data_25984 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25984 _Entry.Title ; Solution NMR structure of palmitated SCP2L2 from Aedes aegypti ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-07 _Entry.Accession_date 2016-03-17 _Entry.Last_release_date 2016-03-17 _Entry.Original_release_date 2016-03-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kiran Singarapu . K. . . 25984 2 Ramesh Ummanni . . . . 25984 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25984 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Aedes aegypti' . 25984 Palmitate . 25984 SCP2L2 . 25984 'Solution NMR' . 25984 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25984 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 25984 '15N chemical shifts' 110 25984 '1H chemical shifts' 799 25984 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 . . 2017-03-02 . original BMRB . 25984 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25983 'Solution NMR structure of ligand free sterol carrier protein 2 like 2 from Aedes aegypti' 25984 PDB 2NBN 'BMRB Entry Tracking System' 25984 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25984 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27508310 _Citation.Full_citation . _Citation.Title ; Solution Nuclear Magnetic Resonance Studies of Sterol Carrier Protein 2 Like 2 (SCP2L2) Reveal the Insecticide Specific Structural Characteristics of SCP2 Proteins in Aedes aegypti Mosquitoes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 35 _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 4919 _Citation.Page_last 4927 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kiran Singarapu . K. . . 25984 1 2 Ashish Ahuja . . . . 25984 1 3 Purushotam Potula . R. . . 25984 1 4 Ramesh Ummanni . . . . 25984 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25984 _Assembly.ID 1 _Assembly.Name 'palmitated SCP2L2' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25984 1 2 'PALMITOLEIC ACID_1' 2 $entity_PAM B . yes native no no . . . 25984 1 3 'PALMITOLEIC ACID_2' 2 $entity_PAM C . yes native no no . . . 25984 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25984 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSVETIIERIKARVGAVDPN GPRKVLGVFQLNIKTASGVE QWIVDLKQLKVDQGVFASPD VTVTVGLEDMLAISGKTLTV GDALKQGKIELSGDADLAAK LAEVIHHHHHH ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11940.874 _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 1 MET . 25984 1 2 2 SER . 25984 1 3 3 VAL . 25984 1 4 4 GLU . 25984 1 5 5 THR . 25984 1 6 6 ILE . 25984 1 7 7 ILE . 25984 1 8 8 GLU . 25984 1 9 9 ARG . 25984 1 10 10 ILE . 25984 1 11 11 LYS . 25984 1 12 12 ALA . 25984 1 13 13 ARG . 25984 1 14 14 VAL . 25984 1 15 15 GLY . 25984 1 16 16 ALA . 25984 1 17 17 VAL . 25984 1 18 18 ASP . 25984 1 19 19 PRO . 25984 1 20 20 ASN . 25984 1 21 21 GLY . 25984 1 22 22 PRO . 25984 1 23 23 ARG . 25984 1 24 24 LYS . 25984 1 25 25 VAL . 25984 1 26 26 LEU . 25984 1 27 27 GLY . 25984 1 28 28 VAL . 25984 1 29 29 PHE . 25984 1 30 30 GLN . 25984 1 31 31 LEU . 25984 1 32 32 ASN . 25984 1 33 33 ILE . 25984 1 34 34 LYS . 25984 1 35 35 THR . 25984 1 36 36 ALA . 25984 1 37 37 SER . 25984 1 38 38 GLY . 25984 1 39 39 VAL . 25984 1 40 40 GLU . 25984 1 41 41 GLN . 25984 1 42 42 TRP . 25984 1 43 43 ILE . 25984 1 44 44 VAL . 25984 1 45 45 ASP . 25984 1 46 46 LEU . 25984 1 47 47 LYS . 25984 1 48 48 GLN . 