data_6984 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6984 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of the cAMP-Binding Domain A of the PKA Regulatory Subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-14 _Entry.Accession_date 2006-02-14 _Entry.Last_release_date 2006-12-22 _Entry.Original_release_date 2006-12-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Veronica Esposito . . . 6984 2 Tim Sjoberg . . . 6984 3 Rahul Das . . . 6984 4 Simon Brown . . . 6984 5 Susan Taylor . . . 6984 6 Giuseppe Melacini . . . 6984 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . McMaster . 6984 . . UCSD . 6984 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6984 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 476 6984 '15N chemical shifts' 130 6984 '1H chemical shifts' 790 6984 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-12-22 2006-02-14 original author . 6984 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6984 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17016670 _Citation.Full_citation . _Citation.Title 'NMR assignment of the cAMP-binding domain A of the PKA regulatory subunit' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 64 _Citation.Page_last 64 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Veronica Esposito . . . 6984 1 2 Tim Sjoberg . . . 6984 1 3 Rahul Das . . . 6984 1 4 Simon Brown . . . 6984 1 5 Susan Taylor . S. . 6984 1 6 Giuseppe Melacini . . . 6984 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6984 _Assembly.ID 1 _Assembly.Name 'R1a CBD-A' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 14156 _Assembly.Enzyme_commission_number . _Assembly.Details 'cAMP-Binding Domain A of the PKA Regulatory Subunit Isoform Ia: RIa (119-244).' _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 'cAMP Binding Domain A' 1 $R1a_119-244 . . yes native yes no 1 'Regulatory subunit' . 6984 1 2 cAMP 2 $CMP . . no native no no 2 ligand . 6984 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1RGS . . X-ray 2.8 'Structure of longer fragment' . 6984 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 6984 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cAMP Binding' 6984 1 'PKA Regulation' 6984 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID cAMP 6984 1 CBD 6984 1 Kinase 6984 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_R1a_119-244 _Entity.Sf_category entity _Entity.Sf_framecode R1a_119-244 _Entity.Entry_ID 6984 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PKA regulatory subunit' _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 ; DYKTMAALAKAIEKNVLFSH LDDNERSDIFDAMFPVSFIA GETVIQQGDEGDNFYVIDQG EMDVYVNNEWATSVGEGGSF GELALIYGTPRAATVKAKTN VKLWGIDRDSYRRILMGSTL RKRKMY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14156 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 no PDB 3FHI . "Crystal Structure Of A Complex Between The Catalytic And Regulatory (Ri{alpha}) Subunits Of Pka" . . . . . 100.00 154 100.00 100.00 1.29e-86 . . . . 6984 1 2 no PDB 3IIA . "Crystal Structure Of Apo (91-244) Ria Subunit Of Camp-Dependent Protein Kinase" . . . . . 100.00 154 100.00 100.00 1.29e-86 . . . . 6984 1 3 no PDB 3PLQ . "Crystal Structure Of Pka Type I Regulatory Subunit Bound With Rp-8-Br- Camps" . . . . . 100.00 154 100.00 100.00 1.29e-86 . . . . 6984 1 4 no PDB 3PNA . "Crystal Structure Of Camp Bound (91-244)ria Subunit Of Camp-Dependent Protein Kinase" . . . . . 100.00 154 100.00 100.00 1.29e-86 . . . . 6984 1 5 no PDB 3PVB . "Crystal Structure Of (73-244)ria:c Holoenzyme Of Camp-dependent Protein Kinase" . . . . . 99.21 160 100.00 100.00 1.21e-85 . . . . 6984 1 6 no GB AAA60266 . "RET tyrosine kinase/cAMP protein kinase A subunit RI [Homo sapiens]" . . . . . 92.06 596 98.28 98.28 1.16e-71 . . . . 6984 1 7 no GB AAF00035 . "cAMP-dependent protein kinase subunit R1 alpha [Oryctolagus cuniculus]" . . . . . 93.65 172 100.00 100.00 4.10e-80 . . . . 6984 1 8 no GB AEH77255 . "cAMP-dependent protein kinase type I-alpha regulatory subunit transcript variant 2, partial [Mus musculus]" . . . . . 94.44 239 100.00 100.00 4.43e-81 . . . . 6984 1 9 no GB AEH77256 . "cAMP-dependent protein kinase type I-alpha regulatory subunit transcript variant 3, partial [Mus musculus]" . . . . . 94.44 239 100.00 100.00 4.43e-81 . . . . 6984 1 10 no GB AEH77257 . "cAMP-dependent protein kinase type I-alpha regulatory subunit transcript variant 4, partial [Mus musculus]" . . . . . 94.44 239 100.00 100.00 4.43e-81 . . . . 6984 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Regulatory subunit' 6984 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'R1a 119-244' . 6984 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID CBD-A 6984 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 . ASP . 6984 1 2 . TYR . 6984 1 3 . LYS . 6984 1 4 . THR . 6984 1 5 . MET . 6984 1 6 . ALA . 6984 1 7 . ALA . 6984 1 8 . LEU . 6984 1 9 . ALA . 6984 1 10 . LYS . 6984 1 11 . ALA . 6984 1 12 . ILE . 6984 1 13 . GLU . 6984 1 14 . LYS . 6984 1 15 . ASN . 6984 1 16 . VAL . 6984 1 17 . LEU . 6984 1 18 . PHE . 6984 1 19 . SER . 6984 1 20 . HIS . 6984 1 21 . LEU . 6984 1 22 . ASP . 6984 1 23 . ASP . 6984 1 24 . ASN . 6984 1 25 . GLU . 6984 1 26 . ARG . 6984 1 27 . SER . 6984 1 28 . ASP . 6984 1 29 . ILE . 6984 1 30 . PHE . 6984 1 31 . ASP . 6984 1 32 . ALA . 6984 1 33 . MET . 6984 1 34 . PHE . 6984 1 35 . PRO . 6984 1 36 . VAL . 6984 1 37 . SER . 6984 1 38 . PHE . 6984 1 39 . ILE . 6984 1 40 . ALA . 6984 1 41 . GLY . 6984 1 42 . GLU . 6984 1 43 . THR . 6984 1 44 . VAL . 6984 1 45 . ILE . 6984 1 46 . GLN . 6984 1 47 . GLN . 6984 1 48 . GLY . 6984 1 49 . ASP . 6984 1 50 . GLU . 6984 1 51 . GLY . 6984 1 52 . ASP . 6984 1 53 . ASN . 6984 1 54 . PHE . 6984 1 55 . TYR . 6984 1 56 . VAL . 6984 1 57 . ILE . 6984 1 58 . ASP . 6984 1 59 . GLN . 6984 1 60 . GLY . 6984 1 61 . GLU . 6984 1 62 . MET . 6984 1 63 . ASP . 6984 1 64 . VAL . 6984 1 65 . TYR . 6984 1 66 . VAL . 6984 1 67 . ASN . 6984 1 68 . ASN . 6984 1 69 . GLU . 6984 1 70 . TRP . 6984 1 71 . ALA . 6984 1 72 . THR . 6984 1 73 . SER . 6984 1 74 . VAL . 6984 1 75 . GLY . 6984 1 76 . GLU . 6984 1 77 . GLY . 6984 1 78 . GLY . 6984 1 79 . SER . 6984 1 80 . PHE . 6984 1 81 . GLY . 6984 1 82 . GLU . 6984 1 83 . LEU . 6984 1 84 . ALA . 6984 1 85 . LEU . 6984 1 86 . ILE . 6984 1 87 . TYR . 6984 1 88 . GLY . 6984 1 89 . THR . 6984 1 90 . PRO . 6984 1 91 . ARG . 6984 1 92 . ALA . 6984 1 93 . ALA . 6984 1 94 . THR . 6984 1 95 . VAL . 6984 1 96 . LYS . 6984 1 97 . ALA . 6984 1 98 . LYS . 6984 1 99 . THR . 6984 1 100 . ASN . 6984 1 101 . VAL . 6984 1 102 . LYS . 6984 1 103 . LEU . 6984 1 104 . TRP . 6984 1 105 . GLY . 6984 1 106 . ILE . 6984 1 107 . ASP . 6984 1 108 . ARG . 6984 1 109 . ASP . 6984 1 110 . SER . 6984 1 111 . TYR . 6984 1 112 . ARG . 6984 1 113 . ARG . 6984 1 114 . ILE . 6984 1 115 . LEU . 6984 1 116 . MET . 6984 1 117 . GLY . 6984 1 118 . SER . 6984 1 119 . THR . 6984 1 120 . LEU . 6984 1 121 . ARG . 6984 1 122 . LYS . 6984 1 123 . ARG . 6984 1 124 . LYS . 6984 1 125 . MET . 6984 1 126 . TYR . 6984 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 . ASP 1 1 6984 1 . TYR 2 2 6984 1 . LYS 3 3 6984 1 . THR 4 4 6984 1 . MET 5 5 6984 1 . ALA 6 6 6984 1 . ALA 7 7 6984 1 . LEU 8 8 6984 1 . ALA 9 9 6984 1 . LYS 10 10 6984 1 . ALA 11 11 6984 1 . ILE 12 12 6984 1 . GLU 13 13 6984 1 . LYS 14 14 6984 1 . ASN 15 15 6984 1 . VAL 16 16 6984 1 . LEU 17 17 6984 1 . PHE 18 18 6984 1 . SER 19 19 6984 1 . HIS 20 20 6984 1 . LEU 21 21 6984 1 . ASP 22 22 6984 1 . ASP 23 23 6984 1 . ASN 24 24 6984 1 . GLU 25 25 6984 1 . ARG 26 26 6984 1 . SER 27 27 6984 1 . ASP 28 28 6984 1 . ILE 29 29 6984 1 . PHE 30 30 6984 1 . ASP 31 31 6984 1 . ALA 32 32 6984 1 . MET 33 33 6984 1 . PHE 34 34 6984 1 . PRO 35 35 6984 1 . VAL 36 36 6984 1 . SER 37 37 6984 1 . PHE 38 38 6984 1 . ILE 39 39 6984 1 . ALA 40 40 6984 1 . GLY 41 41 6984 1 . GLU 42 42 6984 1 . THR 43 43 6984 1 . VAL 44 44 6984 1 . ILE 45 45 6984 1 . GLN 46 46 6984 1 . GLN 47 47 6984 1 . GLY 48 48 6984 1 . ASP 49 49 6984 1 . GLU 50 50 6984 1 . GLY 51 51 6984 1 . ASP 52 52 6984 1 . ASN 53 53 6984 1 . PHE 54 54 6984 1 . TYR 55 55 6984 1 . VAL 56 56 6984 1 . ILE 57 57 6984 1 . ASP 58 58 6984 1 . GLN 59 59 6984 1 . GLY 60 60 6984 1 . GLU 61 61 6984 1 . MET 62 62 6984 1 . ASP 63 63 6984 1 . VAL 64 64 6984 1 . TYR 65 65 6984 1 . VAL 66 66 6984 1 . ASN 67 67 6984 1 . ASN 68 68 6984 1 . GLU 69 69 6984 1 . TRP 70 70 6984 1 . ALA 71 71 6984 1 . THR 72 72 6984 1 . SER 73 73 6984 1 . VAL 74 74 6984 1 . GLY 75 75 6984 1 . GLU 76 76 6984 1 . GLY 77 77 6984 1 . GLY 78 78 6984 1 . SER 79 79 6984 1 . PHE 80 80 6984 1 . GLY 81 81 6984 1 . GLU 82 82 6984 1 . LEU 83 83 6984 1 . ALA 84 84 6984 1 . LEU 85 85 6984 1 . ILE 86 86 6984 1 . TYR 87 87 6984 1 . GLY 88 88 6984 1 . THR 89 89 6984 1 . PRO 90 90 6984 1 . ARG 91 91 6984 1 . ALA 92 92 6984 1 . ALA 93 93 6984 1 . THR 94 94 6984 1 . VAL 95 95 6984 1 . LYS 96 96 6984 1 . ALA 97 97 6984 1 . LYS 98 98 6984 1 . THR 99 99 6984 1 . ASN 100 100 6984 1 . VAL 101 101 6984 1 . LYS 102 102 6984 1 . LEU 103 103 6984 1 . TRP 104 104 6984 1 . GLY 105 105 6984 1 . ILE 106 106 6984 1 . ASP 107 107 6984 1 . ARG 108 108 6984 1 . ASP 109 109 6984 1 . SER 110 110 6984 1 . TYR 111 111 6984 1 . ARG 112 112 6984 1 . ARG 113 113 6984 1 . ILE 114 114 6984 1 . LEU 115 115 6984 1 . MET 116 116 6984 1 . GLY 117 117 6984 1 . SER 118 118 6984 1 . THR 119 119 6984 1 . LEU 120 120 6984 1 . ARG 121 121 6984 1 . LYS 122 122 6984 1 . ARG 123 123 6984 1 . LYS 124 124 6984 1 . MET 125 125 6984 1 . TYR 126 126 6984 1 stop_ save_ save_CMP _Entity.Sf_category entity _Entity.Sf_framecode CMP _Entity.Entry_ID 6984 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CMP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CMP _Entity.Nonpolymer_comp_label $chem_comp_CMP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . CMP . 6984 2 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 6984 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $R1a_119-244 . 9913 organism . 'Bos Taurus' Bovine . . Eukaryota Metazoa Bos Taurus . . . . . . . . . . . . . . . . . . . . . 6984 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 6984 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $R1a_119-244 . 'recombinant technology' . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6984 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CMP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CMP _Chem_comp.Entry_ID 6984 _Chem_comp.ID CMP _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CMP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CMP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'CYCLIC AMP; CAMP' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H12 N5 O6 P' _Chem_comp.Formula_weight 329.206 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1RUN _Chem_comp.Processing_site PDBe _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 15:53:33 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 6984 CMP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6984 CMP InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 6984 CMP IVOMOUWHDPKRLL-KQYNXXCUSA-N InChIKey InChI 1.03 6984 CMP Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O SMILES_CANONICAL CACTVS 3.341 6984 CMP Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O SMILES CACTVS 3.341 6984 CMP O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O SMILES ACDLabs 10.04 6984 CMP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (1R,4R,6S,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-7-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6984 CMP '(2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide' 'SYSTEMATIC NAME' ACDLabs 10.04 6984 CMP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P . P . . P . . R 0 . . . . no no . . . . 23.331 . 65.840 . 7.282 . 0.035 0.457 -4.129 1 . 6984 CMP O1P . O1P . . O . . N 0 . . . . no no . . . . 24.410 . 65.875 . 8.285 . 1.127 1.448 -4.010 2 . 6984 CMP O2P . O2P . . O . . N 0 . . . . no no . . . . 22.096 . 66.642 . 7.482 . -0.773 0.723 -5.496 3 . 6984 CMP O5' . O5' . . O . . N 0 . . . . no no . . . . 24.063 . 66.219 . 5.913 . 0.664 -1.020 -4.167 4 . 6984 CMP C5' . C5' . . C . . N 0 . . . . no no . . . . 23.590 . 65.766 . 4.634 . 1.291 -1.282 -2.903 5 . 6984 CMP C4' . C4' . . C . . R 0 . . . . no no . . . . 22.867 . 64.454 . 4.776 . 0.229 -1.157 -1.826 6 . 6984 CMP O4' . O4' . . O . . N 0 . . . . no no . . . . 23.145 . 63.564 . 3.660 . 0.656 -1.453 -0.497 7 . 6984 CMP C3' . C3' . . C . . S 0 . . . . no no . . . . 23.378 . 63.641 . 5.941 . -0.193 0.332 -1.731 8 . 6984 CMP O3' . O3' . . O . . N 0 . . . . no no . . . . 22.893 . 64.317 . 7.078 . -0.970 0.624 -2.876 9 . 6984 CMP C2' . C2' . . C . . R 0 . . . . no no . . . . 22.798 . 62.275 . 5.618 . -0.954 0.340 -0.394 10 . 6984 CMP O2' . O2' . . O . . N 0 . . . . no no . . . . 21.396 . 62.250 . 5.837 . -2.353 0.144 -0.610 11 . 6984 CMP C1' . C1' . . C . . R 0 . . . . no no . . . . 23.073 . 62.218 . 4.113 . -0.331 -0.851 0.372 12 . 6984 CMP N9 . N9 . . N . . N 0 . . . . yes no . . . . 24.303 . 61.528 . 3.719 . 0.309 -0.374 1.600 13 . 6984 CMP C8 . C8 . . C . . N 0 . . . . yes no . . . . 25.623 . 61.948 . 3.754 . 1.602 0.035 1.728 14 . 6984 CMP N7 . N7 . . N . . N 0 . . . . yes no . . . . 26.473 . 61.067 . 3.259 . 1.836 0.393 2.958 15 . 6984 CMP C5 . C5 . . C . . N 0 . . . . yes no . . . . 25.660 . 59.993 . 2.899 . 0.708 0.241 3.693 16 . 6984 CMP C6 . C6 . . C . . N 0 . . . . yes no . . . . 25.939 . 58.758 . 2.334 . 0.372 0.452 5.041 17 . 6984 CMP N6 . N6 . . N . . N 0 . . . . no no . . . . 27.173 . 58.368 . 2.015 . 1.309 0.938 5.937 18 . 6984 CMP N1 . N1 . . N . . N 0 . . . . yes no . . . . 24.912 . 57.922 . 2.097 . -0.867 0.180 5.434 19 . 6984 CMP C2 . C2 . . C . . N 0 . . . . yes no . . . . 23.693 . 58.298 . 2.413 . -1.767 -0.282 4.587 20 . 6984 CMP N3 . N3 . . N . . N 0 . . . . yes no . . . . 23.282 . 59.438 . 2.960 . -1.496 -0.501 3.317 21 . 6984 CMP C4 . C4 . . C . . N 0 . . . . yes no . . . . 24.329 . 60.259 . 3.182 . -0.282 -0.258 2.833 22 . 6984 CMP HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 21.400 . 66.619 . 6.835 . -0.136 0.638 -6.218 23 . 6984 CMP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 22.959 . 66.534 . 4.128 . 2.083 -0.554 -2.726 24 . 6984 CMP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 24.413 . 65.707 . 3.884 . 1.706 -2.290 -2.899 25 . 6984 CMP H4' . H4' . . H . . N 0 . . . . no no . . . . 21.796 . 64.749 . 4.871 . -0.632 -1.772 -2.084 26 . 6984 CMP H3' . H3' . . H . . N 0 . . . . no no . . . . 24.471 . 