY' . . . 27400 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.363 . . 1 . . . . . 2 ALA HA . 27400 1 2 . 1 1 2 2 ALA HB1 H 1 1.418 . . 1 . . . . . 2 ALA MB . 27400 1 3 . 1 1 2 2 ALA HB2 H 1 1.418 . . 1 . . . . . 2 ALA MB . 27400 1 4 . 1 1 2 2 ALA HB3 H 1 1.418 . . 1 . . . . . 2 ALA MB . 27400 1 5 . 1 1 2 2 ALA C C 13 178.074 0.002 . 1 . . . . . 2 ALA C . 27400 1 6 . 1 1 2 2 ALA CA C 13 52.985 0.036 . 1 . . . . . 2 ALA CA . 27400 1 7 . 1 1 2 2 ALA CB C 13 19.397 0.026 . 1 . . . . . 2 ALA CB . 27400 1 8 . 1 1 3 3 MET H H 1 8.530 0.002 . 1 . . . . . 3 MET H . 27400 1 9 . 1 1 3 3 MET HA H 1 4.428 0.019 . 1 . . . . . 3 MET HA . 27400 1 10 . 1 1 3 3 MET HB2 H 1 2.064 0.011 . . . . . . . 3 MET HB2 . 27400 1 11 . 1 1 3 3 MET HB3 H 1 2.011 0.000 . . . . . . . 3 MET HB3 . 27400 1 12 . 1 1 3 3 MET HG2 H 1 2.595 0.000 . . . . . . . 3 MET HG2 . 27400 1 13 . 1 1 3 3 MET HG3 H 1 2.382 0.000 . . . . . . . 3 MET HG3 . 27400 1 14 . 1 1 3 3 MET HE1 H 1 1.771 0.000 . 1 . . . . . 3 MET ME . 27400 1 15 . 1 1 3 3 MET HE2 H 1 1.771 0.000 . 1 . . . . . 3 MET ME . 27400 1 16 . 1 1 3 3 MET HE3 H 1 1.771 0.000 . 1 . . . . . 3 MET ME . 27400 1 17 . 1 1 3 3 MET C C 13 176.550 0.008 . 1 . . . . . 3 MET C . 27400 1 18 . 1 1 3 3 MET CA C 13 55.876 0.092 . 1 . . . . . 3 MET CA . 27400 1 19 . 1 1 3 3 MET CB C 13 32.722 0.105 . 1 . . . . . 3 MET CB . 27400 1 20 . 1 1 3 3 MET CG C 13 33.713 0.000 . 1 . . . . . 3 MET CG . 27400 1 21 . 1 1 3 3 MET N N 15 119.331 0.033 . 1 . . . . . 3 MET N . 27400 1 22 . 1 1 4 4 GLU H H 1 8.452 0.002 . 1 . . . . . 4 GLU H . 27400 1 23 . 1 1 4 4 GLU HA H 1 4.284 0.005 . 1 . . . . . 4 GLU HA . 27400 1 24 . 1 1 4 4 GLU HB2 H 1 2.039 0.002 . . . . . . . 4 GLU HB2 . 27400 1 25 . 1 1 4 4 GLU C C 13 176.853 0.005 . 1 . . . . . 4 GLU C . 27400 1 26 . 1 1 4 4 GLU CA C 13 57.287 0.055 . 1 . . . . . 4 GLU CA . 27400 1 27 . 1 1 4 4 GLU CB C 13 30.068 0.017 . 1 . . . . . 4 GLU CB . 27400 1 28 . 1 1 4 4 GLU CG C 13 36.375 0.000 . 1 . . . . . 4 GLU CG . 27400 1 29 . 1 1 4 4 GLU N N 15 122.040 0.030 . 1 . . . . . 4 GLU N . 27400 1 30 . 1 1 5 5 SER H H 1 8.283 0.003 . 1 . . . . . 5 SER H . 27400 1 31 . 1 1 5 5 SER HA H 1 4.422 0.011 . 1 . . . . . 5 SER HA . 27400 1 32 . 1 1 5 5 SER HB2 H 1 3.894 0.009 . . . . . . . 5 SER HB2 . 27400 1 33 . 1 1 5 5 SER HB3 H 1 3.882 0.000 . . . . . . . 5 SER HB3 . 27400 1 34 . 1 1 5 5 SER C C 13 174.465 0.003 . 1 . . . . . 5 SER C . 27400 1 35 . 1 1 5 5 SER CA C 13 58.694 0.045 . 1 . . . . . 5 SER CA . 27400 1 36 . 1 1 5 5 SER CB C 13 63.804 0.016 . 1 . . . . . 5 SER CB . 27400 1 37 . 1 1 5 5 SER N N 15 116.450 0.089 . 1 . . . . . 5 SER N . 27400 1 38 . 1 1 6 6 ALA H H 1 8.256 0.002 . 1 . . . . . 6 ALA H . 27400 1 39 . 1 1 6 6 ALA HA H 1 4.336 0.009 . 1 . . . . . 6 ALA HA . 27400 1 40 . 1 1 6 6 ALA HB1 H 1 1.412 0.008 . 1 . . . . . 6 ALA MB . 27400 1 41 . 1 1 6 6 ALA HB2 H 1 1.412 0.008 . 1 . . . . . 6 ALA MB . 27400 1 42 . 1 1 6 6 ALA HB3 H 1 1.412 0.008 . 1 . . . . . 6 ALA MB . 27400 1 43 . 1 1 6 6 ALA C C 13 177.639 0.007 . 1 . . . . . 6 ALA C . 27400 1 44 . 1 1 6 6 ALA CA C 13 52.782 0.009 . 1 . . . . . 6 ALA CA . 27400 1 45 . 1 1 6 6 ALA CB C 13 19.285 0.070 . 1 . . . . . 6 ALA CB . 27400 1 46 . 1 1 6 6 ALA N N 15 125.608 0.079 . 1 . . . . . 6 ALA N . 27400 1 47 . 1 1 7 7 LEU H H 1 8.047 0.002 . 1 . . . . . 7 LEU H . 27400 1 48 . 1 1 7 7 LEU HA H 1 4.333 0.007 . 1 . . . . . 7 LEU HA . 27400 1 49 . 1 1 7 7 LEU HB2 H 1 1.607 0.013 . . . . . . . 7 LEU HB2 . 27400 1 50 . 1 1 7 7 LEU HB3 H 1 1.558 0.000 . . . . . . . 7 LEU HB3 . 27400 1 51 . 1 1 7 7 LEU HG H 1 1.449 0.026 . 1 . . . . . 7 LEU HG . 27400 1 52 . 1 1 7 7 LEU C C 13 177.435 0.003 . 1 . . . . . 7 LEU C . 27400 1 53 . 1 1 7 7 LEU CA C 13 55.466 0.073 . 1 . . . . . 7 LEU CA . 27400 1 54 . 1 1 7 7 LEU CB C 13 42.292 0.034 . 1 . . . . . 7 LEU CB . 27400 1 55 . 1 1 7 7 LEU CG C 13 26.951 0.000 . 1 . . . . . 7 LEU CG . 27400 1 56 . 1 1 7 7 LEU CD1 C 13 24.865 0.000 . . . . . . . 7 LEU CD1 . 27400 1 57 . 1 1 7 7 LEU CD2 C 13 24.177 0.000 . . . . . . . 7 LEU CD2 . 27400 1 58 . 1 1 7 7 LEU N N 15 120.527 0.030 . 1 . . . . . 7 LEU N . 27400 1 59 . 1 1 8 8 ILE H H 1 8.011 0.003 . 1 . . . . . 8 ILE H . 27400 1 60 . 1 1 8 8 ILE HA H 1 4.226 0.018 . 1 . . . . . 8 ILE HA . 27400 1 61 . 1 1 8 8 ILE HB H 1 1.922 0.014 . 1 . . . . . 8 ILE HB . 27400 1 62 . 1 1 8 8 ILE HG12 H 1 1.193 0.017 . . . . . . . 8 ILE HG12 . 27400 1 63 . 1 1 8 8 ILE HG13 H 1 1.251 0.016 . . . . . . . 8 ILE HG13 . 27400 1 64 . 1 1 8 8 ILE HG21 H 1 0.877 0.004 . 1 . . . . . 8 ILE MG . 27400 1 65 . 1 1 8 8 ILE HG22 H 1 0.877 0.004 . 1 . . . . . 8 ILE MG . 27400 1 66 . 1 1 8 8 ILE HG23 H 1 0.877 0.004 . 1 . . . . . 8 ILE MG . 27400 1 67 . 1 1 8 8 ILE HD11 H 1 0.894 0.023 . 1 . . . . . 8 ILE MD . 27400 1 68 . 1 1 8 8 ILE HD12 H 1 0.894 0.023 . 1 . . . . . 8 ILE MD . 27400 1 69 . 1 1 8 8 ILE HD13 H 1 0.894 0.023 . 1 . . . . . 8 ILE MD . 27400 1 70 . 1 1 8 8 ILE C C 13 176.527 0.000 . 1 . . . . . 8 ILE C . 27400 1 71 . 1 1 8 8 ILE CA C 13 61.301 0.021 . 1 . . . . . 8 ILE CA . 27400 1 72 . 1 1 8 8 ILE CB C 13 38.627 0.003 . 1 . . . . . 8 ILE CB . 27400 1 73 . 1 1 8 8 ILE CG1 C 13 27.273 0.123 . 1 . . . . . 8 ILE CG1 . 27400 1 74 . 1 1 8 8 ILE CG2 C 13 17.547 0.029 . 1 . . . . . 8 ILE CG2 . 27400 1 75 . 1 1 8 8 ILE CD1 C 13 12.842 0.076 . 1 . . . . . 8 ILE CD1 . 27400 1 76 . 1 1 8 8 ILE N N 15 121.651 0.113 . 1 . . . . . 8 ILE N . 27400 1 77 . 1 1 9 9 THR H H 1 8.187 0.008 . 1 . . . . . 9 THR H . 27400 1 78 . 1 1 9 9 THR HA H 1 4.365 0.018 . 1 . . . . . 9 THR HA . 27400 1 79 . 1 1 9 9 THR C C 13 174.608 0.000 . 1 . . . . . 9 THR C . 27400 1 80 . 1 1 9 9 THR CA C 13 61.830 0.078 . 1 . . . . . 9 THR CA . 27400 1 81 . 1 1 9 9 THR CB C 13 69.906 0.081 . 1 . . . . . 9 THR CB . 27400 1 82 . 1 1 9 9 THR CG2 C 13 21.449 0.000 . 1 . . . . . 9 THR CG2 . 27400 1 83 . 1 1 9 9 THR N N 15 117.691 0.032 . 1 . . . . . 9 THR N . 27400 1 84 . 1 1 10 10 GLN H H 1 8.363 0.017 . 1 . . . . . 10 GLN H . 27400 1 85 . 1 1 10 10 GLN HA H 1 4.286 0.000 . 1 . . . . . 10 GLN HA . 27400 1 86 . 1 1 10 10 GLN C C 13 176.032 0.000 . 1 . . . . . 10 GLN C . 27400 1 87 . 1 1 10 10 GLN CA C 13 56.203 0.025 . 1 . . . . . 10 GLN CA . 27400 1 88 . 1 1 10 10 GLN CB C 13 29.353 0.000 . 1 . . . . . 10 GLN CB . 27400 1 89 . 1 1 10 10 GLN N N 15 122.426 0.043 . 1 . . . . . 10 GLN N . 27400 1 90 . 1 1 11 11 GLN HA H 1 4.281 0.000 . 1 . . . . . 11 GLN HA . 27400 1 91 . 1 1 11 11 GLN C C 13 175.674 0.000 . 1 . . . . . 11 GLN C . 27400 1 92 . 1 1 11 11 GLN CA C 13 56.289 0.000 . 1 . . . . . 11 GLN CA . 27400 1 93 . 1 1 11 11 GLN CB C 13 29.562 0.000 . 1 . . . . . 11 GLN CB . 27400 1 94 . 1 1 12 12 ASP H H 1 8.352 0.005 . 1 . . . . . 12 ASP H . 27400 1 95 . 1 1 12 12 ASP HA H 1 4.597 0.017 . 1 . . . . . 12 ASP HA . 27400 1 96 . 1 1 12 12 ASP HB2 H 1 2.652 0.016 . . . . . . . 12 ASP HB2 . 27400 1 97 . 1 1 12 12 ASP C C 13 176.037 0.016 . 1 . . . . . 12 ASP C . 27400 1 98 . 1 1 12 12 ASP CA C 13 54.457 0.084 . 1 . . . . . 12 ASP CA . 27400 1 99 . 1 1 12 12 ASP CB C 13 41.106 0.088 . 1 . . . . . 12 ASP CB . 27400 1 100 . 1 1 12 12 ASP N N 15 121.193 0.046 . 1 . . . . . 12 ASP N . 27400 1 101 . 1 1 13 13 LEU H H 1 8.043 0.004 . 1 . . . . . 13 LEU H . 27400 1 102 . 1 1 13 13 LEU HA H 1 4.341 0.008 . 1 . . . . . 13 LEU HA . 27400 1 103 . 1 1 13 13 LEU HB2 H 1 1.610 0.007 . . . . . . . 13 LEU HB2 . 27400 1 104 . 1 1 13 13 LEU HB3 H 1 1.601 0.000 . . . . . . . 13 LEU HB3 . 27400 1 105 . 1 1 13 13 LEU HG H 1 1.215 . . 1 . . . . . 13 LEU HG . 27400 1 106 . 1 1 13 13 LEU C C 13 176.891 0.004 . 1 . . . . . 13 LEU C . 27400 1 107 . 1 1 13 13 LEU CA C 13 54.881 0.054 . 1 . . . . . 13 LEU CA . 27400 1 108 . 1 1 13 13 LEU CB C 13 42.509 0.070 . 1 . . . . . 13 LEU CB . 27400 1 109 . 1 1 13 13 LEU CD1 C 13 24.970 0.013 . . . . . . . 13 LEU CD1 . 27400 1 110 . 1 1 13 13 LEU N N 15 122.169 0.027 . 1 . . . . . 13 LEU N . 27400 1 111 . 1 1 14 14 ALA H H 1 8.210 0.003 . 1 . . . . . 14 ALA H . 27400 1 112 . 1 1 14 14 ALA HA H 1 4.567 0.004 . 1 . . . . . 14 ALA HA . 27400 1 113 . 1 1 14 14 ALA HB1 H 1 1.377 0.003 . 1 . . . . . 14 ALA MB . 27400 1 114 . 1 1 14 14 ALA HB2 H 1 1.377 0.003 . 1 . . . . . 14 ALA MB . 27400 1 115 . 1 1 14 14 ALA HB3 H 1 1.377 0.003 . 1 . . . . . 14 ALA MB . 27400 1 116 . 1 1 14 14 ALA C C 13 175.646 0.000 . 1 . . . . . 14 ALA C . 27400 1 117 . 1 1 14 14 ALA CA C 13 50.945 0.007 . 1 . . . . . 14 ALA CA . 27400 1 118 . 1 1 14 14 ALA CB C 13 18.054 0.007 . 1 . . . . . 14 ALA CB . 27400 1 119 . 1 1 14 14 ALA N N 15 125.762 0.029 . 1 . . . . . 14 ALA N . 27400 1 120 . 1 1 15 15 PRO HA H 1 4.389 0.005 . 1 . . . . . 15 PRO HA . 27400 1 121 . 1 1 15 15 PRO HB2 H 1 2.307 0.000 . . . . . . . 15 PRO HB2 . 27400 1 122 . 1 1 15 15 PRO HB3 H 1 1.913 0.003 . . . . . . . 15 PRO HB3 . 27400 1 123 . 1 1 15 15 PRO HG2 H 1 1.944 0.000 . . . . . . . 15 PRO HG2 . 27400 1 124 . 1 1 15 15 PRO HG3 H 1 1.983 0.000 . . . . . . . 15 PRO HG3 . 27400 1 125 . 1 1 15 15 PRO HD2 H 1 3.631 0.010 . . . . . . . 15 PRO HD2 . 27400 1 126 . 1 1 15 15 PRO HD3 H 1 3.643 0.034 . . . . . . . 15 PRO HD3 . 27400 1 127 . 1 1 15 15 PRO C C 13 177.420 0.027 . 1 . . . . . 15 PRO C . 27400 1 128 . 1 1 15 15 PRO CA C 13 63.561 0.038 . 1 . . . . . 15 PRO CA . 27400 1 129 . 1 1 15 15 PRO CB C 13 32.004 0.034 . 1 . . . . . 15 PRO CB . 27400 1 130 . 1 1 15 15 PRO CG C 13 27.467 0.000 . 1 . . . . . 15 PRO CG . 27400 1 131 . 1 1 15 15 PRO CD C 13 50.466 0.029 . 1 . . . . . 15 PRO CD . 27400 1 132 . 1 1 16 16 GLN H H 1 8.466 0.003 . 1 . . . . . 16 GLN H . 27400 1 133 . 1 1 16 16 GLN HA H 1 4.269 0.003 . 1 . . . . . 16 GLN HA . 27400 1 134 . 1 1 16 16 GLN HB2 H 1 2.032 0.008 . . . . . . . 16 GLN HB2 . 27400 1 135 . 1 1 16 16 GLN HB3 H 1 2.032 0.008 . . . . . . . 16 GLN HB3 . 27400 1 136 . 1 1 16 16 GLN HG2 H 1 2.389 0.012 . . . . . . . 16 GLN HG2 . 27400 1 137 . 1 1 16 16 GLN HG3 H 1 2.389 0.012 . . . . . . . 16 GLN HG3 . 27400 1 138 . 1 1 16 16 GLN C C 13 176.255 0.018 . 1 . . . . . 16 GLN C . 27400 1 139 . 1 1 16 16 GLN CA C 13 56.192 0.038 . 1 . . . . . 16 GLN CA . 27400 1 140 . 1 1 16 16 GLN CB C 13 29.277 0.000 . 1 . . . . . 16 GLN CB . 27400 1 141 . 1 1 16 16 GLN N N 15 119.555 0.057 . 1 . . . . . 16 GLN N . 27400 1 142 . 1 1 17 17 GLN H H 1 8.333 0.003 . 1 . . . . . 17 GLN H . 27400 1 143 . 1 1 17 17 GLN HA H 1 4.322 0.007 . 1 . . . . . 17 GLN HA . 27400 1 144 . 1 1 17 17 GLN HB2 H 1 2.053 0.000 . . . . . . . 17 GLN HB2 . 27400 1 145 . 1 1 17 17 GLN HB3 H 1 2.053 0.000 . . . . . . . 17 GLN HB3 . 27400 1 146 . 1 1 17 17 GLN HG2 H 1 2.355 . . . . . . . . 17 GLN HG2 . 27400 1 147 . 1 1 17 17 GLN C C 13 175.912 0.004 . 1 . . . . . 17 GLN C . 27400 1 148 . 1 1 17 17 GLN CA C 13 56.014 0.068 . 1 . . . . . 17 GLN CA . 27400 1 149 . 1 1 17 17 GLN CB C 13 29.546 0.049 . 1 . . . . . 17 GLN CB . 27400 1 150 . 1 1 17 17 GLN N N 15 121.153 0.069 . 1 . . . . . 17 GLN N . 27400 1 151 . 1 1 18 18 ARG H H 1 8.264 0.005 . 1 . . . . . 18 ARG H . 27400 1 152 . 1 1 18 18 ARG HA H 1 4.318 0.000 . 1 . . . . . 18 ARG HA . 27400 1 153 . 1 1 18 18 ARG HB2 H 1 1.785 0.012 . . . . . . . 18 ARG HB2 . 27400 1 154 . 1 1 18 18 ARG HB3 H 1 1.785 0.012 . . . . . . . 18 ARG HB3 . 27400 1 155 . 1 1 18 18 ARG C C 13 175.800 0.014 . 1 . . . . . 18 ARG C . 27400 1 156 . 1 1 18 18 ARG CA C 13 56.056 0.015 . 1 . . . . . 18 ARG CA . 27400 1 157 . 1 1 18 18 ARG CB C 13 30.988 0.007 . 1 . . . . . 18 ARG CB . 27400 1 158 . 1 1 18 18 ARG N N 15 122.159 0.062 . 1 . . . . . 18 ARG N . 