25984 1 49 49 LEU . 25984 1 50 50 LYS . 25984 1 51 51 VAL . 25984 1 52 52 ASP . 25984 1 53 53 GLN . 25984 1 54 54 GLY . 25984 1 55 55 VAL . 25984 1 56 56 PHE . 25984 1 57 57 ALA . 25984 1 58 58 SER . 25984 1 59 59 PRO . 25984 1 60 60 ASP . 25984 1 61 61 VAL . 25984 1 62 62 THR . 25984 1 63 63 VAL . 25984 1 64 64 THR . 25984 1 65 65 VAL . 25984 1 66 66 GLY . 25984 1 67 67 LEU . 25984 1 68 68 GLU . 25984 1 69 69 ASP . 25984 1 70 70 MET . 25984 1 71 71 LEU . 25984 1 72 72 ALA . 25984 1 73 73 ILE . 25984 1 74 74 SER . 25984 1 75 75 GLY . 25984 1 76 76 LYS . 25984 1 77 77 THR . 25984 1 78 78 LEU . 25984 1 79 79 THR . 25984 1 80 80 VAL . 25984 1 81 81 GLY . 25984 1 82 82 ASP . 25984 1 83 83 ALA . 25984 1 84 84 LEU . 25984 1 85 85 LYS . 25984 1 86 86 GLN . 25984 1 87 87 GLY . 25984 1 88 88 LYS . 25984 1 89 89 ILE . 25984 1 90 90 GLU . 25984 1 91 91 LEU . 25984 1 92 92 SER . 25984 1 93 93 GLY . 25984 1 94 94 ASP . 25984 1 95 95 ALA . 25984 1 96 96 ASP . 25984 1 97 97 LEU . 25984 1 98 98 ALA . 25984 1 99 99 ALA . 25984 1 100 100 LYS . 25984 1 101 101 LEU . 25984 1 102 102 ALA . 25984 1 103 103 GLU . 25984 1 104 104 VAL . 25984 1 105 105 ILE . 25984 1 106 106 HIS . 25984 1 107 107 HIS . 25984 1 108 108 HIS . 25984 1 109 109 HIS . 25984 1 110 110 HIS . 25984 1 111 111 HIS . 25984 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 . MET 1 1 25984 1 . SER 2 2 25984 1 . VAL 3 3 25984 1 . GLU 4 4 25984 1 . THR 5 5 25984 1 . ILE 6 6 25984 1 . ILE 7 7 25984 1 . GLU 8 8 25984 1 . ARG 9 9 25984 1 . ILE 10 10 25984 1 . LYS 11 11 25984 1 . ALA 12 12 25984 1 . ARG 13 13 25984 1 . VAL 14 14 25984 1 . GLY 15 15 25984 1 . ALA 16 16 25984 1 . VAL 17 17 25984 1 . ASP 18 18 25984 1 . PRO 19 19 25984 1 . ASN 20 20 25984 1 . GLY 21 21 25984 1 . PRO 22 22 25984 1 . ARG 23 23 25984 1 . LYS 24 24 25984 1 . VAL 25 25 25984 1 . LEU 26 26 25984 1 . GLY 27 27 25984 1 . VAL 28 28 25984 1 . PHE 29 29 25984 1 . GLN 30 30 25984 1 . LEU 31 31 25984 1 . ASN 32 32 25984 1 . ILE 33 33 25984 1 . LYS 34 34 25984 1 . THR 35 35 25984 1 . ALA 36 36 25984 1 . SER 37 37 25984 1 . GLY 38 38 25984 1 . VAL 39 39 25984 1 . GLU 40 40 25984 1 . GLN 41 41 25984 1 . TRP 42 42 25984 1 . ILE 43 43 25984 1 . VAL 44 44 25984 1 . ASP 45 45 25984 1 . LEU 46 46 25984 1 . LYS 47 47 25984 1 . GLN 48 48 25984 1 . LEU 49 49 25984 1 . LYS 50 50 25984 1 . VAL 51 51 25984 1 . ASP 52 52 25984 1 . GLN 53 53 25984 1 . GLY 54 54 25984 1 . VAL 55 55 25984 1 . PHE 56 56 25984 1 . ALA 57 57 25984 1 . SER 58 58 25984 1 . PRO 59 59 25984 1 . ASP 60 60 25984 1 . VAL 61 61 25984 1 . THR 62 62 25984 1 . VAL 63 63 25984 1 . THR 64 64 25984 1 . VAL 65 65 25984 1 . GLY 66 66 25984 1 . LEU 67 67 25984 1 . GLU 68 68 25984 1 . ASP 69 69 25984 1 . MET 70 70 25984 1 . LEU 71 71 25984 1 . ALA 72 72 25984 1 . ILE 73 73 25984 1 . SER 74 74 25984 1 . GLY 75 75 25984 1 . LYS 76 76 25984 1 . THR 77 77 25984 1 . LEU 78 78 25984 1 . THR 79 79 25984 1 . VAL 80 80 25984 1 . GLY 81 81 25984 1 . ASP 82 82 25984 1 . ALA 83 83 25984 1 . LEU 84 84 25984 1 . LYS 85 85 25984 1 . GLN 86 86 25984 1 . GLY 87 87 25984 1 . LYS 88 88 25984 1 . ILE 89 89 25984 1 . GLU 90 90 25984 1 . LEU 91 91 25984 1 . SER 92 92 25984 1 . GLY 93 93 25984 1 . ASP 94 94 25984 1 . ALA 95 95 25984 1 . ASP 96 96 25984 1 . LEU 97 97 25984 1 . ALA 98 98 25984 1 . ALA 99 99 25984 1 . LYS 100 100 25984 1 . LEU 101 101 25984 1 . ALA 102 102 