63.518 . 6.123 . 0.687 0.973 -1.690 27 . 6984 CMP H2' . H2' . . H . . N 0 . . . . no no . . . . 23.219 . 61.440 . 6.226 . -0.776 1.272 0.143 28 . 6984 CMP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 21.033 . 61.395 . 5.635 . -2.775 0.159 0.259 29 . 6984 CMP H1' . H1' . . H . . N 0 . . . . no no . . . . 22.248 . 61.623 . 3.654 . -1.104 -1.580 0.616 30 . 6984 CMP H8 . H8 . . H . . N 0 . . . . no no . . . . 25.973 . 62.916 . 4.148 . 2.327 0.059 0.928 31 . 6984 CMP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 27.378 . 57.459 . 1.599 . 1.063 1.083 6.864 32 . 6984 CMP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 27.747 . 58.456 . 2.853 . 2.212 1.129 5.639 33 . 6984 CMP H2 . H2 . . H . . N 0 . . . . no no . . . . 22.908 . 57.556 . 2.188 . -2.763 -0.490 4.948 34 . 6984 CMP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB P O1P no N 1 . 6984 CMP 2 . SING P O2P no N 2 . 6984 CMP 3 . SING P O5' no N 3 . 6984 CMP 4 . SING P O3' no N 4 . 6984 CMP 5 . SING O2P HOP2 no N 5 . 6984 CMP 6 . SING O5' C5' no N 6 . 6984 CMP 7 . SING C5' C4' no N 7 . 6984 CMP 8 . SING C5' H5'1 no N 8 . 6984 CMP 9 . SING C5' H5'2 no N 9 . 6984 CMP 10 . SING C4' O4' no N 10 . 6984 CMP 11 . SING C4' C3' no N 11 . 6984 CMP 12 . SING C4' H4' no N 12 . 6984 CMP 13 . SING O4' C1' no N 13 . 6984 CMP 14 . SING C3' O3' no N 14 . 6984 CMP 15 . SING C3' C2' no N 15 . 6984 CMP 16 . SING C3' H3' no N 16 . 6984 CMP 17 . SING C2' O2' no N 17 . 6984 CMP 18 . SING C2' C1' no N 18 . 6984 CMP 19 . SING C2' H2' no N 19 . 6984 CMP 20 . SING O2' HO2' no N 20 . 6984 CMP 21 . SING C1' N9 no N 21 . 6984 CMP 22 . SING C1' H1' no N 22 . 6984 CMP 23 . SING N9 C8 yes N 23 . 6984 CMP 24 . SING N9 C4 yes N 24 . 6984 CMP 25 . DOUB C8 N7 yes N 25 . 6984 CMP 26 . SING C8 H8 no N 26 . 6984 CMP 27 . SING N7 C5 yes N 27 . 6984 CMP 28 . SING C5 C6 yes N 28 . 6984 CMP 29 . DOUB C5 C4 yes N 29 . 6984 CMP 30 . SING C6 N6 no N 30 . 6984 CMP 31 . DOUB C6 N1 yes N 31 . 6984 CMP 32 . SING N6 HN61 no N 32 . 6984 CMP 33 . SING N6 HN62 no N 33 . 6984 CMP 34 . SING N1 C2 yes N 34 . 6984 CMP 35 . DOUB C2 N3 yes N 35 . 6984 CMP 36 . SING C2 H2 no N 36 . 6984 CMP 37 . SING N3 C4 yes N 37 . 6984 CMP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6984 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'R1a 119-244' '[U-13C; U-15N]' . . 1 $R1a_119-244 . . 0.5 . . mM . . . . 6984 1 2 cAMP . . . 2 $CMP . . 1 . . mM . . . . 6984 1 3 KH2PO4 . . . . . . . 20 . . mM . . . . 6984 1 4 NaCl . . . . . . . 100 . . mM . . . . 6984 1 5 '1:1 mixture of Arg:Glu' . . . . . . . 50 . . mM . . . . 6984 1 6 D2O . . . . . . . 5 . . % . . . . 6984 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6984 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM KH2PO4 pH 6.5, 100mM NaCl and 50mM 1:1 mixture of Arg:Glu and 1mM cAMP; 5% D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 pH 6984 1 temperature 309 1.0 K 6984 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 6984 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6984 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6984 _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 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 2 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 5 HBHANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 6 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 7 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 8 '15N TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 9 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 10 '15N HSQC-NOESY-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 11 '13C HSQC-NOESY-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 12 HCcH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 13 HCcH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 14 hCCG-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6984 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6984 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6984 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6984 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6984 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6984 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6984 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.80 0.04 . 1 . . . . 1 ASP HA . 6984 1 2 . 1 1 1 1 ASP HB2 H 1 3.00 0.02 . 2 . . . . 1 ASP HB2 . 6984 1 3 . 1 1 1 1 ASP HB3 H 1 2.86 0.03 . 2 . . . . 1 ASP HB3 . 6984 1 4 . 1 1 1 1 ASP C C 13 176.0 0.15 . 1 . . . . 1 ASP C . 6984 1 5 . 1 1 1 1 ASP CA C 13 53.4 0.15 . 1 . . . . 1 ASP CA . 6984 1 6 . 1 1 1 1 ASP CB C 13 41.8 0.15 . 1 . . . . 1 ASP CB . 6984 1 7 . 1 1 2 2 TYR H H 1 8.57 0.02 . 1 . . . . 2 TYR H . 6984 1 8 . 1 1 2 2 TYR HA H 1 4.21 0.04 . 1 . . . . 2 TYR HA . 6984 1 9 . 1 1 2 2 TYR HB2 H 1 3.15 0.02 . 2 . . . . 2 TYR HB2 . 6984 1 10 . 1 1 2 2 TYR HB3 H 1 3.04 0.02 . 2 . . . . 2 TYR HB3 . 6984 1 11 . 1 1 2 2 TYR HD1 H 1 7.05 0.02 . 1 . . . . 2 TYR HD1 . 6984 1 12 . 1 1 2 2 TYR HD2 H 1 7.05 0.02 . 1 . . . . 2 TYR HD2 . 6984 1 13 . 1 1 2 2 TYR C C 13 177.3 0.15 . 1 . . . . 2 TYR C . 6984 1 14 . 1 1 2 2 TYR CA C 13 61.1 0.15 . 1 . . . . 2 TYR CA . 6984 1 15 . 1 1 2 2 TYR CB C 13 38.0 0.15 . 1 . . . . 2 TYR CB . 6984 1 16 . 1 1 2 2 TYR N N 15 121.3 0.15 . 1 . . . . 2 TYR N . 6984 1 17 . 1 1 3 3 LYS H H 1 8.24 0.02 . 1 . . . . 3 LYS H . 6984 1 18 . 1 1 3 3 LYS HA H 1 3.96 0.05 . 1 . . . . 3 LYS HA . 6984 1 19 . 1 1 3 3 LYS HB2 H 1 1.84 0.02 . 2 . . . . 3 LYS HB2 . 6984 1 20 . 1 1 3 3 LYS HB3 H 1 1.94 0.02 . 2 . . . . 3 LYS HB3 . 6984 1 21 . 1 1 3 3 LYS HG2 H 1 1.56 0.02 . 2 . . . . 3 LYS HG2 . 6984 1 22 . 1 1 3 3 LYS HG3 H 1 1.49 0.02 . 2 . . . . 3 LYS HG3 . 6984 1 23 . 1 1 3 3 LYS HD2 H 1 1.76 0.02 . 2 . . . . 3 LYS HD2 . 6984 1 24 . 1 1 3 3 LYS HD3 H 1 1.64 0.02 . 2 . . . . 3 LYS HD3 . 6984 1 25 . 1 1 3 3 LYS HE2 H 1 3.25 0.02 . 2 . . . . 3 LYS HE2 . 6984 1 26 . 1 1 3 3 LYS HE3 H 1 3.08 0.02 . 2 . . . . 3 LYS HE3 . 6984 1 27 . 1 1 3 3 LYS C C 13 179.3 0.15 . 1 . . . . 3 LYS C . 6984 1 28 . 1 1 3 3 LYS CA C 13 59.1 0.25 . 1 . . . . 3 LYS CA . 6984 1 29 . 1 1 3 3 LYS CB C 13 32.2 0.21 . 1 . . . . 3 LYS CB . 6984 1 30 . 1 1 3 3 LYS CG C 13 24.8 0.15 . 1 . . . . 3 LYS CG . 6984 1 31 . 1 1 3 3 LYS CD C 13 28.9 0.15 . 1 . . . . 3 LYS CD . 6984 1 32 . 1 1 3 3 LYS CE C 13 41.8 0.15 . 1 . . . . 3 LYS CE . 6984 1 33 . 1 1 3 3 LYS N N 15 119.8 0.15 . 1 . . . . 3 LYS N . 6984 1 34 . 1 1 4 4 THR H H 1 7.95 0.02 . 1 . . . . 4 THR H . 6984 1 35 . 1 1 4 4 THR HA H 1 4.06 0.03 . 1 . . . . 4 THR HA . 6984 1 36 . 1 1 4 4 THR HB H 1 4.13 0.03 . 1 . . . . 4 THR HB . 6984 1 37 . 1 1 4 4 THR HG21 H 1 1.31 0.02 . 1 . . . . 4 THR HG2 . 6984 1 38 . 1 1 4 4 THR HG22 H 1 1.31 0.02 . 1 . . . . 4 THR HG2 . 6984 1 39 . 1 1 4 4 THR HG23 H 1 1.31 0.02 . 1 . . . . 4 THR HG2 . 6984 1 40 . 1 1 4 4 THR C C 13 175.7 0.15 . 1 . . . . 4 THR C . 6984 1 41 . 1 1 4 4 THR CA C 13 65.8 0.15 . 1 . . . . 4 THR CA . 6984 1 42 . 1 1 4 4 THR CB C 13 68.4 0.15 . 1 . . . . 4 THR CB . 6984 1 43 . 1 1 4 4 THR CG2 C 13 21.9 0.15 . 1 . . . . 4 THR CG2 . 6984 1 44 . 1 1 4 4 THR N N 15 117.7 0.15 . 1 . . . . 4 THR N . 6984 1 45 . 1 1 5 5 MET H H 1 8.00 0.02 . 1 . . . . 5 MET H . 6984 1 46 . 1 1 5 5 MET HA H 1 3.77 0.02 . 1 . . . . 5 MET HA . 6984 1 47 . 1 1 5 5 MET HB2 H 1 2.31 0.02 . 2 . . . . 5 MET HB2 . 6984 1 48 . 1 1 5 5 MET HB3 H 1 1.88 0.02 . 2 . . . . 5 MET HB3 . 6984 1 49 . 1 1 5 5 MET C C 13 177.5 0.15 . 1 . . . . 5 MET C . 6984 1 50 . 1 1 5 5 MET CA C 13 58.9 0.15 . 1 . . . . 5 MET CA . 6984 1 51 . 1 1 5 5 MET CB C 13 32.6 0.15 . 1 . . . . 5 MET CB . 6984 1 52 . 1 1 5 5 MET N N 15 120.7 0.15 . 1 . . . . 5 MET N . 6984 1 53 . 1 1 6 6 ALA H H 1 8.06 0.02 . 1 . . . . 6 ALA H . 6984 1 54 . 1 1 6 6 ALA HA H 1 3.99 0.04 . 1 . . . . 6 ALA HA . 6984 1 55 . 1 1 6 6 ALA HB1 H 1 1.34 0.04 . 1 . . . . 6 ALA HB . 6984 1 56 . 1 1 6 6 ALA HB2 H 1 1.34 0.04 . 1 . . . . 6 ALA HB . 6984 1 57 . 1 1 6 6 ALA HB3 H 1 1.34 0.04 . 1 . . . . 6 ALA HB . 6984 1 58 . 1 1 6 6 ALA C C 13 180.2 0.15 . 1 . . . . 6 ALA C . 6984 1 59 . 1 1 6 6 ALA CA C 13 54.8 0.15 . 1 . . . . 6 ALA CA . 6984 1 60 . 1 1 6 6 ALA CB C 13 18.0 0.15 . 1 . . . . 6 ALA CB . 6984 1 61 . 1 1 6 6 ALA N N 15 120.4 0.15 . 1 . . . . 6 ALA N . 6984 1 62 . 1 1 7 7 ALA H H 1 7.59 0.02 . 1 . . . . 7 ALA H . 6984 1 63 . 1 1 7 7 ALA HA H 1 4.21 0.04 . 1 . . . . 7 ALA HA . 6984 1 64 . 1 1 7 7 ALA HB1 H 1 1.66 0.03 . 1 . . . . 7 ALA HB . 6984 1 65 . 1 1 7 7 ALA HB2 H 1 1.66 0.03 . 1 . . . . 7 ALA HB . 6984 1 66 . 1 1 7 7 ALA HB3 H 1 1.66 0.03 . 1 . . . . 7 ALA HB . 6984 1 67 . 1 1 7 7 ALA C C 13 180.6 0.15 . 1 . . . . 7 ALA C . 6984 1 68 . 1 1 7 7 ALA CA C 13 54.7 0.15 . 1 . . . . 7 ALA CA . 6984 1 69 . 1 1 7 7 ALA CB C 13 18.4 0.15 . 1 . . . . 7 ALA CB . 6984 1 70 . 1 1 7 7 ALA N N 15 120.7 0.15 . 1 . . . . 7 ALA N . 6984 1 71 . 1 1 8 8 LEU H H 1 8.11 0.02 . 1 . . . . 8 LEU H . 6984 1 72 . 1 1 8 8 LEU HA H 1 3.73 0.02 . 1 . . . . 8 LEU HA . 6984 1 73 . 1 1 8 8 LEU HB2 H 1 1.27 0.02 . 2 . . . . 8 LEU HB2 . 6984 1 74 . 1 1 8 8 LEU HB3 H 1 1.16 0.02 . 2 . . . . 8 LEU HB3 . 6984 1 75 . 1 1 8 8 LEU HG H 1 1.32 0.03 . 1 . . . . 8 LEU HG . 6984 1 76 . 1 1 8 8 LEU HD11 H 1 0.33 0.02 . 2 . . . . 8 LEU HD1 . 6984 1 77 . 1 1 8 8 LEU HD12 H 1 0.33 0.02 . 2 . . . . 8 LEU HD1 . 6984 1 78 . 1 1 8 8 LEU HD13 H 1 0.33 0.02 . 2 . . . . 8 LEU HD1 . 6984 1 79 . 1 1 8 8 LEU HD21 H 1 0.23 0.02 . 2 . . . . 8 LEU HD2 . 6984 1 80 . 1 1 8 8 LEU HD22 H 1 0.23 0.02 . 2 . . . . 8 LEU HD2 . 6984 1 81 . 1 1 8 8 LEU HD23 H 1 0.23 0.02 . 2 . . . . 8 LEU HD2 . 6984 1 82 . 1 1 8 8 LEU C C 13 178.2 0.15 . 1 . . . . 8 LEU C . 6984 1 83 . 1 1 8 8 LEU CA C 13 57.3 0.15 . 1 . . . . 8 LEU CA . 6984 1 84 . 1 1 8 8 LEU CB C 13 41.4 0.16 . 1 . . . . 8 LEU CB . 6984 1 85 . 1 1 8 8 LEU CG C 13 26.6 0.15 . 1 . . . . 8 LEU CG . 6984 1 86 . 1 1 8 8 LEU CD1 C 13 23.8 0.15 . 1 . . . . 8 LEU CD1 . 6984 1 87 . 1 1 8 8 LEU N N 15 121.0 0.15 . 1 . . . . 8 LEU N . 6984 1 88 . 1 1 9 9 ALA H H 1 8.25 0.02 . 1 . . . . 9 ALA H . 6984 1 89 . 1 1 9 9 ALA HA H 1 3.99 0.04 . 1 . . . . 9 ALA HA . 6984 1 90 . 1 1 9 9 ALA HB1 H 1 1.42 0.02 . 1 . . . . 9 ALA HB . 6984 1 91 . 1 1 9 9 ALA HB2 H 1 1.42 0.02 . 1 . . . . 9 ALA HB . 6984 1 92 . 1 1 9 9 ALA HB3 H 1 1.42 0.02 . 1 . . . . 9 ALA HB . 6984 1 93 . 1 1 9 9 ALA C C 13 180.2 0.15 . 1 . . . . 9 ALA C . 6984 1 94 . 1 1 9 9 ALA CA C 13 55.3 0.15 . 1 . . . . 9 ALA CA . 6984 1 95 . 1 1 9 9 ALA CB C 13 18.0 0.15 . 1 . . . . 9 ALA CB . 6984 1 96 . 1 1 9 9 ALA N N 15 119.9 0.15 . 1 . . . . 9 ALA N . 6984 1 97 . 1 1 10 10 LYS H H 1 7.54 0.02 . 1 . . . . 10 LYS H . 6984 1 98 . 1 1 10 10 LYS HA H 1 4.13 0.02 . 1 . . . . 10 LYS HA . 6984 1 99 . 1 1 10 10 LYS HB2 H 1 1.94 0.02 . 1 . . . . 10 LYS HB2 . 6984 1 100 . 1 1 10 10 LYS HB3 H 1 1.94 0.02 . 1 . . . . 10 LYS HB3 . 6984 1 101 . 1 1 10 10 LYS HG2 H 1 1.42 0.02 . 1 . . . . 10 LYS HG2 . 6984 1 102 . 1 1 10 10 LYS HG3 H 1 1.42 0.02 . 1 . . . . 10 LYS HG3 . 6984 1 103 . 1 1 10 10 LYS HD2 H 1 1.79 0.02 . 1 . . . . 10 LYS HD2 . 6984 1 104 . 1 1 10 10 LYS HD3 H 1 1.79 0.02 . 1 . . . . 10 LYS HD3 . 6984 1 105 . 1 1 10 10 LYS HE2 H 1 3.35 0.02 . 1 . . . . 10 LYS HE2 . 6984 1 106 . 1 1 10 10 LYS HE3 H 1 3.35 0.02 . 1 . . . . 10 LYS HE3 . 6984 1 107 . 1 1 10 10 LYS C C 13 178.4 0.15 . 1 . . . . 10 LYS C . 6984 1 108 . 1 1 10 10 LYS CA C 13 58.6 0.15 . 1 . . . . 10 LYS CA . 6984 1 109 . 1 1 10 10 LYS CB C 13 32.1 0.15 . 1 . . . . 10 LYS CB . 6984 1 110 . 1 1 10 10 LYS CG C 13 24.7 0.15 . 1 . . . . 10 LYS CG . 6984 1 111 . 1 1 10 10 LYS CD C 13 28.9 0.15 . 1 . . . . 10 LYS CD . 6984 1 112 . 1 1 10 10 LYS CE C 13 41.7 0.15 . 1 . . . . 10 LYS CE . 6984 1 113 . 1 1 10 10 LYS N N 15 116.3 0.15 . 1 . . . . 10 LYS N . 6984 1 114 . 1 1 11 11 ALA H H 1 7.74 0.02 . 1 . . . . 11 ALA H . 6984 1 115 . 1 1 11 11 ALA HA H 1 4.30 0.05 . 1 . . . . 11 ALA HA . 6984 1 116 . 1 1 11 11 ALA HB1 H 1 1.53 0.02 . 1 . . . . 11 ALA HB . 6984 1 117 . 1 1 11 11 ALA HB2 H 1 1.53 0.02 . 1 . . . . 11 ALA HB . 6984 1 118 . 1 1 11 11 ALA HB3 H 1 1.53 0.02 . 1 . . . . 11 ALA HB . 6984 1 119 . 1 1 11 11 ALA C C 13 180.6 0.15 . 1 . . . . 11 ALA C . 6984 1 120 . 1 1 11 11 ALA CA C 13 54.9 0.15 . 1 . . . . 11 ALA CA . 6984 1 121 . 1 1 11 11 ALA CB C 13 18.8 0.15 . 1 . . . . 11 ALA CB . 6984 1 122 . 1 1 11 11 ALA N N 15 121.1 0.15 . 1 . . . . 11 ALA N . 6984 1 123 . 1 1 12 12 ILE H H 1 7.93 0.02 . 1 . . . . 12 ILE H . 6984 1 124 . 1 1 12 12 ILE HA H 1 3.97 0.03 . 1 . . . . 12 ILE HA . 6984 1 125 . 1 1 12 12 ILE HB H 1 1.87 0.02 . 1 . . . . 12 ILE HB . 6984 1 126 . 1 1 12 12 ILE HG12 H 1 1.33 0.02 . 2 . . . . 12 ILE HG12 . 6984 1 127 . 1 1 12 12 ILE HG13 H 1 1.00 0.02 . 2 . . . . 12 ILE HG13 . 6984 1 128 . 1 1 12 12 ILE HG21 H 1 0.59 0.02 . 1 . . . . 12 ILE HG2 . 6984 1 129 . 1 1 12 12 ILE HG22 H 1 0.59 0.02 . 1 . . . . 12 ILE HG2 . 6984 1 130 . 1 1 12 12 ILE HG23 H 1 0.59 0.02 . 1 . . . . 12 ILE HG2 . 6984 1 131 . 1 1 12 12 ILE HD11 H 1 0.52 0.02 . 1 . . . . 12 ILE HD1 . 6984 1 132 . 1 1 12 12 ILE HD12 H 1 0.52 0.02 . 1 . . . . 12 ILE HD1 . 6984 1 133 . 1 1 12 12 ILE HD13 H 1 0.52 0.02 . 1 . . . . 12 ILE HD1 . 6984 1 134 . 1 1 12 12 ILE C C 13 177.4 0.15 . 1 . . . . 12 ILE C . 6984 1 135 . 1 1 12 12 ILE CA C 13 63.0 0.15 . 1 . . . . 12 ILE CA . 6984 1 136 . 1 1 12 12 ILE CB C 13 37.7 0.15 . 1 . . . . 12 ILE CB . 6984 1 137 . 1 1 12 12 ILE CG1 C 13 27.7 0.15 . 1 . . . . 12 ILE CG1 . 6984 1 138 . 1 1 12 12 ILE CG2 C 13 17.4 0.15 . 1 . . . . 12 ILE CG2 . 6984 1 139 . 1 1 12 12 ILE CD1 C 13 13.2 0.15 . 1 . . . . 12 ILE CD1 . 6984 1 140 . 1 1 12 12 ILE N N 15 114.0 0.15 . 1 . . . . 12 ILE N . 6984 1 141 . 1 1 13 13 GLU H H 1 7.67 0.02 . 1 . . . . 13 GLU H . 6984 1 142 . 1 1 13 13 GLU HA H 1 3.99 0.02 . 1 . . . . 13 GLU HA . 6984 1 143 . 1 1 13 13 GLU HB2 H 1 2.18 0.02 . 2 . . . . 13 GLU HB2 . 6984 1 144 . 1 1 13 13 GLU HB3 H 1 2.19 0.02 . 2 . . . . 13 GLU HB3 . 6984 1 145 . 1 1 13 13 GLU HG2 H 1 2.70 0.02 . 2 . . . . 13 GLU HG2 . 6984 1 146 . 1 1 13 13 GLU HG3 H 1 2.43 0.02 . 2 . . . . 13 GLU HG3 . 6984 1 147 . 1 1 13 13 GLU C C 13 177.6 0.15 . 1 . . . . 13 GLU C . 6984 1 148 . 1 1 13 13 GLU CA C 13 58.8 0.21 . 1 . . . . 13 GLU CA . 6984 1 149 . 1 1 13 13 GLU CB C 13 29.8 0.23 . 1 . . . . 13 GLU CB . 6984 1 150 . 1 1 13 13 GLU CG C 13 36.3 0.15 . 1 . . . . 13 GLU CG . 6984 1 151 . 1 1 13 13 GLU N N 15 119.0 0.15 . 1 . . . . 13 GLU N . 6984 1 152 . 1 1 14 14 LYS H H 1 7.71 0.02 . 1 . . . . 14 LYS H . 6984 1 153 . 1 1 14 14 LYS HA H 1 4.41 0.02 . 1 . . . . 14 LYS HA . 6984 1 154 . 1 1 14 14 LYS HB2 H 1 2.10 0.02 . 2 . . . . 14 LYS HB2 . 6984 1 155 . 1 1 14 14 LYS HB3 H 1 1.91 0.02 . 2 . . . . 14 LYS HB3 . 