27400 1 159 . 1 1 19 19 ALA H H 1 8.270 0.004 . 1 . . . . . 19 ALA H . 27400 1 160 . 1 1 19 19 ALA HA H 1 4.318 0.006 . 1 . . . . . 19 ALA HA . 27400 1 161 . 1 1 19 19 ALA HB1 H 1 1.371 0.001 . 1 . . . . . 19 ALA MB . 27400 1 162 . 1 1 19 19 ALA HB2 H 1 1.371 0.001 . 1 . . . . . 19 ALA MB . 27400 1 163 . 1 1 19 19 ALA HB3 H 1 1.371 0.001 . 1 . . . . . 19 ALA MB . 27400 1 164 . 1 1 19 19 ALA C C 13 176.952 0.004 . 1 . . . . . 19 ALA C . 27400 1 165 . 1 1 19 19 ALA CA C 13 52.113 0.059 . 1 . . . . . 19 ALA CA . 27400 1 166 . 1 1 19 19 ALA CB C 13 19.471 0.070 . 1 . . . . . 19 ALA CB . 27400 1 167 . 1 1 19 19 ALA N N 15 125.293 0.026 . 1 . . . . . 19 ALA N . 27400 1 168 . 1 1 20 20 ALA H H 1 8.258 0.003 . 1 . . . . . 20 ALA H . 27400 1 169 . 1 1 20 20 ALA HA H 1 4.581 0.011 . 1 . . . . . 20 ALA HA . 27400 1 170 . 1 1 20 20 ALA HB1 H 1 1.373 0.002 . 1 . . . . . 20 ALA MB . 27400 1 171 . 1 1 20 20 ALA HB2 H 1 1.373 0.002 . 1 . . . . . 20 ALA MB . 27400 1 172 . 1 1 20 20 ALA HB3 H 1 1.373 0.002 . 1 . . . . . 20 ALA MB . 27400 1 173 . 1 1 20 20 ALA C C 13 175.618 0.000 . 1 . . . . . 20 ALA C . 27400 1 174 . 1 1 20 20 ALA CA C 13 50.490 0.041 . 1 . . . . . 20 ALA CA . 27400 1 175 . 1 1 20 20 ALA CB C 13 18.157 0.083 . 1 . . . . . 20 ALA CB . 27400 1 176 . 1 1 20 20 ALA N N 15 124.961 0.031 . 1 . . . . . 20 ALA N . 27400 1 177 . 1 1 21 21 PRO HA H 1 4.436 0.008 . 1 . . . . . 21 PRO HA . 27400 1 178 . 1 1 21 21 PRO HB2 H 1 1.921 0.021 . . . . . . . 21 PRO HB2 . 27400 1 179 . 1 1 21 21 PRO HB3 H 1 2.308 0.001 . . . . . . . 21 PRO HB3 . 27400 1 180 . 1 1 21 21 PRO HG2 H 1 1.915 0.000 . . . . . . . 21 PRO HG2 . 27400 1 181 . 1 1 21 21 PRO HG3 H 1 1.985 0.000 . . . . . . . 21 PRO HG3 . 27400 1 182 . 1 1 21 21 PRO HD2 H 1 3.675 0.003 . . . . . . . 21 PRO HD2 . 27400 1 183 . 1 1 21 21 PRO HD3 H 1 3.691 0.001 . . . . . . . 21 PRO HD3 . 27400 1 184 . 1 1 21 21 PRO C C 13 177.040 0.001 . 1 . . . . . 21 PRO C . 27400 1 185 . 1 1 21 21 PRO CA C 13 63.225 0.047 . 1 . . . . . 21 PRO CA . 27400 1 186 . 1 1 21 21 PRO CB C 13 32.080 0.063 . 1 . . . . . 21 PRO CB . 27400 1 187 . 1 1 21 21 PRO CG C 13 27.361 0.000 . 1 . . . . . 21 PRO CG . 27400 1 188 . 1 1 21 21 PRO CD C 13 50.489 0.055 . 1 . . . . . 21 PRO CD . 27400 1 189 . 1 1 22 22 GLN H H 1 8.475 0.003 . 1 . . . . . 22 GLN H . 27400 1 190 . 1 1 22 22 GLN HA H 1 4.302 0.006 . 1 . . . . . 22 GLN HA . 27400 1 191 . 1 1 22 22 GLN HB2 H 1 2.529 0.000 . . . . . . . 22 GLN HB2 . 27400 1 192 . 1 1 22 22 GLN HB3 H 1 2.020 0.020 . . . . . . . 22 GLN HB3 . 27400 1 193 . 1 1 22 22 GLN HG2 H 1 2.399 0.021 . . . . . . . 22 GLN HG2 . 27400 1 194 . 1 1 22 22 GLN HG3 H 1 2.429 0.000 . . . . . . . 22 GLN HG3 . 27400 1 195 . 1 1 22 22 GLN C C 13 176.051 0.004 . 1 . . . . . 22 GLN C . 27400 1 196 . 1 1 22 22 GLN CA C 13 55.954 0.080 . 1 . . . . . 22 GLN CA . 27400 1 197 . 1 1 22 22 GLN CB C 13 29.609 0.017 . 1 . . . . . 22 GLN CB . 27400 1 198 . 1 1 22 22 GLN CG C 13 33.810 0.000 . 1 . . . . . 22 GLN CG . 27400 1 199 . 1 1 22 22 GLN N N 15 120.346 0.052 . 1 . . . . . 22 GLN N . 27400 1 200 . 1 1 23 23 GLN H H 1 8.440 0.041 . 1 . . . . . 23 GLN H . 27400 1 201 . 1 1 23 23 GLN HA H 1 4.325 0.005 . 1 . . . . . 23 GLN HA . 27400 1 202 . 1 1 23 23 GLN HB2 H 1 2.047 0.000 . . . . . . . 23 GLN HB2 . 27400 1 203 . 1 1 23 23 GLN HB3 H 1 2.017 0.004 . . . . . . . 23 GLN HB3 . 27400 1 204 . 1 1 23 23 GLN HG2 H 1 2.366 0.011 . . . . . . . 23 GLN HG2 . 27400 1 205 . 1 1 23 23 GLN HG3 H 1 2.290 0.000 . . . . . . . 23 GLN HG3 . 27400 1 206 . 1 1 23 23 GLN C C 13 175.771 0.011 . 1 . . . . . 23 GLN C . 27400 1 207 . 1 1 23 23 GLN CA C 13 55.840 0.046 . 1 . . . . . 23 GLN CA . 27400 1 208 . 1 1 23 23 GLN CB C 13 29.610 0.108 . 1 . . . . . 23 GLN CB . 27400 1 209 . 1 1 23 23 GLN CG C 13 33.799 0.009 . 1 . . . . . 23 GLN CG . 27400 1 210 . 1 1 23 23 GLN N N 15 121.752 0.133 . 1 . . . . . 23 GLN N . 27400 1 211 . 1 1 24 24 LYS H H 1 8.435 0.004 . 1 . . . . . 24 LYS H . 27400 1 212 . 1 1 24 24 LYS HA H 1 4.348 0.004 . 1 . . . . . 24 LYS HA . 27400 1 213 . 1 1 24 24 LYS HB2 H 1 1.809 0.012 . . . . . . . 24 LYS HB2 . 27400 1 214 . 1 1 24 24 LYS HB3 H 1 1.809 0.012 . . . . . . . 24 LYS HB3 . 27400 1 215 . 1 1 24 24 LYS HG2 H 1 1.473 0.008 . . . . . . . 24 LYS HG2 . 27400 1 216 . 1 1 24 24 LYS HG3 H 1 1.463 0.000 . . . . . . . 24 LYS HG3 . 27400 1 217 . 1 1 24 24 LYS HD2 H 1 1.719 0.000 . . . . . . . 24 LYS HD2 . 27400 1 218 . 1 1 24 24 LYS HD3 H 1 1.626 0.000 . . . . . . . 24 LYS HD3 . 27400 1 219 . 1 1 24 24 LYS HE2 H 1 3.020 0.000 . . . . . . . 24 LYS HE2 . 27400 1 220 . 1 1 24 24 LYS HE3 H 1 3.000 0.000 . . . . . . . 24 LYS HE3 . 27400 1 221 . 1 1 24 24 LYS C C 13 176.321 0.000 . 1 . . . . . 24 LYS C . 27400 1 222 . 1 1 24 24 LYS CA C 13 56.497 0.061 . 1 . . . . . 24 LYS CA . 27400 1 223 . 1 1 24 24 LYS CB C 13 33.244 0.013 . 1 . . . . . 24 LYS CB . 27400 1 224 . 1 1 24 24 LYS CG C 13 24.842 0.028 . 1 . . . . . 24 LYS CG . 27400 1 225 . 1 1 24 24 LYS CD C 13 29.113 0.000 . 1 . . . . . 24 LYS CD . 27400 1 226 . 1 1 24 24 LYS CE C 13 42.072 0.000 . 1 . . . . . 24 LYS CE . 27400 1 227 . 1 1 24 24 LYS N N 15 123.423 0.025 . 1 . . . . . 24 LYS N . 27400 1 228 . 1 1 25 25 ARG H H 1 8.443 0.004 . 1 . . . . . 25 ARG H . 27400 1 229 . 1 1 25 25 ARG HA H 1 4.617 0.100 . 1 . . . . . 25 ARG HA . 27400 1 230 . 1 1 25 25 ARG HB2 H 1 1.825 0.014 . . . . . . . 25 ARG HB2 . 27400 1 231 . 1 1 25 25 ARG HB3 H 1 1.799 0.002 . . . . . . . 25 ARG HB3 . 27400 1 232 . 1 1 25 25 ARG HG2 H 1 1.632 0.014 . . . . . . . 25 ARG HG2 . 27400 1 233 . 1 1 25 25 ARG HG3 H 1 1.559 0.014 . . . . . . . 25 ARG HG3 . 27400 1 234 . 1 1 25 25 ARG HD2 H 1 3.209 0.000 . . . . . . . 25 ARG HD2 . 27400 1 235 . 1 1 25 25 ARG HD3 H 1 3.148 0.000 . . . . . . . 25 ARG HD3 . 27400 1 236 . 1 1 25 25 ARG C C 13 176.130 0.036 . 1 . . . . . 25 ARG C . 27400 1 237 . 1 1 25 25 ARG CA C 13 55.760 0.072 . 1 . . . . . 25 ARG CA . 27400 1 238 . 1 1 25 25 ARG CB C 13 31.430 0.081 . 1 . . . . . 25 ARG CB . 27400 1 239 . 1 1 25 25 ARG CG C 13 27.050 0.091 . 1 . . . . . 25 ARG CG . 27400 1 240 . 1 1 25 25 ARG CD C 13 43.098 0.000 . 1 . . . . . 25 ARG CD . 27400 1 241 . 1 1 25 25 ARG N N 15 123.069 0.070 . 1 . . . . . 25 ARG N . 27400 1 242 . 1 1 26 26 SER H H 1 8.609 0.005 . 1 . . . . . 26 SER H . 27400 1 243 . 1 1 26 26 SER HA H 1 4.562 0.007 . 1 . . . . . 26 SER HA . 27400 1 244 . 1 1 26 26 SER HB2 H 1 3.823 0.000 . . . . . . . 26 SER HB2 . 27400 1 245 . 1 1 26 26 SER HB3 H 1 3.721 0.024 . . . . . . . 26 SER HB3 . 27400 1 246 . 1 1 26 26 SER C C 13 173.408 0.013 . 1 . . . . . 26 SER C . 27400 1 247 . 1 1 26 26 SER CA C 13 57.848 0.037 . 1 . . . . . 26 SER CA . 27400 1 248 . 1 1 26 26 SER CB C 13 64.090 0.025 . 1 . . . . . 26 SER CB . 27400 1 249 . 1 1 26 26 SER N N 15 117.751 0.053 . 1 . . . . . 26 SER N . 27400 1 250 . 1 1 27 27 SER H H 1 8.258 0.002 . 1 . . . . . 27 SER H . 27400 1 251 . 1 1 27 27 SER HA H 1 4.934 0.015 . 1 . . . . . 27 SER HA . 27400 1 252 . 1 1 27 27 SER HB2 H 1 4.051 0.015 . . . . . . . 27 SER HB2 . 27400 1 253 . 1 1 27 27 SER HB3 H 1 4.051 0.015 . . . . . . . 27 SER HB3 . 27400 1 254 . 1 1 27 27 SER C C 13 172.038 0.014 . 1 . . . . . 27 SER C . 27400 1 255 . 1 1 27 27 SER CA C 13 56.804 0.055 . 1 . . . . . 27 SER CA . 27400 1 256 . 1 1 27 27 SER CB C 13 63.661 0.072 . 1 . . . . . 27 SER CB . 27400 1 257 . 1 1 27 27 SER N N 15 118.705 0.051 . 1 . . . . . 27 SER N . 27400 1 258 . 1 1 28 28 PRO HA H 1 4.458 0.011 . 1 . . . . . 28 PRO HA . 27400 1 259 . 1 1 28 28 PRO HB2 H 1 2.165 0.000 . . . . . . . 28 PRO HB2 . 27400 1 260 . 1 1 28 28 PRO HB3 H 1 1.904 0.000 . . . . . . . 28 PRO HB3 . 27400 1 261 . 1 1 28 28 PRO HG2 H 1 2.051 0.011 . . . . . . . 28 PRO HG2 . 27400 1 262 . 1 1 28 28 PRO HG3 H 1 2.029 0.015 . . . . . . . 28 PRO HG3 . 27400 1 263 . 1 1 28 28 PRO HD2 H 1 3.618 0.000 . . . . . . . 28 PRO HD2 . 27400 1 264 . 1 1 28 28 PRO HD3 H 1 3.618 0.000 . . . . . . . 28 PRO HD3 . 27400 1 265 . 1 1 28 28 PRO C C 13 177.023 0.012 . 1 . . . . . 28 PRO C . 27400 1 266 . 1 1 28 28 PRO CA C 13 63.701 0.025 . 1 . . . . . 28 PRO CA . 27400 1 267 . 1 1 28 28 PRO CB C 13 32.080 0.013 . 1 . . . . . 28 PRO CB . 27400 1 268 . 1 1 28 28 PRO CG C 13 27.392 0.077 . 1 . . . . . 28 PRO CG . 27400 1 269 . 1 1 28 28 PRO CD C 13 50.739 0.096 . 1 . . . . . 28 PRO CD . 27400 1 270 . 1 1 29 29 SER H H 1 8.326 0.006 . 1 . . . . . 29 SER H . 27400 1 271 . 1 1 29 29 SER HA H 1 4.470 0.003 . 1 . . . . . 29 SER HA . 27400 1 272 . 1 1 29 29 SER HB2 H 1 3.848 0.000 . . . . . . . 29 SER HB2 . 27400 1 273 . 1 1 29 29 SER HB3 H 1 3.757 0.003 . . . . . . . 29 SER HB3 . 27400 1 274 . 1 1 29 29 SER C C 13 174.783 0.038 . 1 . . . . . 29 SER C . 27400 1 275 . 1 1 29 29 SER CA C 13 58.418 0.038 . 1 . . . . . 29 SER CA . 27400 1 276 . 1 1 29 29 SER CB C 13 63.981 0.007 . 1 . . . . . 29 SER CB . 27400 1 277 . 1 1 29 29 SER N N 15 114.977 0.065 . 1 . . . . . 29 SER N . 27400 1 278 . 1 1 30 30 GLU H H 1 9.248 0.007 . 1 . . . . . 30 GLU H . 27400 1 279 . 1 1 30 30 GLU HA H 1 3.871 0.010 . 1 . . . . . 30 GLU HA . 27400 1 280 . 1 1 30 30 GLU HB2 H 1 2.131 0.008 . . . . . . . 30 GLU HB2 . 27400 1 281 . 1 1 30 30 GLU HB3 H 1 1.982 0.004 . . . . . . . 30 GLU HB3 . 27400 1 282 . 1 1 30 30 GLU HG2 H 1 2.406 0.000 . . . . . . . 30 GLU HG2 . 27400 1 283 . 1 1 30 30 GLU HG3 H 1 2.356 0.000 . . . . . . . 30 GLU HG3 . 27400 1 284 . 1 1 30 30 GLU C C 13 176.330 0.009 . 1 . . . . . 30 GLU C . 27400 1 285 . 1 1 30 30 GLU CA C 13 57.012 0.074 . 1 . . . . . 30 GLU CA . 27400 1 286 . 1 1 30 30 GLU CB C 13 27.485 0.107 . 1 . . . . . 30 GLU CB . 27400 1 287 . 1 1 30 30 GLU CG C 13 36.401 0.258 . 1 . . . . . 30 GLU CG . 27400 1 288 . 1 1 30 30 GLU N N 15 126.317 0.048 . 1 . . . . . 30 GLU N . 27400 1 289 . 1 1 31 31 GLY H H 1 8.350 0.008 . 1 . . . . . 31 GLY H . 27400 1 290 . 1 1 31 31 GLY HA2 H 1 4.121 0.026 . . . . . . . 31 GLY HA2 . 27400 1 291 . 1 1 31 31 GLY HA3 H 1 3.582 0.007 . . . . . . . 31 GLY HA3 . 27400 1 292 . 1 1 31 31 GLY C C 13 172.756 0.030 . 1 . . . . . 31 GLY C . 27400 1 293 . 1 1 31 31 GLY CA C 13 45.134 0.032 . 1 . . . . . 31 GLY CA . 27400 1 294 . 1 1 31 31 GLY N N 15 103.156 0.052 . 1 . . . . . 31 GLY N . 27400 1 295 . 1 1 32 32 LEU H H 1 7.540 0.006 . 1 . . . . . 32 LEU H . 27400 1 296 . 1 1 32 32 LEU HA H 1 4.904 0.012 . 1 . . . . . 32 LEU HA . 27400 1 297 . 1 1 32 32 LEU HB2 H 1 1.654 0.021 . . . . . . . 32 LEU HB2 . 27400 1 298 . 1 1 32 32 LEU HB3 H 1 1.648 0.000 . . . . . . . 32 LEU HB3 . 27400 1 299 . 1 1 32 32 LEU HG H 1 1.607 0.000 . 1 . . . . . 32 LEU HG . 27400 1 300 . 1 1 32 32 LEU HD11 H 1 0.876 0.000 . . . . . . . 32 LEU MD1 . 27400 1 301 . 1 1 32 32 LEU HD12 H 1 0.876 0.000 . . . . . . . 32 LEU MD1 . 27400 1 302 . 1 1 32 32 LEU HD13 H 1 0.876 0.000 . . . . . . . 32 LEU MD1 . 27400 1 303 . 1 1 32 32 LEU HD21 H 1 0.794 0.019 . . . . . . . 32 LEU MD2 . 27400 1 304 . 1 1 32 32 LEU HD22 H 1 0.794 0.019 . . . . . . . 32 LEU MD2 . 27400 1 305 . 1 1 32 32 LEU HD23 H 1 0.794 0.019 . . . . . . . 32 LEU MD2 . 27400 1 306 . 1 1 32 32 LEU C C 13 176.341 0.020 . 1 . . . . . 32 LEU C . 27400 1 307 . 1 1 32 32 LEU CA C 13 52.980 0.095 . 1 . . . . . 32 LEU CA . 27400 1 308 . 1 1 32 32 LEU CB C 13 46.632 0.060 . 1 . . . . . 32 LEU CB . 27400 1 309 . 1 1 32 32 LEU CG C 13 25.950 0.000 . 1 . . . . . 32 LEU CG . 27400 1 310 . 1 1 32 32 LEU CD1 C 13 23.012 . . . . . . . . 32 LEU CD1 . 27400 1 311 . 1 1 32 32 LEU CD2 C 13 23.275 . . . . . . . . 32 LEU CD2 . 27400 1 312 . 