25984 1 . GLU 103 103 25984 1 . VAL 104 104 25984 1 . ILE 105 105 25984 1 . HIS 106 106 25984 1 . HIS 107 107 25984 1 . HIS 108 108 25984 1 . HIS 109 109 25984 1 . HIS 110 110 25984 1 . HIS 111 111 25984 1 stop_ save_ save_entity_PAM _Entity.Sf_category entity _Entity.Sf_framecode entity_PAM _Entity.Entry_ID 25984 _Entity.ID 2 _Entity.BMRB_code PAM _Entity.Name 'PALMITOLEIC ACID' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PAM _Entity.Nonpolymer_comp_label $chem_comp_PAM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 254.408 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PALMITOLEIC ACID' BMRB 25984 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PALMITOLEIC ACID' BMRB 25984 2 PAM 'Three letter code' 25984 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PAM $chem_comp_PAM 25984 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 25984 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 7159 organism . 'Aedes aegypti' mosquitos . . Eukaryota Metazoa Aedes aegypti . . . . . . . . . . . . . 25984 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 25984 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pEt29b+ . . . 25984 1 2 2 $entity_PAM . 'chemical synthesis' 'Chemical synthesis' . . . . . . . . . . . 'not applicable' . . . 25984 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PAM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PAM _Chem_comp.Entry_ID 25984 _Chem_comp.ID PAM _Chem_comp.Provenance PDB _Chem_comp.Name 'PALMITOLEIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PAM _Chem_comp.PDB_code PAM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PAM _Chem_comp.Number_atoms_all 48 _Chem_comp.Number_atoms_nh 18 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- _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 . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C16 H30 O2' _Chem_comp.Formula_weight 254.408 _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 1FAG _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 CCCCCCC=CCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 25984 PAM CCCCCCC=CCCCCCCCC(O)=O SMILES CACTVS 3.341 25984 PAM CCCCCC\C=C/CCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25984 PAM CCCCCC\C=C/CCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 25984 PAM InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- InChI InChI 1.03 25984 PAM O=C(O)CCCCCCC\C=C/CCCCCC SMILES ACDLabs 10.04 25984 PAM SECPZKHBENQXJG-FPLPWBNLSA-N InChIKey InChI 1.03 25984 PAM 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 '(9Z)-hexadec-9-enoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 25984 PAM '(Z)-hexadec-9-enoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25984 PAM 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 C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 141.304 . -34.436 . 54.466 . 0.930 -0.174 -7.309 1 . 25984 PAM O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 140.794 . -35.374 . 55.108 . 1.823 0.043 -8.288 2 . 25984 PAM O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 141.859 . -33.468 . 55.018 . -0.100 -0.755 -7.551 3 . 25984 PAM C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 141.231 . -34.453 . 52.956 . 1.214 0.306 -5.909 4 . 25984 PAM C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 141.342 . -35.844 . 52.359 . 0.045 -0.067 -4.995 5 . 