6984 1 156 . 1 1 14 14 LYS HG2 H 1 1.53 0.02 . 2 . . . . 14 LYS HG2 . 6984 1 157 . 1 1 14 14 LYS HG3 H 1 1.40 0.02 . 2 . . . . 14 LYS HG3 . 6984 1 158 . 1 1 14 14 LYS HD2 H 1 1.68 0.02 . 1 . . . . 14 LYS HD2 . 6984 1 159 . 1 1 14 14 LYS HD3 H 1 1.68 0.02 . 1 . . . . 14 LYS HD3 . 6984 1 160 . 1 1 14 14 LYS HE2 H 1 3.03 0.02 . 2 . . . . 14 LYS HE2 . 6984 1 161 . 1 1 14 14 LYS HE3 H 1 2.98 0.02 . 2 . . . . 14 LYS HE3 . 6984 1 162 . 1 1 14 14 LYS C C 13 176.4 0.15 . 1 . . . . 14 LYS C . 6984 1 163 . 1 1 14 14 LYS CA C 13 56.1 0.15 . 1 . . . . 14 LYS CA . 6984 1 164 . 1 1 14 14 LYS CB C 13 32.9 0.15 . 1 . . . . 14 LYS CB . 6984 1 165 . 1 1 14 14 LYS CG C 13 25.0 0.15 . 1 . . . . 14 LYS CG . 6984 1 166 . 1 1 14 14 LYS CD C 13 29.0 0.15 . 1 . . . . 14 LYS CD . 6984 1 167 . 1 1 14 14 LYS CE C 13 41.9 0.15 . 1 . . . . 14 LYS CE . 6984 1 168 . 1 1 14 14 LYS N N 15 114.3 0.15 . 1 . . . . 14 LYS N . 6984 1 169 . 1 1 15 15 ASN H H 1 7.75 0.02 . 1 . . . . 15 ASN H . 6984 1 170 . 1 1 15 15 ASN HA H 1 4.85 0.03 . 1 . . . . 15 ASN HA . 6984 1 171 . 1 1 15 15 ASN HB2 H 1 3.09 0.02 . 2 . . . . 15 ASN HB2 . 6984 1 172 . 1 1 15 15 ASN HB3 H 1 2.97 0.04 . 2 . . . . 15 ASN HB3 . 6984 1 173 . 1 1 15 15 ASN C C 13 177.1 0.15 . 1 . . . . 15 ASN C . 6984 1 174 . 1 1 15 15 ASN CA C 13 53.9 0.15 . 1 . . . . 15 ASN CA . 6984 1 175 . 1 1 15 15 ASN CB C 13 40.4 0.20 . 1 . . . . 15 ASN CB . 6984 1 176 . 1 1 15 15 ASN N N 15 119.7 0.15 . 1 . . . . 15 ASN N . 6984 1 177 . 1 1 16 16 VAL H H 1 8.69 0.02 . 1 . . . . 16 VAL H . 6984 1 178 . 1 1 16 16 VAL HA H 1 4.08 0.02 . 1 . . . . 16 VAL HA . 6984 1 179 . 1 1 16 16 VAL HB H 1 2.29 0.03 . 1 . . . . 16 VAL HB . 6984 1 180 . 1 1 16 16 VAL HG11 H 1 1.08 0.03 . 2 . . . . 16 VAL HG1 . 6984 1 181 . 1 1 16 16 VAL HG12 H 1 1.08 0.03 . 2 . . . . 16 VAL HG1 . 6984 1 182 . 1 1 16 16 VAL HG13 H 1 1.08 0.03 . 2 . . . . 16 VAL HG1 . 6984 1 183 . 1 1 16 16 VAL HG21 H 1 1.08 0.03 . 2 . . . . 16 VAL HG2 . 6984 1 184 . 1 1 16 16 VAL HG22 H 1 1.08 0.03 . 2 . . . . 16 VAL HG2 . 6984 1 185 . 1 1 16 16 VAL HG23 H 1 1.08 0.03 . 2 . . . . 16 VAL HG2 . 6984 1 186 . 1 1 16 16 VAL CA C 13 64.6 0.15 . 1 . . . . 16 VAL CA . 6984 1 187 . 1 1 16 16 VAL CB C 13 31.7 0.15 . 1 . . . . 16 VAL CB . 6984 1 188 . 1 1 16 16 VAL CG1 C 13 20.5 0.15 . 1 . . . . 16 VAL CG1 . 6984 1 189 . 1 1 16 16 VAL CG2 C 13 20.5 0.15 . 1 . . . . 16 VAL CG2 . 6984 1 190 . 1 1 16 16 VAL N N 15 125.7 0.15 . 1 . . . . 16 VAL N . 6984 1 191 . 1 1 17 17 LEU H H 1 8.42 0.02 . 1 . . . . 17 LEU H . 6984 1 192 . 1 1 17 17 LEU HA H 1 3.98 0.02 . 1 . . . . 17 LEU HA . 6984 1 193 . 1 1 17 17 LEU HB2 H 1 1.04 0.02 . 2 . . . . 17 LEU HB2 . 6984 1 194 . 1 1 17 17 LEU HB3 H 1 0.81 0.02 . 2 . . . . 17 LEU HB3 . 6984 1 195 . 1 1 17 17 LEU HG H 1 1.28 0.02 . 1 . . . . 17 LEU HG . 6984 1 196 . 1 1 17 17 LEU HD11 H 1 0.53 0.02 . 2 . . . . 17 LEU HD1 . 6984 1 197 . 1 1 17 17 LEU HD12 H 1 0.53 0.02 . 2 . . . . 17 LEU HD1 . 6984 1 198 . 1 1 17 17 LEU HD13 H 1 0.53 0.02 . 2 . . . . 17 LEU HD1 . 6984 1 199 . 1 1 17 17 LEU HD21 H 1 0.50 0.02 . 2 . . . . 17 LEU HD2 . 6984 1 200 . 1 1 17 17 LEU HD22 H 1 0.50 0.02 . 2 . . . . 17 LEU HD2 . 6984 1 201 . 1 1 17 17 LEU HD23 H 1 0.50 0.02 . 2 . . . . 17 LEU HD2 . 6984 1 202 . 1 1 17 17 LEU C C 13 177.8 0.15 . 1 . . . . 17 LEU C . 6984 1 203 . 1 1 17 17 LEU CA C 13 56.9 0.15 . 1 . . . . 17 LEU CA . 6984 1 204 . 1 1 17 17 LEU CB C 13 41.7 0.15 . 1 . . . . 17 LEU CB . 6984 1 205 . 1 1 17 17 LEU CG C 13 27.2 0.15 . 1 . . . . 17 LEU CG . 6984 1 206 . 1 1 17 17 LEU CD1 C 13 25.0 0.18 . 1 . . . . 17 LEU CD1 . 6984 1 207 . 1 1 17 17 LEU CD2 C 13 23.6 0.15 . 1 . . . . 17 LEU CD2 . 6984 1 208 . 1 1 17 17 LEU N N 15 121.4 0.15 . 1 . . . . 17 LEU N . 6984 1 209 . 1 1 18 18 PHE H H 1 7.63 0.02 . 1 . . . . 18 PHE H . 6984 1 210 . 1 1 18 18 PHE HA H 1 4.64 0.02 . 1 . . . . 18 PHE HA . 6984 1 211 . 1 1 18 18 PHE HB2 H 1 3.25 0.02 . 2 . . . . 18 PHE HB2 . 6984 1 212 . 1 1 18 18 PHE HB3 H 1 3.10 0.02 . 2 . . . . 18 PHE HB3 . 6984 1 213 . 1 1 18 18 PHE HD1 H 1 7.16 0.02 . 1 . . . . 18 PHE HD1 . 6984 1 214 . 1 1 18 18 PHE HD2 H 1 7.16 0.02 . 1 . . . . 18 PHE HD2 . 6984 1 215 . 1 1 18 18 PHE C C 13 177.3 0.15 . 1 . . . . 18 PHE C . 6984 1 216 . 1 1 18 18 PHE CA C 13 56.7 0.15 . 1 . . . . 18 PHE CA . 6984 1 217 . 1 1 18 18 PHE CB C 13 39.9 0.15 . 1 . . . . 18 PHE CB . 6984 1 218 . 1 1 18 18 PHE N N 15 113.2 0.15 . 1 . . . . 18 PHE N . 6984 1 219 . 1 1 19 19 SER H H 1 7.83 0.02 . 1 . . . . 19 SER H . 6984 1 220 . 1 1 19 19 SER HA H 1 4.20 0.02 . 1 . . . . 19 SER HA . 6984 1 221 . 1 1 19 19 SER CA C 13 61.3 0.15 . 1 . . . . 19 SER CA . 6984 1 222 . 1 1 19 19 SER CB C 13 63.7 0.15 . 1 . . . . 19 SER CB . 6984 1 223 . 1 1 19 19 SER N N 15 115.0 0.15 . 1 . . . . 19 SER N . 6984 1 224 . 1 1 20 20 HIS HA H 1 4.73 0.05 . 1 . . . . 20 HIS HA . 6984 1 225 . 1 1 20 20 HIS HB2 H 1 3.26 0.02 . 2 . . . . 20 HIS HB2 . 6984 1 226 . 1 1 20 20 HIS HB3 H 1 3.12 0.02 . 2 . . . . 20 HIS HB3 . 6984 1 227 . 1 1 20 20 HIS C C 13 175.0 0.15 . 1 . . . . 20 HIS C . 6984 1 228 . 1 1 20 20 HIS CA C 13 55.9 0.15 . 1 . . . . 20 HIS CA . 6984 1 229 . 1 1 20 20 HIS CB C 13 29.5 0.15 . 1 . . . . 20 HIS CB . 6984 1 230 . 1 1 21 21 LEU H H 1 7.22 0.02 . 1 . . . . 21 LEU H . 6984 1 231 . 1 1 21 21 LEU HA H 1 4.50 0.02 . 1 . . . . 21 LEU HA . 6984 1 232 . 1 1 21 21 LEU HB2 H 1 1.76 0.02 . 2 . . . . 21 LEU HB2 . 6984 1 233 . 1 1 21 21 LEU HB3 H 1 1.57 0.02 . 2 . . . . 21 LEU HB3 . 6984 1 234 . 1 1 21 21 LEU HG H 1 0.84 0.02 . 1 . . . . 21 LEU HG . 6984 1 235 . 1 1 21 21 LEU HD11 H 1 0.70 0.02 . 2 . . . . 21 LEU HD1 . 6984 1 236 . 1 1 21 21 LEU HD12 H 1 0.70 0.02 . 2 . . . . 21 LEU HD1 . 6984 1 237 . 1 1 21 21 LEU HD13 H 1 0.70 0.02 . 2 . . . . 21 LEU HD1 . 6984 1 238 . 1 1 21 21 LEU HD21 H 1 0.66 0.02 . 2 . . . . 21 LEU HD2 . 6984 1 239 . 1 1 21 21 LEU HD22 H 1 0.66 0.02 . 2 . . . . 21 LEU HD2 . 6984 1 240 . 1 1 21 21 LEU HD23 H 1 0.66 0.02 . 2 . . . . 21 LEU HD2 . 6984 1 241 . 1 1 21 21 LEU C C 13 177.4 0.15 . 1 . . . . 21 LEU C . 6984 1 242 . 1 1 21 21 LEU CA C 13 54.2 0.15 . 1 . . . . 21 LEU CA . 6984 1 243 . 1 1 21 21 LEU CB C 13 42.4 0.15 . 1 . . . . 21 LEU CB . 6984 1 244 . 1 1 21 21 LEU CG C 13 26.6 0.15 . 1 . . . . 21 LEU CG . 6984 1 245 . 1 1 21 21 LEU CD1 C 13 22.4 0.15 . 1 . . . . 21 LEU CD1 . 6984 1 246 . 1 1 21 21 LEU CD2 C 13 22.4 0.15 . 1 . . . . 21 LEU CD2 . 6984 1 247 . 1 1 21 21 LEU N N 15 120.6 0.15 . 1 . . . . 21 LEU N . 6984 1 248 . 1 1 22 22 ASP H H 1 9.26 0.02 . 1 . . . . 22 ASP H . 6984 1 249 . 1 1 22 22 ASP HA H 1 4.74 0.02 . 1 . . . . 22 ASP HA . 6984 1 250 . 1 1 22 22 ASP HB2 H 1 3.14 0.02 . 2 . . . . 22 ASP HB2 . 6984 1 251 . 1 1 22 22 ASP HB3 H 1 2.77 0.02 . 2 . . . . 22 ASP HB3 . 6984 1 252 . 1 1 22 22 ASP C C 13 176.7 0.15 . 1 . . . . 22 ASP C . 6984 1 253 . 1 1 22 22 ASP CA C 13 52.6 0.15 . 1 . . . . 22 ASP CA . 6984 1 254 . 1 1 22 22 ASP CB C 13 41.2 0.15 . 1 . . . . 22 ASP CB . 6984 1 255 . 1 1 22 22 ASP N N 15 123.6 0.15 . 1 . . . . 22 ASP N . 6984 1 256 . 1 1 23 23 ASP H H 1 8.40 0.02 . 1 . . . . 23 ASP H . 6984 1 257 . 1 1 23 23 ASP HA H 1 4.31 0.04 . 1 . . . . 23 ASP HA . 6984 1 258 . 1 1 23 23 ASP HB2 H 1 2.71 0.02 . 2 . . . . 23 ASP HB2 . 6984 1 259 . 1 1 23 23 ASP HB3 H 1 2.62 0.02 . 2 . . . . 23 ASP HB3 . 6984 1 260 . 1 1 23 23 ASP C C 13 178.8 0.15 . 1 . . . . 23 ASP C . 6984 1 261 . 1 1 23 23 ASP CA C 13 58.1 0.15 . 1 . . . . 23 ASP CA . 6984 1 262 . 1 1 23 23 ASP CB C 13 40.9 0.15 . 1 . . . . 23 ASP CB . 6984 1 263 . 1 1 23 23 ASP N N 15 117.1 0.15 . 1 . . . . 23 ASP N . 6984 1 264 . 1 1 24 24 ASN H H 1 8.30 0.02 . 1 . . . . 24 ASN H . 6984 1 265 . 1 1 24 24 ASN HA H 1 4.47 0.02 . 1 . . . . 24 ASN HA . 6984 1 266 . 1 1 24 24 ASN HB2 H 1 3.01 0.02 . 2 . . . . 24 ASN HB2 . 6984 1 267 . 1 1 24 24 ASN HB3 H 1 2.92 0.02 . 2 . . . . 24 ASN HB3 . 6984 1 268 . 1 1 24 24 ASN HD21 H 1 7.78 0.02 . 2 . . . . 24 ASN HD21 . 6984 1 269 . 1 1 24 24 ASN HD22 H 1 6.96 0.02 . 2 . . . . 24 ASN HD22 . 6984 1 270 . 1 1 24 24 ASN CA C 13 56.1 0.15 . 1 . . . . 24 ASN CA . 6984 1 271 . 1 1 24 24 ASN CB C 13 38.0 0.15 . 1 . . . . 24 ASN CB . 6984 1 272 . 1 1 24 24 ASN CG C 13 176.2 0.15 . 1 . . . . 24 ASN CG . 6984 1 273 . 1 1 24 24 ASN N N 15 118.8 0.15 . 1 . . . . 24 ASN N . 6984 1 274 . 1 1 24 24 ASN ND2 N 15 113.7 0.27 . 1 . . . . 24 ASN ND2 . 6984 1 275 . 1 1 25 25 GLU H H 1 8.41 0.02 . 1 . . . . 25 GLU H . 6984 1 276 . 1 1 25 25 GLU HA H 1 4.05 0.02 . 1 . . . . 25 GLU HA . 6984 1 277 . 1 1 25 25 GLU HB2 H 1 2.34 0.02 . 2 . . . . 25 GLU HB2 . 6984 1 278 . 1 1 25 25 GLU HB3 H 1 1.80 0.02 . 2 . . . . 25 GLU HB3 . 6984 1 279 . 1 1 25 25 GLU C C 13 178.8 0.15 . 1 . . . . 25 GLU C . 6984 1 280 . 1 1 25 25 GLU CA C 13 58.8 0.15 . 1 . . . . 25 GLU CA . 6984 1 281 . 1 1 25 25 GLU CB C 13 30.9 0.15 . 1 . . . . 25 GLU CB . 6984 1 282 . 1 1 25 25 GLU N N 15 121.4 0.15 . 1 . . . . 25 GLU N . 6984 1 283 . 1 1 26 26 ARG H H 1 8.38 0.02 . 1 . . . . 26 ARG H . 6984 1 284 . 1 1 26 26 ARG HA H 1 3.58 0.02 . 1 . . . . 26 ARG HA . 6984 1 285 . 1 1 26 26 ARG HB2 H 1 1.81 0.02 . 2 . . . . 26 ARG HB2 . 6984 1 286 . 1 1 26 26 ARG HB3 H 1 1.58 0.02 . 2 . . . . 26 ARG HB3 . 6984 1 287 . 1 1 26 26 ARG HG2 H 1 1.69 0.02 . 2 . . . . 26 ARG HG2 . 6984 1 288 . 1 1 26 26 ARG HG3 H 1 1.64 0.02 . 2 . . . . 26 ARG HG3 . 6984 1 289 . 1 1 26 26 ARG HD2 H 1 3.22 0.02 . 1 . . . . 26 ARG HD2 . 6984 1 290 . 1 1 26 26 ARG HD3 H 1 3.22 0.02 . 1 . . . . 26 ARG HD3 . 6984 1 291 . 1 1 26 26 ARG C C 13 177.3 0.15 . 1 . . . . 26 ARG C . 6984 1 292 . 1 1 26 26 ARG CA C 13 59.9 0.15 . 1 . . . . 26 ARG CA . 6984 1 293 . 1 1 26 26 ARG CB C 13 30.0 0.15 . 1 . . . . 26 ARG CB . 6984 1 294 . 1 1 26 26 ARG CG C 13 27.5 0.15 . 1 . . . . 26 ARG CG . 6984 1 295 . 1 1 26 26 ARG CD C 13 43.4 0.15 . 1 . . . . 26 ARG CD . 6984 1 296 . 1 1 26 26 ARG N N 15 117.1 0.15 . 1 . . . . 26 ARG N . 6984 1 297 . 1 1 27 27 SER H H 1 7.63 0.02 . 1 . . . . 27 SER H . 6984 1 298 . 1 1 27 27 SER HA H 1 4.12 0.05 . 1 . . . . 27 SER HA . 6984 1 299 . 1 1 27 27 SER HB2 H 1 4.12 0.05 . 1 . . . . 27 SER HB2 . 6984 1 300 . 1 1 27 27 SER HB3 H 1 4.12 0.05 . 1 . . . . 27 SER HB3 . 6984 1 301 . 1 1 27 27 SER C C 13 176.4 0.15 . 1 . . . . 27 SER C . 6984 1 302 . 1 1 27 27 SER CA C 13 61.9 0.15 . 1 . . . . 27 SER CA . 6984 1 303 . 1 1 27 27 SER CB C 13 62.7 0.15 . 1 . . . . 27 SER CB . 6984 1 304 . 1 1 27 27 SER N N 15 112.9 0.15 . 1 . . . . 27 SER N . 6984 1 305 . 1 1 28 28 ASP H H 1 7.78 0.02 . 1 . . . . 28 ASP H . 6984 1 306 . 1 1 28 28 ASP HA H 1 4.44 0.03 . 1 . . . . 28 ASP HA . 6984 1 307 . 1 1 28 28 ASP HB2 H 1 2.87 0.02 . 2 . . . . 28 ASP HB2 . 6984 1 308 . 1 1 28 28 ASP HB3 H 1 2.58 0.02 . 2 . . . . 28 ASP HB3 . 6984 1 309 . 1 1 28 28 ASP C C 13 179.4 0.15 . 1 . . . . 28 ASP C . 6984 1 310 . 1 1 28 28 ASP CA C 13 57.2 0.15 . 1 . . . . 28 ASP CA . 6984 1 311 . 1 1 28 28 ASP CB C 13 40.5 0.15 . 1 . . . . 28 ASP CB . 6984 1 312 . 1 1 28 28 ASP N N 15 120.6 0.15 . 1 . . . . 28 ASP N . 6984 1 313 . 1 1 29 29 ILE H H 1 7.99 0.02 . 1 . . . . 29 ILE H . 6984 1 314 . 1 1 29 29 ILE HA H 1 3.76 0.02 . 1 . . . . 29 ILE HA . 6984 1 315 . 1 1 29 29 ILE HB H 1 1.86 0.02 . 1 . . . . 29 ILE HB . 6984 1 316 . 1 1 29 29 ILE HG12 H 1 1.45 0.02 . 2 . . . . 29 ILE HG12 . 6984 1 317 . 1 1 29 29 ILE HG13 H 1 1.30 0.02 . 2 . . . . 29 ILE HG13 . 6984 1 318 . 1 1 29 29 ILE HG21 H 1 0.72 0.02 . 1 . . . . 29 ILE HG2 . 6984 1 319 . 1 1 29 29 ILE HG22 H 1 0.72 0.02 . 1 . . . . 29 ILE HG2 . 6984 1 320 . 1 1 29 29 ILE HG23 H 1 0.72 0.02 . 1 . . . . 29 ILE HG2 . 6984 1 321 . 1 1 29 29 ILE HD11 H 1 0.67 0.02 . 1 . . . . 29 ILE HD1 . 6984 1 322 . 1 1 29 29 ILE HD12 H 1 0.67 0.02 . 1 . . . . 29 ILE HD1 . 6984 1 323 . 1 1 29 29 ILE HD13 H 1 0.67 0.02 . 1 . . . . 29 ILE HD1 . 6984 1 324 . 1 1 29 29 ILE C C 13 177.4 0.15 . 1 . . . . 29 ILE C . 6984 1 325 . 1 1 29 29 ILE CA C 13 63.4 0.15 . 1 . . . . 29 ILE CA . 6984 1 326 . 1 1 29 29 ILE CB C 13 36.5 0.15 . 1 . . . . 29 ILE CB . 6984 1 327 . 1 1 29 29 ILE CG1 C 13 28.9 0.15 . 1 . . . . 29 ILE CG1 . 6984 1 328 . 1 1 29 29 ILE CG2 C 13 17.4 0.15 . 1 . . . . 29 ILE CG2 . 6984 1 329 . 1 1 29 29 ILE CD1 C 13 12.9 0.15 . 1 . . . . 29 ILE CD1 . 6984 1 330 . 1 1 29 29 ILE N N 15 120.8 0.15 . 1 . . . . 29 ILE N . 6984 1 331 . 1 1 30 30 PHE H H 1 7.84 0.02 . 1 . . . . 30 PHE H . 6984 1 332 . 1 1 30 30 PHE HA H 1 4.27 0.02 . 1 . . . . 30 PHE HA . 6984 1 333 . 1 1 30 30 PHE HB2 H 1 3.25 0.02 . 2 . . . . 30 PHE HB2 . 6984 1 334 . 1 1 30 30 PHE HB3 H 1 3.11 0.02 . 2 . . . . 30 PHE HB3 . 6984 1 335 . 1 1 30 30 PHE HD1 H 1 7.13 0.02 . 1 . . . . 30 PHE HD1 . 6984 1 336 . 1 1 30 30 PHE HD2 H 1 7.13 0.02 . 1 . . . . 30 PHE HD2 . 6984 1 337 . 1 1 30 30 PHE HE1 H 1 7.00 0.02 . 1 . . . . 30 PHE HE1 . 6984 1 338 . 1 1 30 30 PHE HE2 H 1 7.00 0.02 . 1 . . . . 30 PHE HE2 . 6984 1 339 . 1 1 30 30 PHE C C 13 178.3 0.15 . 1 . . . . 30 PHE C . 6984 1 340 . 1 1 30 30 PHE CA C 13 60.0 0.15 . 1 . . . . 30 PHE CA . 6984 1 341 . 1 1 30 30 PHE CB C 13 38.0 0.15 . 1 . . . . 30 PHE CB . 6984 1 342 . 1 1 30 30 PHE N N 15 119.2 0.15 . 1 . . . . 30 PHE N . 6984 1 343 . 1 1 31 31 ASP H H 1 7.82 0.02 . 1 . . . . 31 ASP H . 6984 1 344 . 1 1 31 31 ASP HA H 1 4.59 0.02 . 1 . . . . 31 ASP HA . 6984 1 345 . 1 1 31 31 ASP HB2 H 1 2.83 0.02 . 2 . . . . 31 ASP HB2 . 6984 1 346 . 1 1 31 31 ASP HB3 H 1 2.75 0.02 . 2 . . . . 31 ASP HB3 . 6984 1 347 . 1 1 31 31 ASP C C 13 176.8 0.15 . 1 . . . . 31 ASP C . 6984 1 348 . 1 1 31 31 ASP CA C 13 56.4 0.15 . 1 . . . . 31 ASP CA . 6984 1 349 . 1 1 31 31 ASP CB C 13 41.5 0.15 . 1 . . . . 31 ASP CB . 6984 1 350 . 1 1 31 31 ASP N N 15 116.5 0.15 . 1 . . . . 31 ASP N . 6984 1 351 . 1 1 32 32 ALA H H 1 7.58 0.02 . 1 . . . . 32 ALA H . 6984 1 352 . 1 1 32 32 ALA HA H 1 4.59 0.02 . 1 . . . . 32 ALA HA . 6984 1 353 . 1 1 32 32 ALA HB1 H 1 1.63 0.04 . 1 . . . . 32 ALA HB . 6984 1 354 . 1 1 32 32 ALA HB2 H 1 1.63 0.04 . 1 . . . . 32 ALA HB . 6984 1 355 . 1 1 32 32 ALA HB3 H 1 1.63 0.04 . 1 . . . . 32 ALA HB . 6984 1 356 . 1 1 32 32 ALA C C 13 178.0 0.15 . 1 . . . . 32 ALA C . 6984 1 357 . 1 1 32 32 ALA CA C 13 52.4 0.15 . 1 . . . . 32 ALA CA . 6984 1 358 . 1 1 32 32 ALA CB C 13 20.1 0.15 . 1 . . . . 32 ALA CB . 6984 1 359 . 1 1 32 32 ALA N N 15 120.2 0.15 . 1 . . . . 32 ALA N . 6984 1 360 . 1 1 33 33 MET H H 1 7.42 0.02 . 1 . . . . 33 MET H . 6984 1 361 . 1 1 33 33 MET HA H 1 5.12 0.02 . 1 . . . . 33 MET HA . 6984 1 362 . 1 1 33 33 MET HB2 H 1 2.08 0.02 . 2 . . . . 33 MET HB2 . 6984 1 363 . 1 1 33 33 MET HB3 H 1 2.04 0.02 . 2 . . . . 33 MET HB3 . 6984 1 364 . 1 1 33 33 MET C C 13 176.3 0.15 . 1 . . . . 33 MET C . 6984 1 365 . 1 1 33 33 MET CA C 13 56.8 0.15 . 1 . . . . 33 MET CA . 6984 1 366 . 