1 1 32 32 LEU N N 15 116.348 0.061 . 1 . . . . . 32 LEU N . 27400 1 313 . 1 1 33 33 CYS H H 1 9.543 0.012 . 1 . . . . . 33 CYS H . 27400 1 314 . 1 1 33 33 CYS HA H 1 4.857 0.017 . 1 . . . . . 33 CYS HA . 27400 1 315 . 1 1 33 33 CYS C C 13 170.687 0.005 . 1 . . . . . 33 CYS C . 27400 1 316 . 1 1 33 33 CYS CA C 13 52.256 0.084 . 1 . . . . . 33 CYS CA . 27400 1 317 . 1 1 33 33 CYS CB C 13 41.289 0.000 . 1 . . . . . 33 CYS CB . 27400 1 318 . 1 1 33 33 CYS N N 15 118.196 0.063 . 1 . . . . . 33 CYS N . 27400 1 319 . 1 1 35 35 PRO HA H 1 3.793 . . 1 . . . . . 35 PRO HA . 27400 1 320 . 1 1 35 35 PRO HB2 H 1 2.030 0.006 . . . . . . . 35 PRO HB2 . 27400 1 321 . 1 1 35 35 PRO HB3 H 1 2.030 0.006 . . . . . . . 35 PRO HB3 . 27400 1 322 . 1 1 35 35 PRO C C 13 178.315 0.000 . 1 . . . . . 35 PRO C . 27400 1 323 . 1 1 35 35 PRO CA C 13 63.037 0.025 . 1 . . . . . 35 PRO CA . 27400 1 324 . 1 1 35 35 PRO CB C 13 31.156 0.024 . 1 . . . . . 35 PRO CB . 27400 1 325 . 1 1 36 36 GLY H H 1 9.145 0.016 . 1 . . . . . 36 GLY H . 27400 1 326 . 1 1 36 36 GLY HA2 H 1 4.088 0.000 . . . . . . . 36 GLY HA2 . 27400 1 327 . 1 1 36 36 GLY HA3 H 1 4.088 0.000 . . . . . . . 36 GLY HA3 . 27400 1 328 . 1 1 36 36 GLY C C 13 174.129 0.004 . 1 . . . . . 36 GLY C . 27400 1 329 . 1 1 36 36 GLY CA C 13 45.257 0.000 . 1 . . . . . 36 GLY CA . 27400 1 330 . 1 1 36 36 GLY N N 15 116.163 0.070 . 1 . . . . . 36 GLY N . 27400 1 331 . 1 1 37 37 HIS H H 1 7.861 0.005 . 1 . . . . . 37 HIS H . 27400 1 332 . 1 1 37 37 HIS HA H 1 5.193 0.007 . 1 . . . . . 37 HIS HA . 27400 1 333 . 1 1 37 37 HIS HB2 H 1 2.665 0.018 . . . . . . . 37 HIS HB2 . 27400 1 334 . 1 1 37 37 HIS HB3 H 1 2.665 0.018 . . . . . . . 37 HIS HB3 . 27400 1 335 . 1 1 37 37 HIS C C 13 173.040 0.019 . 1 . . . . . 37 HIS C . 27400 1 336 . 1 1 37 37 HIS CA C 13 55.192 0.023 . 1 . . . . . 37 HIS CA . 27400 1 337 . 1 1 37 37 HIS CB C 13 32.923 0.031 . 1 . . . . . 37 HIS CB . 27400 1 338 . 1 1 37 37 HIS N N 15 118.906 0.100 . 1 . . . . . 37 HIS N . 27400 1 339 . 1 1 38 38 HIS H H 1 9.063 0.009 . 1 . . . . . 38 HIS H . 27400 1 340 . 1 1 38 38 HIS HA H 1 5.251 0.010 . 1 . . . . . 38 HIS HA . 27400 1 341 . 1 1 38 38 HIS HB2 H 1 3.486 0.000 . . . . . . . 38 HIS HB2 . 27400 1 342 . 1 1 38 38 HIS HB3 H 1 3.471 0.000 . . . . . . . 38 HIS HB3 . 27400 1 343 . 1 1 38 38 HIS C C 13 172.074 0.014 . 1 . . . . . 38 HIS C . 27400 1 344 . 1 1 38 38 HIS CA C 13 53.796 0.080 . 1 . . . . . 38 HIS CA . 27400 1 345 . 1 1 38 38 HIS CB C 13 30.299 0.058 . 1 . . . . . 38 HIS CB . 27400 1 346 . 1 1 38 38 HIS N N 15 116.291 0.064 . 1 . . . . . 38 HIS N . 27400 1 347 . 1 1 39 39 ILE H H 1 8.708 0.004 . 1 . . . . . 39 ILE H . 27400 1 348 . 1 1 39 39 ILE HA H 1 5.336 0.013 . 1 . . . . . 39 ILE HA . 27400 1 349 . 1 1 39 39 ILE HB H 1 1.387 0.006 . 1 . . . . . 39 ILE HB . 27400 1 350 . 1 1 39 39 ILE HG12 H 1 1.402 0.001 . . . . . . . 39 ILE HG12 . 27400 1 351 . 1 1 39 39 ILE HG13 H 1 1.402 0.001 . . . . . . . 39 ILE HG13 . 27400 1 352 . 1 1 39 39 ILE HG21 H 1 0.759 0.010 . 1 . . . . . 39 ILE MG . 27400 1 353 . 1 1 39 39 ILE HG22 H 1 0.759 0.010 . 1 . . . . . 39 ILE MG . 27400 1 354 . 1 1 39 39 ILE HG23 H 1 0.759 0.010 . 1 . . . . . 39 ILE MG . 27400 1 355 . 1 1 39 39 ILE HD11 H 1 0.754 0.000 . 1 . . . . . 39 ILE MD . 27400 1 356 . 1 1 39 39 ILE HD12 H 1 0.754 0.000 . 1 . . . . . 39 ILE MD . 27400 1 357 . 1 1 39 39 ILE HD13 H 1 0.754 0.000 . 1 . . . . . 39 ILE MD . 27400 1 358 . 1 1 39 39 ILE C C 13 175.670 0.000 . 1 . . . . . 39 ILE C . 27400 1 359 . 1 1 39 39 ILE CA C 13 61.350 0.100 . 1 . . . . . 39 ILE CA . 27400 1 360 . 1 1 39 39 ILE CB C 13 43.272 0.102 . 1 . . . . . 39 ILE CB . 27400 1 361 . 1 1 39 39 ILE CG1 C 13 29.661 0.074 . 1 . . . . . 39 ILE CG1 . 27400 1 362 . 1 1 39 39 ILE CG2 C 13 15.703 0.061 . 1 . . . . . 39 ILE CG2 . 27400 1 363 . 1 1 39 39 ILE CD1 C 13 14.163 0.000 . 1 . . . . . 39 ILE CD1 . 27400 1 364 . 1 1 39 39 ILE N N 15 123.718 0.058 . 1 . . . . . 39 ILE N . 27400 1 365 . 1 1 40 40 SER HA H 1 4.633 0.019 . 1 . . . . . 40 SER HA . 27400 1 366 . 1 1 40 40 SER C C 13 176.288 0.000 . 1 . . . . . 40 SER C . 27400 1 367 . 1 1 40 40 SER CA C 13 57.908 0.080 . 1 . . . . . 40 SER CA . 27400 1 368 . 1 1 40 40 SER CB C 13 64.802 0.000 . 1 . . . . . 40 SER CB . 27400 1 369 . 1 1 41 41 GLU H H 1 9.264 0.004 . 1 . . . . . 41 GLU H . 27400 1 370 . 1 1 41 41 GLU HA H 1 4.031 0.032 . 1 . . . . . 41 GLU HA . 27400 1 371 . 1 1 41 41 GLU HB2 H 1 2.133 0.000 . . . . . . . 41 GLU HB2 . 27400 1 372 . 1 1 41 41 GLU HB3 H 1 2.133 0.000 . . . . . . . 41 GLU HB3 . 27400 1 373 . 1 1 41 41 GLU HG2 H 1 2.411 0.000 . . . . . . . 41 GLU HG2 . 27400 1 374 . 1 1 41 41 GLU HG3 H 1 2.411 0.000 . . . . . . . 41 GLU HG3 . 27400 1 375 . 1 1 41 41 GLU C C 13 177.201 0.013 . 1 . . . . . 41 GLU C . 27400 1 376 . 1 1 41 41 GLU CA C 13 59.889 0.063 . 1 . . . . . 41 GLU CA . 27400 1 377 . 1 1 41 41 GLU CB C 13 29.540 0.090 . 1 . . . . . 41 GLU CB . 27400 1 378 . 1 1 41 41 GLU N N 15 121.867 0.042 . 1 . . . . . 41 GLU N . 27400 1 379 . 1 1 42 42 ASP H H 1 8.004 0.005 . 1 . . . . . 42 ASP H . 27400 1 380 . 1 1 42 42 ASP HA H 1 4.556 0.005 . 1 . . . . . 42 ASP HA . 27400 1 381 . 1 1 42 42 ASP HB2 H 1 3.114 0.000 . . . . . . . 42 ASP HB2 . 27400 1 382 . 1 1 42 42 ASP HB3 H 1 2.673 0.010 . . . . . . . 42 ASP HB3 . 27400 1 383 . 1 1 42 42 ASP C C 13 177.386 0.031 . 1 . . . . . 42 ASP C . 27400 1 384 . 1 1 42 42 ASP CA C 13 52.969 0.057 . 1 . . . . . 42 ASP CA . 27400 1 385 . 1 1 42 42 ASP CB C 13 40.478 . . 1 . . . . . 42 ASP CB . 27400 1 386 . 1 1 42 42 ASP N N 15 113.900 0.033 . 1 . . . . . 42 ASP N . 27400 1 387 . 1 1 43 43 GLY H H 1 7.925 0.005 . 1 . . . . . 43 GLY H . 27400 1 388 . 1 1 43 43 GLY HA2 H 1 4.100 0.013 . . . . . . . 43 GLY HA2 . 27400 1 389 . 1 1 43 43 GLY HA3 H 1 3.643 0.005 . . . . . . . 43 GLY HA3 . 27400 1 390 . 1 1 43 43 GLY C C 13 174.234 0.000 . 1 . . . . . 43 GLY C . 27400 1 391 . 1 1 43 43 GLY CA C 13 45.768 0.074 . 1 . . . . . 43 GLY CA . 27400 1 392 . 1 1 43 43 GLY N N 15 108.501 0.050 . 1 . . . . . 43 GLY N . 27400 1 393 . 1 1 44 44 ARG H H 1 7.765 0.005 . 1 . . . . . 44 ARG H . 27400 1 394 . 1 1 44 44 ARG HA H 1 4.222 0.027 . 1 . . . . . 44 ARG HA . 27400 1 395 . 1 1 44 44 ARG HB2 H 1 1.741 0.000 . . . . . . . 44 ARG HB2 . 27400 1 396 . 1 1 44 44 ARG HB3 H 1 1.736 0.023 . . . . . . . 44 ARG HB3 . 27400 1 397 . 1 1 44 44 ARG HG2 H 1 1.497 0.012 . . . . . . . 44 ARG HG2 . 27400 1 398 . 1 1 44 44 ARG HG3 H 1 1.497 0.012 . . . . . . . 44 ARG HG3 . 27400 1 399 . 1 1 44 44 ARG HD2 H 1 3.105 0.000 . . . . . . . 44 ARG HD2 . 27400 1 400 . 1 1 44 44 ARG HD3 H 1 3.105 0.000 . . . . . . . 44 ARG HD3 . 27400 1 401 . 1 1 44 44 ARG C C 13 175.656 0.011 . 1 . . . . . 44 ARG C . 27400 1 402 . 1 1 44 44 ARG CA C 13 57.419 0.080 . 1 . . . . . 44 ARG CA . 27400 1 403 . 1 1 44 44 ARG CB C 13 31.311 0.052 . 1 . . . . . 44 ARG CB . 27400 1 404 . 1 1 44 44 ARG CG C 13 27.301 0.000 . 1 . . . . . 44 ARG CG . 27400 1 405 . 1 1 44 44 ARG N N 15 116.357 0.043 . 1 . . . . . 44 ARG N . 27400 1 406 . 1 1 45 45 ASP H H 1 8.083 0.011 . 1 . . . . . 45 ASP H . 27400 1 407 . 1 1 45 45 ASP HA H 1 5.240 0.018 . 1 . . . . . 45 ASP HA . 27400 1 408 . 1 1 45 45 ASP HB2 H 1 2.434 0.032 . . . . . . . 45 ASP HB2 . 27400 1 409 . 1 1 45 45 ASP HB3 H 1 2.512 0.001 . . . . . . . 45 ASP HB3 . 27400 1 410 . 1 1 45 45 ASP C C 13 174.199 0.021 . 1 . . . . . 45 ASP C . 27400 1 411 . 1 1 45 45 ASP CA C 13 52.929 0.063 . 1 . . . . . 45 ASP CA . 27400 1 412 . 1 1 45 45 ASP CB C 13 45.567 0.079 . 1 . . . . . 45 ASP CB . 27400 1 413 . 1 1 45 45 ASP N N 15 116.824 0.046 . 1 . . . . . 45 ASP N . 27400 1 414 . 1 1 46 46 CYS H H 1 8.429 0.014 . 1 . . . . . 46 CYS H . 27400 1 415 . 1 1 46 46 CYS HA H 1 5.356 0.005 . 1 . . . . . 46 CYS HA . 27400 1 416 . 1 1 46 46 CYS HB2 H 1 2.729 0.015 . . . . . . . 46 CYS HB2 . 27400 1 417 . 1 1 46 46 CYS HB3 H 1 2.729 0.015 . . . . . . . 46 CYS HB3 . 27400 1 418 . 1 1 46 46 CYS C C 13 173.406 0.009 . 1 . . . . . 46 CYS C . 27400 1 419 . 1 1 46 46 CYS CA C 13 53.155 0.041 . 1 . . . . . 46 CYS CA . 27400 1 420 . 1 1 46 46 CYS CB C 13 39.305 0.079 . 1 . . . . . 46 CYS CB . 27400 1 421 . 1 1 46 46 CYS N N 15 116.217 0.052 . 1 . . . . . 46 CYS N . 27400 1 422 . 1 1 47 47 ILE H H 1 8.952 0.009 . 1 . . . . . 47 ILE H . 27400 1 423 . 1 1 47 47 ILE HA H 1 4.220 0.018 . 1 . . . . . 47 ILE HA . 27400 1 424 . 1 1 47 47 ILE HG21 H 1 0.879 0.012 . 1 . . . . . 47 ILE MG . 27400 1 425 . 1 1 47 47 ILE HG22 H 1 0.879 0.012 . 1 . . . . . 47 ILE MG . 27400 1 426 . 1 1 47 47 ILE HG23 H 1 0.879 0.012 . 1 . . . . . 47 ILE MG . 27400 1 427 . 1 1 47 47 ILE HD11 H 1 0.364 0.007 . 1 . . . . . 47 ILE MD . 27400 1 428 . 1 1 47 47 ILE HD12 H 1 0.364 0.007 . 1 . . . . . 47 ILE MD . 27400 1 429 . 1 1 47 47 ILE HD13 H 1 0.364 0.007 . 1 . . . . . 47 ILE MD . 27400 1 430 . 1 1 47 47 ILE C C 13 175.230 0.016 . 1 . . . . . 47 ILE C . 27400 1 431 . 1 1 47 47 ILE CA C 13 62.258 0.026 . 1 . . . . . 47 ILE CA . 27400 1 432 . 1 1 47 47 ILE CG1 C 13 27.184 0.000 . 1 . . . . . 47 ILE CG1 . 27400 1 433 . 1 1 47 47 ILE CG2 C 13 17.345 0.000 . 1 . . . . . 47 ILE CG2 . 27400 1 434 . 1 1 47 47 ILE CD1 C 13 13.853 0.000 . 1 . . . . . 47 ILE CD1 . 27400 1 435 . 1 1 47 47 ILE N N 15 125.663 0.068 . 1 . . . . . 47 ILE N . 27400 1 436 . 1 1 48 48 SER H H 1 8.793 0.005 . 1 . . . . . 48 SER H . 27400 1 437 . 1 1 48 48 SER HA H 1 4.259 0.000 . 1 . . . . . 48 SER HA . 27400 1 438 . 1 1 48 48 SER HB2 H 1 3.711 0.024 . . . . . . . 48 SER HB2 . 27400 1 439 . 1 1 48 48 SER HB3 H 1 3.711 0.024 . . . . . . . 48 SER HB3 . 27400 1 440 . 1 1 48 48 SER C C 13 176.361 0.025 . 1 . . . . . 48 SER C . 27400 1 441 . 1 1 48 48 SER CA C 13 59.502 0.066 . 1 . . . . . 48 SER CA . 27400 1 442 . 1 1 48 48 SER CB C 13 63.242 0.063 . 1 . . . . . 48 SER CB . 27400 1 443 . 1 1 48 48 SER N N 15 120.833 0.042 . 1 . . . . . 48 SER N . 27400 1 444 . 1 1 49 49 CYS H H 1 8.540 0.009 . 1 . . . . . 49 CYS H . 27400 1 445 . 1 1 49 49 CYS HA H 1 4.738 0.009 . 1 . . . . . 49 CYS HA . 27400 1 446 . 1 1 49 49 CYS HB2 H 1 1.943 0.000 . . . . . . . 49 CYS HB2 . 27400 1 447 . 1 1 49 49 CYS HB3 H 1 1.943 0.000 . . . . . . . 49 CYS HB3 . 27400 1 448 . 1 1 49 49 CYS C C 13 173.699 0.008 . 1 . . . . . 49 CYS C . 27400 1 449 . 1 1 49 49 CYS CA C 13 53.648 0.040 . 1 . . . . . 49 CYS CA . 27400 1 450 . 1 1 49 49 CYS CB C 13 37.246 0.003 . 1 . . . . . 49 CYS CB . 27400 1 451 . 1 1 49 49 CYS N N 15 124.641 0.074 . 1 . . . . . 49 CYS N . 27400 1 452 . 1 1 50 50 LYS H H 1 10.032 0.007 . 1 . . . . . 50 LYS H . 27400 1 453 . 1 1 50 50 LYS HA H 1 4.428 0.014 . 1 . . . . . 50 LYS HA . 27400 1 454 . 1 1 50 50 LYS HB2 H 1 1.751 0.003 . . . . . . . 50 LYS HB2 . 27400 1 455 . 1 1 50 50 LYS HB3 H 1 1.751 0.003 . . . . . . . 50 LYS HB3 . 27400 1 456 . 1 1 50 50 LYS HG2 H 1 1.288 0.010 . . . . . . . 50 LYS HG2 . 27400 1 457 . 1 1 50 50 LYS HG3 H 1 1.288 0.010 . . . . . . . 50 LYS HG3 . 27400 1 458 . 1 1 50 50 LYS C C 13 175.215 0.002 . 1 . . . . . 50 LYS C . 27400 1 459 . 1 1 50 50 LYS CA C 13 55.636 0.026 . 1 . . . . . 50 LYS CA . 27400 1 460 . 1 1 50 50 LYS CB C 13 32.840 0.014 . 1 . . . . . 50 LYS CB . 27400 1 461 . 1 1 50 50 LYS N N 15 124.676 0.059 . 1 . . . . . 50 LYS N . 27400 1 462 . 1 1 51 51 TYR H H 1 8.786 0.008 . 1 . . . . . 51 TYR H . 27400 1 463 . 1 1 51 51 TYR HA H 1 4.051 0.011 . 1 . . . . . 51 TYR HA . 27400 1 464 . 1 1 51 51 TYR HB2 H 1 3.062 0.000 . . . . . . . 51 TYR HB2 . 27400 1 465 . 1 1 51 51 TYR HB3 H 1 3.003 0.008 . . . . . . . 