25984 PAM C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 141.047 . -35.786 . 50.867 . 0.334 0.420 -3.574 6 . 25984 PAM C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 141.014 . -37.170 . 50.219 . -0.834 0.047 -2.660 7 . 25984 PAM C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 140.810 . -37.096 . 48.702 . -0.546 0.535 -1.238 8 . 25984 PAM C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 139.346 . -36.913 . 48.307 . -1.714 0.162 -0.324 9 . 25984 PAM C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 139.181 . -36.413 . 46.862 . -1.426 0.650 1.096 10 . 25984 PAM C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 139.768 . -37.316 . 45.797 . -2.577 0.282 1.997 11 . 25984 PAM C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 139.994 . -36.836 . 44.510 . -2.355 -0.377 3.107 12 . 25984 PAM C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 139.655 . -35.399 . 44.149 . -0.942 -0.631 3.563 13 . 25984 PAM C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 140.374 . -34.855 . 42.915 . -0.778 -0.153 5.006 14 . 25984 PAM C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 140.044 . -35.648 . 41.661 . 0.657 -0.411 5.469 15 . 25984 PAM C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 138.650 . -35.358 . 41.130 . 0.821 0.067 6.913 16 . 25984 PAM C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . 138.550 . -34.020 . 40.443 . 2.256 -0.190 7.376 17 . 25984 PAM C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . 137.331 . -33.908 . 39.575 . 2.420 0.287 8.820 18 . 25984 PAM HO1 HO1 HO1 HO1 . H . . N 0 . . . 1 no no . . . . 140.370 . -36.112 . 54.686 . 1.641 -0.264 -9.186 19 . 25984 PAM H21 H21 H21 1H2 . H . . N 0 . . . 1 no no . . . . 140.305 . -33.943 . 52.600 . 1.339 1.389 -5.915 20 . 25984 PAM H22 H22 H22 2H2 . H . . N 0 . . . 1 no no . . . . 141.997 . -33.772 . 52.516 . 2.127 -0.162 -5.542 21 . 25984 PAM H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . 142.329 . -36.316 . 52.574 . -0.079 -1.149 -4.989 22 . 25984 PAM H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . 140.693 . -36.580 . 52.887 . -0.866 0.402 -5.362 23 . 25984 PAM H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . 140.102 . -35.227 . 50.667 . 0.459 1.503 -3.580 24 . 25984 PAM H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . 141.767 . -35.115 . 50.342 . 1.247 -0.048 -3.207 25 . 25984 PAM H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . 141.927 . -37.756 . 50.474 . -0.959 -1.035 -2.654 26 . 25984 PAM H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . 140.245 . -37.820 . 50.697 . -1.747 0.516 -3.027 27 . 25984 PAM H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 141.446 . -36.298 . 48.252 . -0.421 1.618 -1.244 28 . 25984 PAM H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 141.250 . -37.986 . 48.196 . 0.366 0.066 -0.871 29 . 25984 PAM H71 H71 H71 1H7 . H . . N 0 . . . 1 no no . . . . 138.765 . -37.850 . 48.475 . -1.839 -0.920 -0.318 30 . 25984 PAM H72 H72 H72 2H7 . H . . N 0 . . . 1 no no . . . . 138.818 . -36.243 . 49.025 . -2.627 0.631 -0.691 31 . 25984 PAM H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . 138.105 . -36.212 . 46.645 . -1.301 1.732 1.090 32 . 25984 PAM H82 H82 H82 2H8 . H . . N 0 . . . 1 no no . . . . 139.595 . -35.382 . 46.762 . -0.513 0.180 1.463 33 . 25984 PAM H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 140.043 . -38.370 . 