1 1 33 33 MET CB C 13 35.6 0.15 . 1 . . . . 33 MET CB . 6984 1 367 . 1 1 33 33 MET N N 15 118.2 0.15 . 1 . . . . 33 MET N . 6984 1 368 . 1 1 34 34 PHE H H 1 8.90 0.02 . 1 . . . . 34 PHE H . 6984 1 369 . 1 1 34 34 PHE HA H 1 5.63 0.02 . 1 . . . . 34 PHE HA . 6984 1 370 . 1 1 34 34 PHE HB2 H 1 3.19 0.02 . 2 . . . . 34 PHE HB2 . 6984 1 371 . 1 1 34 34 PHE HB3 H 1 3.27 0.02 . 2 . . . . 34 PHE HB3 . 6984 1 372 . 1 1 34 34 PHE HD1 H 1 7.20 0.02 . 1 . . . . 34 PHE HD1 . 6984 1 373 . 1 1 34 34 PHE HD2 H 1 7.20 0.02 . 1 . . . . 34 PHE HD2 . 6984 1 374 . 1 1 34 34 PHE CA C 13 52.5 0.15 . 1 . . . . 34 PHE CA . 6984 1 375 . 1 1 34 34 PHE CB C 13 39.6 0.15 . 1 . . . . 34 PHE CB . 6984 1 376 . 1 1 34 34 PHE N N 15 118.5 0.15 . 1 . . . . 34 PHE N . 6984 1 377 . 1 1 35 35 PRO HA H 1 4.69 0.02 . 1 . . . . 35 PRO HA . 6984 1 378 . 1 1 35 35 PRO CA C 13 61.8 0.15 . 1 . . . . 35 PRO CA . 6984 1 379 . 1 1 35 35 PRO CB C 13 31.4 0.15 . 1 . . . . 35 PRO CB . 6984 1 380 . 1 1 36 36 VAL H H 1 8.51 0.02 . 1 . . . . 36 VAL H . 6984 1 381 . 1 1 36 36 VAL HA H 1 4.42 0.04 . 1 . . . . 36 VAL HA . 6984 1 382 . 1 1 36 36 VAL HB H 1 2.17 0.04 . 1 . . . . 36 VAL HB . 6984 1 383 . 1 1 36 36 VAL HG11 H 1 1.11 0.02 . 2 . . . . 36 VAL HG1 . 6984 1 384 . 1 1 36 36 VAL HG12 H 1 1.11 0.02 . 2 . . . . 36 VAL HG1 . 6984 1 385 . 1 1 36 36 VAL HG13 H 1 1.11 0.02 . 2 . . . . 36 VAL HG1 . 6984 1 386 . 1 1 36 36 VAL HG21 H 1 1.03 0.02 . 2 . . . . 36 VAL HG2 . 6984 1 387 . 1 1 36 36 VAL HG22 H 1 1.03 0.02 . 2 . . . . 36 VAL HG2 . 6984 1 388 . 1 1 36 36 VAL HG23 H 1 1.03 0.02 . 2 . . . . 36 VAL HG2 . 6984 1 389 . 1 1 36 36 VAL C C 13 173.0 0.15 . 1 . . . . 36 VAL C . 6984 1 390 . 1 1 36 36 VAL CA C 13 61.4 0.15 . 1 . . . . 36 VAL CA . 6984 1 391 . 1 1 36 36 VAL CB C 13 35.3 0.15 . 1 . . . . 36 VAL CB . 6984 1 392 . 1 1 36 36 VAL CG1 C 13 21.9 0.15 . 1 . . . . 36 VAL CG1 . 6984 1 393 . 1 1 36 36 VAL CG2 C 13 21.9 0.15 . 1 . . . . 36 VAL CG2 . 6984 1 394 . 1 1 36 36 VAL N N 15 119.3 0.15 . 1 . . . . 36 VAL N . 6984 1 395 . 1 1 37 37 SER H H 1 8.07 0.02 . 1 . . . . 37 SER H . 6984 1 396 . 1 1 37 37 SER HA H 1 5.33 0.02 . 1 . . . . 37 SER HA . 6984 1 397 . 1 1 37 37 SER HB2 H 1 3.76 0.02 . 2 . . . . 37 SER HB2 . 6984 1 398 . 1 1 37 37 SER HB3 H 1 3.84 0.02 . 2 . . . . 37 SER HB3 . 6984 1 399 . 1 1 37 37 SER C C 13 172.4 0.15 . 1 . . . . 37 SER C . 6984 1 400 . 1 1 37 37 SER CA C 13 56.9 0.15 . 1 . . . . 37 SER CA . 6984 1 401 . 1 1 37 37 SER CB C 13 66.0 0.15 . 1 . . . . 37 SER CB . 6984 1 402 . 1 1 37 37 SER N N 15 120.2 0.15 . 1 . . . . 37 SER N . 6984 1 403 . 1 1 38 38 PHE H H 1 8.24 0.02 . 1 . . . . 38 PHE H . 6984 1 404 . 1 1 38 38 PHE HA H 1 4.89 0.03 . 1 . . . . 38 PHE HA . 6984 1 405 . 1 1 38 38 PHE HB2 H 1 3.12 0.02 . 2 . . . . 38 PHE HB2 . 6984 1 406 . 1 1 38 38 PHE HB3 H 1 2.39 0.02 . 2 . . . . 38 PHE HB3 . 6984 1 407 . 1 1 38 38 PHE HD1 H 1 7.02 0.03 . 1 . . . . 38 PHE HD1 . 6984 1 408 . 1 1 38 38 PHE HD2 H 1 7.02 0.03 . 1 . . . . 38 PHE HD2 . 6984 1 409 . 1 1 38 38 PHE C C 13 175.1 0.15 . 1 . . . . 38 PHE C . 6984 1 410 . 1 1 38 38 PHE CA C 13 57.0 0.15 . 1 . . . . 38 PHE CA . 6984 1 411 . 1 1 38 38 PHE CB C 13 43.4 0.15 . 1 . . . . 38 PHE CB . 6984 1 412 . 1 1 38 38 PHE N N 15 117.2 0.15 . 1 . . . . 38 PHE N . 6984 1 413 . 1 1 39 39 ILE H H 1 9.29 0.02 . 1 . . . . 39 ILE H . 6984 1 414 . 1 1 39 39 ILE HA H 1 4.55 0.03 . 1 . . . . 39 ILE HA . 6984 1 415 . 1 1 39 39 ILE HB H 1 1.99 0.05 . 1 . . . . 39 ILE HB . 6984 1 416 . 1 1 39 39 ILE HG12 H 1 1.31 0.04 . 2 . . . . 39 ILE HG12 . 6984 1 417 . 1 1 39 39 ILE HG13 H 1 1.48 0.02 . 2 . . . . 39 ILE HG13 . 6984 1 418 . 1 1 39 39 ILE HG21 H 1 1.06 0.03 . 1 . . . . 39 ILE HG2 . 6984 1 419 . 1 1 39 39 ILE HG22 H 1 1.06 0.03 . 1 . . . . 39 ILE HG2 . 6984 1 420 . 1 1 39 39 ILE HG23 H 1 1.06 0.03 . 1 . . . . 39 ILE HG2 . 6984 1 421 . 1 1 39 39 ILE HD11 H 1 0.91 0.04 . 1 . . . . 39 ILE HD1 . 6984 1 422 . 1 1 39 39 ILE HD12 H 1 0.91 0.04 . 1 . . . . 39 ILE HD1 . 6984 1 423 . 1 1 39 39 ILE HD13 H 1 0.91 0.04 . 1 . . . . 39 ILE HD1 . 6984 1 424 . 1 1 39 39 ILE C C 13 175.0 0.15 . 1 . . . . 39 ILE C . 6984 1 425 . 1 1 39 39 ILE CA C 13 59.5 0.15 . 1 . . . . 39 ILE CA . 6984 1 426 . 1 1 39 39 ILE CB C 13 39.8 0.15 . 1 . . . . 39 ILE CB . 6984 1 427 . 1 1 39 39 ILE CG1 C 13 26.8 0.15 . 1 . . . . 39 ILE CG1 . 6984 1 428 . 1 1 39 39 ILE CG2 C 13 17.7 0.15 . 1 . . . . 39 ILE CG2 . 6984 1 429 . 1 1 39 39 ILE CD1 C 13 13.0 0.15 . 1 . . . . 39 ILE CD1 . 6984 1 430 . 1 1 39 39 ILE N N 15 121.4 0.15 . 1 . . . . 39 ILE N . 6984 1 431 . 1 1 40 40 ALA H H 1 7.93 0.02 . 1 . . . . 40 ALA H . 6984 1 432 . 1 1 40 40 ALA HA H 1 3.45 0.03 . 1 . . . . 40 ALA HA . 6984 1 433 . 1 1 40 40 ALA HB1 H 1 1.28 0.03 . 1 . . . . 40 ALA HB . 6984 1 434 . 1 1 40 40 ALA HB2 H 1 1.28 0.03 . 1 . . . . 40 ALA HB . 6984 1 435 . 1 1 40 40 ALA HB3 H 1 1.28 0.03 . 1 . . . . 40 ALA HB . 6984 1 436 . 1 1 40 40 ALA C C 13 178.1 0.15 . 1 . . . . 40 ALA C . 6984 1 437 . 1 1 40 40 ALA CA C 13 54.0 0.15 . 1 . . . . 40 ALA CA . 6984 1 438 . 1 1 40 40 ALA CB C 13 18.7 0.15 . 1 . . . . 40 ALA CB . 6984 1 439 . 1 1 40 40 ALA N N 15 123.1 0.15 . 1 . . . . 40 ALA N . 6984 1 440 . 1 1 41 41 GLY H H 1 8.82 0.02 . 1 . . . . 41 GLY H . 6984 1 441 . 1 1 41 41 GLY HA2 H 1 4.47 0.05 . 2 . . . . 41 GLY HA2 . 6984 1 442 . 1 1 41 41 GLY HA3 H 1 3.69 0.06 . 2 . . . . 41 GLY HA3 . 6984 1 443 . 1 1 41 41 GLY C C 13 175.1 0.15 . 1 . . . . 41 GLY C . 6984 1 444 . 1 1 41 41 GLY CA C 13 44.9 0.23 . 1 . . . . 41 GLY CA . 6984 1 445 . 1 1 41 41 GLY N N 15 111.3 0.15 . 1 . . . . 41 GLY N . 6984 1 446 . 1 1 42 42 GLU H H 1 8.27 0.02 . 1 . . . . 42 GLU H . 6984 1 447 . 1 1 42 42 GLU HA H 1 4.33 0.02 . 1 . . . . 42 GLU HA . 6984 1 448 . 1 1 42 42 GLU HB2 H 1 2.35 0.02 . 2 . . . . 42 GLU HB2 . 6984 1 449 . 1 1 42 42 GLU HB3 H 1 2.12 0.02 . 2 . . . . 42 GLU HB3 . 6984 1 450 . 1 1 42 42 GLU C C 13 176.4 0.15 . 1 . . . . 42 GLU C . 6984 1 451 . 1 1 42 42 GLU CA C 13 58.0 0.15 . 1 . . . . 42 GLU CA . 6984 1 452 . 1 1 42 42 GLU CB C 13 31.2 0.15 . 1 . . . . 42 GLU CB . 6984 1 453 . 1 1 42 42 GLU N N 15 119.9 0.15 . 1 . . . . 42 GLU N . 6984 1 454 . 1 1 43 43 THR H H 1 8.91 0.02 . 1 . . . . 43 THR H . 6984 1 455 . 1 1 43 43 THR HA H 1 4.02 0.02 . 1 . . . . 43 THR HA . 6984 1 456 . 1 1 43 43 THR HB H 1 4.05 0.02 . 1 . . . . 43 THR HB . 6984 1 457 . 1 1 43 43 THR HG21 H 1 1.02 0.02 . 1 . . . . 43 THR HG2 . 6984 1 458 . 1 1 43 43 THR HG22 H 1 1.02 0.02 . 1 . . . . 43 THR HG2 . 6984 1 459 . 1 1 43 43 THR HG23 H 1 1.02 0.02 . 1 . . . . 43 THR HG2 . 6984 1 460 . 1 1 43 43 THR C C 13 173.2 0.15 . 1 . . . . 43 THR C . 6984 1 461 . 1 1 43 43 THR CA C 13 64.2 0.15 . 1 . . . . 43 THR CA . 6984 1 462 . 1 1 43 43 THR CB C 13 68.9 0.15 . 1 . . . . 43 THR CB . 6984 1 463 . 1 1 43 43 THR CG2 C 13 22.6 0.15 . 1 . . . . 43 THR CG2 . 6984 1 464 . 1 1 43 43 THR N N 15 119.5 0.15 . 1 . . . . 43 THR N . 6984 1 465 . 1 1 44 44 VAL H H 1 8.31 0.02 . 1 . . . . 44 VAL H . 6984 1 466 . 1 1 44 44 VAL HA H 1 3.43 0.02 . 1 . . . . 44 VAL HA . 6984 1 467 . 1 1 44 44 VAL HB H 1 1.23 0.04 . 1 . . . . 44 VAL HB . 6984 1 468 . 1 1 44 44 VAL HG11 H 1 0.34 0.04 . 2 . . . . 44 VAL HG1 . 6984 1 469 . 1 1 44 44 VAL HG12 H 1 0.34 0.04 . 2 . . . . 44 VAL HG1 . 6984 1 470 . 1 1 44 44 VAL HG13 H 1 0.34 0.04 . 2 . . . . 44 VAL HG1 . 6984 1 471 . 1 1 44 44 VAL HG21 H 1 -0.26 0.03 . 2 . . . . 44 VAL HG2 . 6984 1 472 . 1 1 44 44 VAL HG22 H 1 -0.26 0.03 . 2 . . . . 44 VAL HG2 . 6984 1 473 . 1 1 44 44 VAL HG23 H 1 -0.26 0.03 . 2 . . . . 44 VAL HG2 . 6984 1 474 . 1 1 44 44 VAL C C 13 175.3 0.15 . 1 . . . . 44 VAL C . 6984 1 475 . 1 1 44 44 VAL CA C 13 63.9 0.15 . 1 . . . . 44 VAL CA . 6984 1 476 . 1 1 44 44 VAL CB C 13 32.6 0.15 . 1 . . . . 44 VAL CB . 6984 1 477 . 1 1 44 44 VAL CG1 C 13 20.5 0.15 . 1 . . . . 44 VAL CG1 . 6984 1 478 . 1 1 44 44 VAL CG2 C 13 20.5 0.15 . 1 . . . . 44 VAL CG2 . 6984 1 479 . 1 1 44 44 VAL N N 15 128.0 0.15 . 1 . . . . 44 VAL N . 6984 1 480 . 1 1 45 45 ILE H H 1 7.53 0.02 . 1 . . . . 45 ILE H . 6984 1 481 . 1 1 45 45 ILE HA H 1 4.45 0.02 . 1 . . . . 45 ILE HA . 6984 1 482 . 1 1 45 45 ILE HB H 1 1.55 0.02 . 1 . . . . 45 ILE HB . 6984 1 483 . 1 1 45 45 ILE HG12 H 1 1.50 0.02 . 2 . . . . 45 ILE HG12 . 6984 1 484 . 1 1 45 45 ILE HG21 H 1 1.27 0.02 . 1 . . . . 45 ILE HG2 . 6984 1 485 . 1 1 45 45 ILE HG22 H 1 1.27 0.02 . 1 . . . . 45 ILE HG2 . 6984 1 486 . 1 1 45 45 ILE HG23 H 1 1.27 0.02 . 1 . . . . 45 ILE HG2 . 6984 1 487 . 1 1 45 45 ILE HD11 H 1 1.35 0.02 . 1 . . . . 45 ILE HD1 . 6984 1 488 . 1 1 45 45 ILE HD12 H 1 1.35 0.02 . 1 . . . . 45 ILE HD1 . 6984 1 489 . 1 1 45 45 ILE HD13 H 1 1.35 0.02 . 1 . . . . 45 ILE HD1 . 6984 1 490 . 1 1 45 45 ILE C C 13 173.2 0.15 . 1 . . . . 45 ILE C . 6984 1 491 . 1 1 45 45 ILE CA C 13 59.9 0.15 . 1 . . . . 45 ILE CA . 6984 1 492 . 1 1 45 45 ILE CB C 13 43.8 0.15 . 1 . . . . 45 ILE CB . 6984 1 493 . 1 1 45 45 ILE CG1 C 13 28.9 0.15 . 1 . . . . 45 ILE CG1 . 6984 1 494 . 1 1 45 45 ILE CG2 C 13 17.5 0.15 . 1 . . . . 45 ILE CG2 . 6984 1 495 . 1 1 45 45 ILE CD1 C 13 14.8 0.15 . 1 . . . . 45 ILE CD1 . 6984 1 496 . 1 1 45 45 ILE N N 15 116.9 0.15 . 1 . . . . 45 ILE N . 6984 1 497 . 1 1 46 46 GLN H H 1 9.05 0.02 . 1 . . . . 46 GLN H . 6984 1 498 . 1 1 46 46 GLN HA H 1 4.68 0.02 . 1 . . . . 46 GLN HA . 6984 1 499 . 1 1 46 46 GLN HB2 H 1 2.16 0.02 . 2 . . . . 46 GLN HB2 . 6984 1 500 . 1 1 46 46 GLN HB3 H 1 1.89 0.03 . 2 . . . . 46 GLN HB3 . 6984 1 501 . 1 1 46 46 GLN HG2 H 1 2.40 0.02 . 2 . . . . 46 GLN HG2 . 6984 1 502 . 1 1 46 46 GLN HG3 H 1 2.27 0.02 . 2 . . . . 46 GLN HG3 . 6984 1 503 . 1 1 46 46 GLN HE21 H 1 7.66 0.03 . 2 . . . . 46 GLN HE21 . 6984 1 504 . 1 1 46 46 GLN HE22 H 1 6.74 0.02 . 2 . . . . 46 GLN HE22 . 6984 1 505 . 1 1 46 46 GLN C C 13 174.3 0.15 . 1 . . . . 46 GLN C . 6984 1 506 . 1 1 46 46 GLN CA C 13 53.5 0.15 . 1 . . . . 46 GLN CA . 6984 1 507 . 1 1 46 46 GLN CB C 13 30.6 0.15 . 1 . . . . 46 GLN CB . 6984 1 508 . 1 1 46 46 GLN CG C 13 33.7 0.15 . 1 . . . . 46 GLN CG . 6984 1 509 . 1 1 46 46 GLN CD C 13 179.7 0.15 . 1 . . . . 46 GLN CD . 6984 1 510 . 1 1 46 46 GLN N N 15 128.5 0.15 . 1 . . . . 46 GLN N . 6984 1 511 . 1 1 46 46 GLN NE2 N 15 112.3 0.25 . 1 . . . . 46 GLN NE2 . 6984 1 512 . 1 1 47 47 GLN H H 1 8.65 0.02 . 1 . . . . 47 GLN H . 6984 1 513 . 1 1 47 47 GLN HA H 1 3.33 0.02 . 1 . . . . 47 GLN HA . 6984 1 514 . 1 1 47 47 GLN HB2 H 1 1.59 0.02 . 2 . . . . 47 GLN HB2 . 6984 1 515 . 1 1 47 47 GLN HG2 H 1 2.31 0.02 . 2 . . . . 47 GLN HG2 . 6984 1 516 . 1 1 47 47 GLN HG3 H 1 2.09 0.02 . 2 . . . . 47 GLN HG3 . 6984 1 517 . 1 1 47 47 GLN C C 13 176.9 0.15 . 1 . . . . 47 GLN C . 6984 1 518 . 1 1 47 47 GLN CA C 13 58.7 0.15 . 1 . . . . 47 GLN CA . 6984 1 519 . 1 1 47 47 GLN CB C 13 27.3 0.18 . 1 . . . . 47 GLN CB . 6984 1 520 . 1 1 47 47 GLN CG C 13 32.2 0.15 . 1 . . . . 47 GLN CG . 6984 1 521 . 1 1 47 47 GLN N N 15 128.5 0.15 . 1 . . . . 47 GLN N . 6984 1 522 . 1 1 48 48 GLY H H 1 9.18 0.02 . 1 . . . . 48 GLY H . 6984 1 523 . 1 1 48 48 GLY HA2 H 1 4.57 0.02 . 2 . . . . 48 GLY HA2 . 6984 1 524 . 1 1 48 48 GLY HA3 H 1 3.65 0.02 . 2 . . . . 48 GLY HA3 . 6984 1 525 . 1 1 48 48 GLY C C 13 174.2 0.15 . 1 . . . . 48 GLY C . 6984 1 526 . 1 1 48 48 GLY CA C 13 45.0 0.15 . 1 . . . . 48 GLY CA . 6984 1 527 . 1 1 48 48 GLY N N 15 114.5 0.15 . 1 . . . . 48 GLY N . 6984 1 528 . 1 1 49 49 ASP H H 1 7.69 0.02 . 1 . . . . 49 ASP H . 6984 1 529 . 1 1 49 49 ASP HA H 1 4.82 0.02 . 1 . . . . 49 ASP HA . 6984 1 530 . 1 1 49 49 ASP HB2 H 1 3.07 0.02 . 2 . . . . 49 ASP HB2 . 6984 1 531 . 1 1 49 49 ASP HB3 H 1 2.98 0.02 . 2 . . . . 49 ASP HB3 . 6984 1 532 . 1 1 49 49 ASP C C 13 176.3 0.15 . 1 . . . . 49 ASP C . 6984 1 533 . 1 1 49 49 ASP CA C 13 54.1 0.15 . 1 . . . . 49 ASP CA . 6984 1 534 . 1 1 49 49 ASP CB C 13 41.4 0.15 . 1 . . . . 49 ASP CB . 6984 1 535 . 1 1 49 49 ASP N N 15 121.2 0.15 . 1 . . . . 49 ASP N . 6984 1 536 . 1 1 50 50 GLU H H 1 8.66 0.02 . 1 . . . . 50 GLU H . 6984 1 537 . 1 1 50 50 GLU HA H 1 4.43 0.02 . 1 . . . . 50 GLU HA . 6984 1 538 . 1 1 50 50 GLU HB2 H 1 2.36 0.02 . 2 . . . . 50 GLU HB2 . 6984 1 539 . 1 1 50 50 GLU HB3 H 1 2.01 0.02 . 2 . . . . 50 GLU HB3 . 6984 1 540 . 1 1 50 50 GLU HG2 H 1 2.39 0.02 . 1 . . . . 50 GLU HG2 . 6984 1 541 . 1 1 50 50 GLU HG3 H 1 2.39 0.02 . 1 . . . . 50 GLU HG3 . 6984 1 542 . 1 1 50 50 GLU C C 13 178.3 0.15 . 1 . . . . 50 GLU C . 6984 1 543 . 1 1 50 50 GLU CA C 13 56.2 0.15 . 1 . . . . 50 GLU CA . 6984 1 544 . 1 1 50 50 GLU CB C 13 30.3 0.20 . 1 . . . . 50 GLU CB . 6984 1 545 . 1 1 50 50 GLU CG C 13 36.3 0.15 . 1 . . . . 50 GLU CG . 6984 1 546 . 1 1 50 50 GLU N N 15 119.1 0.15 . 1 . . . . 50 GLU N . 6984 1 547 . 1 1 51 51 GLY H H 1 9.27 0.02 . 1 . . . . 51 GLY H . 6984 1 548 . 1 1 51 51 GLY HA2 H 1 3.83 0.02 . 2 . . . . 51 GLY HA2 . 6984 1 549 . 1 1 51 51 GLY HA3 H 1 3.38 0.02 . 2 . . . . 51 GLY HA3 . 6984 1 550 . 1 1 51 51 GLY C C 13 171.6 0.15 . 1 . . . . 51 GLY C . 6984 1 551 . 1 1 51 51 GLY CA C 13 45.9 0.15 . 1 . . . . 51 GLY CA . 6984 1 552 . 1 1 51 51 GLY N N 15 110.4 0.15 . 1 . . . . 51 GLY N . 6984 1 553 . 1 1 52 52 ASP H H 1 7.90 0.02 . 1 . . . . 52 ASP H . 6984 1 554 . 1 1 52 52 ASP HA H 1 4.69 0.02 . 1 . . . . 52 ASP HA . 6984 1 555 . 1 1 52 52 ASP HB2 H 1 2.87 0.02 . 2 . . . . 52 ASP HB2 . 6984 1 556 . 1 1 52 52 ASP HB3 H 1 2.84 0.02 . 2 . . . . 52 ASP HB3 . 6984 1 557 . 1 1 52 52 ASP C C 13 173.7 0.15 . 1 . . . . 52 ASP C . 6984 1 558 . 1 1 52 52 ASP CA C 13 55.6 0.15 . 1 . . . . 52 ASP CA . 6984 1 559 . 1 1 52 52 ASP CB C 13 41.1 0.15 . 1 . . . . 52 ASP CB . 6984 1 560 . 1 1 52 52 ASP N N 15 120.2 0.15 . 1 . . . . 52 ASP N . 6984 1 561 . 1 1 53 53 ASN H H 1 9.37 0.02 . 1 . . . . 53 ASN H . 6984 1 562 . 1 1 53 53 ASN HA H 1 5.56 0.02 . 1 . . . . 53 ASN HA . 6984 1 563 . 1 1 53 53 ASN HB2 H 1 2.12 0.02 . 2 . . . . 53 ASN HB2 . 6984 1 564 . 1 1 53 53 ASN HB3 H 1 1.88 0.02 . 2 . . . . 53 ASN HB3 . 6984 1 565 . 1 1 53 53 ASN HD21 H 1 7.66 0.02 . 2 . . . . 53 ASN HD21 . 6984 1 566 . 1 1 53 53 ASN HD22 H 1 6.73 0.02 . 2 . . . . 53 ASN HD22 . 6984 1 567 . 1 1 53 53 ASN C C 13 174.2 0.15 . 1 . . . . 53 ASN C . 6984 1 568 . 1 1 53 53 ASN CA C 13 52.1 0.15 . 1 . . . . 53 ASN CA . 6984 1 569 . 1 1 53 53 ASN CB C 13 42.1 0.15 . 1 . . . . 53 ASN CB . 6984 1 570 . 1 1 53 53 ASN N N 15 117.7 0.15 . 1 . . . . 53 ASN N . 6984 1 571 . 1 1 53 53 ASN ND2 N 15 112.0 0.15 . 1 . . . . 53 ASN ND2 . 6984 1 572 . 1 1 54 54 PHE H H 1 8.55 0.02 . 1 . . . . 54 PHE H . 6984 1 573 . 1 1 54 54 PHE HA H 1 4.58 0.02 . 1 . . . . 54 PHE HA . 6984 1 574 . 1 1 54 54 PHE HB2 H 1 2.63 0.02 . 2 . . . . 54 PHE HB2 . 6984 1 575 . 1 1 54 54 PHE HB3 H 1 2.37 0.02 . 2 . . . . 54 PHE HB3 . 6984 1 576 . 1 1 54 54 PHE HD1 H 1 6.77 0.02 . 