51 TYR HB3 . 27400 1 466 . 1 1 51 51 TYR HD1 H 1 7.200 0.001 . . . . . . . 51 TYR HD1 . 27400 1 467 . 1 1 51 51 TYR HD2 H 1 7.200 0.001 . . . . . . . 51 TYR HD2 . 27400 1 468 . 1 1 51 51 TYR HE1 H 1 6.901 0.006 . . . . . . . 51 TYR HE1 . 27400 1 469 . 1 1 51 51 TYR HE2 H 1 6.901 0.006 . . . . . . . 51 TYR HE2 . 27400 1 470 . 1 1 51 51 TYR C C 13 177.028 . . 1 . . . . . 51 TYR C . 27400 1 471 . 1 1 51 51 TYR CA C 13 60.623 0.066 . 1 . . . . . 51 TYR CA . 27400 1 472 . 1 1 51 51 TYR CB C 13 38.158 0.031 . 1 . . . . . 51 TYR CB . 27400 1 473 . 1 1 51 51 TYR CE1 C 13 119.021 0.000 . . . . . . . 51 TYR CE1 . 27400 1 474 . 1 1 51 51 TYR CE2 C 13 119.021 0.000 . . . . . . . 51 TYR CE2 . 27400 1 475 . 1 1 51 51 TYR N N 15 129.734 0.064 . 1 . . . . . 51 TYR N . 27400 1 476 . 1 1 52 52 GLY H H 1 9.373 0.011 . 1 . . . . . 52 GLY H . 27400 1 477 . 1 1 52 52 GLY HA2 H 1 3.555 0.000 . . . . . . . 52 GLY HA2 . 27400 1 478 . 1 1 52 52 GLY HA3 H 1 3.555 0.000 . . . . . . . 52 GLY HA3 . 27400 1 479 . 1 1 52 52 GLY C C 13 177.049 0.000 . 1 . . . . . 52 GLY C . 27400 1 480 . 1 1 52 52 GLY CA C 13 45.503 0.011 . 1 . . . . . 52 GLY CA . 27400 1 481 . 1 1 52 52 GLY N N 15 120.119 0.038 . 1 . . . . . 52 GLY N . 27400 1 482 . 1 1 53 53 GLN H H 1 8.505 0.004 . 1 . . . . . 53 GLN H . 27400 1 483 . 1 1 53 53 GLN N N 15 120.250 0.088 . 1 . . . . . 53 GLN N . 27400 1 484 . 1 1 54 54 ASP HA H 1 5.290 0.008 . 1 . . . . . 54 ASP HA . 27400 1 485 . 1 1 54 54 ASP C C 13 173.897 0.000 . 1 . . . . . 54 ASP C . 27400 1 486 . 1 1 54 54 ASP CA C 13 54.441 0.083 . 1 . . . . . 54 ASP CA . 27400 1 487 . 1 1 54 54 ASP CB C 13 44.253 0.000 . 1 . . . . . 54 ASP CB . 27400 1 488 . 1 1 55 55 TYR H H 1 9.161 0.009 . 1 . . . . . 55 TYR H . 27400 1 489 . 1 1 55 55 TYR HA H 1 5.120 0.008 . 1 . . . . . 55 TYR HA . 27400 1 490 . 1 1 55 55 TYR HB2 H 1 3.010 0.030 . . . . . . . 55 TYR HB2 . 27400 1 491 . 1 1 55 55 TYR HB3 H 1 3.010 0.030 . . . . . . . 55 TYR HB3 . 27400 1 492 . 1 1 55 55 TYR HE1 H 1 6.587 0.012 . . . . . . . 55 TYR HE1 . 27400 1 493 . 1 1 55 55 TYR HE2 H 1 6.587 0.012 . . . . . . . 55 TYR HE2 . 27400 1 494 . 1 1 55 55 TYR C C 13 174.271 0.000 . 1 . . . . . 55 TYR C . 27400 1 495 . 1 1 55 55 TYR CA C 13 57.659 0.128 . 1 . . . . . 55 TYR CA . 27400 1 496 . 1 1 55 55 TYR CB C 13 44.002 0.073 . 1 . . . . . 55 TYR CB . 27400 1 497 . 1 1 55 55 TYR CE1 C 13 118.689 0.000 . . . . . . . 55 TYR CE1 . 27400 1 498 . 1 1 55 55 TYR CE2 C 13 118.689 0.000 . . . . . . . 55 TYR CE2 . 27400 1 499 . 1 1 55 55 TYR N N 15 114.415 0.058 . 1 . . . . . 55 TYR N . 27400 1 500 . 1 1 56 56 SER H H 1 8.437 0.009 . 1 . . . . . 56 SER H . 27400 1 501 . 1 1 56 56 SER HA H 1 4.521 0.004 . 1 . . . . . 56 SER HA . 27400 1 502 . 1 1 56 56 SER HB2 H 1 3.940 0.021 . . . . . . . 56 SER HB2 . 27400 1 503 . 1 1 56 56 SER HB3 H 1 3.940 0.021 . . . . . . . 56 SER HB3 . 27400 1 504 . 1 1 56 56 SER C C 13 175.920 0.000 . 1 . . . . . 56 SER C . 27400 1 505 . 1 1 56 56 SER CA C 13 58.131 0.062 . 1 . . . . . 56 SER CA . 27400 1 506 . 1 1 56 56 SER CB C 13 65.017 0.044 . 1 . . . . . 56 SER CB . 27400 1 507 . 1 1 56 56 SER N N 15 111.510 0.069 . 1 . . . . . 56 SER N . 27400 1 508 . 1 1 57 57 THR H H 1 9.011 0.008 . 1 . . . . . 57 THR H . 27400 1 509 . 1 1 57 57 THR HA H 1 4.649 0.021 . 1 . . . . . 57 THR HA . 27400 1 510 . 1 1 57 57 THR HB H 1 4.399 0.010 . 1 . . . . . 57 THR HB . 27400 1 511 . 1 1 57 57 THR HG21 H 1 1.443 0.008 . 1 . . . . . 57 THR MG . 27400 1 512 . 1 1 57 57 THR HG22 H 1 1.443 0.008 . 1 . . . . . 57 THR MG . 27400 1 513 . 1 1 57 57 THR HG23 H 1 1.443 0.008 . 1 . . . . . 57 THR MG . 27400 1 514 . 1 1 57 57 THR C C 13 174.553 0.096 . 1 . . . . . 57 THR C . 27400 1 515 . 1 1 57 57 THR CA C 13 63.109 0.090 . 1 . . . . . 57 THR CA . 27400 1 516 . 1 1 57 57 THR CB C 13 70.663 0.097 . 1 . . . . . 57 THR CB . 27400 1 517 . 1 1 57 57 THR CG2 C 13 22.214 0.058 . 1 . . . . . 57 THR CG2 . 27400 1 518 . 1 1 57 57 THR N N 15 115.784 0.052 . 1 . . . . . 57 THR N . 27400 1 519 . 1 1 58 58 HIS H H 1 7.910 0.003 . 1 . . . . . 58 HIS H . 27400 1 520 . 1 1 58 58 HIS HA H 1 5.220 0.023 . 1 . . . . . 58 HIS HA . 27400 1 521 . 1 1 58 58 HIS HB2 H 1 3.227 0.000 . . . . . . . 58 HIS HB2 . 27400 1 522 . 1 1 58 58 HIS HB3 H 1 3.227 0.00 . . . . . . . 58 HIS HB3 . 27400 1 523 . 1 1 58 58 HIS C C 13 174.678 0.016 . 1 . . . . . 58 HIS C . 27400 1 524 . 1 1 58 58 HIS CA C 13 54.519 0.109 . 1 . . . . . 58 HIS CA . 27400 1 525 . 1 1 58 58 HIS CB C 13 32.921 0.032 . 1 . . . . . 58 HIS CB . 27400 1 526 . 1 1 58 58 HIS N N 15 117.769 0.089 . 1 . . . . . 58 HIS N . 27400 1 527 . 1 1 59 59 TRP H H 1 8.845 0.004 . 1 . . . . . 59 TRP H . 27400 1 528 . 1 1 59 59 TRP HA H 1 5.119 0.008 . 1 . . . . . 59 TRP HA . 27400 1 529 . 1 1 59 59 TRP HB2 H 1 3.171 0.000 . . . . . . . 59 TRP HB2 . 27400 1 530 . 1 1 59 59 TRP HB3 H 1 3.150 0.000 . . . . . . . 59 TRP HB3 . 27400 1 531 . 1 1 59 59 TRP HD1 H 1 7.591 0.004 . 1 . . . . . 59 TRP HD1 . 27400 1 532 . 1 1 59 59 TRP HE1 H 1 10.353 0.003 . 1 . . . . . 59 TRP HE1 . 27400 1 533 . 1 1 59 59 TRP HE3 H 1 7.610 0.012 . 1 . . . . . 59 TRP HE3 . 27400 1 534 . 1 1 59 59 TRP C C 13 178.741 0.006 . 1 . . . . . 59 TRP C . 27400 1 535 . 1 1 59 59 TRP CA C 13 59.056 0.065 . 1 . . . . . 59 TRP CA . 27400 1 536 . 1 1 59 59 TRP CB C 13 28.193 0.156 . 1 . . . . . 59 TRP CB . 27400 1 537 . 1 1 59 59 TRP N N 15 123.331 0.072 . 1 . . . . . 59 TRP N . 27400 1 538 . 1 1 59 59 TRP NE1 N 15 130.514 0.080 . 1 . . . . . 59 TRP NE1 . 27400 1 539 . 1 1 60 60 ASN H H 1 9.797 0.006 . 1 . . . . . 60 ASN H . 27400 1 540 . 1 1 60 60 ASN HA H 1 5.340 0.015 . 1 . . . . . 60 ASN HA . 27400 1 541 . 1 1 60 60 ASN HB2 H 1 2.692 0.000 . . . . . . . 60 ASN HB2 . 27400 1 542 . 1 1 60 60 ASN HB3 H 1 2.432 0.015 . . . . . . . 60 ASN HB3 . 27400 1 543 . 1 1 60 60 ASN C C 13 172.200 0.000 . 1 . . . . . 60 ASN C . 27400 1 544 . 1 1 60 60 ASN CA C 13 54.375 0.056 . 1 . . . . . 60 ASN CA . 27400 1 545 . 1 1 60 60 ASN CB C 13 44.914 0.000 . 1 . . . . . 60 ASN CB . 27400 1 546 . 1 1 60 60 ASN N N 15 121.609 0.067 . 1 . . . . . 60 ASN N . 27400 1 547 . 1 1 61 61 ASP HB2 H 1 2.717 0.000 . . . . . . . 61 ASP HB2 . 27400 1 548 . 1 1 61 61 ASP HB3 H 1 2.717 0.000 . . . . . . . 61 ASP HB3 . 27400 1 549 . 1 1 61 61 ASP C C 13 176.076 0.000 . 1 . . . . . 61 ASP C . 27400 1 550 . 1 1 61 61 ASP CA C 13 51.648 0.071 . 1 . . . . . 61 ASP CA . 27400 1 551 . 1 1 61 61 ASP CB C 13 39.393 0.000 . 1 . . . . . 61 ASP CB . 27400 1 552 . 1 1 62 62 LEU H H 1 8.945 0.004 . 1 . . . . . 62 LEU H . 27400 1 553 . 1 1 62 62 LEU HA H 1 4.270 0.010 . 1 . . . . . 62 LEU HA . 27400 1 554 . 1 1 62 62 LEU HB2 H 1 1.797 0.032 . . . . . . . 62 LEU HB2 . 27400 1 555 . 1 1 62 62 LEU HB3 H 1 1.797 0.032 . . . . . . . 62 LEU HB3 . 27400 1 556 . 1 1 62 62 LEU C C 13 178.143 0.009 . 1 . . . . . 62 LEU C . 27400 1 557 . 1 1 62 62 LEU CA C 13 54.839 0.063 . 1 . . . . . 62 LEU CA . 27400 1 558 . 1 1 62 62 LEU CB C 13 43.014 0.039 . 1 . . . . . 62 LEU CB . 27400 1 559 . 1 1 62 62 LEU CD1 C 13 24.652 0.000 . . . . . . . 62 LEU CD1 . 27400 1 560 . 1 1 62 62 LEU N N 15 121.285 0.079 . 1 . . . . . 62 LEU N . 27400 1 561 . 1 1 63 63 LEU H H 1 8.249 0.004 . 1 . . . . . 63 LEU H . 27400 1 562 . 1 1 63 63 LEU HA H 1 4.447 0.006 . 1 . . . . . 63 LEU HA . 27400 1 563 . 1 1 63 63 LEU HB2 H 1 1.607 0.000 . . . . . . . 63 LEU HB2 . 27400 1 564 . 1 1 63 63 LEU HB3 H 1 1.540 0.022 . . . . . . . 63 LEU HB3 . 27400 1 565 . 1 1 63 63 LEU HG H 1 1.457 0.000 . 1 . . . . . 63 LEU HG . 27400 1 566 . 1 1 63 63 LEU HD11 H 1 0.930 0.000 . . . . . . . 63 LEU MD1 . 27400 1 567 . 1 1 63 63 LEU HD12 H 1 0.930 0.000 . . . . . . . 63 LEU MD1 . 27400 1 568 . 1 1 63 63 LEU HD13 H 1 0.930 0.000 . . . . . . . 63 LEU MD1 . 27400 1 569 . 1 1 63 63 LEU HD21 H 1 0.875 0.007 . . . . . . . 63 LEU MD2 . 27400 1 570 . 1 1 63 63 LEU HD22 H 1 0.875 0.007 . . . . . . . 63 LEU MD2 . 27400 1 571 . 1 1 63 63 LEU HD23 H 1 0.875 0.007 . . . . . . . 63 LEU MD2 . 27400 1 572 . 1 1 63 63 LEU C C 13 175.095 0.007 . 1 . . . . . 63 LEU C . 27400 1 573 . 1 1 63 63 LEU CA C 13 55.124 0.043 . 1 . . . . . 63 LEU CA . 27400 1 574 . 1 1 63 63 LEU CB C 13 41.914 0.053 . 1 . . . . . 63 LEU CB . 27400 1 575 . 1 1 63 63 LEU CG C 13 27.265 0.000 . 1 . . . . . 63 LEU CG . 27400 1 576 . 1 1 63 63 LEU CD1 C 13 23.974 0.887 . . . . . . . 63 LEU CD1 . 27400 1 577 . 1 1 63 63 LEU CD2 C 13 25.175 0.000 . . . . . . . 63 LEU CD2 . 27400 1 578 . 1 1 63 63 LEU N N 15 119.414 0.085 . 1 . . . . . 63 LEU N . 27400 1 579 . 1 1 64 64 PHE H H 1 6.639 0.005 . 1 . . . . . 64 PHE H . 27400 1 580 . 1 1 64 64 PHE HA H 1 3.788 0.013 . 1 . . . . . 64 PHE HA . 27400 1 581 . 1 1 64 64 PHE HB2 H 1 2.893 0.023 . . . . . . . 64 PHE HB2 . 27400 1 582 . 1 1 64 64 PHE HB3 H 1 2.821 0.015 . . . . . . . 64 PHE HB3 . 27400 1 583 . 1 1 64 64 PHE HD1 H 1 6.946 0.000 . . . . . . . 64 PHE HD1 . 27400 1 584 . 1 1 64 64 PHE HD2 H 1 6.946 0.000 . . . . . . . 64 PHE HD2 . 27400 1 585 . 1 1 64 64 PHE HE1 H 1 7.208 0.021 . . . . . . . 64 PHE HE1 . 27400 1 586 . 1 1 64 64 PHE HE2 H 1 7.208 0.021 . . . . . . . 64 PHE HE2 . 27400 1 587 . 1 1 64 64 PHE HZ H 1 6.897 0.007 . 1 . . . . . 64 PHE HZ . 27400 1 588 . 1 1 64 64 PHE C C 13 174.728 0.016 . 1 . . . . . 64 PHE C . 27400 1 589 . 1 1 64 64 PHE CA C 13 54.147 0.069 . 1 . . . . . 64 PHE CA . 27400 1 590 . 1 1 64 64 PHE CB C 13 40.662 0.061 . 1 . . . . . 64 PHE CB . 27400 1 591 . 1 1 64 64 PHE N N 15 112.331 0.038 . 1 . . . . . 64 PHE N . 27400 1 592 . 1 1 65 65 CYS H H 1 8.420 0.009 . 1 . . . . . 65 CYS H . 27400 1 593 . 1 1 65 65 CYS HA H 1 4.457 0.014 . 1 . . . . . 65 CYS HA . 27400 1 594 . 1 1 65 65 CYS HB2 H 1 3.267 0.002 . . . . . . . 65 CYS HB2 . 27400 1 595 . 1 1 65 65 CYS HB3 H 1 2.985 0.010 . . . . . . . 65 CYS HB3 . 27400 1 596 . 1 1 65 65 CYS C C 13 172.521 0.129 . 1 . . . . . 65 CYS C . 27400 1 597 . 1 1 65 65 CYS CA C 13 57.753 0.066 . 1 . . . . . 65 CYS CA . 27400 1 598 . 1 1 65 65 CYS CB C 13 46.504 0.063 . 1 . . . . . 65 CYS CB . 27400 1 599 . 1 1 65 65 CYS N N 15 117.639 0.050 . 1 . . . . . 65 CYS N . 27400 1 600 . 1 1 66 66 LEU H H 1 8.790 0.003 . 1 . . . . . 66 LEU H . 27400 1 601 . 1 1 66 66 LEU HA H 1 4.221 0.009 . 1 . . . . . 66 LEU HA . 27400 1 602 . 1 1 66 66 LEU HB2 H 1 1.609 0.000 . . . . . . . 66 LEU HB2 . 27400 1 603 . 1 1 66 66 LEU HB3 H 1 1.577 0.000 . . . . . . . 66 LEU HB3 . 27400 1 604 . 1 1 66 66 LEU HG H 1 1.369 0.000 . 1 . . . . . 66 LEU HG . 27400 1 605 . 1 1 66 66 LEU HD11 H 1 0.879 0.000 . . . . . . . 66 LEU MD1 . 27400 1 606 . 1 1 66 66 LEU HD12 H 1 0.879 0.000 . . . . . . . 66 LEU MD1 . 27400 1 607 . 1 1 66 66 LEU HD13 H 1 0.879 0.000 . . . . . . . 66 LEU MD1 . 27400 1 608 . 1 1 66 66 LEU HD21 H 1 0.876 0.005 . . . . . . . 66 LEU MD2 . 27400 1 609 . 1 1 66 66 LEU HD22 H 1 0.876 0.005 . . . . . . . 66 LEU MD2 . 27400 1 610 . 1 1 66 66 LEU HD23 H 1 0.876 0.005 . . . . . . . 66 LEU MD2 . 27400 1 611 . 1 1 66 66 LEU C C 13 175.897 0.023 . 1 . . . . . 66 LEU C . 27400 1 612 . 1 1 66 66 LEU CA C 13 54.483 0.077 . 1 . . . . . 66 LEU CA . 27400 1 613 . 1 1 66 66 LEU CB C 13 41.011 0.000 . 1 . . . . . 66 LEU CB . 27400 1 614 . 1 1 66 66 LEU CG C 13 25.223 0.000 . 1 . . . . . 66 LEU CG . 27400 1 615 . 1 1 66 66 LEU CD1 C 13 23.140 0.074 . . . . . . . 66 LEU CD1 . 27400 1 616 . 1 1 66 66 LEU CD2 C 13 23.247 0.000 . . . . . . . 66 LEU CD2 . 27400 1 617 . 1 1 66 66 LEU N N 15 124.005 0.053 . 1 . . . . . 66 LEU N . 27400 1 618 . 