45.966 . -3.584 0.562 1.727 34 . 25984 PAM H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 140.424 . -37.565 . 43.803 . -3.186 -0.739 3.695 35 . 25984 PAM H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 138.552 . -35.281 . 44.034 . -0.249 -0.089 2.919 36 . 25984 PAM H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . 139.832 . -34.730 . 45.023 . -0.729 -1.699 3.507 37 . 25984 PAM H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . 140.164 . -33.769 . 42.772 . -1.470 -0.695 5.650 38 . 25984 PAM H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . 141.475 . -34.802 . 43.080 . -0.991 0.914 5.062 39 . 25984 PAM H131 H131 H131 1H13 . H . . N 0 . . . 0 no no . . . . 140.814 . -35.484 . 40.871 . 1.349 0.131 4.826 40 . 25984 PAM H132 H132 H132 2H13 . H . . N 0 . . . 0 no no . . . . 140.187 . -36.740 . 41.830 . 0.870 -1.478 5.414 41 . 25984 PAM H141 H141 H141 1H14 . H . . N 0 . . . 0 no no . . . . 138.300 . -36.177 . 40.459 . 0.128 -0.475 7.557 42 . 25984 PAM H142 H142 H142 2H14 . H . . N 0 . . . 0 no no . . . . 137.888 . -35.448 . 41.939 . 0.608 1.134 6.968 43 . 25984 PAM H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . 138.594 . -33.185 . 41.181 . 2.949 0.351 6.733 44 . 25984 PAM H152 H152 H152 2H15 . H . . N 0 . . . 0 no no . . . . 139.476 . -33.796 . 39.864 . 2.469 -1.258 7.321 45 . 25984 PAM H161 H161 H161 1H16 . H . . N 0 . . . 0 no no . . . . 137.257 . -32.918 . 39.066 . 3.443 0.103 9.150 46 . 25984 PAM H162 H162 H162 2H16 . H . . N 0 . . . 0 no no . . . . 137.286 . -34.742 . 38.836 . 2.207 1.355 8.875 47 . 25984 PAM H163 H163 H163 3H16 . H . . N 0 . . . 0 no no . . . . 136.404 . -34.131 . 40.154 . 1.728 -0.254 9.464 48 . 25984 PAM 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 . SING C1 O1 no N 1 . 25984 PAM 2 . DOUB C1 O2 no N 2 . 25984 PAM 3 . SING C1 C2 no N 3 . 25984 PAM 4 . SING O1 HO1 no N 4 . 25984 PAM 5 . SING C2 C3 no N 5 . 25984 PAM 6 . SING C2 H21 no N 6 . 25984 PAM 7 . SING C2 H22 no N 7 . 25984 PAM 8 . SING C3 C4 no N 8 . 25984 PAM 9 . SING C3 H31 no N 9 . 25984 PAM 10 . SING C3 H32 no N 10 . 25984 PAM 11 . SING C4 C5 no N 11 . 25984 PAM 12 . SING C4 H41 no N 12 . 25984 PAM 13 . SING C4 H42 no N 13 . 25984 PAM 14 . SING C5 C6 no N 14 . 25984 PAM 15 . SING C5 H51 no N 15 . 25984 PAM 16 . SING C5 H52 no N 16 . 25984 PAM 17 . SING C6 C7 no N 17 . 25984 PAM 18 . SING C6 H61 no N 18 . 25984 PAM 19 . SING C6 H62 no N 19 . 25984 PAM 20 . SING C7 C8 no N 20 . 25984 PAM 21 . SING C7 H71 no N 21 . 25984 PAM 22 . SING C7 H72 no N 22 . 25984 PAM 23 . SING C8 C9 no N 23 . 25984 PAM 24 . SING C8 H81 no N 24 . 25984 PAM 25 . SING C8 H82 no N 25 . 25984 PAM 26 . DOUB C9 C10 no Z 26 . 25984 PAM 27 . SING C9 H9 no N 27 . 25984 PAM 28 . SING C10 C11 no N 28 . 25984 PAM 29 . SING C10 H10 no N 29 . 25984 PAM 30 . SING C11 C12 no N 30 . 25984 PAM 31 . SING C11 H111 no N 31 . 25984 PAM 32 . SING C11 H112 no N 32 . 25984 PAM 33 . SING C12 C13 no N 33 . 25984 PAM 34 . SING C12 H121 no N 34 . 25984 PAM 35 . SING C12 H122 no N 35 . 25984 PAM 36 . SING C13 C14 no N 36 . 25984 PAM 37 . SING C13 H131 no N 37 . 25984 PAM 38 . SING C13 H132 no N 38 . 25984 PAM 39 . SING C14 C15 no N 39 . 25984 PAM 40 . SING C14 H141 no N 40 . 25984 PAM 41 . SING C14 H142 no N 41 . 25984 PAM 42 . SING C15 C16 no N 42 . 25984 PAM 43 . SING C15 H151 no N 43 . 25984 PAM 44 . SING C15 H152 no N 44 . 