1 . . . . 54 PHE HD1 . 6984 1 577 . 1 1 54 54 PHE HD2 H 1 6.77 0.02 . 1 . . . . 54 PHE HD2 . 6984 1 578 . 1 1 54 54 PHE C C 13 172.4 0.15 . 1 . . . . 54 PHE C . 6984 1 579 . 1 1 54 54 PHE CA C 13 55.3 0.15 . 1 . . . . 54 PHE CA . 6984 1 580 . 1 1 54 54 PHE CB C 13 42.4 0.15 . 1 . . . . 54 PHE CB . 6984 1 581 . 1 1 54 54 PHE N N 15 121.8 0.15 . 1 . . . . 54 PHE N . 6984 1 582 . 1 1 55 55 TYR H H 1 7.38 0.02 . 1 . . . . 55 TYR H . 6984 1 583 . 1 1 55 55 TYR HA H 1 5.29 0.02 . 1 . . . . 55 TYR HA . 6984 1 584 . 1 1 55 55 TYR HB2 H 1 2.09 0.02 . 2 . . . . 55 TYR HB2 . 6984 1 585 . 1 1 55 55 TYR HB3 H 1 0.96 0.02 . 2 . . . . 55 TYR HB3 . 6984 1 586 . 1 1 55 55 TYR HD1 H 1 6.45 0.02 . 1 . . . . 55 TYR HD1 . 6984 1 587 . 1 1 55 55 TYR HD2 H 1 6.45 0.02 . 1 . . . . 55 TYR HD2 . 6984 1 588 . 1 1 55 55 TYR HE1 H 1 6.70 0.02 . 1 . . . . 55 TYR HE1 . 6984 1 589 . 1 1 55 55 TYR HE2 H 1 6.70 0.02 . 1 . . . . 55 TYR HE2 . 6984 1 590 . 1 1 55 55 TYR C C 13 173.6 0.15 . 1 . . . . 55 TYR C . 6984 1 591 . 1 1 55 55 TYR CA C 13 56.1 0.15 . 1 . . . . 55 TYR CA . 6984 1 592 . 1 1 55 55 TYR CB C 13 43.1 0.15 . 1 . . . . 55 TYR CB . 6984 1 593 . 1 1 55 55 TYR N N 15 120.1 0.15 . 1 . . . . 55 TYR N . 6984 1 594 . 1 1 56 56 VAL H H 1 8.88 0.02 . 1 . . . . 56 VAL H . 6984 1 595 . 1 1 56 56 VAL HA H 1 4.30 0.02 . 1 . . . . 56 VAL HA . 6984 1 596 . 1 1 56 56 VAL HB H 1 1.88 0.02 . 1 . . . . 56 VAL HB . 6984 1 597 . 1 1 56 56 VAL HG11 H 1 0.94 0.02 . 2 . . . . 56 VAL HG1 . 6984 1 598 . 1 1 56 56 VAL HG12 H 1 0.94 0.02 . 2 . . . . 56 VAL HG1 . 6984 1 599 . 1 1 56 56 VAL HG13 H 1 0.94 0.02 . 2 . . . . 56 VAL HG1 . 6984 1 600 . 1 1 56 56 VAL HG21 H 1 0.86 0.02 . 2 . . . . 56 VAL HG2 . 6984 1 601 . 1 1 56 56 VAL HG22 H 1 0.86 0.02 . 2 . . . . 56 VAL HG2 . 6984 1 602 . 1 1 56 56 VAL HG23 H 1 0.86 0.02 . 2 . . . . 56 VAL HG2 . 6984 1 603 . 1 1 56 56 VAL C C 13 175.7 0.15 . 1 . . . . 56 VAL C . 6984 1 604 . 1 1 56 56 VAL CA C 13 60.2 0.15 . 1 . . . . 56 VAL CA . 6984 1 605 . 1 1 56 56 VAL CB C 13 35.0 0.15 . 1 . . . . 56 VAL CB . 6984 1 606 . 1 1 56 56 VAL CG1 C 13 21.7 0.15 . 1 . . . . 56 VAL CG1 . 6984 1 607 . 1 1 56 56 VAL CG2 C 13 21.7 0.15 . 1 . . . . 56 VAL CG2 . 6984 1 608 . 1 1 56 56 VAL N N 15 117.1 0.15 . 1 . . . . 56 VAL N . 6984 1 609 . 1 1 57 57 ILE H H 1 8.58 0.02 . 1 . . . . 57 ILE H . 6984 1 610 . 1 1 57 57 ILE HA H 1 4.08 0.03 . 1 . . . . 57 ILE HA . 6984 1 611 . 1 1 57 57 ILE HB H 1 1.91 0.04 . 1 . . . . 57 ILE HB . 6984 1 612 . 1 1 57 57 ILE HG12 H 1 1.57 0.02 . 2 . . . . 57 ILE HG12 . 6984 1 613 . 1 1 57 57 ILE HG21 H 1 0.68 0.03 . 1 . . . . 57 ILE HG2 . 6984 1 614 . 1 1 57 57 ILE HG22 H 1 0.68 0.03 . 1 . . . . 57 ILE HG2 . 6984 1 615 . 1 1 57 57 ILE HG23 H 1 0.68 0.03 . 1 . . . . 57 ILE HG2 . 6984 1 616 . 1 1 57 57 ILE HD11 H 1 0.82 0.02 . 1 . . . . 57 ILE HD1 . 6984 1 617 . 1 1 57 57 ILE HD12 H 1 0.82 0.02 . 1 . . . . 57 ILE HD1 . 6984 1 618 . 1 1 57 57 ILE HD13 H 1 0.82 0.02 . 1 . . . . 57 ILE HD1 . 6984 1 619 . 1 1 57 57 ILE C C 13 175.6 0.15 . 1 . . . . 57 ILE C . 6984 1 620 . 1 1 57 57 ILE CA C 13 62.8 0.15 . 1 . . . . 57 ILE CA . 6984 1 621 . 1 1 57 57 ILE CB C 13 38.2 0.15 . 1 . . . . 57 ILE CB . 6984 1 622 . 1 1 57 57 ILE CG1 C 13 28.7 0.15 . 1 . . . . 57 ILE CG1 . 6984 1 623 . 1 1 57 57 ILE CG2 C 13 17.8 0.15 . 1 . . . . 57 ILE CG2 . 6984 1 624 . 1 1 57 57 ILE CD1 C 13 15.6 0.17 . 1 . . . . 57 ILE CD1 . 6984 1 625 . 1 1 57 57 ILE N N 15 125.0 0.15 . 1 . . . . 57 ILE N . 6984 1 626 . 1 1 58 58 ASP H H 1 8.74 0.02 . 1 . . . . 58 ASP H . 6984 1 627 . 1 1 58 58 ASP HA H 1 4.85 0.02 . 1 . . . . 58 ASP HA . 6984 1 628 . 1 1 58 58 ASP HB2 H 1 2.63 0.02 . 2 . . . . 58 ASP HB2 . 6984 1 629 . 1 1 58 58 ASP HB3 H 1 2.38 0.02 . 2 . . . . 58 ASP HB3 . 6984 1 630 . 1 1 58 58 ASP C C 13 175.1 0.15 . 1 . . . . 58 ASP C . 6984 1 631 . 1 1 58 58 ASP CA C 13 55.8 0.15 . 1 . . . . 58 ASP CA . 6984 1 632 . 1 1 58 58 ASP CB C 13 43.8 0.15 . 1 . . . . 58 ASP CB . 6984 1 633 . 1 1 58 58 ASP N N 15 131.0 0.15 . 1 . . . . 58 ASP N . 6984 1 634 . 1 1 59 59 GLN H H 1 7.96 0.02 . 1 . . . . 59 GLN H . 6984 1 635 . 1 1 59 59 GLN HA H 1 4.77 0.02 . 1 . . . . 59 GLN HA . 6984 1 636 . 1 1 59 59 GLN HB2 H 1 2.44 0.04 . 2 . . . . 59 GLN HB2 . 6984 1 637 . 1 1 59 59 GLN HB3 H 1 2.10 0.04 . 2 . . . . 59 GLN HB3 . 6984 1 638 . 1 1 59 59 GLN HE21 H 1 7.58 0.02 . 2 . . . . 59 GLN HE21 . 6984 1 639 . 1 1 59 59 GLN HE22 H 1 6.78 0.02 . 2 . . . . 59 GLN HE22 . 6984 1 640 . 1 1 59 59 GLN C C 13 174.6 0.15 . 1 . . . . 59 GLN C . 6984 1 641 . 1 1 59 59 GLN CA C 13 54.8 0.15 . 1 . . . . 59 GLN CA . 6984 1 642 . 1 1 59 59 GLN CB C 13 33.9 0.15 . 1 . . . . 59 GLN CB . 6984 1 643 . 1 1 59 59 GLN CG C 13 33.8 0.15 . 1 . . . . 59 GLN CG . 6984 1 644 . 1 1 59 59 GLN CD C 13 180.1 0.15 . 1 . . . . 59 GLN CD . 6984 1 645 . 1 1 59 59 GLN N N 15 113.8 0.15 . 1 . . . . 59 GLN N . 6984 1 646 . 1 1 59 59 GLN NE2 N 15 112.0 0.27 . 1 . . . . 59 GLN NE2 . 6984 1 647 . 1 1 60 60 GLY H H 1 8.91 0.02 . 1 . . . . 60 GLY H . 6984 1 648 . 1 1 60 60 GLY HA2 H 1 4.69 0.02 . 2 . . . . 60 GLY HA2 . 6984 1 649 . 1 1 60 60 GLY HA3 H 1 3.79 0.02 . 2 . . . . 60 GLY HA3 . 6984 1 650 . 1 1 60 60 GLY C C 13 171.0 0.15 . 1 . . . . 60 GLY C . 6984 1 651 . 1 1 60 60 GLY CA C 13 44.2 0.15 . 1 . . . . 60 GLY CA . 6984 1 652 . 1 1 60 60 GLY N N 15 111.4 0.15 . 1 . . . . 60 GLY N . 6984 1 653 . 1 1 61 61 GLU H H 1 7.36 0.02 . 1 . . . . 61 GLU H . 6984 1 654 . 1 1 61 61 GLU HA H 1 5.16 0.02 . 1 . . . . 61 GLU HA . 6984 1 655 . 1 1 61 61 GLU HB2 H 1 2.19 0.02 . 2 . . . . 61 GLU HB2 . 6984 1 656 . 1 1 61 61 GLU HB3 H 1 1.89 0.02 . 2 . . . . 61 GLU HB3 . 6984 1 657 . 1 1 61 61 GLU HG2 H 1 2.25 0.02 . 1 . . . . 61 GLU HG2 . 6984 1 658 . 1 1 61 61 GLU HG3 H 1 2.25 0.02 . 1 . . . . 61 GLU HG3 . 6984 1 659 . 1 1 61 61 GLU C C 13 175.1 0.15 . 1 . . . . 61 GLU C . 6984 1 660 . 1 1 61 61 GLU CA C 13 54.6 0.15 . 1 . . . . 61 GLU CA . 6984 1 661 . 1 1 61 61 GLU CB C 13 35.2 0.15 . 1 . . . . 61 GLU CB . 6984 1 662 . 1 1 61 61 GLU CG C 13 36.9 0.15 . 1 . . . . 61 GLU CG . 6984 1 663 . 1 1 61 61 GLU N N 15 113.3 0.15 . 1 . . . . 61 GLU N . 6984 1 664 . 1 1 62 62 MET H H 1 9.06 0.02 . 1 . . . . 62 MET H . 6984 1 665 . 1 1 62 62 MET HA H 1 5.18 0.02 . 1 . . . . 62 MET HA . 6984 1 666 . 1 1 62 62 MET HB2 H 1 1.71 0.02 . 2 . . . . 62 MET HB2 . 6984 1 667 . 1 1 62 62 MET HB3 H 1 1.40 0.03 . 2 . . . . 62 MET HB3 . 6984 1 668 . 1 1 62 62 MET C C 13 175.4 0.15 . 1 . . . . 62 MET C . 6984 1 669 . 1 1 62 62 MET CA C 13 52.6 0.15 . 1 . . . . 62 MET CA . 6984 1 670 . 1 1 62 62 MET CB C 13 33.8 0.15 . 1 . . . . 62 MET CB . 6984 1 671 . 1 1 62 62 MET N N 15 117.7 0.15 . 1 . . . . 62 MET N . 6984 1 672 . 1 1 63 63 ASP H H 1 9.11 0.02 . 1 . . . . 63 ASP H . 6984 1 673 . 1 1 63 63 ASP HA H 1 5.43 0.02 . 1 . . . . 63 ASP HA . 6984 1 674 . 1 1 63 63 ASP HB2 H 1 2.65 0.02 . 2 . . . . 63 ASP HB2 . 6984 1 675 . 1 1 63 63 ASP HB3 H 1 2.40 0.02 . 2 . . . . 63 ASP HB3 . 6984 1 676 . 1 1 63 63 ASP C C 13 174.0 0.15 . 1 . . . . 63 ASP C . 6984 1 677 . 1 1 63 63 ASP CA C 13 54.3 0.15 . 1 . . . . 63 ASP CA . 6984 1 678 . 1 1 63 63 ASP CB C 13 46.4 0.15 . 1 . . . . 63 ASP CB . 6984 1 679 . 1 1 63 63 ASP N N 15 120.4 0.15 . 1 . . . . 63 ASP N . 6984 1 680 . 1 1 64 64 VAL H H 1 8.28 0.02 . 1 . . . . 64 VAL H . 6984 1 681 . 1 1 64 64 VAL HA H 1 4.46 0.02 . 1 . . . . 64 VAL HA . 6984 1 682 . 1 1 64 64 VAL HB H 1 1.34 0.02 . 1 . . . . 64 VAL HB . 6984 1 683 . 1 1 64 64 VAL HG11 H 1 0.43 0.02 . 2 . . . . 64 VAL HG1 . 6984 1 684 . 1 1 64 64 VAL HG12 H 1 0.43 0.02 . 2 . . . . 64 VAL HG1 . 6984 1 685 . 1 1 64 64 VAL HG13 H 1 0.43 0.02 . 2 . . . . 64 VAL HG1 . 6984 1 686 . 1 1 64 64 VAL HG21 H 1 -0.31 0.02 . 2 . . . . 64 VAL HG2 . 6984 1 687 . 1 1 64 64 VAL HG22 H 1 -0.31 0.02 . 2 . . . . 64 VAL HG2 . 6984 1 688 . 1 1 64 64 VAL HG23 H 1 -0.31 0.02 . 2 . . . . 64 VAL HG2 . 6984 1 689 . 1 1 64 64 VAL C C 13 173.9 0.15 . 1 . . . . 64 VAL C . 6984 1 690 . 1 1 64 64 VAL CA C 13 60.8 0.15 . 1 . . . . 64 VAL CA . 6984 1 691 . 1 1 64 64 VAL CB C 13 32.4 0.15 . 1 . . . . 64 VAL CB . 6984 1 692 . 1 1 64 64 VAL CG1 C 13 20.7 0.15 . 1 . . . . 64 VAL CG1 . 6984 1 693 . 1 1 64 64 VAL CG2 C 13 20.2 0.15 . 1 . . . . 64 VAL CG2 . 6984 1 694 . 1 1 64 64 VAL N N 15 120.4 0.15 . 1 . . . . 64 VAL N . 6984 1 695 . 1 1 65 65 TYR H H 1 9.52 0.02 . 1 . . . . 65 TYR H . 6984 1 696 . 1 1 65 65 TYR HA H 1 4.78 0.02 . 1 . . . . 65 TYR HA . 6984 1 697 . 1 1 65 65 TYR HB2 H 1 2.71 0.02 . 2 . . . . 65 TYR HB2 . 6984 1 698 . 1 1 65 65 TYR HB3 H 1 2.35 0.02 . 2 . . . . 65 TYR HB3 . 6984 1 699 . 1 1 65 65 TYR HD1 H 1 6.75 0.02 . 1 . . . . 65 TYR HD1 . 6984 1 700 . 1 1 65 65 TYR HD2 H 1 6.75 0.02 . 1 . . . . 65 TYR HD2 . 6984 1 701 . 1 1 65 65 TYR HE1 H 1 6.82 0.02 . 1 . . . . 65 TYR HE1 . 6984 1 702 . 1 1 65 65 TYR HE2 H 1 6.82 0.02 . 1 . . . . 65 TYR HE2 . 6984 1 703 . 1 1 65 65 TYR C C 13 174.5 0.15 . 1 . . . . 65 TYR C . 6984 1 704 . 1 1 65 65 TYR CA C 13 56.2 0.15 . 1 . . . . 65 TYR CA . 6984 1 705 . 1 1 65 65 TYR CB C 13 41.6 0.15 . 1 . . . . 65 TYR CB . 6984 1 706 . 1 1 65 65 TYR N N 15 125.5 0.15 . 1 . . . . 65 TYR N . 6984 1 707 . 1 1 66 66 VAL H H 1 8.68 0.02 . 1 . . . . 66 VAL H . 6984 1 708 . 1 1 66 66 VAL HA H 1 4.27 0.03 . 1 . . . . 66 VAL HA . 6984 1 709 . 1 1 66 66 VAL HB H 1 1.84 0.02 . 1 . . . . 66 VAL HB . 6984 1 710 . 1 1 66 66 VAL HG11 H 1 0.95 0.02 . 2 . . . . 66 VAL HG1 . 6984 1 711 . 1 1 66 66 VAL HG12 H 1 0.95 0.02 . 2 . . . . 66 VAL HG1 . 6984 1 712 . 1 1 66 66 VAL HG13 H 1 0.95 0.02 . 2 . . . . 66 VAL HG1 . 6984 1 713 . 1 1 66 66 VAL HG21 H 1 1.03 0.02 . 2 . . . . 66 VAL HG2 . 6984 1 714 . 1 1 66 66 VAL HG22 H 1 1.03 0.02 . 2 . . . . 66 VAL HG2 . 6984 1 715 . 1 1 66 66 VAL HG23 H 1 1.03 0.02 . 2 . . . . 66 VAL HG2 . 6984 1 716 . 1 1 66 66 VAL C C 13 177.1 0.15 . 1 . . . . 66 VAL C . 6984 1 717 . 1 1 66 66 VAL CA C 13 61.6 0.15 . 1 . . . . 66 VAL CA . 6984 1 718 . 1 1 66 66 VAL CB C 13 33.5 0.15 . 1 . . . . 66 VAL CB . 6984 1 719 . 1 1 66 66 VAL CG1 C 13 20.5 0.15 . 1 . . . . 66 VAL CG1 . 6984 1 720 . 1 1 66 66 VAL CG2 C 13 20.9 0.18 . 1 . . . . 66 VAL CG2 . 6984 1 721 . 1 1 66 66 VAL N N 15 121.8 0.15 . 1 . . . . 66 VAL N . 6984 1 722 . 1 1 67 67 ASN H H 1 10.29 0.02 . 1 . . . . 67 ASN H . 6984 1 723 . 1 1 67 67 ASN HA H 1 4.33 0.02 . 1 . . . . 67 ASN HA . 6984 1 724 . 1 1 67 67 ASN HB2 H 1 3.17 0.02 . 2 . . . . 67 ASN HB2 . 6984 1 725 . 1 1 67 67 ASN HB3 H 1 3.08 0.02 . 2 . . . . 67 ASN HB3 . 6984 1 726 . 1 1 67 67 ASN C C 13 175.2 0.15 . 1 . . . . 67 ASN C . 6984 1 727 . 1 1 67 67 ASN CA C 13 54.4 0.15 . 1 . . . . 67 ASN CA . 6984 1 728 . 1 1 67 67 ASN CB C 13 36.5 0.15 . 1 . . . . 67 ASN CB . 6984 1 729 . 1 1 67 67 ASN N N 15 129.5 0.15 . 1 . . . . 67 ASN N . 6984 1 730 . 1 1 68 68 ASN H H 1 9.03 0.02 . 1 . . . . 68 ASN H . 6984 1 731 . 1 1 68 68 ASN HA H 1 4.15 0.02 . 1 . . . . 68 ASN HA . 6984 1 732 . 1 1 68 68 ASN HB2 H 1 3.13 0.02 . 2 . . . . 68 ASN HB2 . 6984 1 733 . 1 1 68 68 ASN HB3 H 1 3.07 0.03 . 2 . . . . 68 ASN HB3 . 6984 1 734 . 1 1 68 68 ASN HD21 H 1 7.50 0.02 . 2 . . . . 68 ASN HD21 . 6984 1 735 . 1 1 68 68 ASN HD22 H 1 6.82 0.02 . 2 . . . . 68 ASN HD22 . 6984 1 736 . 1 1 68 68 ASN C C 13 173.8 0.15 . 1 . . . . 68 ASN C . 6984 1 737 . 1 1 68 68 ASN CA C 13 55.1 0.15 . 1 . . . . 68 ASN CA . 6984 1 738 . 1 1 68 68 ASN CB C 13 38.0 0.15 . 1 . . . . 68 ASN CB . 6984 1 739 . 1 1 68 68 ASN CG C 13 177.7 0.15 . 1 . . . . 68 ASN CG . 6984 1 740 . 1 1 68 68 ASN N N 15 108.0 0.15 . 1 . . . . 68 ASN N . 6984 1 741 . 1 1 68 68 ASN ND2 N 15 113.0 0.28 . 1 . . . . 68 ASN ND2 . 6984 1 742 . 1 1 69 69 GLU H H 1 7.85 0.02 . 1 . . . . 69 GLU H . 6984 1 743 . 1 1 69 69 GLU HA H 1 4.90 0.02 . 1 . . . . 69 GLU HA . 6984 1 744 . 1 1 69 69 GLU HB2 H 1 2.15 0.02 . 2 . . . . 69 GLU HB2 . 6984 1 745 . 1 1 69 69 GLU HB3 H 1 2.07 0.02 . 2 . . . . 69 GLU HB3 . 6984 1 746 . 1 1 69 69 GLU HG2 H 1 2.43 0.02 . 2 . . . . 69 GLU HG2 . 6984 1 747 . 1 1 69 69 GLU HG3 H 1 2.34 0.02 . 2 . . . . 69 GLU HG3 . 6984 1 748 . 1 1 69 69 GLU C C 13 175.8 0.15 . 1 . . . . 69 GLU C . 6984 1 749 . 1 1 69 69 GLU CA C 13 54.9 0.15 . 1 . . . . 69 GLU CA . 6984 1 750 . 1 1 69 69 GLU CB C 13 31.9 0.15 . 1 . . . . 69 GLU CB . 6984 1 751 . 1 1 69 69 GLU CG C 13 35.9 0.15 . 1 . . . . 69 GLU CG . 6984 1 752 . 1 1 69 69 GLU N N 15 119.6 0.15 . 1 . . . . 69 GLU N . 6984 1 753 . 1 1 70 70 TRP H H 1 9.27 0.02 . 1 . . . . 70 TRP H . 6984 1 754 . 1 1 70 70 TRP HA H 1 3.40 0.02 . 1 . . . . 70 TRP HA . 6984 1 755 . 1 1 70 70 TRP HB2 H 1 3.18 0.02 . 2 . . . . 70 TRP HB2 . 6984 1 756 . 1 1 70 70 TRP HB3 H 1 2.92 0.02 . 2 . . . . 70 TRP HB3 . 6984 1 757 . 1 1 70 70 TRP HD1 H 1 6.24 0.02 . 1 . . . . 70 TRP HD1 . 6984 1 758 . 1 1 70 70 TRP HE1 H 1 9.95 0.02 . 1 . . . . 70 TRP HE1 . 6984 1 759 . 1 1 70 70 TRP HZ2 H 1 7.44 0.03 . 1 . . . . 70 TRP HZ2 . 6984 1 760 . 1 1 70 70 TRP C C 13 175.4 0.15 . 1 . . . . 70 TRP C . 6984 1 761 . 1 1 70 70 TRP CA C 13 61.5 0.15 . 1 . . . . 70 TRP CA . 6984 1 762 . 1 1 70 70 TRP CB C 13 28.2 0.15 . 1 . . . . 70 TRP CB . 6984 1 763 . 1 1 70 70 TRP N N 15 128.0 0.15 . 1 . . . . 70 TRP N . 6984 1 764 . 1 1 70 70 TRP NE1 N 15 130.9 0.15 . 1 . . . . 70 TRP NE1 . 6984 1 765 . 1 1 71 71 ALA H H 1 8.70 0.02 . 1 . . . . 71 ALA H . 6984 1 766 . 1 1 71 71 ALA HA H 1 4.35 0.03 . 1 . . . . 71 ALA HA . 6984 1 767 . 1 1 71 71 ALA HB1 H 1 0.97 0.04 . 1 . . . . 71 ALA HB . 6984 1 768 . 1 1 71 71 ALA HB2 H 1 0.97 0.04 . 1 . . . . 71 ALA HB . 6984 1 769 . 1 1 71 71 ALA HB3 H 1 0.97 0.04 . 1 . . . . 71 ALA HB . 6984 1 770 . 1 1 71 71 ALA C C 13 176.0 0.15 . 1 . . . . 71 ALA C . 6984 1 771 . 1 1 71 71 ALA CA C 13 52.6 0.15 . 1 . . . . 71 ALA CA . 6984 1 772 . 1 1 71 71 ALA CB C 13 21.2 0.15 . 1 . . . . 71 ALA CB . 6984 1 773 . 1 1 71 71 ALA N N 15 129.7 0.15 . 1 . . . . 71 ALA N . 6984 1 774 . 1 1 72 72 THR H H 1 6.17 0.02 . 1 . . . . 72 THR H . 6984 1 775 . 1 1 72 72 THR HA H 1 3.60 0.02 . 1 . . . . 72 THR HA . 6984 1 776 . 1 1 72 72 THR HB H 1 4.17 0.03 . 1 . . . . 72 THR HB . 6984 1 777 . 1 1 72 72 THR HG21 H 1 0.84 0.02 . 1 . . . . 72 THR HG2 . 6984 1 778 . 1 1 72 72 THR HG22 H 1 0.84 0.02 . 1 . . . . 72 THR HG2 . 6984 1 779 . 1 1 72 72 THR HG23 H 1 0.84 0.02 . 1 . . . . 72 THR HG2 . 6984 1 780 . 1 1 72 72 THR C C 13 170.7 0.15 . 1 . . . . 72 THR C . 6984 1 781 . 1 1 72 72 THR CA C 13 60.5 0.15 . 1 . . . . 72 THR CA . 6984 1 782 . 1 1 72 72 THR CB C 13 67.4 0.15 . 1 . . . . 72 THR CB . 6984 1 783 . 1 1 72 72 THR CG2 C 13 18.3 0.15 . 1 . . . . 72 THR CG2 . 6984 1 784 . 1 1 72 72 THR N N 15 107.7 0.15 . 1 . . . . 72 THR N . 6984 1 785 . 1 1 73 73 SER H H 1 8.25 0.02 . 1 . . . . 73 SER H . 6984 1 786 . 1 1 73 73 SER HA H 1 5.68 0.02 . 