1 1 67 67 ARG H H 1 8.373 0.004 . 1 . . . . . 67 ARG H . 27400 1 619 . 1 1 67 67 ARG HA H 1 4.221 0.003 . 1 . . . . . 67 ARG HA . 27400 1 620 . 1 1 67 67 ARG HB2 H 1 1.819 0.005 . . . . . . . 67 ARG HB2 . 27400 1 621 . 1 1 67 67 ARG HB3 H 1 1.750 0.000 . . . . . . . 67 ARG HB3 . 27400 1 622 . 1 1 67 67 ARG HD2 H 1 3.224 0.000 . . . . . . . 67 ARG HD2 . 27400 1 623 . 1 1 67 67 ARG HD3 H 1 3.145 0.000 . . . . . . . 67 ARG HD3 . 27400 1 624 . 1 1 67 67 ARG C C 13 177.716 0.000 . 1 . . . . . 67 ARG C . 27400 1 625 . 1 1 67 67 ARG CA C 13 57.215 0.049 . 1 . . . . . 67 ARG CA . 27400 1 626 . 1 1 67 67 ARG N N 15 120.045 0.070 . 1 . . . . . 67 ARG N . 27400 1 627 . 1 1 69 69 THR H H 1 10.115 . . 1 . . . . . 69 THR H . 27400 1 628 . 1 1 69 69 THR HA H 1 4.258 0.014 . 1 . . . . . 69 THR HA . 27400 1 629 . 1 1 69 69 THR HB H 1 3.993 0.006 . 1 . . . . . 69 THR HB . 27400 1 630 . 1 1 69 69 THR HG21 H 1 1.221 0.001 . 1 . . . . . 69 THR MG . 27400 1 631 . 1 1 69 69 THR HG22 H 1 1.221 0.001 . 1 . . . . . 69 THR MG . 27400 1 632 . 1 1 69 69 THR HG23 H 1 1.221 0.001 . 1 . . . . . 69 THR MG . 27400 1 633 . 1 1 69 69 THR C C 13 174.345 0.000 . 1 . . . . . 69 THR C . 27400 1 634 . 1 1 69 69 THR CA C 13 63.274 0.097 . 1 . . . . . 69 THR CA . 27400 1 635 . 1 1 69 69 THR CB C 13 69.838 0.089 . 1 . . . . . 69 THR CB . 27400 1 636 . 1 1 69 69 THR CG2 C 13 22.020 0.060 . 1 . . . . . 69 THR CG2 . 27400 1 637 . 1 1 69 69 THR N N 15 122.492 . . 1 . . . . . 69 THR N . 27400 1 638 . 1 1 70 70 ARG H H 1 8.790 0.007 . 1 . . . . . 70 ARG H . 27400 1 639 . 1 1 70 70 ARG HA H 1 4.643 0.005 . 1 . . . . . 70 ARG HA . 27400 1 640 . 1 1 70 70 ARG HB2 H 1 1.849 0.016 . . . . . . . 70 ARG HB2 . 27400 1 641 . 1 1 70 70 ARG HB3 H 1 1.764 0.016 . . . . . . . 70 ARG HB3 . 27400 1 642 . 1 1 70 70 ARG HG2 H 1 1.624 0.000 . . . . . . . 70 ARG HG2 . 27400 1 643 . 1 1 70 70 ARG HG3 H 1 1.624 0.000 . . . . . . . 70 ARG HG3 . 27400 1 644 . 1 1 70 70 ARG HD2 H 1 3.213 0.000 . . . . . . . 70 ARG HD2 . 27400 1 645 . 1 1 70 70 ARG HD3 H 1 3.156 0.000 . . . . . . . 70 ARG HD3 . 27400 1 646 . 1 1 70 70 ARG C C 13 175.954 0.002 . 1 . . . . . 70 ARG C . 27400 1 647 . 1 1 70 70 ARG CA C 13 54.268 0.049 . 1 . . . . . 70 ARG CA . 27400 1 648 . 1 1 70 70 ARG CB C 13 31.071 0.062 . 1 . . . . . 70 ARG CB . 27400 1 649 . 1 1 70 70 ARG CG C 13 26.994 0.000 . 1 . . . . . 70 ARG CG . 27400 1 650 . 1 1 70 70 ARG N N 15 127.020 0.046 . 1 . . . . . 70 ARG N . 27400 1 651 . 1 1 71 71 CYS H H 1 8.939 0.007 . 1 . . . . . 71 CYS H . 27400 1 652 . 1 1 71 71 CYS HA H 1 4.098 0.000 . 1 . . . . . 71 CYS HA . 27400 1 653 . 1 1 71 71 CYS C C 13 174.753 0.017 . 1 . . . . . 71 CYS C . 27400 1 654 . 1 1 71 71 CYS CA C 13 53.367 0.006 . 1 . . . . . 71 CYS CA . 27400 1 655 . 1 1 71 71 CYS CB C 13 35.112 0.000 . 1 . . . . . 71 CYS CB . 27400 1 656 . 1 1 71 71 CYS N N 15 123.280 0.073 . 1 . . . . . 71 CYS N . 27400 1 657 . 1 1 72 72 ASP H H 1 9.077 0.007 . 1 . . . . . 72 ASP H . 27400 1 658 . 1 1 72 72 ASP HA H 1 4.721 0.005 . 1 . . . . . 72 ASP HA . 27400 1 659 . 1 1 72 72 ASP HB2 H 1 2.711 0.015 . . . . . . . 72 ASP HB2 . 27400 1 660 . 1 1 72 72 ASP HB3 H 1 2.560 0.023 . . . . . . . 72 ASP HB3 . 27400 1 661 . 1 1 72 72 ASP C C 13 176.492 0.004 . 1 . . . . . 72 ASP C . 27400 1 662 . 1 1 72 72 ASP CA C 13 53.331 0.024 . 1 . . . . . 72 ASP CA . 27400 1 663 . 1 1 72 72 ASP CB C 13 42.902 0.100 . 1 . . . . . 72 ASP CB . 27400 1 664 . 1 1 72 72 ASP N N 15 125.289 0.053 . 1 . . . . . 72 ASP N . 27400 1 665 . 1 1 73 73 SER H H 1 8.712 0.009 . 1 . . . . . 73 SER H . 27400 1 666 . 1 1 73 73 SER HA H 1 4.213 0.010 . 1 . . . . . 73 SER HA . 27400 1 667 . 1 1 73 73 SER HB2 H 1 3.888 0.013 . . . . . . . 73 SER HB2 . 27400 1 668 . 1 1 73 73 SER HB3 H 1 3.888 0.013 . . . . . . . 73 SER HB3 . 27400 1 669 . 1 1 73 73 SER C C 13 175.450 0.000 . 1 . . . . . 73 SER C . 27400 1 670 . 1 1 73 73 SER CA C 13 60.281 0.051 . 1 . . . . . 73 SER CA . 27400 1 671 . 1 1 73 73 SER CB C 13 62.774 0.026 . 1 . . . . . 73 SER CB . 27400 1 672 . 1 1 73 73 SER N N 15 114.660 0.053 . 1 . . . . . 73 SER N . 27400 1 673 . 1 1 74 74 GLY H H 1 8.751 0.005 . 1 . . . . . 74 GLY H . 27400 1 674 . 1 1 74 74 GLY HA2 H 1 4.093 0.024 . . . . . . . 74 GLY HA2 . 27400 1 675 . 1 1 74 74 GLY HA3 H 1 3.800 0.000 . . . . . . . 74 GLY HA3 . 27400 1 676 . 1 1 74 74 GLY C C 13 173.484 0.021 . 1 . . . . . 74 GLY C . 27400 1 677 . 1 1 74 74 GLY CA C 13 45.002 0.025 . 1 . . . . . 74 GLY CA . 27400 1 678 . 1 1 74 74 GLY N N 15 112.391 0.045 . 1 . . . . . 74 GLY N . 27400 1 679 . 1 1 75 75 GLU H H 1 7.910 0.004 . 1 . . . . . 75 GLU H . 27400 1 680 . 1 1 75 75 GLU HA H 1 4.848 0.000 . 1 . . . . . 75 GLU HA . 27400 1 681 . 1 1 75 75 GLU HB2 H 1 2.247 0.000 . . . . . . . 75 GLU HB2 . 27400 1 682 . 1 1 75 75 GLU HB3 H 1 2.247 0.000 . . . . . . . 75 GLU HB3 . 27400 1 683 . 1 1 75 75 GLU C C 13 175.782 0.024 . 1 . . . . . 75 GLU C . 27400 1 684 . 1 1 75 75 GLU CA C 13 54.470 0.000 . 1 . . . . . 75 GLU CA . 27400 1 685 . 1 1 75 75 GLU N N 15 118.282 0.066 . 1 . . . . . 75 GLU N . 27400 1 686 . 1 1 76 76 VAL HA H 1 4.369 0.003 . 1 . . . . . 76 VAL HA . 27400 1 687 . 1 1 76 76 VAL HB H 1 2.004 0.001 . 1 . . . . . 76 VAL HB . 27400 1 688 . 1 1 76 76 VAL HG11 H 1 0.845 0.000 . . . . . . . 76 VAL MG1 . 27400 1 689 . 1 1 76 76 VAL HG12 H 1 0.845 0.000 . . . . . . . 76 VAL MG1 . 27400 1 690 . 1 1 76 76 VAL HG13 H 1 0.845 0.000 . . . . . . . 76 VAL MG1 . 27400 1 691 . 1 1 76 76 VAL HG21 H 1 0.864 0.000 . . . . . . . 76 VAL MG2 . 27400 1 692 . 1 1 76 76 VAL HG22 H 1 0.864 0.000 . . . . . . . 76 VAL MG2 . 27400 1 693 . 1 1 76 76 VAL HG23 H 1 0.864 0.000 . . . . . . . 76 VAL MG2 . 27400 1 694 . 1 1 76 76 VAL C C 13 174.623 0.027 . 1 . . . . . 76 VAL C . 27400 1 695 . 1 1 76 76 VAL CA C 13 59.801 0.053 . 1 . . . . . 76 VAL CA . 27400 1 696 . 1 1 76 76 VAL CB C 13 34.742 0.042 . 1 . . . . . 76 VAL CB . 27400 1 697 . 1 1 76 76 VAL CG1 C 13 20.738 0.000 . . . . . . . 76 VAL CG1 . 27400 1 698 . 1 1 76 76 VAL CG2 C 13 20.992 0.000 . . . . . . . 76 VAL CG2 . 27400 1 699 . 1 1 77 77 GLU H H 1 8.579 0.004 . 1 . . . . . 77 GLU H . 27400 1 700 . 1 1 77 77 GLU HA H 1 4.603 0.006 . 1 . . . . . 77 GLU HA . 27400 1 701 . 1 1 77 77 GLU HB2 H 1 2.301 0.000 . . . . . . . 77 GLU HB2 . 27400 1 702 . 1 1 77 77 GLU HB3 H 1 1.926 0.001 . . . . . . . 77 GLU HB3 . 27400 1 703 . 1 1 77 77 GLU C C 13 175.985 0.008 . 1 . . . . . 77 GLU C . 27400 1 704 . 1 1 77 77 GLU CA C 13 56.581 0.064 . 1 . . . . . 77 GLU CA . 27400 1 705 . 1 1 77 77 GLU CG C 13 37.465 0.000 . 1 . . . . . 77 GLU CG . 27400 1 706 . 1 1 77 77 GLU N N 15 125.280 0.048 . 1 . . . . . 77 GLU N . 27400 1 707 . 1 1 78 78 LEU H H 1 9.039 0.007 . 1 . . . . . 78 LEU H . 27400 1 708 . 1 1 78 78 LEU HA H 1 4.350 0.007 . 1 . . . . . 78 LEU HA . 27400 1 709 . 1 1 78 78 LEU HB2 H 1 1.682 0.000 . . . . . . . 78 LEU HB2 . 27400 1 710 . 1 1 78 78 LEU HB3 H 1 1.617 0.004 . . . . . . . 78 LEU HB3 . 27400 1 711 . 1 1 78 78 LEU HG H 1 1.437 0.000 . 1 . . . . . 78 LEU HG . 27400 1 712 . 1 1 78 78 LEU HD11 H 1 0.898 0.036 . . . . . . . 78 LEU MD1 . 27400 1 713 . 1 1 78 78 LEU HD12 H 1 0.898 0.036 . . . . . . . 78 LEU MD1 . 27400 1 714 . 1 1 78 78 LEU HD13 H 1 0.898 0.036 . . . . . . . 78 LEU MD1 . 27400 1 715 . 1 1 78 78 LEU HD21 H 1 0.898 0.036 . . . . . . . 78 LEU MD2 . 27400 1 716 . 1 1 78 78 LEU HD22 H 1 0.898 0.036 . . . . . . . 78 LEU MD2 . 27400 1 717 . 1 1 78 78 LEU HD23 H 1 0.898 0.036 . . . . . . . 78 LEU MD2 . 27400 1 718 . 1 1 78 78 LEU C C 13 177.653 0.000 . 1 . . . . . 78 LEU C . 27400 1 719 . 1 1 78 78 LEU CA C 13 56.262 0.073 . 1 . . . . . 78 LEU CA . 27400 1 720 . 1 1 78 78 LEU CB C 13 43.048 0.002 . 1 . . . . . 78 LEU CB . 27400 1 721 . 1 1 78 78 LEU N N 15 131.379 0.037 . 1 . . . . . 78 LEU N . 27400 1 722 . 1 1 79 79 SER H H 1 7.561 0.006 . 1 . . . . . 79 SER H . 27400 1 723 . 1 1 79 79 SER HA H 1 4.848 0.000 . 1 . . . . . 79 SER HA . 27400 1 724 . 1 1 79 79 SER HB2 H 1 3.764 0.003 . . . . . . . 79 SER HB2 . 27400 1 725 . 1 1 79 79 SER HB3 H 1 3.764 0.003 . . . . . . . 79 SER HB3 . 27400 1 726 . 1 1 79 79 SER C C 13 171.245 0.000 . 1 . . . . . 79 SER C . 27400 1 727 . 1 1 79 79 SER CA C 13 55.353 0.000 . 1 . . . . . 79 SER CA . 27400 1 728 . 1 1 79 79 SER CB C 13 64.194 0.089 . 1 . . . . . 79 SER CB . 27400 1 729 . 1 1 79 79 SER N N 15 111.719 0.078 . 1 . . . . . 79 SER N . 27400 1 730 . 1 1 80 80 PRO HA H 1 4.597 0.020 . 1 . . . . . 80 PRO HA . 27400 1 731 . 1 1 80 80 PRO HB2 H 1 1.991 0.000 . . . . . . . 80 PRO HB2 . 27400 1 732 . 1 1 80 80 PRO HB3 H 1 1.956 0.023 . . . . . . . 80 PRO HB3 . 27400 1 733 . 1 1 80 80 PRO HG2 H 1 2.013 0.000 . . . . . . . 80 PRO HG2 . 27400 1 734 . 1 1 80 80 PRO HG3 H 1 1.882 0.035 . . . . . . . 80 PRO HG3 . 27400 1 735 . 1 1 80 80 PRO HD2 H 1 3.750 0.012 . . . . . . . 80 PRO HD2 . 27400 1 736 . 1 1 80 80 PRO HD3 H 1 3.690 0.000 . . . . . . . 80 PRO HD3 . 27400 1 737 . 1 1 80 80 PRO C C 13 176.268 0.000 . 1 . . . . . 80 PRO C . 27400 1 738 . 1 1 80 80 PRO CA C 13 61.907 0.020 . 1 . . . . . 80 PRO CA . 27400 1 739 . 1 1 80 80 PRO CB C 13 32.409 0.008 . 1 . . . . . 80 PRO CB . 27400 1 740 . 1 1 80 80 PRO CG C 13 26.272 0.241 . 1 . . . . . 80 PRO CG . 27400 1 741 . 1 1 80 80 PRO CD C 13 50.819 0.024 . 1 . . . . . 80 PRO CD . 27400 1 742 . 1 1 81 81 CYS H H 1 8.593 0.004 . 1 . . . . . 81 CYS H . 27400 1 743 . 1 1 81 81 CYS HA H 1 4.646 0.000 . 1 . . . . . 81 CYS HA . 27400 1 744 . 1 1 81 81 CYS C C 13 174.308 0.000 . 1 . . . . . 81 CYS C . 27400 1 745 . 1 1 81 81 CYS CA C 13 57.731 0.062 . 1 . . . . . 81 CYS CA . 27400 1 746 . 1 1 81 81 CYS N N 15 121.855 0.036 . 1 . . . . . 81 CYS N . 27400 1 747 . 1 1 82 82 THR H H 1 9.068 0.011 . 1 . . . . . 82 THR H . 27400 1 748 . 1 1 82 82 THR HA H 1 4.451 0.031 . 1 . . . . . 82 THR HA . 27400 1 749 . 1 1 82 82 THR HB H 1 4.128 0.000 . 1 . . . . . 82 THR HB . 27400 1 750 . 1 1 82 82 THR HG21 H 1 1.229 0.017 . 1 . . . . . 82 THR MG . 27400 1 751 . 1 1 82 82 THR HG22 H 1 1.229 0.017 . 1 . . . . . 82 THR MG . 27400 1 752 . 1 1 82 82 THR HG23 H 1 1.229 0.017 . 1 . . . . . 82 THR MG . 27400 1 753 . 1 1 82 82 THR C C 13 175.669 0.021 . 1 . . . . . 82 THR C . 27400 1 754 . 1 1 82 82 THR CA C 13 59.690 0.014 . 1 . . . . . 82 THR CA . 27400 1 755 . 1 1 82 82 THR CB C 13 70.547 0.000 . 1 . . . . . 82 THR CB . 27400 1 756 . 1 1 82 82 THR N N 15 118.858 0.057 . 1 . . . . . 82 THR N . 27400 1 757 . 1 1 83 83 THR H H 1 7.897 0.009 . 1 . . . . . 83 THR H . 27400 1 758 . 1 1 83 83 THR HA H 1 4.360 0.036 . 1 . . . . . 83 THR HA . 27400 1 759 . 1 1 83 83 THR HB H 1 4.308 0.046 . 1 . . . . . 83 THR HB . 27400 1 760 . 1 1 83 83 THR HG21 H 1 1.234 0.010 . 1 . . . . . 83 THR MG . 27400 1 761 . 1 1 83 83 THR HG22 H 1 1.234 0.010 . 1 . . . . . 83 THR MG . 27400 1 762 . 1 1 83 83 THR HG23 H 1 1.234 0.010 . 1 . . . . . 83 THR MG . 27400 1 763 . 1 1 83 83 THR C C 13 175.635 0.023 . 1 . . . . . 83 THR C . 27400 1 764 . 1 1 83 83 THR CA C 13 65.205 0.115 . 1 . . . . . 83 THR CA . 27400 1 765 . 1 1 83 83 THR CB C 13 68.315 0.190 . 1 . . . . . 83 THR CB . 27400 1 766 . 1 1 83 83 THR CG2 C 13 22.986 0.112 . 1 . . . . . 83 THR CG2 . 27400 1 767 . 1 1 83 83 THR N N 15 104.990 0.067 . 1 . . . . . 83 THR N . 27400 1 768 . 1 1 84 84 THR H H 1 7.612 0.006 . 1 . . . . . 84 THR H . 27400 1 769 . 1 1 84 84 THR HA H 1 5.005 0.017 . 1 . . . . . 84 THR HA . 27400 1 770 . 1 1 84 84 THR HB H 1 4.538 0.003 . 1 . . . . . 84 THR HB . 27400 1 771 . 1 1 84 84 THR HG21 H 1 1.020 0.021 . 1 . . . . . 