25984 PAM 45 . SING C16 H161 no N 45 . 25984 PAM 46 . SING C16 H162 no N 46 . 25984 PAM 47 . SING C16 H163 no N 47 . 25984 PAM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25984 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 25984 1 2 'PALMITOLEIC ACID' 'natural abundance' . . 2 $entity_PAM . . 2.0 . . mM . . . . 25984 1 3 H2O 'natural abundance' . . . . . solvent 93 . . % . . . . 25984 1 4 D2O [U-2H] . . . . . solvent 7 . . % . . . . 25984 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25984 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 25984 2 2 'PALMITOLEIC ACID' 'natural abundance' . . 2 $entity_PAM . . 2.0 . . mM . . . . 25984 2 3 H2O 'natural abundance' . . . . . solvent 93 . . % . . . . 25984 2 4 D2O [U-2H] . . . . . solvent 7 . . % . . . . 25984 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25984 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 25984 1 pH 7.0 . pH 25984 1 pressure 1 . atm 25984 1 temperature 298 . K 25984 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25984 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25984 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25984 1 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25984 _Software.ID 2 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 25984 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25984 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25984 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25984 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25984 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 25984 _Software.ID 4 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 25984 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25984 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 25984 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 25984 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25984 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25984 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25984 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25984 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25984 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25984 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25984 7 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 25984 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25984 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25984 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25984 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25984 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25984 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25984 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25984 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25984 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25984 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25984 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25984 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25984 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25984 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25984 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25984 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25984 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25984 1 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 25984 1 3 '3D CBCA(CO)NH' 2 $sample_2 isotropic 25984 1 4 '3D HNCACB' 2 $sample_2 isotropic 25984 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 2 2 SER H H 1 8.328 0.014 . . . . . A 2 SER H . 