1 . . . . 73 SER HA . 6984 1 787 . 1 1 73 73 SER HB2 H 1 4.21 0.02 . 2 . . . . 73 SER HB2 . 6984 1 788 . 1 1 73 73 SER HB3 H 1 4.04 0.02 . 2 . . . . 73 SER HB3 . 6984 1 789 . 1 1 73 73 SER C C 13 173.5 0.15 . 1 . . . . 73 SER C . 6984 1 790 . 1 1 73 73 SER CA C 13 57.2 0.15 . 1 . . . . 73 SER CA . 6984 1 791 . 1 1 73 73 SER CB C 13 66.8 0.15 . 1 . . . . 73 SER CB . 6984 1 792 . 1 1 73 73 SER N N 15 116.1 0.15 . 1 . . . . 73 SER N . 6984 1 793 . 1 1 74 74 VAL H H 1 8.78 0.02 . 1 . . . . 74 VAL H . 6984 1 794 . 1 1 74 74 VAL HA H 1 4.42 0.02 . 1 . . . . 74 VAL HA . 6984 1 795 . 1 1 74 74 VAL HB H 1 1.76 0.02 . 1 . . . . 74 VAL HB . 6984 1 796 . 1 1 74 74 VAL HG11 H 1 1.15 0.02 . 2 . . . . 74 VAL HG1 . 6984 1 797 . 1 1 74 74 VAL HG12 H 1 1.15 0.02 . 2 . . . . 74 VAL HG1 . 6984 1 798 . 1 1 74 74 VAL HG13 H 1 1.15 0.02 . 2 . . . . 74 VAL HG1 . 6984 1 799 . 1 1 74 74 VAL HG21 H 1 1.06 0.02 . 2 . . . . 74 VAL HG2 . 6984 1 800 . 1 1 74 74 VAL HG22 H 1 1.06 0.02 . 2 . . . . 74 VAL HG2 . 6984 1 801 . 1 1 74 74 VAL HG23 H 1 1.06 0.02 . 2 . . . . 74 VAL HG2 . 6984 1 802 . 1 1 74 74 VAL C C 13 174.3 0.15 . 1 . . . . 74 VAL C . 6984 1 803 . 1 1 74 74 VAL CA C 13 61.4 0.15 . 1 . . . . 74 VAL CA . 6984 1 804 . 1 1 74 74 VAL CB C 13 34.9 0.15 . 1 . . . . 74 VAL CB . 6984 1 805 . 1 1 74 74 VAL CG1 C 13 21.7 0.15 . 1 . . . . 74 VAL CG1 . 6984 1 806 . 1 1 74 74 VAL CG2 C 13 21.7 0.15 . 1 . . . . 74 VAL CG2 . 6984 1 807 . 1 1 74 74 VAL N N 15 121.7 0.15 . 1 . . . . 74 VAL N . 6984 1 808 . 1 1 75 75 GLY H H 1 8.52 0.02 . 1 . . . . 75 GLY H . 6984 1 809 . 1 1 75 75 GLY HA2 H 1 5.09 0.04 . 2 . . . . 75 GLY HA2 . 6984 1 810 . 1 1 75 75 GLY HA3 H 1 3.89 0.04 . 2 . . . . 75 GLY HA3 . 6984 1 811 . 1 1 75 75 GLY C C 13 173.1 0.15 . 1 . . . . 75 GLY C . 6984 1 812 . 1 1 75 75 GLY CA C 13 43.9 0.15 . 1 . . . . 75 GLY CA . 6984 1 813 . 1 1 75 75 GLY N N 15 114.5 0.15 . 1 . . . . 75 GLY N . 6984 1 814 . 1 1 76 76 GLU HA H 1 3.73 0.03 . 1 . . . . 76 GLU HA . 6984 1 815 . 1 1 76 76 GLU HB2 H 1 2.14 0.02 . 2 . . . . 76 GLU HB2 . 6984 1 816 . 1 1 76 76 GLU HB3 H 1 2.09 0.02 . 2 . . . . 76 GLU HB3 . 6984 1 817 . 1 1 76 76 GLU HG2 H 1 2.48 0.02 . 2 . . . . 76 GLU HG2 . 6984 1 818 . 1 1 76 76 GLU HG3 H 1 2.03 0.02 . 2 . . . . 76 GLU HG3 . 6984 1 819 . 1 1 76 76 GLU C C 13 178.0 0.15 . 1 . . . . 76 GLU C . 6984 1 820 . 1 1 76 76 GLU CA C 13 59.0 0.15 . 1 . . . . 76 GLU CA . 6984 1 821 . 1 1 76 76 GLU CB C 13 29.5 0.15 . 1 . . . . 76 GLU CB . 6984 1 822 . 1 1 76 76 GLU CG C 13 36.3 0.15 . 1 . . . . 76 GLU CG . 6984 1 823 . 1 1 76 76 GLU H H 1 8.29 0.02 . 1 . . . . 76 GLU H . 6984 1 824 . 1 1 76 76 GLU N N 15 119.4 0.15 . 1 . . . . 76 GLU N . 6984 1 825 . 1 1 77 77 GLY H H 1 8.73 0.02 . 1 . . . . 77 GLY H . 6984 1 826 . 1 1 77 77 GLY HA2 H 1 4.48 0.02 . 2 . . . . 77 GLY HA2 . 6984 1 827 . 1 1 77 77 GLY HA3 H 1 3.78 0.02 . 2 . . . . 77 GLY HA3 . 6984 1 828 . 1 1 77 77 GLY C C 13 174.5 0.15 . 1 . . . . 77 GLY C . 6984 1 829 . 1 1 77 77 GLY CA C 13 45.4 0.15 . 1 . . . . 77 GLY CA . 6984 1 830 . 1 1 77 77 GLY N N 15 114.2 0.15 . 1 . . . . 77 GLY N . 6984 1 831 . 1 1 78 78 GLY H H 1 8.89 0.02 . 1 . . . . 78 GLY H . 6984 1 832 . 1 1 78 78 GLY HA2 H 1 4.61 0.05 . 2 . . . . 78 GLY HA2 . 6984 1 833 . 1 1 78 78 GLY HA3 H 1 3.91 0.04 . 2 . . . . 78 GLY HA3 . 6984 1 834 . 1 1 78 78 GLY C C 13 171.3 0.15 . 1 . . . . 78 GLY C . 6984 1 835 . 1 1 78 78 GLY CA C 13 44.0 0.15 . 1 . . . . 78 GLY CA . 6984 1 836 . 1 1 78 78 GLY N N 15 108.3 0.15 . 1 . . . . 78 GLY N . 6984 1 837 . 1 1 79 79 SER H H 1 8.40 0.02 . 1 . . . . 79 SER H . 6984 1 838 . 1 1 79 79 SER HA H 1 5.32 0.02 . 1 . . . . 79 SER HA . 6984 1 839 . 1 1 79 79 SER HB2 H 1 4.05 0.02 . 2 . . . . 79 SER HB2 . 6984 1 840 . 1 1 79 79 SER HB3 H 1 3.78 0.02 . 2 . . . . 79 SER HB3 . 6984 1 841 . 1 1 79 79 SER C C 13 173.2 0.15 . 1 . . . . 79 SER C . 6984 1 842 . 1 1 79 79 SER CA C 13 57.1 0.15 . 1 . . . . 79 SER CA . 6984 1 843 . 1 1 79 79 SER CB C 13 67.3 0.15 . 1 . . . . 79 SER CB . 6984 1 844 . 1 1 79 79 SER N N 15 110.2 0.15 . 1 . . . . 79 SER N . 6984 1 845 . 1 1 80 80 PHE H H 1 8.44 0.02 . 1 . . . . 80 PHE H . 6984 1 846 . 1 1 80 80 PHE HA H 1 5.35 0.02 . 1 . . . . 80 PHE HA . 6984 1 847 . 1 1 80 80 PHE HB2 H 1 3.70 0.02 . 2 . . . . 80 PHE HB2 . 6984 1 848 . 1 1 80 80 PHE HB3 H 1 2.94 0.02 . 2 . . . . 80 PHE HB3 . 6984 1 849 . 1 1 80 80 PHE HD1 H 1 6.85 0.02 . 1 . . . . 80 PHE HD1 . 6984 1 850 . 1 1 80 80 PHE HD2 H 1 6.85 0.02 . 1 . . . . 80 PHE HD2 . 6984 1 851 . 1 1 80 80 PHE C C 13 172.8 0.15 . 1 . . . . 80 PHE C . 6984 1 852 . 1 1 80 80 PHE CA C 13 57.1 0.15 . 1 . . . . 80 PHE CA . 6984 1 853 . 1 1 80 80 PHE CB C 13 40.4 0.15 . 1 . . . . 80 PHE CB . 6984 1 854 . 1 1 80 80 PHE N N 15 111.8 0.15 . 1 . . . . 80 PHE N . 6984 1 855 . 1 1 81 81 GLY H H 1 9.48 0.02 . 1 . . . . 81 GLY H . 6984 1 856 . 1 1 81 81 GLY HA2 H 1 4.68 0.02 . 2 . . . . 81 GLY HA2 . 6984 1 857 . 1 1 81 81 GLY HA3 H 1 4.30 0.02 . 2 . . . . 81 GLY HA3 . 6984 1 858 . 1 1 81 81 GLY C C 13 174.1 0.15 . 1 . . . . 81 GLY C . 6984 1 859 . 1 1 81 81 GLY CA C 13 44.9 0.15 . 1 . . . . 81 GLY CA . 6984 1 860 . 1 1 81 81 GLY N N 15 105.6 0.15 . 1 . . . . 81 GLY N . 6984 1 861 . 1 1 82 82 GLU H H 1 10.00 0.02 . 1 . . . . 82 GLU H . 6984 1 862 . 1 1 82 82 GLU HA H 1 4.03 0.02 . 1 . . . . 82 GLU HA . 6984 1 863 . 1 1 82 82 GLU HB2 H 1 2.11 0.02 . 2 . . . . 82 GLU HB2 . 6984 1 864 . 1 1 82 82 GLU HB3 H 1 1.87 0.02 . 2 . . . . 82 GLU HB3 . 6984 1 865 . 1 1 82 82 GLU HG2 H 1 2.13 0.02 . 2 . . . . 82 GLU HG2 . 6984 1 866 . 1 1 82 82 GLU HG3 H 1 1.97 0.02 . 2 . . . . 82 GLU HG3 . 6984 1 867 . 1 1 82 82 GLU C C 13 177.3 0.15 . 1 . . . . 82 GLU C . 6984 1 868 . 1 1 82 82 GLU CA C 13 57.9 0.15 . 1 . . . . 82 GLU CA . 6984 1 869 . 1 1 82 82 GLU CB C 13 28.6 0.15 . 1 . . . . 82 GLU CB . 6984 1 870 . 1 1 82 82 GLU CG C 13 36.3 0.15 . 1 . . . . 82 GLU CG . 6984 1 871 . 1 1 82 82 GLU N N 15 117.7 0.15 . 1 . . . . 82 GLU N . 6984 1 872 . 1 1 83 83 LEU H H 1 7.30 0.02 . 1 . . . . 83 LEU H . 6984 1 873 . 1 1 83 83 LEU HA H 1 4.05 0.02 . 1 . . . . 83 LEU HA . 6984 1 874 . 1 1 83 83 LEU HB2 H 1 1.57 0.02 . 2 . . . . 83 LEU HB2 . 6984 1 875 . 1 1 83 83 LEU HG H 1 1.30 0.02 . 1 . . . . 83 LEU HG . 6984 1 876 . 1 1 83 83 LEU HD11 H 1 0.54 0.02 . 2 . . . . 83 LEU HD1 . 6984 1 877 . 1 1 83 83 LEU HD12 H 1 0.54 0.02 . 2 . . . . 83 LEU HD1 . 6984 1 878 . 1 1 83 83 LEU HD13 H 1 0.54 0.02 . 2 . . . . 83 LEU HD1 . 6984 1 879 . 1 1 83 83 LEU HD21 H 1 0.61 0.02 . 2 . . . . 83 LEU HD2 . 6984 1 880 . 1 1 83 83 LEU HD22 H 1 0.61 0.02 . 2 . . . . 83 LEU HD2 . 6984 1 881 . 1 1 83 83 LEU HD23 H 1 0.61 0.02 . 2 . . . . 83 LEU HD2 . 6984 1 882 . 1 1 83 83 LEU C C 13 178.9 0.15 . 1 . . . . 83 LEU C . 6984 1 883 . 1 1 83 83 LEU CA C 13 58.9 0.15 . 1 . . . . 83 LEU CA . 6984 1 884 . 1 1 83 83 LEU CB C 13 41.0 0.15 . 1 . . . . 83 LEU CB . 6984 1 885 . 1 1 83 83 LEU CG C 13 27.0 0.15 . 1 . . . . 83 LEU CG . 6984 1 886 . 1 1 83 83 LEU CD1 C 13 23.7 0.15 . 1 . . . . 83 LEU CD1 . 6984 1 887 . 1 1 83 83 LEU CD2 C 13 23.7 0.15 . 1 . . . . 83 LEU CD2 . 6984 1 888 . 1 1 83 83 LEU N N 15 120.2 0.15 . 1 . . . . 83 LEU N . 6984 1 889 . 1 1 84 84 ALA H H 1 9.02 0.02 . 1 . . . . 84 ALA H . 6984 1 890 . 1 1 84 84 ALA HA H 1 4.38 0.04 . 1 . . . . 84 ALA HA . 6984 1 891 . 1 1 84 84 ALA HB1 H 1 1.47 0.04 . 1 . . . . 84 ALA HB . 6984 1 892 . 1 1 84 84 ALA HB2 H 1 1.47 0.04 . 1 . . . . 84 ALA HB . 6984 1 893 . 1 1 84 84 ALA HB3 H 1 1.47 0.04 . 1 . . . . 84 ALA HB . 6984 1 894 . 1 1 84 84 ALA C C 13 180.7 0.15 . 1 . . . . 84 ALA C . 6984 1 895 . 1 1 84 84 ALA CA C 13 55.0 0.15 . 1 . . . . 84 ALA CA . 6984 1 896 . 1 1 84 84 ALA CB C 13 20.6 0.15 . 1 . . . . 84 ALA CB . 6984 1 897 . 1 1 84 84 ALA N N 15 119.3 0.15 . 1 . . . . 84 ALA N . 6984 1 898 . 1 1 85 85 LEU H H 1 6.73 0.02 . 1 . . . . 85 LEU H . 6984 1 899 . 1 1 85 85 LEU HA H 1 3.93 0.02 . 1 . . . . 85 LEU HA . 6984 1 900 . 1 1 85 85 LEU HB2 H 1 1.42 0.02 . 2 . . . . 85 LEU HB2 . 6984 1 901 . 1 1 85 85 LEU HB3 H 1 1.37 0.02 . 2 . . . . 85 LEU HB3 . 6984 1 902 . 1 1 85 85 LEU HG H 1 1.60 0.02 . 1 . . . . 85 LEU HG . 6984 1 903 . 1 1 85 85 LEU HD11 H 1 0.65 0.02 . 2 . . . . 85 LEU HD1 . 6984 1 904 . 1 1 85 85 LEU HD12 H 1 0.65 0.02 . 2 . . . . 85 LEU HD1 . 6984 1 905 . 1 1 85 85 LEU HD13 H 1 0.65 0.02 . 2 . . . . 85 LEU HD1 . 6984 1 906 . 1 1 85 85 LEU HD21 H 1 0.55 0.02 . 2 . . . . 85 LEU HD2 . 6984 1 907 . 1 1 85 85 LEU HD22 H 1 0.55 0.02 . 2 . . . . 85 LEU HD2 . 6984 1 908 . 1 1 85 85 LEU HD23 H 1 0.55 0.02 . 2 . . . . 85 LEU HD2 . 6984 1 909 . 1 1 85 85 LEU C C 13 178.2 0.15 . 1 . . . . 85 LEU C . 6984 1 910 . 1 1 85 85 LEU CA C 13 57.6 0.15 . 1 . . . . 85 LEU CA . 6984 1 911 . 1 1 85 85 LEU CB C 13 41.4 0.18 . 1 . . . . 85 LEU CB . 6984 1 912 . 1 1 85 85 LEU CD1 C 13 24.4 0.15 . 1 . . . . 85 LEU CD1 . 6984 1 913 . 1 1 85 85 LEU CD2 C 13 23.8 0.15 . 1 . . . . 85 LEU CD2 . 6984 1 914 . 1 1 85 85 LEU N N 15 116.1 0.15 . 1 . . . . 85 LEU N . 6984 1 915 . 1 1 86 86 ILE H H 1 7.93 0.02 . 1 . . . . 86 ILE H . 6984 1 916 . 1 1 86 86 ILE HA H 1 3.68 0.03 . 1 . . . . 86 ILE HA . 6984 1 917 . 1 1 86 86 ILE HB H 1 1.28 0.03 . 1 . . . . 86 ILE HB . 6984 1 918 . 1 1 86 86 ILE HG12 H 1 0.86 0.02 . 2 . . . . 86 ILE HG12 . 6984 1 919 . 1 1 86 86 ILE HG13 H 1 0.58 0.02 . 2 . . . . 86 ILE HG13 . 6984 1 920 . 1 1 86 86 ILE HG21 H 1 0.07 0.02 . 1 . . . . 86 ILE HG2 . 6984 1 921 . 1 1 86 86 ILE HG22 H 1 0.07 0.02 . 1 . . . . 86 ILE HG2 . 6984 1 922 . 1 1 86 86 ILE HG23 H 1 0.07 0.02 . 1 . . . . 86 ILE HG2 . 6984 1 923 . 1 1 86 86 ILE HD11 H 1 0.68 0.02 . 1 . . . . 86 ILE HD1 . 6984 1 924 . 1 1 86 86 ILE HD12 H 1 0.68 0.02 . 1 . . . . 86 ILE HD1 . 6984 1 925 . 1 1 86 86 ILE HD13 H 1 0.68 0.02 . 1 . . . . 86 ILE HD1 . 6984 1 926 . 1 1 86 86 ILE C C 13 178.0 0.15 . 1 . . . . 86 ILE C . 6984 1 927 . 1 1 86 86 ILE CA C 13 64.5 0.15 . 1 . . . . 86 ILE CA . 6984 1 928 . 1 1 86 86 ILE CB C 13 39.8 0.15 . 1 . . . . 86 ILE CB . 6984 1 929 . 1 1 86 86 ILE CG1 C 13 28.6 0.15 . 1 . . . . 86 ILE CG1 . 6984 1 930 . 1 1 86 86 ILE CG2 C 13 16.1 0.15 . 1 . . . . 86 ILE CG2 . 6984 1 931 . 1 1 86 86 ILE CD1 C 13 14.0 0.15 . 1 . . . . 86 ILE CD1 . 6984 1 932 . 1 1 86 86 ILE N N 15 118.3 0.15 . 1 . . . . 86 ILE N . 6984 1 933 . 1 1 87 87 TYR H H 1 8.19 0.02 . 1 . . . . 87 TYR H . 6984 1 934 . 1 1 87 87 TYR HA H 1 4.59 0.02 . 1 . . . . 87 TYR HA . 6984 1 935 . 1 1 87 87 TYR HB2 H 1 3.32 0.02 . 2 . . . . 87 TYR HB2 . 6984 1 936 . 1 1 87 87 TYR HB3 H 1 3.08 0.02 . 2 . . . . 87 TYR HB3 . 6984 1 937 . 1 1 87 87 TYR HD1 H 1 7.35 0.03 . 1 . . . . 87 TYR HD1 . 6984 1 938 . 1 1 87 87 TYR HD2 H 1 7.35 0.03 . 1 . . . . 87 TYR HD2 . 6984 1 939 . 1 1 87 87 TYR C C 13 177.4 0.15 . 1 . . . . 87 TYR C . 6984 1 940 . 1 1 87 87 TYR CA C 13 59.2 0.15 . 1 . . . . 87 TYR CA . 6984 1 941 . 1 1 87 87 TYR CB C 13 39.8 0.15 . 1 . . . . 87 TYR CB . 6984 1 942 . 1 1 87 87 TYR N N 15 113.7 0.15 . 1 . . . . 87 TYR N . 6984 1 943 . 1 1 88 88 GLY H H 1 7.87 0.02 . 1 . . . . 88 GLY H . 6984 1 944 . 1 1 88 88 GLY HA2 H 1 4.07 0.02 . 1 . . . . 88 GLY HA2 . 6984 1 945 . 1 1 88 88 GLY HA3 H 1 4.07 0.02 . 1 . . . . 88 GLY HA3 . 6984 1 946 . 1 1 88 88 GLY C C 13 174.1 0.15 . 1 . . . . 88 GLY C . 6984 1 947 . 1 1 88 88 GLY CA C 13 46.5 0.15 . 1 . . . . 88 GLY CA . 6984 1 948 . 1 1 88 88 GLY N N 15 109.0 0.15 . 1 . . . . 88 GLY N . 6984 1 949 . 1 1 89 89 THR H H 1 7.42 0.02 . 1 . . . . 89 THR H . 6984 1 950 . 1 1 89 89 THR HA H 1 4.62 0.03 . 1 . . . . 89 THR HA . 6984 1 951 . 1 1 89 89 THR HB H 1 4.38 0.02 . 1 . . . . 89 THR HB . 6984 1 952 . 1 1 89 89 THR HG21 H 1 1.21 0.02 . 1 . . . . 89 THR HG2 . 6984 1 953 . 1 1 89 89 THR HG22 H 1 1.21 0.02 . 1 . . . . 89 THR HG2 . 6984 1 954 . 1 1 89 89 THR HG23 H 1 1.21 0.02 . 1 . . . . 89 THR HG2 . 6984 1 955 . 1 1 89 89 THR CA C 13 58.4 0.15 . 1 . . . . 89 THR CA . 6984 1 956 . 1 1 89 89 THR CB C 13 68.3 0.15 . 1 . . . . 89 THR CB . 6984 1 957 . 1 1 89 89 THR CG2 C 13 23.3 0.15 . 1 . . . . 89 THR CG2 . 6984 1 958 . 1 1 89 89 THR N N 15 109.2 0.15 . 1 . . . . 89 THR N . 6984 1 959 . 1 1 90 90 PRO HA H 1 4.58 0.02 . 1 . . . . 90 PRO HA . 6984 1 960 . 1 1 90 90 PRO HB2 H 1 2.27 0.02 . 2 . . . . 90 PRO HB2 . 6984 1 961 . 1 1 90 90 PRO HB3 H 1 1.72 0.02 . 2 . . . . 90 PRO HB3 . 6984 1 962 . 1 1 90 90 PRO C C 13 178.3 0.15 . 1 . . . . 90 PRO C . 6984 1 963 . 1 1 90 90 PRO CA C 13 62.0 0.15 . 1 . . . . 90 PRO CA . 6984 1 964 . 1 1 90 90 PRO CB C 13 31.8 0.15 . 1 . . . . 90 PRO CB . 6984 1 965 . 1 1 91 91 ARG H H 1 9.49 0.02 . 1 . . . . 91 ARG H . 6984 1 966 . 1 1 91 91 ARG HA H 1 4.10 0.02 . 1 . . . . 91 ARG HA . 6984 1 967 . 1 1 91 91 ARG HB2 H 1 2.48 0.02 . 2 . . . . 91 ARG HB2 . 6984 1 968 . 1 1 91 91 ARG HB3 H 1 1.88 0.02 . 2 . . . . 91 ARG HB3 . 6984 1 969 . 1 1 91 91 ARG C C 13 178.8 0.15 . 1 . . . . 91 ARG C . 6984 1 970 . 1 1 91 91 ARG CA C 13 55.6 0.15 . 1 . . . . 91 ARG CA . 6984 1 971 . 1 1 91 91 ARG CB C 13 32.3 0.15 . 1 . . . . 91 ARG CB . 6984 1 972 . 1 1 91 91 ARG N N 15 119.5 0.15 . 1 . . . . 91 ARG N . 6984 1 973 . 1 1 92 92 ALA H H 1 10.32 0.02 . 1 . . . . 92 ALA H . 6984 1 974 . 1 1 92 92 ALA HA H 1 4.42 0.04 . 1 . . . . 92 ALA HA . 6984 1 975 . 1 1 92 92 ALA HB1 H 1 1.83 0.03 . 1 . . . . 92 ALA HB . 6984 1 976 . 1 1 92 92 ALA HB2 H 1 1.83 0.03 . 1 . . . . 92 ALA HB . 6984 1 977 . 1 1 92 92 ALA HB3 H 1 1.83 0.03 . 1 . . . . 92 ALA HB . 6984 1 978 . 1 1 92 92 ALA C C 13 174.4 0.15 . 1 . . . . 92 ALA C . 6984 1 979 . 1 1 92 92 ALA CA C 13 52.8 0.15 . 1 . . . . 92 ALA CA . 6984 1 980 . 1 1 92 92 ALA CB C 13 19.9 0.15 . 1 . . . . 92 ALA CB . 6984 1 981 . 1 1 92 92 ALA N N 15 128.4 0.15 . 1 . . . . 92 ALA N . 6984 1 982 . 1 1 93 93 ALA H H 1 7.34 0.02 . 1 . . . . 93 ALA H . 6984 1 983 . 1 1 93 93 ALA HA H 1 4.56 0.03 . 1 . . . . 93 ALA HA . 6984 1 984 . 1 1 93 93 ALA HB1 H 1 0.57 0.04 . 1 . . . . 93 ALA HB . 6984 1 985 . 1 1 93 93 ALA HB2 H 1 0.57 0.04 . 1 . . . . 93 ALA HB . 6984 1 986 . 1 1 93 93 ALA HB3 H 1 0.57 0.04 . 1 . . . . 93 ALA HB . 6984 1 987 . 1 1 93 93 ALA C C 13 175.0 0.15 . 1 . . . . 93 ALA C . 6984 1 988 . 1 1 93 93 ALA CA C 13 50.6 0.15 . 1 . . . . 93 ALA CA . 6984 1 989 . 1 1 93 93 ALA CB C 13 22.8 0.15 . 1 . . . . 93 ALA CB . 6984 1 990 . 1 1 93 93 ALA N N 15 114.8 0.15 . 1 . . . . 93 ALA N . 6984 1 991 . 1 1 94 94 THR H H 1 9.07 0.02 . 1 . . . . 94 THR H . 6984 1 992 . 1 1 94 94 THR HA H 1 4.91 0.02 . 1 . . . . 94 THR HA . 6984 1 993 . 1 1 94 94 THR HB H 1 4.19 0.05 . 1 . . . . 94 THR HB . 6984 1 994 . 1 1 94 94 THR HG21 H 1 1.32 0.02 . 1 . . . . 94 THR HG2 . 6984 1 995 . 1 1 94 94 THR HG22 H 1 1.32 0.02 . 1 . . . . 94 THR HG2 . 6984 1 996 . 1 1 94 94 THR HG23 H 1 1.32 0.02 . 1 . . . . 94 THR HG2 . 6984 1 997 . 