84 THR MG . 27400 1 772 . 1 1 84 84 THR HG22 H 1 1.020 0.021 . 1 . . . . . 84 THR MG . 27400 1 773 . 1 1 84 84 THR HG23 H 1 1.020 0.021 . 1 . . . . . 84 THR MG . 27400 1 774 . 1 1 84 84 THR C C 13 173.973 0.012 . 1 . . . . . 84 THR C . 27400 1 775 . 1 1 84 84 THR CA C 13 60.196 0.074 . 1 . . . . . 84 THR CA . 27400 1 776 . 1 1 84 84 THR CB C 13 69.962 0.061 . 1 . . . . . 84 THR CB . 27400 1 777 . 1 1 84 84 THR CG2 C 13 19.878 0.271 . 1 . . . . . 84 THR CG2 . 27400 1 778 . 1 1 84 84 THR N N 15 106.062 0.061 . 1 . . . . . 84 THR N . 27400 1 779 . 1 1 85 85 ARG H H 1 7.272 0.004 . 1 . . . . . 85 ARG H . 27400 1 780 . 1 1 85 85 ARG HA H 1 4.178 0.005 . 1 . . . . . 85 ARG HA . 27400 1 781 . 1 1 85 85 ARG HB2 H 1 1.983 0.000 . . . . . . . 85 ARG HB2 . 27400 1 782 . 1 1 85 85 ARG HB3 H 1 1.853 0.000 . . . . . . . 85 ARG HB3 . 27400 1 783 . 1 1 85 85 ARG HG2 H 1 1.479 0.000 . . . . . . . 85 ARG HG2 . 27400 1 784 . 1 1 85 85 ARG HG3 H 1 1.479 0.000 . . . . . . . 85 ARG HG3 . 27400 1 785 . 1 1 85 85 ARG HE H 1 7.207 0.004 . 1 . . . . . 85 ARG HE . 27400 1 786 . 1 1 85 85 ARG C C 13 172.027 0.011 . 1 . . . . . 85 ARG C . 27400 1 787 . 1 1 85 85 ARG CA C 13 56.095 0.063 . 1 . . . . . 85 ARG CA . 27400 1 788 . 1 1 85 85 ARG CB C 13 33.612 0.013 . 1 . . . . . 85 ARG CB . 27400 1 789 . 1 1 85 85 ARG N N 15 123.599 0.056 . 1 . . . . . 85 ARG N . 27400 1 790 . 1 1 85 85 ARG NE N 15 85.915 0.000 . 1 . . . . . 85 ARG NE . 27400 1 791 . 1 1 86 86 ASN H H 1 7.587 0.004 . 1 . . . . . 86 ASN H . 27400 1 792 . 1 1 86 86 ASN HA H 1 4.205 0.000 . 1 . . . . . 86 ASN HA . 27400 1 793 . 1 1 86 86 ASN HB2 H 1 2.379 0.000 . . . . . . . 86 ASN HB2 . 27400 1 794 . 1 1 86 86 ASN HB3 H 1 2.379 0.000 . . . . . . . 86 ASN HB3 . 27400 1 795 . 1 1 86 86 ASN C C 13 175.443 0.001 . 1 . . . . . 86 ASN C . 27400 1 796 . 1 1 86 86 ASN CA C 13 51.464 0.063 . 1 . . . . . 86 ASN CA . 27400 1 797 . 1 1 86 86 ASN N N 15 120.881 0.061 . 1 . . . . . 86 ASN N . 27400 1 798 . 1 1 88 88 VAL C C 13 175.103 0.000 . 1 . . . . . 88 VAL C . 27400 1 799 . 1 1 88 88 VAL CA C 13 62.607 0.017 . 1 . . . . . 88 VAL CA . 27400 1 800 . 1 1 89 89 CYS H H 1 8.780 0.002 . 1 . . . . . 89 CYS H . 27400 1 801 . 1 1 89 89 CYS HA H 1 5.427 0.023 . 1 . . . . . 89 CYS HA . 27400 1 802 . 1 1 89 89 CYS HB2 H 1 2.737 0.000 . . . . . . . 89 CYS HB2 . 27400 1 803 . 1 1 89 89 CYS HB3 H 1 2.737 0.000 . . . . . . . 89 CYS HB3 . 27400 1 804 . 1 1 89 89 CYS C C 13 173.856 0.003 . 1 . . . . . 89 CYS C . 27400 1 805 . 1 1 89 89 CYS CA C 13 53.439 0.101 . 1 . . . . . 89 CYS CA . 27400 1 806 . 1 1 89 89 CYS CB C 13 43.129 0.024 . 1 . . . . . 89 CYS CB . 27400 1 807 . 1 1 89 89 CYS N N 15 126.967 0.058 . 1 . . . . . 89 CYS N . 27400 1 808 . 1 1 90 90 GLN H H 1 9.127 0.005 . 1 . . . . . 90 GLN H . 27400 1 809 . 1 1 90 90 GLN HB2 H 1 1.952 0.000 . . . . . . . 90 GLN HB2 . 27400 1 810 . 1 1 90 90 GLN HB3 H 1 1.952 0.000 . . . . . . . 90 GLN HB3 . 27400 1 811 . 1 1 90 90 GLN C C 13 174.434 0.000 . 1 . . . . . 90 GLN C . 27400 1 812 . 1 1 90 90 GLN CA C 13 54.497 0.000 . 1 . . . . . 90 GLN CA . 27400 1 813 . 1 1 90 90 GLN N N 15 121.060 0.058 . 1 . . . . . 90 GLN N . 27400 1 814 . 1 1 91 91 CYS HA H 1 4.462 0.000 . 1 . . . . . 91 CYS HA . 27400 1 815 . 1 1 91 91 CYS HB2 H 1 3.890 0.000 . . . . . . . 91 CYS HB2 . 27400 1 816 . 1 1 91 91 CYS HB3 H 1 3.890 0.000 . . . . . . . 91 CYS HB3 . 27400 1 817 . 1 1 91 91 CYS C C 13 174.667 0.000 . 1 . . . . . 91 CYS C . 27400 1 818 . 1 1 92 92 GLU H H 1 7.880 0.006 . 1 . . . . . 92 GLU H . 27400 1 819 . 1 1 92 92 GLU HA H 1 4.058 0.019 . 1 . . . . . 92 GLU HA . 27400 1 820 . 1 1 92 92 GLU HB2 H 1 1.917 0.024 . . . . . . . 92 GLU HB2 . 27400 1 821 . 1 1 92 92 GLU HB3 H 1 1.917 0.024 . . . . . . . 92 GLU HB3 . 27400 1 822 . 1 1 92 92 GLU C C 13 175.512 0.013 . 1 . . . . . 92 GLU C . 27400 1 823 . 1 1 92 92 GLU CA C 13 56.134 0.225 . 1 . . . . . 92 GLU CA . 27400 1 824 . 1 1 92 92 GLU CB C 13 32.689 0.000 . 1 . . . . . 92 GLU CB . 27400 1 825 . 1 1 92 92 GLU CG C 13 35.762 0.000 . 1 . . . . . 92 GLU CG . 27400 1 826 . 1 1 92 92 GLU N N 15 119.831 0.105 . 1 . . . . . 92 GLU N . 27400 1 827 . 1 1 93 93 GLU H H 1 8.695 0.005 . 1 . . . . . 93 GLU H . 27400 1 828 . 1 1 93 93 GLU HA H 1 4.077 0.013 . 1 . . . . . 93 GLU HA . 27400 1 829 . 1 1 93 93 GLU HB2 H 1 1.978 0.014 . . . . . . . 93 GLU HB2 . 27400 1 830 . 1 1 93 93 GLU HB3 H 1 1.978 0.014 . . . . . . . 93 GLU HB3 . 27400 1 831 . 1 1 93 93 GLU HG2 H 1 2.287 0.007 . . . . . . . 93 GLU HG2 . 27400 1 832 . 1 1 93 93 GLU HG3 H 1 2.287 0.007 . . . . . . . 93 GLU HG3 . 27400 1 833 . 1 1 93 93 GLU C C 13 176.642 0.010 . 1 . . . . . 93 GLU C . 27400 1 834 . 1 1 93 93 GLU CA C 13 58.452 0.063 . 1 . . . . . 93 GLU CA . 27400 1 835 . 1 1 93 93 GLU CB C 13 29.866 0.108 . 1 . . . . . 93 GLU CB . 27400 1 836 . 1 1 93 93 GLU CG C 13 35.881 0.000 . 1 . . . . . 93 GLU CG . 27400 1 837 . 1 1 93 93 GLU N N 15 123.038 0.072 . 1 . . . . . 93 GLU N . 27400 1 838 . 1 1 94 94 GLY H H 1 8.630 0.005 . 1 . . . . . 94 GLY H . 27400 1 839 . 1 1 94 94 GLY HA2 H 1 3.983 0.000 . . . . . . . 94 GLY HA2 . 27400 1 840 . 1 1 94 94 GLY HA3 H 1 3.983 0.000 . . . . . . . 94 GLY HA3 . 27400 1 841 . 1 1 94 94 GLY C C 13 174.134 0.000 . 1 . . . . . 94 GLY C . 27400 1 842 . 1 1 94 94 GLY CA C 13 45.366 0.183 . 1 . . . . . 94 GLY CA . 27400 1 843 . 1 1 94 94 GLY N N 15 113.317 0.052 . 1 . . . . . 94 GLY N . 27400 1 844 . 1 1 95 95 THR H H 1 7.909 0.009 . 1 . . . . . 95 THR H . 27400 1 845 . 1 1 95 95 THR HA H 1 4.308 0.003 . 1 . . . . . 95 THR HA . 27400 1 846 . 1 1 95 95 THR HB H 1 4.120 0.007 . 1 . . . . . 95 THR HB . 27400 1 847 . 1 1 95 95 THR HG21 H 1 1.134 0.000 . 1 . . . . . 95 THR MG . 27400 1 848 . 1 1 95 95 THR HG22 H 1 1.134 0.000 . 1 . . . . . 95 THR MG . 27400 1 849 . 1 1 95 95 THR HG23 H 1 1.134 0.000 . 1 . . . . . 95 THR MG . 27400 1 850 . 1 1 95 95 THR C C 13 174.133 0.000 . 1 . . . . . 95 THR C . 27400 1 851 . 1 1 95 95 THR CA C 13 61.993 0.056 . 1 . . . . . 95 THR CA . 27400 1 852 . 1 1 95 95 THR CB C 13 69.802 0.060 . 1 . . . . . 95 THR CB . 27400 1 853 . 1 1 95 95 THR N N 15 113.356 0.042 . 1 . . . . . 95 THR N . 27400 1 854 . 1 1 97 97 ARG HA H 1 4.262 0.000 . 1 . . . . . 97 ARG HA . 27400 1 855 . 1 1 97 97 ARG HB2 H 1 1.730 0.014 . . . . . . . 97 ARG HB2 . 27400 1 856 . 1 1 97 97 ARG HB3 H 1 1.730 0.014 . . . . . . . 97 ARG HB3 . 27400 1 857 . 1 1 97 97 ARG HG2 H 1 1.415 0.006 . . . . . . . 97 ARG HG2 . 27400 1 858 . 1 1 97 97 ARG HG3 H 1 1.374 0.000 . . . . . . . 97 ARG HG3 . 27400 1 859 . 1 1 97 97 ARG HD2 H 1 3.149 0.000 . . . . . . . 97 ARG HD2 . 27400 1 860 . 1 1 97 97 ARG HD3 H 1 3.116 0.009 . . . . . . . 97 ARG HD3 . 27400 1 861 . 1 1 97 97 ARG C C 13 174.552 0.000 . 1 . . . . . 97 ARG C . 27400 1 862 . 1 1 97 97 ARG CA C 13 55.546 0.034 . 1 . . . . . 97 ARG CA . 27400 1 863 . 1 1 97 97 ARG CB C 13 33.512 0.063 . 1 . . . . . 97 ARG CB . 27400 1 864 . 1 1 97 97 ARG CG C 13 26.558 0.023 . 1 . . . . . 97 ARG CG . 27400 1 865 . 1 1 97 97 ARG CD C 13 43.499 0.048 . 1 . . . . . 97 ARG CD . 27400 1 866 . 1 1 98 98 GLU H H 1 8.777 0.006 . 1 . . . . . 98 GLU H . 27400 1 867 . 1 1 98 98 GLU HA H 1 4.697 0.019 . 1 . . . . . 98 GLU HA . 27400 1 868 . 1 1 98 98 GLU HB2 H 1 2.238 0.016 . . . . . . . 98 GLU HB2 . 27400 1 869 . 1 1 98 98 GLU HB3 H 1 2.139 0.000 . . . . . . . 98 GLU HB3 . 27400 1 870 . 1 1 98 98 GLU HG2 H 1 2.539 0.000 . . . . . . . 98 GLU HG2 . 27400 1 871 . 1 1 98 98 GLU HG3 H 1 2.520 0.012 . . . . . . . 98 GLU HG3 . 27400 1 872 . 1 1 98 98 GLU C C 13 177.444 0.007 . 1 . . . . . 98 GLU C . 27400 1 873 . 1 1 98 98 GLU CA C 13 56.449 0.011 . 1 . . . . . 98 GLU CA . 27400 1 874 . 1 1 98 98 GLU CB C 13 30.807 0.081 . 1 . . . . . 98 GLU CB . 27400 1 875 . 1 1 98 98 GLU CG C 13 37.069 0.072 . 1 . . . . . 98 GLU CG . 27400 1 876 . 1 1 98 98 GLU N N 15 124.421 0.086 . 1 . . . . . 98 GLU N . 27400 1 877 . 1 1 99 99 GLU H H 1 8.954 0.012 . 1 . . . . . 99 GLU H . 27400 1 878 . 1 1 99 99 GLU HA H 1 4.127 0.004 . 1 . . . . . 99 GLU HA . 27400 1 879 . 1 1 99 99 GLU HB2 H 1 2.023 0.000 . . . . . . . 99 GLU HB2 . 27400 1 880 . 1 1 99 99 GLU HB3 H 1 2.004 0.010 . . . . . . . 99 GLU HB3 . 27400 1 881 . 1 1 99 99 GLU C C 13 177.189 . . 1 . . . . . 99 GLU C . 27400 1 882 . 1 1 99 99 GLU CA C 13 58.849 0.055 . 1 . . . . . 99 GLU CA . 27400 1 883 . 1 1 99 99 GLU CB C 13 29.846 0.077 . 1 . . . . . 99 GLU CB . 27400 1 884 . 1 1 99 99 GLU CG C 13 36.124 0.004 . 1 . . . . . 99 GLU CG . 27400 1 885 . 1 1 99 99 GLU N N 15 123.158 0.062 . 1 . . . . . 99 GLU N . 27400 1 886 . 1 1 100 100 ASP H H 1 8.682 0.008 . 1 . . . . . 100 ASP H . 27400 1 887 . 1 1 100 100 ASP HA H 1 4.526 0.006 . 1 . . . . . 100 ASP HA . 27400 1 888 . 1 1 100 100 ASP HB2 H 1 2.831 0.013 . . . . . . . 100 ASP HB2 . 27400 1 889 . 1 1 100 100 ASP HB3 H 1 2.831 0.013 . . . . . . . 100 ASP HB3 . 27400 1 890 . 1 1 100 100 ASP C C 13 175.610 0.005 . 1 . . . . . 100 ASP C . 27400 1 891 . 1 1 100 100 ASP CA C 13 55.075 0.079 . 1 . . . . . 100 ASP CA . 27400 1 892 . 1 1 100 100 ASP CB C 13 40.151 0.078 . 1 . . . . . 100 ASP CB . 27400 1 893 . 1 1 100 100 ASP N N 15 117.588 0.030 . 1 . . . . . 100 ASP N . 27400 1 894 . 1 1 101 101 SER H H 1 7.794 0.004 . 1 . . . . . 101 SER H . 27400 1 895 . 1 1 101 101 SER HA H 1 4.915 0.005 . 1 . . . . . 101 SER HA . 27400 1 896 . 1 1 101 101 SER HB2 H 1 3.952 0.013 . . . . . . . 101 SER HB2 . 27400 1 897 . 1 1 101 101 SER HB3 H 1 3.952 0.013 . . . . . . . 101 SER HB3 . 27400 1 898 . 1 1 101 101 SER C C 13 174.463 0.004 . 1 . . . . . 101 SER C . 27400 1 899 . 1 1 101 101 SER CA C 13 55.433 0.069 . 1 . . . . . 101 SER CA . 27400 1 900 . 1 1 101 101 SER CB C 13 64.886 0.031 . 1 . . . . . 101 SER CB . 27400 1 901 . 1 1 101 101 SER N N 15 114.620 0.053 . 1 . . . . . 101 SER N . 27400 1 902 . 1 1 102 102 PRO HA H 1 4.662 0.043 . 1 . . . . . 102 PRO HA . 27400 1 903 . 1 1 102 102 PRO HB2 H 1 2.191 0.023 . . . . . . . 102 PRO HB2 . 27400 1 904 . 1 1 102 102 PRO HB3 H 1 2.191 0.023 . . . . . . . 102 PRO HB3 . 27400 1 905 . 1 1 102 102 PRO HG2 H 1 2.00 0.000 . . . . . . . 102 PRO HG2 . 27400 1 906 . 1 1 102 102 PRO HG3 H 1 2.00 0.000 . . . . . . . 102 PRO HG3 . 27400 1 907 . 1 1 102 102 PRO C C 13 176.792 0.000 . 1 . . . . . 102 PRO C . 27400 1 908 . 1 1 102 102 PRO CA C 13 63.600 0.075 . 1 . . . . . 102 PRO CA . 27400 1 909 . 1 1 102 102 PRO CB C 13 31.680 0.070 . 1 . . . . . 102 PRO CB . 27400 1 910 . 1 1 103 103 GLU H H 1 8.111 0.004 . 1 . . . . . 103 GLU H . 27400 1 911 . 1 1 103 103 GLU HA H 1 4.234 0.020 . 1 . . . . . 103 GLU HA . 27400 1 912 . 1 1 103 103 GLU HB2 H 1 2.110 0.001 . . . . . . . 103 GLU HB2 . 27400 1 913 . 1 1 103 103 GLU HB3 H 1 1.847 0.009 . . . . . . . 103 GLU HB3 . 27400 1 914 . 1 1 103 103 GLU HG2 H 1 2.233 0.000 . . . . . . . 103 GLU HG2 . 27400 1 915 . 1 1 103 103 GLU HG3 H 1 2.233 0.000 . . . . . . . 103 GLU HG3 . 27400 1 916 . 1 1 103 103 GLU C C 13 175.665 0.009 . 1 . . . . . 103 GLU C . 27400 1 917 . 1 1 103 103 GLU CA C 13 56.409 . . 1 . . . . . 103 GLU CA . 27400 1 918 . 1 1 103 103 GLU CB C 13 30.350 0.089 . 1 . . . . . 103 GLU CB . 27400 1 919 . 1 1 103 103 GLU CG C 13 36.202 0.000 . 1 . . . . . 103 GLU CG . 27400 1 920 . 1 1 103 103 GLU N N 15 120.028 0.043 . 1 . . . . . 103 GLU N . 27400 1 921 . 1 1 104 104 MET H H 1 8.030 0.004 . 1 . . . . . 104 MET H . 27400 1 922 . 1 1 104 104 MET HA H 1 4.439 0.006 . 1 . . . . . 104 MET HA . 27400 1 923 . 1 1 104 104 MET HG2 H 1 2.559 0.000 . . . . . . . 