1 1 94 94 THR C C 13 173.9 0.15 . 1 . . . . 94 THR C . 6984 1 998 . 1 1 94 94 THR CA C 13 60.4 0.15 . 1 . . . . 94 THR CA . 6984 1 999 . 1 1 94 94 THR CB C 13 71.4 0.15 . 1 . . . . 94 THR CB . 6984 1 1000 . 1 1 94 94 THR CG2 C 13 22.5 0.15 . 1 . . . . 94 THR CG2 . 6984 1 1001 . 1 1 94 94 THR N N 15 116.5 0.15 . 1 . . . . 94 THR N . 6984 1 1002 . 1 1 95 95 VAL H H 1 9.41 0.02 . 1 . . . . 95 VAL H . 6984 1 1003 . 1 1 95 95 VAL HA H 1 4.99 0.04 . 1 . . . . 95 VAL HA . 6984 1 1004 . 1 1 95 95 VAL HB H 1 1.47 0.05 . 1 . . . . 95 VAL HB . 6984 1 1005 . 1 1 95 95 VAL HG11 H 1 0.63 0.04 . 2 . . . . 95 VAL HG1 . 6984 1 1006 . 1 1 95 95 VAL HG12 H 1 0.63 0.04 . 2 . . . . 95 VAL HG1 . 6984 1 1007 . 1 1 95 95 VAL HG13 H 1 0.63 0.04 . 2 . . . . 95 VAL HG1 . 6984 1 1008 . 1 1 95 95 VAL HG21 H 1 -0.13 0.02 . 2 . . . . 95 VAL HG2 . 6984 1 1009 . 1 1 95 95 VAL HG22 H 1 -0.13 0.02 . 2 . . . . 95 VAL HG2 . 6984 1 1010 . 1 1 95 95 VAL HG23 H 1 -0.13 0.02 . 2 . . . . 95 VAL HG2 . 6984 1 1011 . 1 1 95 95 VAL C C 13 175.1 0.15 . 1 . . . . 95 VAL C . 6984 1 1012 . 1 1 95 95 VAL CA C 13 61.0 0.15 . 1 . . . . 95 VAL CA . 6984 1 1013 . 1 1 95 95 VAL CB C 13 33.3 0.15 . 1 . . . . 95 VAL CB . 6984 1 1014 . 1 1 95 95 VAL CG1 C 13 20.6 0.15 . 1 . . . . 95 VAL CG1 . 6984 1 1015 . 1 1 95 95 VAL CG2 C 13 20.6 0.15 . 1 . . . . 95 VAL CG2 . 6984 1 1016 . 1 1 95 95 VAL N N 15 126.7 0.15 . 1 . . . . 95 VAL N . 6984 1 1017 . 1 1 96 96 LYS H H 1 9.30 0.02 . 1 . . . . 96 LYS H . 6984 1 1018 . 1 1 96 96 LYS HA H 1 5.03 0.03 . 1 . . . . 96 LYS HA . 6984 1 1019 . 1 1 96 96 LYS HB2 H 1 1.72 0.03 . 2 . . . . 96 LYS HB2 . 6984 1 1020 . 1 1 96 96 LYS HG2 H 1 1.33 0.02 . 2 . . . . 96 LYS HG2 . 6984 1 1021 . 1 1 96 96 LYS HG3 H 1 1.28 0.02 . 2 . . . . 96 LYS HG3 . 6984 1 1022 . 1 1 96 96 LYS HD2 H 1 1.52 0.02 . 1 . . . . 96 LYS HD2 . 6984 1 1023 . 1 1 96 96 LYS HD3 H 1 1.52 0.02 . 1 . . . . 96 LYS HD3 . 6984 1 1024 . 1 1 96 96 LYS HE2 H 1 2.76 0.02 . 2 . . . . 96 LYS HE2 . 6984 1 1025 . 1 1 96 96 LYS HE3 H 1 2.57 0.02 . 2 . . . . 96 LYS HE3 . 6984 1 1026 . 1 1 96 96 LYS C C 13 175.2 0.15 . 1 . . . . 96 LYS C . 6984 1 1027 . 1 1 96 96 LYS CA C 13 54.2 0.15 . 1 . . . . 96 LYS CA . 6984 1 1028 . 1 1 96 96 LYS CB C 13 36.9 0.15 . 1 . . . . 96 LYS CB . 6984 1 1029 . 1 1 96 96 LYS CG C 13 25.2 0.15 . 1 . . . . 96 LYS CG . 6984 1 1030 . 1 1 96 96 LYS CD C 13 29.4 0.15 . 1 . . . . 96 LYS CD . 6984 1 1031 . 1 1 96 96 LYS CE C 13 41.3 0.15 . 1 . . . . 96 LYS CE . 6984 1 1032 . 1 1 96 96 LYS N N 15 126.6 0.15 . 1 . . . . 96 LYS N . 6984 1 1033 . 1 1 97 97 ALA H H 1 8.78 0.02 . 1 . . . . 97 ALA H . 6984 1 1034 . 1 1 97 97 ALA HA H 1 4.58 0.02 . 1 . . . . 97 ALA HA . 6984 1 1035 . 1 1 97 97 ALA HB1 H 1 1.58 0.05 . 1 . . . . 97 ALA HB . 6984 1 1036 . 1 1 97 97 ALA HB2 H 1 1.58 0.05 . 1 . . . . 97 ALA HB . 6984 1 1037 . 1 1 97 97 ALA HB3 H 1 1.58 0.05 . 1 . . . . 97 ALA HB . 6984 1 1038 . 1 1 97 97 ALA C C 13 177.4 0.15 . 1 . . . . 97 ALA C . 6984 1 1039 . 1 1 97 97 ALA CA C 13 53.1 0.15 . 1 . . . . 97 ALA CA . 6984 1 1040 . 1 1 97 97 ALA CB C 13 18.1 0.15 . 1 . . . . 97 ALA CB . 6984 1 1041 . 1 1 97 97 ALA N N 15 126.7 0.15 . 1 . . . . 97 ALA N . 6984 1 1042 . 1 1 98 98 LYS H H 1 9.29 0.02 . 1 . . . . 98 LYS H . 6984 1 1043 . 1 1 98 98 LYS HA H 1 4.33 0.02 . 1 . . . . 98 LYS HA . 6984 1 1044 . 1 1 98 98 LYS HB2 H 1 1.79 0.02 . 2 . . . . 98 LYS HB2 . 6984 1 1045 . 1 1 98 98 LYS HB3 H 1 1.61 0.02 . 2 . . . . 98 LYS HB3 . 6984 1 1046 . 1 1 98 98 LYS HG2 H 1 1.48 0.02 . 2 . . . . 98 LYS HG2 . 6984 1 1047 . 1 1 98 98 LYS HG3 H 1 1.56 0.02 . 2 . . . . 98 LYS HG3 . 6984 1 1048 . 1 1 98 98 LYS HD2 H 1 1.64 0.02 . 1 . . . . 98 LYS HD2 . 6984 1 1049 . 1 1 98 98 LYS HD3 H 1 1.64 0.02 . 1 . . . . 98 LYS HD3 . 6984 1 1050 . 1 1 98 98 LYS HE2 H 1 2.85 0.02 . 2 . . . . 98 LYS HE2 . 6984 1 1051 . 1 1 98 98 LYS HE3 H 1 2.75 0.02 . 2 . . . . 98 LYS HE3 . 6984 1 1052 . 1 1 98 98 LYS C C 13 177.0 0.15 . 1 . . . . 98 LYS C . 6984 1 1053 . 1 1 98 98 LYS CA C 13 58.5 0.15 . 1 . . . . 98 LYS CA . 6984 1 1054 . 1 1 98 98 LYS CB C 13 33.6 0.15 . 1 . . . . 98 LYS CB . 6984 1 1055 . 1 1 98 98 LYS CG C 13 24.8 0.15 . 1 . . . . 98 LYS CG . 6984 1 1056 . 1 1 98 98 LYS CD C 13 29.1 0.15 . 1 . . . . 98 LYS CD . 6984 1 1057 . 1 1 98 98 LYS CE C 13 41.8 0.15 . 1 . . . . 98 LYS CE . 6984 1 1058 . 1 1 98 98 LYS N N 15 131.2 0.15 . 1 . . . . 98 LYS N . 6984 1 1059 . 1 1 99 99 THR H H 1 7.35 0.02 . 1 . . . . 99 THR H . 6984 1 1060 . 1 1 99 99 THR HA H 1 4.60 0.02 . 1 . . . . 99 THR HA . 6984 1 1061 . 1 1 99 99 THR HB H 1 4.76 0.04 . 1 . . . . 99 THR HB . 6984 1 1062 . 1 1 99 99 THR HG21 H 1 1.21 0.02 . 1 . . . . 99 THR HG2 . 6984 1 1063 . 1 1 99 99 THR HG22 H 1 1.21 0.02 . 1 . . . . 99 THR HG2 . 6984 1 1064 . 1 1 99 99 THR HG23 H 1 1.21 0.02 . 1 . . . . 99 THR HG2 . 6984 1 1065 . 1 1 99 99 THR C C 13 173.8 0.15 . 1 . . . . 99 THR C . 6984 1 1066 . 1 1 99 99 THR CA C 13 59.6 0.15 . 1 . . . . 99 THR CA . 6984 1 1067 . 1 1 99 99 THR CB C 13 72.4 0.15 . 1 . . . . 99 THR CB . 6984 1 1068 . 1 1 99 99 THR CG2 C 13 20.6 0.15 . 1 . . . . 99 THR CG2 . 6984 1 1069 . 1 1 99 99 THR N N 15 108.2 0.15 . 1 . . . . 99 THR N . 6984 1 1070 . 1 1 100 100 ASN H H 1 8.53 0.02 . 1 . . . . 100 ASN H . 6984 1 1071 . 1 1 100 100 ASN HA H 1 4.96 0.02 . 1 . . . . 100 ASN HA . 6984 1 1072 . 1 1 100 100 ASN HB2 H 1 3.09 0.02 . 2 . . . . 100 ASN HB2 . 6984 1 1073 . 1 1 100 100 ASN HB3 H 1 2.84 0.02 . 2 . . . . 100 ASN HB3 . 6984 1 1074 . 1 1 100 100 ASN HD21 H 1 7.64 0.02 . 2 . . . . 100 ASN HD21 . 6984 1 1075 . 1 1 100 100 ASN HD22 H 1 6.88 0.02 . 2 . . . . 100 ASN HD22 . 6984 1 1076 . 1 1 100 100 ASN C C 13 178.5 0.15 . 1 . . . . 100 ASN C . 6984 1 1077 . 1 1 100 100 ASN CA C 13 54.8 0.15 . 1 . . . . 100 ASN CA . 6984 1 1078 . 1 1 100 100 ASN CB C 13 36.9 0.15 . 1 . . . . 100 ASN CB . 6984 1 1079 . 1 1 100 100 ASN N N 15 116.9 0.15 . 1 . . . . 100 ASN N . 6984 1 1080 . 1 1 100 100 ASN ND2 N 15 111.3 0.15 . 1 . . . . 100 ASN ND2 . 6984 1 1081 . 1 1 101 101 VAL H H 1 9.06 0.02 . 1 . . . . 101 VAL H . 6984 1 1082 . 1 1 101 101 VAL HA H 1 5.39 0.02 . 1 . . . . 101 VAL HA . 6984 1 1083 . 1 1 101 101 VAL HB H 1 2.12 0.03 . 1 . . . . 101 VAL HB . 6984 1 1084 . 1 1 101 101 VAL HG11 H 1 1.15 0.02 . 2 . . . . 101 VAL HG1 . 6984 1 1085 . 1 1 101 101 VAL HG12 H 1 1.15 0.02 . 2 . . . . 101 VAL HG1 . 6984 1 1086 . 1 1 101 101 VAL HG13 H 1 1.15 0.02 . 2 . . . . 101 VAL HG1 . 6984 1 1087 . 1 1 101 101 VAL HG21 H 1 1.08 0.02 . 2 . . . . 101 VAL HG2 . 6984 1 1088 . 1 1 101 101 VAL HG22 H 1 1.08 0.02 . 2 . . . . 101 VAL HG2 . 6984 1 1089 . 1 1 101 101 VAL HG23 H 1 1.08 0.02 . 2 . . . . 101 VAL HG2 . 6984 1 1090 . 1 1 101 101 VAL C C 13 175.1 0.15 . 1 . . . . 101 VAL C . 6984 1 1091 . 1 1 101 101 VAL CA C 13 59.6 0.15 . 1 . . . . 101 VAL CA . 6984 1 1092 . 1 1 101 101 VAL CB C 13 36.8 0.15 . 1 . . . . 101 VAL CB . 6984 1 1093 . 1 1 101 101 VAL CG1 C 13 22.0 0.15 . 1 . . . . 101 VAL CG1 . 6984 1 1094 . 1 1 101 101 VAL CG2 C 13 21.1 0.15 . 1 . . . . 101 VAL CG2 . 6984 1 1095 . 1 1 101 101 VAL N N 15 119.3 0.15 . 1 . . . . 101 VAL N . 6984 1 1096 . 1 1 102 102 LYS H H 1 8.69 0.02 . 1 . . . . 102 LYS H . 6984 1 1097 . 1 1 102 102 LYS HA H 1 4.83 0.03 . 1 . . . . 102 LYS HA . 6984 1 1098 . 1 1 102 102 LYS HB2 H 1 1.91 0.03 . 2 . . . . 102 LYS HB2 . 6984 1 1099 . 1 1 102 102 LYS HB3 H 1 1.68 0.02 . 2 . . . . 102 LYS HB3 . 6984 1 1100 . 1 1 102 102 LYS HG2 H 1 1.39 0.02 . 2 . . . . 102 LYS HG2 . 6984 1 1101 . 1 1 102 102 LYS HG3 H 1 1.27 0.02 . 2 . . . . 102 LYS HG3 . 6984 1 1102 . 1 1 102 102 LYS HD2 H 1 1.65 0.03 . 1 . . . . 102 LYS HD2 . 6984 1 1103 . 1 1 102 102 LYS HD3 H 1 1.65 0.03 . 1 . . . . 102 LYS HD3 . 6984 1 1104 . 1 1 102 102 LYS HE2 H 1 2.83 0.02 . 2 . . . . 102 LYS HE2 . 6984 1 1105 . 1 1 102 102 LYS HE3 H 1 2.73 0.02 . 2 . . . . 102 LYS HE3 . 6984 1 1106 . 1 1 102 102 LYS C C 13 174.7 0.15 . 1 . . . . 102 LYS C . 6984 1 1107 . 1 1 102 102 LYS CA C 13 55.9 0.15 . 1 . . . . 102 LYS CA . 6984 1 1108 . 1 1 102 102 LYS CB C 13 35.0 0.15 . 1 . . . . 102 LYS CB . 6984 1 1109 . 1 1 102 102 LYS CG C 13 24.9 0.15 . 1 . . . . 102 LYS CG . 6984 1 1110 . 1 1 102 102 LYS CD C 13 29.0 0.15 . 1 . . . . 102 LYS CD . 6984 1 1111 . 1 1 102 102 LYS CE C 13 41.8 0.15 . 1 . . . . 102 LYS CE . 6984 1 1112 . 1 1 102 102 LYS N N 15 122.9 0.15 . 1 . . . . 102 LYS N . 6984 1 1113 . 1 1 103 103 LEU H H 1 9.17 0.02 . 1 . . . . 103 LEU H . 6984 1 1114 . 1 1 103 103 LEU HA H 1 5.32 0.02 . 1 . . . . 103 LEU HA . 6984 1 1115 . 1 1 103 103 LEU HB2 H 1 1.92 0.02 . 2 . . . . 103 LEU HB2 . 6984 1 1116 . 1 1 103 103 LEU HB3 H 1 1.50 0.02 . 2 . . . . 103 LEU HB3 . 6984 1 1117 . 1 1 103 103 LEU HG H 1 1.06 0.02 . 1 . . . . 103 LEU HG . 6984 1 1118 . 1 1 103 103 LEU HD11 H 1 0.65 0.02 . 2 . . . . 103 LEU HD1 . 6984 1 1119 . 1 1 103 103 LEU HD12 H 1 0.65 0.02 . 2 . . . . 103 LEU HD1 . 6984 1 1120 . 1 1 103 103 LEU HD13 H 1 0.65 0.02 . 2 . . . . 103 LEU HD1 . 6984 1 1121 . 1 1 103 103 LEU HD21 H 1 0.65 0.02 . 2 . . . . 103 LEU HD2 . 6984 1 1122 . 1 1 103 103 LEU HD22 H 1 0.65 0.02 . 2 . . . . 103 LEU HD2 . 6984 1 1123 . 1 1 103 103 LEU HD23 H 1 0.65 0.02 . 2 . . . . 103 LEU HD2 . 6984 1 1124 . 1 1 103 103 LEU C C 13 175.7 0.15 . 1 . . . . 103 LEU C . 6984 1 1125 . 1 1 103 103 LEU CA C 13 52.3 0.15 . 1 . . . . 103 LEU CA . 6984 1 1126 . 1 1 103 103 LEU CB C 13 45.7 0.15 . 1 . . . . 103 LEU CB . 6984 1 1127 . 1 1 103 103 LEU CG C 13 26.5 0.15 . 1 . . . . 103 LEU CG . 6984 1 1128 . 1 1 103 103 LEU CD1 C 13 25.1 0.15 . 1 . . . . 103 LEU CD1 . 6984 1 1129 . 1 1 103 103 LEU CD2 C 13 25.1 0.15 . 1 . . . . 103 LEU CD2 . 6984 1 1130 . 1 1 103 103 LEU N N 15 123.7 0.15 . 1 . . . . 103 LEU N . 6984 1 1131 . 1 1 104 104 TRP H H 1 9.05 0.02 . 1 . . . . 104 TRP H . 6984 1 1132 . 1 1 104 104 TRP HA H 1 5.27 0.02 . 1 . . . . 104 TRP HA . 6984 1 1133 . 1 1 104 104 TRP HB2 H 1 3.03 0.02 . 2 . . . . 104 TRP HB2 . 6984 1 1134 . 1 1 104 104 TRP HB3 H 1 2.74 0.02 . 2 . . . . 104 TRP HB3 . 6984 1 1135 . 1 1 104 104 TRP HD1 H 1 6.74 0.03 . 1 . . . . 104 TRP HD1 . 6984 1 1136 . 1 1 104 104 TRP HE1 H 1 10.52 0.02 . 1 . . . . 104 TRP HE1 . 6984 1 1137 . 1 1 104 104 TRP HZ2 H 1 7.38 0.03 . 1 . . . . 104 TRP HZ2 . 6984 1 1138 . 1 1 104 104 TRP C C 13 175.6 0.15 . 1 . . . . 104 TRP C . 6984 1 1139 . 1 1 104 104 TRP CA C 13 55.9 0.15 . 1 . . . . 104 TRP CA . 6984 1 1140 . 1 1 104 104 TRP CB C 13 31.8 0.15 . 1 . . . . 104 TRP CB . 6984 1 1141 . 1 1 104 104 TRP N N 15 120.4 0.15 . 1 . . . . 104 TRP N . 6984 1 1142 . 1 1 104 104 TRP NE1 N 15 129.0 0.15 . 1 . . . . 104 TRP NE1 . 6984 1 1143 . 1 1 105 105 GLY H H 1 9.36 0.02 . 1 . . . . 105 GLY H . 6984 1 1144 . 1 1 105 105 GLY HA2 H 1 5.06 0.02 . 2 . . . . 105 GLY HA2 . 6984 1 1145 . 1 1 105 105 GLY HA3 H 1 2.40 0.02 . 2 . . . . 105 GLY HA3 . 6984 1 1146 . 1 1 105 105 GLY C C 13 171.8 0.15 . 1 . . . . 105 GLY C . 6984 1 1147 . 1 1 105 105 GLY CA C 13 43.3 0.15 . 1 . . . . 105 GLY CA . 6984 1 1148 . 1 1 105 105 GLY N N 15 109.7 0.15 . 1 . . . . 105 GLY N . 6984 1 1149 . 1 1 106 106 ILE H H 1 8.31 0.02 . 1 . . . . 106 ILE H . 6984 1 1150 . 1 1 106 106 ILE HA H 1 4.57 0.02 . 1 . . . . 106 ILE HA . 6984 1 1151 . 1 1 106 106 ILE HB H 1 1.92 0.02 . 1 . . . . 106 ILE HB . 6984 1 1152 . 1 1 106 106 ILE HG12 H 1 1.81 0.02 . 2 . . . . 106 ILE HG12 . 6984 1 1153 . 1 1 106 106 ILE HG13 H 1 1.39 0.02 . 2 . . . . 106 ILE HG13 . 6984 1 1154 . 1 1 106 106 ILE HG21 H 1 1.11 0.02 . 1 . . . . 106 ILE HG2 . 6984 1 1155 . 1 1 106 106 ILE HG22 H 1 1.11 0.02 . 1 . . . . 106 ILE HG2 . 6984 1 1156 . 1 1 106 106 ILE HG23 H 1 1.11 0.02 . 1 . . . . 106 ILE HG2 . 6984 1 1157 . 1 1 106 106 ILE HD11 H 1 1.01 0.02 . 1 . . . . 106 ILE HD1 . 6984 1 1158 . 1 1 106 106 ILE HD12 H 1 1.01 0.02 . 1 . . . . 106 ILE HD1 . 6984 1 1159 . 1 1 106 106 ILE HD13 H 1 1.01 0.02 . 1 . . . . 106 ILE HD1 . 6984 1 1160 . 1 1 106 106 ILE C C 13 173.3 0.15 . 1 . . . . 106 ILE C . 6984 1 1161 . 1 1 106 106 ILE CA C 13 60.3 0.15 . 1 . . . . 106 ILE CA . 6984 1 1162 . 1 1 106 106 ILE CB C 13 41.9 0.15 . 1 . . . . 106 ILE CB . 6984 1 1163 . 1 1 106 106 ILE CG1 C 13 29.0 0.15 . 1 . . . . 106 ILE CG1 . 6984 1 1164 . 1 1 106 106 ILE CG2 C 13 17.4 0.15 . 1 . . . . 106 ILE CG2 . 6984 1 1165 . 1 1 106 106 ILE CD1 C 13 14.6 0.17 . 1 . . . . 106 ILE CD1 . 6984 1 1166 . 1 1 106 106 ILE N N 15 115.2 0.15 . 1 . . . . 106 ILE N . 6984 1 1167 . 1 1 107 107 ASP H H 1 8.60 0.02 . 1 . . . . 107 ASP H . 6984 1 1168 . 1 1 107 107 ASP HA H 1 5.45 0.02 . 1 . . . . 107 ASP HA . 6984 1 1169 . 1 1 107 107 ASP HB2 H 1 3.16 0.02 . 2 . . . . 107 ASP HB2 . 6984 1 1170 . 1 1 107 107 ASP HB3 H 1 2.89 0.02 . 2 . . . . 107 ASP HB3 . 6984 1 1171 . 1 1 107 107 ASP C C 13 176.3 0.15 . 1 . . . . 107 ASP C . 6984 1 1172 . 1 1 107 107 ASP CA C 13 53.7 0.15 . 1 . . . . 107 ASP CA . 6984 1 1173 . 1 1 107 107 ASP CB C 13 43.1 0.15 . 1 . . . . 107 ASP CB . 6984 1 1174 . 1 1 107 107 ASP N N 15 124.3 0.15 . 1 . . . . 107 ASP N . 6984 1 1175 . 1 1 108 108 ARG H H 1 8.15 0.03 . 1 . . . . 108 ARG H . 6984 1 1176 . 1 1 108 108 ARG HA H 1 3.93 0.02 . 1 . . . . 108 ARG HA . 6984 1 1177 . 1 1 108 108 ARG HB2 H 1 1.98 0.03 . 2 . . . . 108 ARG HB2 . 6984 1 1178 . 1 1 108 108 ARG HB3 H 1 1.86 0.02 . 2 . . . . 108 ARG HB3 . 6984 1 1179 . 1 1 108 108 ARG HG2 H 1 1.75 0.02 . 2 . . . . 108 ARG HG2 . 6984 1 1180 . 1 1 108 108 ARG HG3 H 1 1.69 0.02 . 2 . . . . 108 ARG HG3 . 6984 1 1181 . 1 1 108 108 ARG HD2 H 1 3.26 0.02 . 1 . . . . 108 ARG HD2 . 6984 1 1182 . 1 1 108 108 ARG HD3 H 1 3.26 0.02 . 1 . . . . 108 ARG HD3 . 6984 1 1183 . 1 1 108 108 ARG CA C 13 60.2 0.15 . 1 . . . . 108 ARG CA . 6984 1 1184 . 1 1 108 108 ARG CB C 13 31.0 0.15 . 1 . . . . 108 ARG CB . 6984 1 1185 . 1 1 108 108 ARG CG C 13 27.1 0.15 . 1 . . . . 108 ARG CG . 6984 1 1186 . 1 1 108 108 ARG CD C 13 43.3 0.15 . 1 . . . . 108 ARG CD . 6984 1 1187 . 1 1 108 108 ARG N N 15 119.1 0.15 . 1 . . . . 108 ARG N . 6984 1 1188 . 1 1 109 109 ASP H H 1 8.52 0.02 . 1 . . . . 109 ASP H . 6984 1 1189 . 1 1 109 109 ASP HA H 1 4.51 0.04 . 1 . . . . 109 ASP HA . 6984 1 1190 . 1 1 109 109 ASP HB2 H 1 2.85 0.02 . 2 . . . . 109 ASP HB2 . 6984 1 1191 . 1 1 109 109 ASP HB3 H 1 2.74 0.02 . 2 . . . . 109 ASP HB3 . 6984 1 1192 . 1 1 109 109 ASP CA C 13 58.1 0.15 . 1 . . . . 109 ASP CA . 6984 1 1193 . 1 1 109 109 ASP CB C 13 40.5 0.15 . 1 . . . . 109 ASP CB . 6984 1 1194 . 1 1 109 109 ASP N N 15 119.1 0.15 . 1 . . . . 109 ASP N . 6984 1 1195 . 1 1 110 110 SER H H 1 8.50 0.02 . 1 . . . . 110 SER H . 6984 1 1196 . 1 1 110 110 SER HA H 1 4.17 0.03 . 1 . . . . 110 SER HA . 6984 1 1197 . 1 1 110 110 SER HB2 H 1 4.08 0.02 . 2 . . . . 110 SER HB2 . 6984 1 1198 . 1 1 110 110 SER HB3 H 1 3.67 0.02 . 2 . . . . 110 SER HB3 . 6984 1 1199 . 1 1 110 110 SER C C 13 175.6 0.15 . 1 . . . . 110 SER C . 6984 1 1200 . 1 1 110 110 SER CA C 13 62.6 0.15 . 1 . . . . 110 SER CA . 6984 1 1201 . 1 1 110 110 SER CB C 13 62.3 0.15 . 1 . . . . 110 SER CB . 6984 1 1202 . 1 1 110 110 SER N N 15 119.1 0.15 . 1 . . . . 110 SER N . 6984 1 1203 . 1 1 111 111 TYR H H 1 8.70 0.02 . 1 . . . . 111 TYR H . 6984 1 1204 . 1 1 111 111 TYR HA H 1 3.71 0.02 . 1 . . . . 111 TYR HA . 6984 1 1205 . 1 1 111 111 TYR HB2 H 1 3.13 0.02 . 2 . . . . 111 TYR HB2 . 6984 1 1206 . 1 1 111 111 TYR HB3 H 1 2.80 0.02 . 2 . . . . 111 TYR HB3 . 6984 1 1207 . 1 1 111 111 TYR HD1 H 1 6.49 0.02 . 1 . . . . 111 TYR HD1 . 6984 1 1208 . 1 1 111 111 TYR HD2 H 1 6.49 0.02 . 1 . . . . 111 TYR HD2 . 6984 1 1209 . 1 1 111 111 TYR C C 13 177.1 0.15 . 1 . . . . 111 TYR C . 6984 1 1210 . 1 1 111 111 TYR CA C 13 62.5 0.15 . 1 . . . . 111 TYR CA . 6984 1 1211 . 1 1 111 111 TYR CB C 13 39.1 0.15 . 1 . . . . 111 TYR CB . 6984 1 1212 . 1 1 111 111 TYR N N 15 121.9 0.15 . 1 . . . . 111 TYR N . 6984 1 1213 . 1 1 112 112 ARG H H 1 8.55 0.02 . 1 . . . . 112 ARG H . 6984 1 1214 . 1 1 112 112 ARG HA H 1 3.77 0.02 . 1 . . . . 112 ARG HA . 6984 1 1215 . 1 1 112 112 ARG HB2 H 1 1.96 0.02 . 1 . . . . 112 ARG HB2 . 6984 1 1216 . 1 1 112 112 ARG HB3 H 1 1.96 0.02 . 1 . . . . 112 ARG HB3 . 6984 1 1217 . 1 1 112 112 ARG HG2 H 1 1.76 0.02 . 2 . . . . 112 ARG HG2 . 6984 1 1218 . 1 1 112 112 ARG HD2 H 1 3.20 0.02 . 1 . . . . 112 ARG HD2 . 6984 1 1219 . 1 1 112 112 ARG HD3 H 1 3.20 0.02 . 1 . . . . 112 ARG HD3 . 6984 1 1220 . 1 1 112 112 ARG C C 13 178.3 0.15 . 1 . . . . 112 ARG C . 6984 1 1221 . 1 1 112 112 ARG CA C 13 59.6 0.15 . 1 . . . . 112 ARG CA . 6984 1 1222 . 1 1 112 112 ARG CB C 13 30.3 0.18 . 1 . . . . 112 ARG CB . 6984 1 1223 . 1 1 112 112 ARG CG C 13 28.5 0.15 . 1 . . . . 112 ARG CG . 6984 1 1224 . 1 1 112 112 ARG CD C 13 43.4 0.15 . 1 . . . . 112 ARG CD . 6984 1 1225 . 1 1 112 112 ARG N N 15 116.9 0.15 . 1 . . . . 112 ARG N . 6984 1 1226 . 1 1 113 113 ARG H H 1 8.04 0.02 . 1 . . . . 113 ARG H . 6984 1 1227 . 1 1 113 113 ARG HA H 1 4.06 0.02 . 1 . . . . 113 ARG HA . 6984 1 1228 . 1 1 113 113 ARG HB2 H 1 1.97 0.02 . 1 . . . . 113 ARG HB2 . 6984 1 1229 . 1 1 113 113 ARG HB3 H 1 1.97 0.02 . 1 . . . . 113 ARG HB3 . 6984 1 1230 . 1 1 113 113 ARG C C 13 178.4 0.15 . 1 . . . . 113 ARG C . 6984 1 1231 . 1 1 113 113 ARG CA C 13 59.4 0.15 . 1 . . . . 113 ARG CA . 6984 1 1232 . 1 1 113 113 ARG CB C 13 30.8 0.15 . 1 . . . . 113 ARG CB . 6984 1 1233 . 1 1 113 113 ARG N N 15 118.3 0.15 . 1 . . . . 113 ARG N . 6984 1 1234 . 1 1 114 114 ILE H H 1 7.92 0.02 . 1 . . . . 114 ILE H . 6984 1 1235 . 1 1 114 114 ILE HA H 1 3.90 0.02 . 1 . . . . 114 ILE HA . 6984 1 1236 . 1 1 114 114 ILE HB H 1 1.65 0.02 . 1 . . . . 114 ILE HB . 6984 1 1237 . 1 1 114 114 ILE HG12 H 1 1.11 0.02 . 2 . . . . 114 ILE HG12 . 6984 1 1238 . 1 1 114 114 ILE HG13 H 1 1.06 0.02 . 2 . . . . 114 ILE HG13 . 6984 1 1239 . 1 1 114 114 ILE HG21 H 1 0.87 0.02 . 1 . . . . 114 ILE HG2 . 6984 1 1240 . 1 1 114 114 ILE HG22 H 1 0.87 0.02 . 1 . . . . 114 ILE HG2 . 6984 1 1241 . 1 1 114 114 ILE HG23 H 1 0.87 0.02 . 1 . . . . 114 ILE HG2 . 6984 1 1242 . 1 1 114 114 ILE HD11 H 1 0.78 0.02 . 1 . . . . 114 ILE HD1 . 6984 1 1243 . 1 1 114 114 ILE HD12 H 1 0.78 0.02 . 1 . . . . 114 ILE HD1 . 6984 1 1244 . 1 1 114 114 ILE HD13 H 1 0.78 0.02 . 1 . . . . 114 ILE HD1 . 6984 1 1245 . 1 1 114 114 ILE C C 13 177.7 0.15 . 1 . . . . 114 ILE C . 6984 1 1246 . 1 1 114 114 ILE CA C 13 63.9 0.15 . 1 . . . . 114 ILE CA . 6984 1 1247 . 1 1 114 114 ILE CB C 13 39.2 0.15 . 1 . . . . 114 ILE CB . 6984 1 1248 . 1 1 114 114 ILE CG1 C 13 28.6 0.15 . 1 . . . . 114 ILE CG1 . 6984 1 1249 . 1 1 114 114 ILE CG2 C 13 17.9 0.15 . 1 . . . . 114 ILE CG2 . 6984 1 1250 . 1 1 114 114 ILE CD1 C 13 14.0 0.15 . 1 . . . . 114 ILE CD1 . 6984 1 1251 . 1 1 114 114 ILE N N 15 117.5 0.15 . 1 . . . . 114 ILE N . 6984 1 1252 . 1 1 115 115 LEU H H 1 7.62 0.02 . 1 . . . . 115 LEU H . 6984 1 1253 . 1 1 115 115 LEU HA H 1 4.04 0.02 . 1 . . . . 115 LEU HA . 6984 1 1254 . 1 1 115 115 LEU HB2 H 1 1.16 0.02 . 2 . . . . 115 LEU HB2 . 6984 1 1255 . 1 1 115 115 LEU HB3 H 1 1.20 0.02 . 2 . . . . 115 LEU HB3 . 6984 1 1256 . 1 1 115 115 LEU HG H 1 1.32 0.02 . 1 . . . . 115 LEU HG . 6984 1 1257 . 1 1 115 115 LEU HD11 H 1 0.58 0.02 . 2 . . . . 115 LEU HD1 . 6984 1 1258 . 1 1 115 115 LEU HD12 H 1 0.58 0.02 . 2 . . . . 115 LEU HD1 . 6984 1 1259 . 1 1 115 115 LEU HD13 H 1 0.58 0.02 . 2 . . . . 115 LEU HD1 . 6984 1 1260 . 1 1 115 115 LEU HD21 H 1 0.55 0.02 . 2 . . . . 115 LEU HD2 . 6984 1 1261 . 1 1 115 115 LEU HD22 H 1 0.55 0.02 . 2 . . . . 115 LEU HD2 . 6984 1 1262 . 1 1 115 115 LEU HD23 H 1 0.55 0.02 . 2 . . . . 115 LEU HD2 . 6984 1 1263 . 1 1 115 115 LEU C C 13 178.9 0.15 . 1 . . . . 115 LEU C . 6984 1 1264 . 1 1 115 115 LEU CA C 13 56.8 0.15 . 1 . . . . 115 LEU CA . 6984 1 1265 . 1 1 115 115 LEU CB C 13 41.7 0.15 . 1 . . . . 115 LEU CB . 6984 1 1266 . 1 1 115 115 LEU CG C 13 27.5 0.15 . 1 . . . . 115 LEU CG . 6984 1 1267 . 1 1 115 115 LEU CD1 C 13 23.4 0.15 . 1 . . . . 115 LEU CD1 . 6984 1 1268 . 1 1 115 115 LEU CD2 C 13 24.7 0.15 . 1 . . . . 115 LEU CD2 . 6984 1 1269 . 1 1 115 115 LEU N N 15 118.4 0.15 . 1 . . . . 115 LEU N . 6984 1 1270 . 1 1 116 116 MET H H 1 7.70 0.02 . 1 . . . . 116 MET H . 6984 1 1271 . 1 1 116 116 MET HA H 1 4.21 0.02 . 1 . . . . 116 MET HA . 6984 1 1272 . 1 1 116 116 MET HB2 H 1 2.27 0.02 . 2 . . . . 116 MET HB2 . 6984 1 1273 . 1 1 116 116 MET HB3 H 1 2.05 0.02 . 2 . . . . 116 MET HB3 . 6984 1 1274 . 1 1 116 116 MET C C 13 177.6 0.15 . 1 . . . . 116 MET C . 6984 1 1275 . 1 1 116 116 MET CA C 13 57.4 0.15 . 1 . . . . 116 MET CA . 6984 1 1276 . 1 1 116 116 MET CB C 13 32.9 0.15 . 1 . . . . 116 MET CB . 6984 1 1277 . 1 1 116 116 MET N N 15 117.8 0.15 . 1 . . . . 116 MET N . 6984 1 1278 . 1 1 117 117 GLY H H 1 7.85 0.02 . 1 . . . . 117 GLY H . 6984 1 1279 . 1 1 117 117 GLY HA2 H 1 3.96 0.02 . 2 . . . . 117 GLY HA2 . 6984 1 1280 . 1 1 117 117 GLY HA3 H 1 3.92 0.02 . 2 . . . . 117 GLY HA3 . 6984 1 1281 . 1 1 117 117 GLY C C 13 175.4 0.15 . 1 . . . . 117 GLY C . 6984 1 1282 . 1 1 117 117 GLY CA C 13 46.5 0.15 . 1 . . . . 117 GLY CA . 6984 1 1283 . 1 1 117 117 GLY N N 15 107.0 0.15 . 1 . . . . 117 GLY N . 6984 1 1284 . 1 1 118 118 SER H H 1 7.94 0.02 . 1 . . . . 118 SER H . 6984 1 1285 . 1 1 118 118 SER HA H 1 4.38 0.02 . 1 . . . . 118 SER HA . 6984 1 1286 . 1 1 118 118 SER HB2 H 1 4.21 0.02 . 2 . . . . 118 SER HB2 . 6984 1 1287 . 1 1 118 118 SER HB3 H 1 4.02 0.02 . 2 . . . . 118 SER HB3 . 6984 1 1288 . 1 1 118 118 SER C C 13 176.1 0.15 . 1 . . . . 118 SER C . 6984 1 1289 . 1 1 118 118 SER CA C 13 59.9 0.15 . 1 . . . . 118 SER CA . 6984 1 1290 . 1 1 118 118 SER CB C 13 63.5 0.15 . 1 . . . . 118 SER CB . 6984 1 1291 . 1 1 118 118 SER N N 15 115.5 0.15 . 1 . . . . 118 SER N . 6984 1 1292 . 1 1 119 119 THR H H 1 7.98 0.02 . 1 . . . . 119 THR H . 6984 1 1293 . 1 1 119 119 THR HA H 1 4.25 0.05 . 1 . . . . 119 THR HA . 6984 1 1294 . 1 1 119 119 THR HB H 1 4.21 0.03 . 1 . . . . 119 THR HB . 6984 1 1295 . 1 1 119 119 THR HG21 H 1 1.22 0.02 . 1 . . . . 119 THR HG2 . 6984 1 1296 . 1 1 119 119 THR HG22 H 1 1.22 0.02 . 1 . . . . 119 THR HG2 . 6984 1 1297 . 1 1 119 119 THR HG23 H 1 1.22 0.02 . 1 . . . . 119 THR HG2 . 6984 1 1298 . 1 1 119 119 THR C C 13 175.6 0.15 . 1 . . . . 119 THR C . 6984 1 1299 . 1 1 119 119 THR CA C 13 64.1 0.17 . 1 . . . . 119 THR CA . 6984 1 1300 . 1 1 119 119 THR CB C 13 69.2 0.15 . 1 . . . . 119 THR CB . 6984 1 1301 . 1 1 119 119 THR CG2 C 13 21.7 0.15 . 1 . . . . 119 THR CG2 . 6984 1 1302 . 1 1 119 119 THR N N 15 115.5 0.15 . 1 . . . . 119 THR N . 6984 1 1303 . 1 1 120 120 LEU H H 1 7.92 0.02 . 1 . . . . 120 LEU H . 6984 1 1304 . 1 1 120 120 LEU HA H 1 4.26 0.02 . 1 . . . . 120 LEU HA . 6984 1 1305 . 1 1 120 120 LEU HB2 H 1 1.76 0.02 . 2 . . . . 120 LEU HB2 . 6984 1 1306 . 1 1 120 120 LEU HB3 H 1 1.67 0.02 . 2 . . . . 120 LEU HB3 . 6984 1 1307 . 1 1 120 120 LEU HD11 H 1 0.96 0.03 . 2 . . . . 120 LEU HD1 . 6984 1 1308 . 1 1 120 120 LEU HD12 H 1 0.96 0.03 . 2 . . . . 120 LEU HD1 . 6984 1 1309 . 1 1 120 120 LEU HD13 H 1 0.96 0.03 . 2 . . . . 120 LEU HD1 . 6984 1 1310 . 1 1 120 120 LEU HD21 H 1 0.88 0.02 . 2 . . . . 120 LEU HD2 . 6984 1 1311 . 1 1 120 120 LEU HD22 H 1 0.88 0.02 . 2 . . . . 120 LEU HD2 . 6984 1 1312 . 1 1 120 120 LEU HD23 H 1 0.88 0.02 . 2 . . . . 120 LEU HD2 . 6984 1 1313 . 1 1 120 120 LEU C C 13 178.1 0.15 . 1 . . . . 120 LEU C . 6984 1 1314 . 1 1 120 120 LEU CA C 13 56.3 0.15 . 1 . . . . 120 LEU CA . 6984 1 1315 . 1 1 120 120 LEU CB C 13 42.0 0.15 . 1 . . . . 120 LEU CB . 6984 1 1316 . 1 1 120 120 LEU CG C 13 27.0 0.15 . 1 . . . . 120 LEU CG . 6984 1 1317 . 1 1 120 120 LEU CD1 C 13 25.0 0.15 . 1 . . . . 120 LEU CD1 . 6984 1 1318 . 1 1 120 120 LEU CD2 C 13 23.3 0.15 . 1 . . . . 120 LEU CD2 . 6984 1 1319 . 1 1 120 120 LEU N N 15 121.8 0.15 . 1 . . . . 120 LEU N . 6984 1 1320 . 1 1 121 121 ARG H H 1 7.83 0.02 . 1 . . . . 121 ARG H . 6984 1 1321 . 1 1 121 121 ARG HA H 1 4.26 0.02 . 1 . . . . 121 ARG HA . 6984 1 1322 . 1 1 121 121 ARG HB2 H 1 1.88 0.02 . 1 . . . . 121 ARG HB2 . 6984 1 1323 . 1 1 121 121 ARG HB3 H 1 1.88 0.02 . 1 . . . . 121 ARG HB3 . 6984 1 1324 . 1 1 121 121 ARG HG2 H 1 1.58 0.02 . 1 . . . . 121 ARG HG2 . 6984 1 1325 . 1 1 121 121 ARG HG3 H 1 1.58 0.02 . 1 . . . . 121 ARG HG3 . 6984 1 1326 . 1 1 121 121 ARG HD2 H 1 3.28 0.02 . 1 . . . . 121 ARG HD2 . 6984 1 1327 . 1 1 121 121 ARG HD3 H 1 3.28 0.02 . 1 . . . . 121 ARG HD3 . 6984 1 1328 . 1 1 121 121 ARG C C 13 176.9 0.15 . 1 . . . . 121 ARG C . 6984 1 1329 . 1 1 121 121 ARG CA C 13 57.0 0.15 . 1 . . . . 121 ARG CA . 6984 1 1330 . 1 1 121 121 ARG CB C 13 30.6 0.15 . 1 . . . . 121 ARG CB . 6984 1 1331 . 1 1 121 121 ARG CG C 13 27.4 0.15 . 1 . . . . 121 ARG CG . 6984 1 1332 . 1 1 121 121 ARG CD C 13 43.3 0.15 . 1 . . . . 121 ARG CD . 6984 1 1333 . 1 1 121 121 ARG N N 15 119.2 0.15 . 1 . . . . 121 ARG N . 6984 1 1334 . 1 1 122 122 LYS H H 1 7.97 0.02 . 1 . . . . 122 LYS H . 6984 1 1335 . 1 1 122 122 LYS HA H 1 4.28 0.02 . 1 . . . . 122 LYS HA . 6984 1 1336 . 1 1 122 122 LYS HB2 H 1 1.90 0.02 . 2 . . . . 122 LYS HB2 . 6984 1 1337 . 1 1 122 122 LYS HB3 H 1 1.79 0.02 . 2 . . . . 122 LYS HB3 . 6984 1 1338 . 1 1 122 122 LYS HG2 H 1 1.52 0.02 . 2 . . . . 122 LYS HG2 . 6984 1 1339 . 1 1 122 122 LYS HG3 H 1 1.45 0.02 . 2 . . . . 122 LYS HG3 . 6984 1 1340 . 1 1 122 122 LYS HD2 H 1 1.75 0.02 . 1 . . . . 122 LYS HD2 . 6984 1 1341 . 1 1 122 122 LYS HD3 H 1 1.75 0.02 . 1 . . . . 122 LYS HD3 . 6984 1 1342 . 1 1 122 122 LYS HE2 H 1 3.01 0.02 . 1 . . . . 122 LYS HE2 . 6984 1 1343 . 1 1 122 122 LYS HE3 H 1 3.01 0.02 . 1 . . . . 122 LYS HE3 . 6984 1 1344 . 1 1 122 122 LYS C C 13 176.7 0.15 . 1 . . . . 122 LYS C . 6984 1 1345 . 1 1 122 122 LYS CA C 13 56.7 0.15 . 1 . . . . 122 LYS CA . 6984 1 1346 . 1 1 122 122 LYS CB C 13 32.8 0.15 . 1 . . . . 122 LYS CB . 6984 1 1347 . 1 1 122 122 LYS CG C 13 25.0 0.15 . 1 . . . . 122 LYS CG . 6984 1 1348 . 1 1 122 122 LYS CD C 13 29.0 0.15 . 1 . . . . 122 LYS CD . 6984 1 1349 . 1 1 122 122 LYS CE C 13 42.0 0.15 . 1 . . . . 122 LYS CE . 6984 1 1350 . 1 1 122 122 LYS N N 15 120.4 0.15 . 1 . . . . 122 LYS N . 6984 1 1351 . 1 1 123 123 ARG H H 1 8.02 0.02 . 1 . . . . 123 ARG H . 6984 1 1352 . 1 1 123 123 ARG HA H 1 4.31 0.02 . 1 . . . . 123 ARG HA . 6984 1 1353 . 1 1 123 123 ARG HB2 H 1 1.89 0.05 . 2 . . . . 123 ARG HB2 . 6984 1 1354 . 1 1 123 123 ARG HB3 H 1 1.85 0.02 . 2 . . . . 123 ARG HB3 . 6984 1 1355 . 1 1 123 123 ARG HG2 H 1 1.74 0.02 . 2 . . . . 123 ARG HG2 . 6984 1 1356 . 1 1 123 123 ARG HG3 H 1 1.69 0.02 . 2 . . . . 123 ARG HG3 . 6984 1 1357 . 1 1 123 123 ARG HD2 H 1 3.26 0.02 . 1 . . . . 123 ARG HD2 . 6984 1 1358 . 1 1 123 123 ARG HD3 H 1 3.26 0.02 . 1 . . . . 123 ARG HD3 . 6984 1 1359 . 1 1 123 123 ARG C C 13 176.0 0.15 . 1 . . . . 123 ARG C . 6984 1 1360 . 1 1 123 123 ARG CA C 13 56.3 0.15 . 1 . . . . 123 ARG CA . 6984 1 1361 . 1 1 123 123 ARG CB C 13 30.7 0.15 . 1 . . . . 123 ARG CB . 6984 1 1362 . 1 1 123 123 ARG CG C 13 27.1 0.15 . 1 . . . . 123 ARG CG . 6984 1 1363 . 1 1 123 123 ARG CD C 13 43.4 0.15 . 1 . . . . 123 ARG CD . 6984 1 1364 . 1 1 123 123 ARG N N 15 120.8 0.15 . 1 . . . . 123 ARG N . 6984 1 1365 . 1 1 124 124 LYS H H 1 8.16 0.02 . 1 . . . . 124 LYS H . 6984 1 1366 . 1 1 124 124 LYS HA H 1 4.30 0.02 . 1 . . . . 124 LYS HA . 6984 1 1367 . 1 1 124 124 LYS HB2 H 1 1.94 0.02 . 2 . . . . 124 LYS HB2 . 6984 1 1368 . 1 1 124 124 LYS HB3 H 1 1.84 0.02 . 2 . . . . 124 LYS HB3 . 6984 1 1369 . 1 1 124 124 LYS HG2 H 1 1.54 0.02 . 2 . . . . 124 LYS HG2 . 6984 1 1370 . 1 1 124 124 LYS HG3 H 1 1.44 0.03 . 2 . . . . 124 LYS HG3 . 6984 1 1371 . 1 1 124 124 LYS HD2 H 1 1.91 0.02 . 2 . . . . 124 LYS HD2 . 6984 1 1372 . 1 1 124 124 LYS HD3 H 1 1.76 0.02 . 2 . . . . 124 LYS HD3 . 6984 1 1373 . 1 1 124 124 LYS HE2 H 1 3.13 0.02 . 2 . . . . 124 LYS HE2 . 6984 1 1374 . 1 1 124 124 LYS HE3 H 1 3.09 0.02 . 2 . . . . 124 LYS HE3 . 6984 1 1375 . 1 1 124 124 LYS C C 13 176.1 0.15 . 1 . . . . 124 LYS C . 6984 1 1376 . 1 1 124 124 LYS CA C 13 56.3 0.15 . 1 . . . . 124 LYS CA . 6984 1 1377 . 1 1 124 124 LYS CB C 13 32.9 0.15 . 1 . . . . 124 LYS CB . 6984 1 1378 . 1 1 124 124 LYS CG C 13 24.7 0.15 . 1 . . . . 124 LYS CG . 6984 1 1379 . 1 1 124 124 LYS CD C 13 28.9 0.15 . 1 . . . . 124 LYS CD . 6984 1 1380 . 1 1 124 124 LYS CE C 13 41.9 0.15 . 1 . . . . 124 LYS CE . 6984 1 1381 . 1 1 124 124 LYS N N 15 121.8 0.15 . 1 . . . . 124 LYS N . 6984 1 1382 . 1 1 125 125 MET H H 1 8.21 0.02 . 1 . . . . 125 MET H . 6984 1 1383 . 1 1 125 125 MET HA H 1 4.47 0.03 . 1 . . . . 125 MET HA . 6984 1 1384 . 1 1 125 125 MET HB2 H 1 2.05 0.02 . 2 . . . . 125 MET HB2 . 6984 1 1385 . 1 1 125 125 MET HB3 H 1 1.94 0.02 . 2 . . . . 125 MET HB3 . 6984 1 1386 . 1 1 125 125 MET C C 13 174.8 0.15 . 1 . . . . 125 MET C . 6984 1 1387 . 1 1 125 125 MET CA C 13 55.5 0.15 . 1 . . . . 125 MET CA . 6984 1 1388 . 1 1 125 125 MET CB C 13 33.1 0.15 . 1 . . . . 125 MET CB . 6984 1 1389 . 1 1 125 125 MET N N 15 121.5 0.15 . 1 . . . . 125 MET N . 6984 1 1390 . 1 1 126 126 TYR H H 1 7.56 0.02 . 1 . . . . 126 TYR H . 6984 1 1391 . 1 1 126 126 TYR HA H 1 4.43 0.04 . 1 . . . . 126 TYR HA . 6984 1 1392 . 1 1 126 126 TYR HB2 H 1 3.11 0.03 . 2 . . . . 126 TYR HB2 . 6984 1 1393 . 1 1 126 126 TYR HB3 H 1 2.90 0.04 . 2 . . . . 126 TYR HB3 . 6984 1 1394 . 1 1 126 126 TYR CA C 13 59.0 0.15 . 1 . . . . 126 TYR CA . 6984 1 1395 . 1 1 126 126 TYR CB C 13 39.4 0.15 . 1 . . . . 126 TYR CB . 6984 1 1396 . 1 1 126 126 TYR N N 15 124.7 0.15 . 1 . . . . 126 TYR N . 6984 1 stop_ save_