104 MET HG2 . 27400 1 924 . 1 1 104 104 MET HG3 H 1 2.559 0.000 . . . . . . . 104 MET HG3 . 27400 1 925 . 1 1 104 104 MET C C 13 176.161 0.003 . 1 . . . . . 104 MET C . 27400 1 926 . 1 1 104 104 MET CA C 13 55.487 0.007 . 1 . . . . . 104 MET CA . 27400 1 927 . 1 1 104 104 MET CB C 13 33.867 0.000 . 1 . . . . . 104 MET CB . 27400 1 928 . 1 1 104 104 MET N N 15 117.631 0.051 . 1 . . . . . 104 MET N . 27400 1 929 . 1 1 105 105 CYS H H 1 8.515 0.004 . 1 . . . . . 105 CYS H . 27400 1 930 . 1 1 105 105 CYS HB2 H 1 2.840 0.000 . . . . . . . 105 CYS HB2 . 27400 1 931 . 1 1 105 105 CYS HB3 H 1 2.840 0.000 . . . . . . . 105 CYS HB3 . 27400 1 932 . 1 1 105 105 CYS C C 13 174.246 0.000 . 1 . . . . . 105 CYS C . 27400 1 933 . 1 1 105 105 CYS CA C 13 56.937 0.000 . 1 . . . . . 105 CYS CA . 27400 1 934 . 1 1 105 105 CYS N N 15 119.903 0.134 . 1 . . . . . 105 CYS N . 27400 1 935 . 1 1 108 108 CYS H H 1 9.242 0.013 . 1 . . . . . 108 CYS H . 27400 1 936 . 1 1 108 108 CYS HA H 1 4.518 0.000 . 1 . . . . . 108 CYS HA . 27400 1 937 . 1 1 108 108 CYS C C 13 176.605 0.000 . 1 . . . . . 108 CYS C . 27400 1 938 . 1 1 108 108 CYS CA C 13 56.000 0.094 . 1 . . . . . 108 CYS CA . 27400 1 939 . 1 1 108 108 CYS CB C 13 43.508 0.000 . 1 . . . . . 108 CYS CB . 27400 1 940 . 1 1 108 108 CYS N N 15 115.228 0.098 . 1 . . . . . 108 CYS N . 27400 1 941 . 1 1 109 109 ARG H H 1 10.310 0.011 . 1 . . . . . 109 ARG H . 27400 1 942 . 1 1 109 109 ARG HA H 1 4.374 0.007 . 1 . . . . . 109 ARG HA . 27400 1 943 . 1 1 109 109 ARG HB2 H 1 1.967 0.010 . . . . . . . 109 ARG HB2 . 27400 1 944 . 1 1 109 109 ARG HB3 H 1 1.967 0.010 . . . . . . . 109 ARG HB3 . 27400 1 945 . 1 1 109 109 ARG C C 13 176.762 0.031 . 1 . . . . . 109 ARG C . 27400 1 946 . 1 1 109 109 ARG CA C 13 57.653 0.086 . 1 . . . . . 109 ARG CA . 27400 1 947 . 1 1 109 109 ARG CB C 13 31.265 0.060 . 1 . . . . . 109 ARG CB . 27400 1 948 . 1 1 109 109 ARG CG C 13 27.437 0.000 . 1 . . . . . 109 ARG CG . 27400 1 949 . 1 1 109 109 ARG CD C 13 44.186 0.000 . 1 . . . . . 109 ARG CD . 27400 1 950 . 1 1 109 109 ARG N N 15 125.907 0.087 . 1 . . . . . 109 ARG N . 27400 1 951 . 1 1 110 110 THR H H 1 8.515 0.004 . 1 . . . . . 110 THR H . 27400 1 952 . 1 1 110 110 THR HA H 1 4.253 0.010 . 1 . . . . . 110 THR HA . 27400 1 953 . 1 1 110 110 THR HB H 1 4.192 0.004 . 1 . . . . . 110 THR HB . 27400 1 954 . 1 1 110 110 THR C C 13 175.041 0.050 . 1 . . . . . 110 THR C . 27400 1 955 . 1 1 110 110 THR CA C 13 62.420 0.065 . 1 . . . . . 110 THR CA . 27400 1 956 . 1 1 110 110 THR CB C 13 69.218 0.129 . 1 . . . . . 110 THR CB . 27400 1 957 . 1 1 110 110 THR N N 15 110.081 0.056 . 1 . . . . . 110 THR N . 27400 1 958 . 1 1 111 111 GLY H H 1 7.417 0.006 . 1 . . . . . 111 GLY H . 27400 1 959 . 1 1 111 111 GLY C C 13 171.771 0.009 . 1 . . . . . 111 GLY C . 27400 1 960 . 1 1 111 111 GLY CA C 13 44.300 0.047 . 1 . . . . . 111 GLY CA . 27400 1 961 . 1 1 111 111 GLY N N 15 108.056 0.041 . 1 . . . . . 111 GLY N . 27400 1 962 . 1 1 112 112 CYS H H 1 8.725 0.004 . 1 . . . . . 112 CYS H . 27400 1 963 . 1 1 112 112 CYS HA H 1 5.018 0.011 . 1 . . . . . 112 CYS HA . 27400 1 964 . 1 1 112 112 CYS HB2 H 1 2.499 0.001 . . . . . . . 112 CYS HB2 . 27400 1 965 . 1 1 112 112 CYS HB3 H 1 2.499 0.001 . . . . . . . 112 CYS HB3 . 27400 1 966 . 1 1 112 112 CYS C C 13 172.756 0.000 . 1 . . . . . 112 CYS C . 27400 1 967 . 1 1 112 112 CYS CA C 13 52.884 0.061 . 1 . . . . . 112 CYS CA . 27400 1 968 . 1 1 112 112 CYS CB C 13 39.765 0.057 . 1 . . . . . 112 CYS CB . 27400 1 969 . 1 1 112 112 CYS N N 15 117.840 0.057 . 1 . . . . . 112 CYS N . 27400 1 970 . 1 1 113 113 PRO HA H 1 4.464 0.008 . 1 . . . . . 113 PRO HA . 27400 1 971 . 1 1 113 113 PRO HB2 H 1 2.429 0.049 . . . . . . . 113 PRO HB2 . 27400 1 972 . 1 1 113 113 PRO HB3 H 1 1.699 0.002 . . . . . . . 113 PRO HB3 . 27400 1 973 . 1 1 113 113 PRO C C 13 174.925 0.008 . 1 . . . . . 113 PRO C . 27400 1 974 . 1 1 113 113 PRO CA C 13 62.640 0.008 . 1 . . . . . 113 PRO CA . 27400 1 975 . 1 1 113 113 PRO CB C 13 32.707 0.123 . 1 . . . . . 113 PRO CB . 27400 1 976 . 1 1 113 113 PRO CG C 13 27.423 0.000 . 1 . . . . . 113 PRO CG . 27400 1 977 . 1 1 113 113 PRO CD C 13 50.673 0.000 . 1 . . . . . 113 PRO CD . 27400 1 978 . 1 1 114 114 ARG H H 1 8.326 0.002 . 1 . . . . . 114 ARG H . 27400 1 979 . 1 1 114 114 ARG HA H 1 4.320 0.000 . 1 . . . . . 114 ARG HA . 27400 1 980 . 1 1 114 114 ARG HB2 H 1 1.774 0.010 . . . . . . . 114 ARG HB2 . 27400 1 981 . 1 1 114 114 ARG HB3 H 1 1.774 0.010 . . . . . . . 114 ARG HB3 . 27400 1 982 . 1 1 114 114 ARG C C 13 177.418 0.020 . 1 . . . . . 114 ARG C . 27400 1 983 . 1 1 114 114 ARG CA C 13 58.015 0.019 . 1 . . . . . 114 ARG CA . 27400 1 984 . 1 1 114 114 ARG CB C 13 29.867 0.102 . 1 . . . . . 114 ARG CB . 27400 1 985 . 1 1 114 114 ARG CG C 13 26.550 0.000 . 1 . . . . . 114 ARG CG . 27400 1 986 . 1 1 114 114 ARG CD C 13 41.510 0.000 . 1 . . . . . 114 ARG CD . 27400 1 987 . 1 1 114 114 ARG N N 15 120.617 0.045 . 1 . . . . . 114 ARG N . 27400 1 988 . 1 1 115 115 GLY H H 1 8.922 0.007 . 1 . . . . . 115 GLY H . 27400 1 989 . 1 1 115 115 GLY HA2 H 1 3.744 0.013 . . . . . . . 115 GLY HA2 . 27400 1 990 . 1 1 115 115 GLY HA3 H 1 3.744 0.013 . . . . . . . 115 GLY HA3 . 27400 1 991 . 1 1 115 115 GLY C C 13 173.842 0.058 . 1 . . . . . 115 GLY C . 27400 1 992 . 1 1 115 115 GLY CA C 13 45.148 0.029 . 1 . . . . . 115 GLY CA . 27400 1 993 . 1 1 115 115 GLY N N 15 113.101 0.050 . 1 . . . . . 115 GLY N . 27400 1 994 . 1 1 116 116 MET H H 1 8.021 0.004 . 1 . . . . . 116 MET H . 27400 1 995 . 1 1 116 116 MET HA H 1 4.979 0.007 . 1 . . . . . 116 MET HA . 27400 1 996 . 1 1 116 116 MET HB2 H 1 1.950 0.013 . . . . . . . 116 MET HB2 . 27400 1 997 . 1 1 116 116 MET HB3 H 1 1.950 0.013 . . . . . . . 116 MET HB3 . 27400 1 998 . 1 1 116 116 MET HG2 H 1 2.321 0.001 . . . . . . . 116 MET HG2 . 27400 1 999 . 1 1 116 116 MET HG3 H 1 2.309 0.004 . . . . . . . 116 MET HG3 . 27400 1 1000 . 1 1 116 116 MET HE1 H 1 1.720 0.000 . 1 . . . . . 116 MET ME . 27400 1 1001 . 1 1 116 116 MET HE2 H 1 1.720 0.000 . 1 . . . . . 116 MET ME . 27400 1 1002 . 1 1 116 116 MET HE3 H 1 1.720 0.000 . 1 . . . . . 116 MET ME . 27400 1 1003 . 1 1 116 116 MET C C 13 174.546 0.016 . 1 . . . . . 116 MET C . 27400 1 1004 . 1 1 116 116 MET CA C 13 54.587 0.060 . 1 . . . . . 116 MET CA . 27400 1 1005 . 1 1 116 116 MET CB C 13 36.486 0.061 . 1 . . . . . 116 MET CB . 27400 1 1006 . 1 1 116 116 MET CG C 13 33.254 0.022 . 1 . . . . . 116 MET CG . 27400 1 1007 . 1 1 116 116 MET N N 15 117.851 0.038 . 1 . . . . . 116 MET N . 27400 1 1008 . 1 1 117 117 VAL H H 1 9.159 0.005 . 1 . . . . . 117 VAL H . 27400 1 1009 . 1 1 117 117 VAL HA H 1 4.422 0.005 . 1 . . . . . 117 VAL HA . 27400 1 1010 . 1 1 117 117 VAL HB H 1 1.927 0.005 . 1 . . . . . 117 VAL HB . 27400 1 1011 . 1 1 117 117 VAL HG11 H 1 0.868 0.004 . . . . . . . 117 VAL MG1 . 27400 1 1012 . 1 1 117 117 VAL HG12 H 1 0.868 0.004 . . . . . . . 117 VAL MG1 . 27400 1 1013 . 1 1 117 117 VAL HG13 H 1 0.868 0.004 . . . . . . . 117 VAL MG1 . 27400 1 1014 . 1 1 117 117 VAL HG21 H 1 0.894 0.000 . . . . . . . 117 VAL MG2 . 27400 1 1015 . 1 1 117 117 VAL HG22 H 1 0.894 0.000 . . . . . . . 117 VAL MG2 . 27400 1 1016 . 1 1 117 117 VAL HG23 H 1 0.894 0.000 . . . . . . . 117 VAL MG2 . 27400 1 1017 . 1 1 117 117 VAL C C 13 174.181 0.006 . 1 . . . . . 117 VAL C . 27400 1 1018 . 1 1 117 117 VAL CA C 13 60.023 0.070 . 1 . . . . . 117 VAL CA . 27400 1 1019 . 1 1 117 117 VAL CB C 13 35.116 0.064 . 1 . . . . . 117 VAL CB . 27400 1 1020 . 1 1 117 117 VAL CG1 C 13 20.756 0.000 . . . . . . . 117 VAL CG1 . 27400 1 1021 . 1 1 117 117 VAL CG2 C 13 20.921 0.001 . . . . . . . 117 VAL CG2 . 27400 1 1022 . 1 1 117 117 VAL N N 15 118.036 0.049 . 1 . . . . . 117 VAL N . 27400 1 1023 . 1 1 118 118 LYS H H 1 8.479 0.007 . 1 . . . . . 118 LYS H . 27400 1 1024 . 1 1 118 118 LYS HA H 1 4.822 0.019 . 1 . . . . . 118 LYS HA . 27400 1 1025 . 1 1 118 118 LYS HB2 H 1 1.836 0.009 . . . . . . . 118 LYS HB2 . 27400 1 1026 . 1 1 118 118 LYS HB3 H 1 1.713 0.001 . . . . . . . 118 LYS HB3 . 27400 1 1027 . 1 1 118 118 LYS HG2 H 1 1.223 0.015 . . . . . . . 118 LYS HG2 . 27400 1 1028 . 1 1 118 118 LYS HG3 H 1 1.195 0.011 . . . . . . . 118 LYS HG3 . 27400 1 1029 . 1 1 118 118 LYS HD2 H 1 1.678 0.017 . . . . . . . 118 LYS HD2 . 27400 1 1030 . 1 1 118 118 LYS HD3 H 1 1.631 0.000 . . . . . . . 118 LYS HD3 . 27400 1 1031 . 1 1 118 118 LYS HE2 H 1 3.005 0.000 . . . . . . . 118 LYS HE2 . 27400 1 1032 . 1 1 118 118 LYS HE3 H 1 2.936 0.007 . . . . . . . 118 LYS HE3 . 27400 1 1033 . 1 1 118 118 LYS C C 13 177.160 0.016 . 1 . . . . . 118 LYS C . 27400 1 1034 . 1 1 118 118 LYS CA C 13 56.994 0.024 . 1 . . . . . 118 LYS CA . 27400 1 1035 . 1 1 118 118 LYS CB C 13 33.162 0.057 . 1 . . . . . 118 LYS CB . 27400 1 1036 . 1 1 118 118 LYS CG C 13 24.714 0.092 . 1 . . . . . 118 LYS CG . 27400 1 1037 . 1 1 118 118 LYS CD C 13 29.055 0.052 . 1 . . . . . 118 LYS CD . 27400 1 1038 . 1 1 118 118 LYS CE C 13 41.804 0.049 . 1 . . . . . 118 LYS CE . 27400 1 1039 . 1 1 118 118 LYS N N 15 126.658 0.057 . 1 . . . . . 118 LYS N . 27400 1 1040 . 1 1 119 119 VAL H H 1 8.948 0.005 . 1 . . . . . 119 VAL H . 27400 1 1041 . 1 1 119 119 VAL HA H 1 4.532 0.007 . 1 . . . . . 119 VAL HA . 27400 1 1042 . 1 1 119 119 VAL HB H 1 2.273 0.009 . 1 . . . . . 119 VAL HB . 27400 1 1043 . 1 1 119 119 VAL HG11 H 1 0.730 0.006 . . . . . . . 119 VAL MG1 . 27400 1 1044 . 1 1 119 119 VAL HG12 H 1 0.730 0.006 . . . . . . . 119 VAL MG1 . 27400 1 1045 . 1 1 119 119 VAL HG13 H 1 0.730 0.006 . . . . . . . 119 VAL MG1 . 27400 1 1046 . 1 1 119 119 VAL HG21 H 1 0.870 0.002 . . . . . . . 119 VAL MG2 . 27400 1 1047 . 1 1 119 119 VAL HG22 H 1 0.870 0.002 . . . . . . . 119 VAL MG2 . 27400 1 1048 . 1 1 119 119 VAL HG23 H 1 0.870 0.002 . . . . . . . 119 VAL MG2 . 27400 1 1049 . 1 1 119 119 VAL C C 13 175.324 0.010 . 1 . . . . . 119 VAL C . 27400 1 1050 . 1 1 119 119 VAL CA C 13 60.981 0.045 . 1 . . . . . 119 VAL CA . 27400 1 1051 . 1 1 119 119 VAL CB C 13 33.571 0.087 . 1 . . . . . 119 VAL CB . 27400 1 1052 . 1 1 119 119 VAL CG1 C 13 19.485 0.017 . . . . . . . 119 VAL CG1 . 27400 1 1053 . 1 1 119 119 VAL CG2 C 13 21.695 0.100 . . . . . . . 119 VAL CG2 . 27400 1 1054 . 1 1 119 119 VAL N N 15 121.829 0.064 . 1 . . . . . 119 VAL N . 27400 1 1055 . 1 1 120 120 GLY H H 1 7.659 0.007 . 1 . . . . . 120 GLY H . 27400 1 1056 . 1 1 120 120 GLY HA2 H 1 4.265 0.018 . . . . . . . 120 GLY HA2 . 27400 1 1057 . 1 1 120 120 GLY HA3 H 1 3.974 0.010 . . . . . . . 120 GLY HA3 . 27400 1 1058 . 1 1 120 120 GLY C C 13 172.402 0.013 . 1 . . . . . 120 GLY C . 27400 1 1059 . 1 1 120 120 GLY CA C 13 45.296 0.072 . 1 . . . . . 120 GLY CA . 27400 1 1060 . 1 1 120 120 GLY N N 15 110.436 0.029 . 1 . . . . . 120 GLY N . 27400 1 1061 . 1 1 121 121 ASP H H 1 8.261 0.004 . 1 . . . . . 121 ASP H . 27400 1 1062 . 1 1 121 121 ASP HA H 1 4.736 0.016 . 1 . . . . . 121 ASP HA . 27400 1 1063 . 1 1 121 121 ASP HB2 H 1 2.663 0.006 . . . . . . . 121 ASP HB2 . 27400 1 1064 . 1 1 121 121 ASP HB3 H 1 2.358 0.004 . . . . . . . 121 ASP HB3 . 27400 1 1065 . 1 1 121 121 ASP C C 13 174.875 0.008 . 1 . . . . . 121 ASP C . 27400 1 1066 . 1 1 121 121 ASP CA C 13 53.758 0.077 . 1 . . . . . 121 ASP CA . 27400 1 1067 . 1 1 121 121 ASP CB C 13 43.210 0.046 . 1 . . . . . 121 ASP CB . 27400 1 1068 . 1 1 121 121 ASP N N 15 120.677 0.055 . 1 . . . . . 121 ASP N . 27400 1 1069 . 1 1 122 122 CYS H H 1 8.560 0.008 . 1 . . . . . 122 CYS H . 27400 1 1070 . 1 1 122 122 CYS HA H 1 4.751 0.000 . 1 . . . . . 122 CYS HA . 27400 1 1071 . 1 1 122 122 CYS HB2 H 1 2.985 0.003 . . . . . . . 122 CYS HB2 . 27400 1 1072 . 1 1 122 122 CYS HB3 H 1 2.985 0.003 . . . . . . . 122 CYS HB3 . 27400 1 1073 . 1 1 122 122 CYS C C 13 174.456 0.021 . 1 . . . . . 122 CYS C . 27400 1 1074 . 1 1 122 122 CYS CA C 13 55.402 0.087 . 1 . . . . . 122 CYS CA . 27400 1 1075 . 1 1 122 122 CYS N N 15 119.306 0.043 . 1 . . . . . 122 CYS N . 27400 1 1076 . 1 1 123 123 THR H H 1 9.449 0.006 . 1 . . . . . 123 THR H . 27400 1 1077 . 1 1 123 123 THR HA H 1 4.854 0.010 . 1 . . . . . 123 THR HA . 27400 1 1078 . 1 1 123 123 THR HB H 1 4.255 0.012 . 1 . . . . . 123 THR HB . 27400 1 1079 . 1 1 123 123 THR HG21 H 1 1.110 0.003 . 1 . . . . . 123 THR MG . 27400 1 1080 . 1 1 123 123 THR HG22 H 1 1.110 0.003 . 1 . . . . . 123 THR MG . 27400 1 1081 . 1 1 123 123 THR HG23 H 1 1.110 0.003 . 1 . . . . . 123 THR MG . 27400 1 1082 . 1 1 123 123 THR C C 13 172.348 0.000 . 1 . . . . . 123 THR C . 27400 1 1083 . 1 1 123 123 THR CA C 13 59.858 0.066 . 1 . . . . . 123 THR CA . 27400 1 1084 . 1 1 123 123 THR CB C 13 69.845 0.024 . 1 . . . . . 123 THR CB . 27400 1 1085 . 1 1 123 123 THR CG2 C 13 20.981 0.000 . 1 . . . . . 123 THR CG2 . 27400 1 1086 . 1 1 123 123 THR N N 15 124.567 0.101 . 1 . . . . . 123 THR N . 27400 1 1087 . 1 1 124 124 PRO HA H 1 4.585 0.000 . 1 . . . . . 124 PRO HA . 27400 1 1088 . 1 1 124 124 PRO HD2 H 1 3.670 0.000 . . . . . . . 124 PRO HD2 . 27400 1 1089 . 1 1 124 124 PRO HD3 H 1 3.670 0.000 . . . . . . . 124 PRO HD3 . 27400 1 1090 . 1 1 124 124 PRO C C 13 177.151 0.000 . 1 . . . . . 124 PRO C . 27400 1 1091 . 1 1 124 124 PRO CA C 13 64.601 0.093 . 1 . . . . . 124 PRO CA . 27400 1 1092 . 1 1 124 124 PRO CB C 13 31.167 0.000 . 1 . . . . . 124 PRO CB . 27400 1 1093 . 1 1 125 125 TRP H H 1 7.544 0.010 . 1 . . . . . 125 TRP H . 27400 1 1094 . 1 1 125 125 TRP HA H 1 5.621 0.017 . 1 . . . . . 125 TRP HA . 27400 1 1095 . 1 1 125 125 TRP HB2 H 1 3.660 0.003 . . . . . . . 125 TRP HB2 . 27400 1 1096 . 1 1 125 125 TRP HB3 H 1 3.088 0.010 . . . . . . . 125 TRP HB3 . 27400 1 1097 . 1 1 125 125 TRP HE1 H 1 10.237 0.001 . 1 . . . . . 125 TRP HE1 . 27400 1 1098 . 1 1 125 125 TRP C C 13 175.135 0.017 . 1 . . . . . 125 TRP C . 27400 1 1099 . 1 1 125 125 TRP CA C 13 55.752 0.051 . 1 . . . . . 125 TRP CA . 27400 1 1100 . 1 1 125 125 TRP CB C 13 30.336 0.086 . 1 . . . . . 125 TRP CB . 27400 1 1101 . 1 1 125 125 TRP N N 15 114.761 0.072 . 1 . . . . . 125 TRP N . 27400 1 1102 . 1 1 125 125 TRP NE1 N 15 129.398 0.010 . 1 . . . . . 125 TRP NE1 . 27400 1 1103 . 1 1 126 126 SER H H 1 7.721 0.004 . 1 . . . . . 126 SER H . 27400 1 1104 . 1 1 126 126 SER HA H 1 4.406 0.034 . 1 . . . . . 126 SER HA . 27400 1 1105 . 1 1 126 126 SER HB2 H 1 3.794 0.000 . . . . . . . 126 SER HB2 . 27400 1 1106 . 1 1 126 126 SER HB3 H 1 3.766 0.014 . . . . . . . 126 SER HB3 . 27400 1 1107 . 1 1 126 126 SER C C 13 170.199 0.000 . 1 . . . . . 126 SER C . 27400 1 1108 . 1 1 126 126 SER CA C 13 57.873 0.105 . 1 . . . . . 126 SER CA . 27400 1 1109 . 1 1 126 126 SER CB C 13 65.573 0.019 . 1 . . . . . 126 SER CB . 27400 1 1110 . 1 1 126 126 SER N N 15 116.286 0.041 . 1 . . . . . 126 SER N . 27400 1 1111 . 1 1 127 127 ASP H H 1 7.390 0.010 . 1 . . . . . 127 ASP H . 27400 1 1112 . 1 1 127 127 ASP HA H 1 4.609 0.020 . 1 . . . . . 127 ASP HA . 27400 1 1113 . 1 1 127 127 ASP HB2 H 1 2.675 0.000 . . . . . . . 127 ASP HB2 . 27400 1 1114 . 1 1 127 127 ASP HB3 H 1 2.675 0.000 . . . . . . . 127 ASP HB3 . 27400 1 1115 . 1 1 127 127 ASP C C 13 178.086 0.012 . 1 . . . . . 127 ASP C . 27400 1 1116 . 1 1 127 127 ASP CA C 13 52.018 0.053 . 1 . . . . . 127 ASP CA . 27400 1 1117 . 1 1 127 127 ASP CB C 13 41.623 0.047 . 1 . . . . . 127 ASP CB . 27400 1 1118 . 1 1 127 127 ASP N N 15 121.258 0.056 . 1 . . . . . 127 ASP N . 27400 1 1119 . 1 1 128 128 ILE H H 1 8.610 0.005 . 1 . . . . . 128 ILE H . 27400 1 1120 . 1 1 128 128 ILE HA H 1 3.812 0.017 . 1 . . . . . 128 ILE HA . 27400 1 1121 . 1 1 128 128 ILE HB H 1 1.746 0.009 . 1 . . . . . 128 ILE HB . 27400 1 1122 . 1 1 128 128 ILE HG12 H 1 1.238 0.014 . . . . . . . 128 ILE HG12 . 27400 1 1123 . 1 1 128 128 ILE HG13 H 1 1.221 0.000 . . . . . . . 128 ILE HG13 . 27400 1 1124 . 1 1 128 128 ILE HG21 H 1 0.975 0.013 . 1 . . . . . 128 ILE MG . 27400 1 1125 . 1 1 128 128 ILE HG22 H 1 0.975 0.013 . 1 . . . . . 128 ILE MG . 27400 1 1126 . 1 1 128 128 ILE HG23 H 1 0.975 0.013 . 1 . . . . . 128 ILE MG . 27400 1 1127 . 1 1 128 128 ILE HD11 H 1 0.464 0.007 . 1 . . . . . 128 ILE MD . 27400 1 1128 . 1 1 128 128 ILE HD12 H 1 0.464 0.007 . 1 . . . . . 128 ILE MD . 27400 1 1129 . 1 1 128 128 ILE HD13 H 1 0.464 0.007 . 1 . . . . . 128 ILE MD . 27400 1 1130 . 1 1 128 128 ILE C C 13 174.170 0.013 . 1 . . . . . 128 ILE C . 27400 1 1131 . 1 1 128 128 ILE CA C 13 62.467 0.064 . 1 . . . . . 128 ILE CA . 27400 1 1132 . 1 1 128 128 ILE CB C 13 38.711 0.061 . 1 . . . . . 128 ILE CB . 27400 1 1133 . 1 1 128 128 ILE CG1 C 13 25.704 0.058 . 1 . . . . . 128 ILE CG1 . 27400 1 1134 . 1 1 128 128 ILE CG2 C 13 18.738 0.053 . 1 . . . . . 128 ILE CG2 . 27400 1 1135 . 1 1 128 128 ILE CD1 C 13 14.639 0.047 . 1 . . . . . 128 ILE CD1 . 27400 1 1136 . 1 1 128 128 ILE N N 15 114.913 0.051 . 1 . . . . . 128 ILE N . 27400 1 1137 . 1 1 129 129 GLU H H 1 7.761 0.007 . 1 . . . . . 129 GLU H . 27400 1 1138 . 1 1 129 129 GLU HA H 1 4.543 0.020 . 1 . . . . . 129 GLU HA . 27400 1 1139 . 1 1 129 129 GLU HB2 H 1 1.765 0.021 . . . . . . . 129 GLU HB2 . 27400 1 1140 . 1 1 129 129 GLU HB3 H 1 1.721 0.016 . . . . . . . 129 GLU HB3 . 27400 1 1141 . 1 1 129 129 GLU HG2 H 1 2.157 0.000 . . . . . . . 129 GLU HG2 . 27400 1 1142 . 1 1 129 129 GLU HG3 H 1 2.147 0.000 . . . . . . . 129 GLU HG3 . 27400 1 1143 . 1 1 129 129 GLU C C 13 175.437 0.014 . 1 . . . . . 129 GLU C . 27400 1 1144 . 1 1 129 129 GLU CA C 13 54.635 0.041 . 1 . . . . . 129 GLU CA . 27400 1 1145 . 1 1 129 129 GLU CB C 13 32.210 0.089 . 1 . . . . . 129 GLU CB . 27400 1 1146 . 1 1 129 129 GLU CG C 13 35.966 0.018 . 1 . . . . . 129 GLU CG . 27400 1 1147 . 1 1 129 129 GLU N N 15 122.252 0.0059 . 1 . . . . . 129 GLU N . 27400 1 1148 . 1 1 130 130 CYS H H 1 8.588 0.004 . 1 . . . . . 130 CYS H . 27400 1 1149 . 1 1 130 130 CYS HA H 1 5.633 0.025 . 1 . . . . . 130 CYS HA . 27400 1 1150 . 1 1 130 130 CYS HB2 H 1 2.909 0.017 . . . . . . . 130 CYS HB2 . 27400 1 1151 . 1 1 130 130 CYS HB3 H 1 2.704 0.008 . . . . . . . 130 CYS HB3 . 27400 1 1152 . 1 1 130 130 CYS C C 13 173.982 0.007 . 1 . . . . . 130 CYS C . 27400 1 1153 . 1 1 130 130 CYS CA C 13 53.767 0.067 . 1 . . . . . 130 CYS CA . 27400 1 1154 . 1 1 130 130 CYS CB C 13 44.881 0.049 . 1 . . . . . 130 CYS CB . 27400 1 1155 . 1 1 130 130 CYS N N 15 124.025 0.058 . 1 . . . . . 130 CYS N . 27400 1 1156 . 1 1 131 131 VAL H H 1 9.107 0.005 . 1 . . . . . 131 VAL H . 27400 1 1157 . 1 1 131 131 VAL HA H 1 4.704 0.012 . 1 . . . . . 131 VAL HA . 27400 1 1158 . 1 1 131 131 VAL HB H 1 2.189 0.012 . 1 . . . . . 131 VAL HB . 27400 1 1159 . 1 1 131 131 VAL HG11 H 1 0.871 0.006 . . . . . . . 131 VAL MG1 . 27400 1 1160 . 1 1 131 131 VAL HG12 H 1 0.871 0.006 . . . . . . . 131 VAL MG1 . 27400 1 1161 . 1 1 131 131 VAL HG13 H 1 0.871 0.006 . . . . . . . 131 VAL MG1 . 27400 1 1162 . 1 1 131 131 VAL HG21 H 1 0.840 0.005 . . . . . . . 131 VAL MG2 . 27400 1 1163 . 1 1 131 131 VAL HG22 H 1 0.840 0.005 . . . . . . . 131 VAL MG2 . 27400 1 1164 . 1 1 131 131 VAL HG23 H 1 0.840 0.005 . . . . . . . 131 VAL MG2 . 27400 1 1165 . 1 1 131 131 VAL C C 13 175.197 0.018 . 1 . . . . . 131 VAL C . 27400 1 1166 . 1 1 131 131 VAL CA C 13 59.570 0.068 . 1 . . . . . 131 VAL CA . 27400 1 1167 . 1 1 131 131 VAL CB C 13 36.026 0.018 . 1 . . . . . 131 VAL CB . 27400 1 1168 . 1 1 131 131 VAL CG1 C 13 21.573 0.000 . . . . . . . 131 VAL CG1 . 27400 1 1169 . 1 1 131 131 VAL CG2 C 13 19.837 0.029 . . . . . . . 131 VAL CG2 . 27400 1 1170 . 1 1 131 131 VAL N N 15 117.558 0.038 . 1 . . . . . 131 VAL N . 27400 1 1171 . 1 1 132 132 HIS H H 1 8.829 0.005 . 1 . . . . . 132 HIS H . 27400 1 1172 . 1 1 132 132 HIS HA H 1 4.639 0.004 . 1 . . . . . 132 HIS HA . 27400 1 1173 . 1 1 132 132 HIS HB2 H 1 3.144 0.020 . . . . . . . 132 HIS HB2 . 27400 1 1174 . 1 1 132 132 HIS HB3 H 1 3.095 0.021 . . . . . . . 132 HIS HB3 . 27400 1 1175 . 1 1 132 132 HIS C C 13 174.831 0.014 . 1 . . . . . 132 HIS C . 27400 1 1176 . 1 1 132 132 HIS CA C 13 57.454 0.073 . 1 . . . . . 132 HIS CA . 27400 1 1177 . 1 1 132 132 HIS CB C 13 29.763 0.030 . 1 . . . . . 132 HIS CB . 27400 1 1178 . 1 1 132 132 HIS N N 15 121.754 0.059 . 1 . . . . . 132 HIS N . 27400 1 1179 . 1 1 133 133 LYS H H 1 8.346 0.005 . 1 . . . . . 133 LYS H . 27400 1 1180 . 1 1 133 133 LYS HA H 1 4.292 0.007 . 1 . . . . . 133 LYS HA . 27400 1 1181 . 1 1 133 133 LYS HB2 H 1 1.743 0.018 . . . . . . . 133 LYS HB2 . 27400 1 1182 . 1 1 133 133 LYS HB3 H 1 1.690 0.000 . . . . . . . 133 LYS HB3 . 27400 1 1183 . 1 1 133 133 LYS HG2 H 1 1.388 0.018 . . . . . . . 133 LYS HG2 . 27400 1 1184 . 1 1 133 133 LYS HG3 H 1 1.353 0.016 . . . . . . . 133 LYS HG3 . 27400 1 1185 . 1 1 133 133 LYS HD2 H 1 1.636 0.005 . . . . . . . 133 LYS HD2 . 27400 1 1186 . 1 1 133 133 LYS HD3 H 1 1.621 0.021 . . . . . . . 133 LYS HD3 . 27400 1 1187 . 1 1 133 133 LYS HE2 H 1 2.979 0.000 . . . . . . . 133 LYS HE2 . 27400 1 1188 . 1 1 133 133 LYS HE3 H 1 2.931 0.002 . . . . . . . 133 LYS HE3 . 27400 1 1189 . 1 1 133 133 LYS C C 13 175.606 0.002 . 1 . . . . . 133 LYS C . 27400 1 1190 . 1 1 133 133 LYS CA C 13 56.317 0.044 . 1 . . . . . 133 LYS CA . 27400 1 1191 . 1 1 133 133 LYS CB C 13 33.843 0.075 . 1 . . . . . 133 LYS CB . 27400 1 1192 . 1 1 133 133 LYS CG C 13 24.820 0.039 . 1 . . . . . 133 LYS CG . 27400 1 1193 . 1 1 133 133 LYS CD C 13 29.142 0.047 . 1 . . . . . 133 LYS CD . 27400 1 1194 . 1 1 133 133 LYS CE C 13 41.652 0.002 . 1 . . . . . 133 LYS CE . 27400 1 1195 . 1 1 133 133 LYS N N 15 125.083 0.042 . 1 . . . . . 133 LYS N . 27400 1 1196 . 1 1 134 134 GLU H H 1 8.629 0.008 . 1 . . . . . 134 GLU H . 27400 1 1197 . 1 1 134 134 GLU HA H 1 4.328 0.003 . 1 . . . . . 134 GLU HA . 27400 1 1198 . 1 1 134 134 GLU HB2 H 1 2.128 0.005 . . . . . . . 134 GLU HB2 . 27400 1 1199 . 1 1 134 134 GLU HB3 H 1 1.954 0.006 . . . . . . . 134 GLU HB3 . 27400 1 1200 . 1 1 134 134 GLU HG2 H 1 2.297 0.014 . . . . . . . 134 GLU HG2 . 27400 1 1201 . 1 1 134 134 GLU HG3 H 1 2.238 0.000 . . . . . . . 134 GLU HG3 . 27400 1 1202 . 1 1 134 134 GLU C C 13 175.626 0.009 . 1 . . . . . 134 GLU C . 27400 1 1203 . 1 1 134 134 GLU CA C 13 56.736 0.010 . 1 . . . . . 134 GLU CA . 27400 1 1204 . 1 1 134 134 GLU CB C 13 30.374 0.077 . 1 . . . . . 134 GLU CB . 27400 1 1205 . 1 1 134 134 GLU CG C 13 36.337 0.017 . 1 . . . . . 134 GLU CG . 27400 1 1206 . 1 1 134 134 GLU N N 15 124.280 0.033 . 1 . . . . . 134 GLU N . 27400 1 1207 . 1 1 135 135 SER H H 1 7.957 0.004 . 1 . . . . . 135 SER H . 27400 1 1208 . 1 1 135 135 SER HA H 1 4.253 0.005 . 1 . . . . . 135 SER HA . 27400 1 1209 . 1 1 135 135 SER HB2 H 1 3.857 0.003 . . . . . . . 135 SER HB2 . 27400 1 1210 . 1 1 135 135 SER HB3 H 1 3.870 0.003 . . . . . . . 135 SER HB3 . 27400 1 1211 . 1 1 135 135 SER C C 13 178.556 0.006 . 1 . . . . . 135 SER C . 27400 1 1212 . 1 1 135 135 SER CA C 13 59.935 0.093 . 1 . . . . . 135 SER CA . 27400 1 1213 . 1 1 135 135 SER CB C 13 64.826 0.058 . 1 . . . . . 135 SER CB . 27400 1 1214 . 1 1 135 135 SER N N 15 122.041 0.053 . 1 . . . . . 135 SER N . 27400 1 stop_ save_