25984 1 2 . 1 1 2 2 SER HA H 1 4.477 0.006 . . . . . A 2 SER HA . 25984 1 3 . 1 1 2 2 SER HB2 H 1 3.698 0.006 . . . . . A 2 SER HB2 . 25984 1 4 . 1 1 2 2 SER HB3 H 1 3.970 0.006 . . . . . A 2 SER HB3 . 25984 1 5 . 1 1 2 2 SER CA C 13 56.660 0.000 . . . . . A 2 SER CA . 25984 1 6 . 1 1 2 2 SER CB C 13 65.643 0.004 . . . . . A 2 SER CB . 25984 1 7 . 1 1 2 2 SER N N 15 116.300 0.000 . . . . . A 2 SER N . 25984 1 8 . 1 1 3 3 VAL H H 1 8.757 0.012 . . . . . A 3 VAL H . 25984 1 9 . 1 1 3 3 VAL HA H 1 3.291 0.005 . . . . . A 3 VAL HA . 25984 1 10 . 1 1 3 3 VAL HB H 1 1.882 0.001 . . . . . A 3 VAL HB . 25984 1 11 . 1 1 3 3 VAL HG11 H 1 0.654 0.010 . . . . . A 3 VAL HG11 . 25984 1 12 . 1 1 3 3 VAL HG12 H 1 0.654 0.010 . . . . . A 3 VAL HG12 . 25984 1 13 . 1 1 3 3 VAL HG13 H 1 0.654 0.010 . . . . . A 3 VAL HG13 . 25984 1 14 . 1 1 3 3 VAL HG21 H 1 0.817 0.005 . . . . . A 3 VAL HG21 . 25984 1 15 . 1 1 3 3 VAL HG22 H 1 0.817 0.005 . . . . . A 3 VAL HG22 . 25984 1 16 . 1 1 3 3 VAL HG23 H 1 0.817 0.005 . . . . . A 3 VAL HG23 . 25984 1 17 . 1 1 3 3 VAL CA C 13 66.047 0.000 . . . . . A 3 VAL CA . 25984 1 18 . 1 1 3 3 VAL CB C 13 31.548 0.000 . . . . . A 3 VAL CB . 25984 1 19 . 1 1 3 3 VAL CG1 C 13 21.281 0.032 . . . . . A 3 VAL CG1 . 25984 1 20 . 1 1 3 3 VAL CG2 C 13 23.535 0.064 . . . . . A 3 VAL CG2 . 25984 1 21 . 1 1 3 3 VAL N N 15 121.443 0.000 . . . . . A 3 VAL N . 25984 1 22 . 1 1 4 4 GLU H H 1 8.340 0.015 . . . . . A 4 GLU H . 25984 1 23 . 1 1 4 4 GLU HA H 1 3.554 0.002 . . . . . A 4 GLU HA . 25984 1 24 . 1 1 4 4 GLU HB2 H 1 1.734 0.003 . . . . . A 4 GLU HB2 . 25984 1 25 . 1 1 4 4 GLU HB3 H 1 1.826 0.006 . . . . . A 4 GLU HB3 . 25984 1 26 . 1 1 4 4 GLU HG2 H 1 2.084 0.010 . . . . . A 4 GLU HG2 . 25984 1 27 . 1 1 4 4 GLU HG3 H 1 2.132 0.007 . . . . . A 4 GLU HG3 . 25984 1 28 . 1 1 4 4 GLU CA C 13 60.123 0.000 . . . . . A 4 GLU CA . 25984 1 29 . 1 1 4 4 GLU CB C 13 28.921 0.003 . . . . . A 4 GLU CB . 25984 1 30 . 1 1 4 4 GLU CG C 13 36.750 0.028 . . . . . A 4 GLU CG . 25984 1 31 . 1 1 4 4 GLU N N 15 118.560 0.000 . . . . . A 4 GLU N . 25984 1 32 . 1 1 5 5 THR H H 1 7.501 0.007 . . . . . A 5 THR H . 25984 1 33 . 1 1 5 5 THR HA H 1 3.711 0.005 . . . . . A 5 THR HA . 25984 1 34 . 1 1 5 5 THR HB H 1 3.972 0.012 . . . . . A 5 THR HB . 25984 1 35 . 1 1 5 5 THR HG21 H 1 0.977 0.017 . . . . . A 5 THR HG21 . 25984 1 36 . 1 1 5 5 THR HG22 H 1 0.977 0.017 . . . . . A 5 THR HG22 . 25984 1 37 . 1 1 5 5 THR HG23 H 1 0.977 0.017 . . . . . A 5 THR HG23 . 25984 1 38 . 1 1 5 5 THR CA C 13 65.629 0.000 . . . . . A 5 THR CA . 25984 1 39 . 1 1 5 5 THR CB C 13 68.419 0.000 . . . . . A 5 THR CB . 25984 1 40 . 1 1 5 5 THR CG2 C 13 21.617 0.000 . . . . . A 5 THR CG2 . 25984 1 41 . 1 1 5 5 THR N N 15 112.621 0.014 . . . . . A 5 THR N . 25984 1 42 . 1 1 6 6 ILE H H 1 7.258 0.002 . . . . . A 6 ILE H . 25984 1 43 . 1 1 6 6 ILE HA H 1 3.604 0.002 . . . . . A 6 ILE HA . 25984 1 44 . 1 1 6 6 ILE HB H 1 1.642 0.004 . . . . . A 6 ILE HB . 25984 1 45 . 1 1 6 6 ILE HG12 H 1 1.188 0.006 . . . . . A 6 ILE HG12 . 25984 1 46 . 1 1 6 6 ILE HG13 H 1 1.072 0.005 . . . . . A 6 ILE HG13 . 25984 1 47 . 1 1 6 6 ILE HG21 H 1 0.598 0.000 . . . . . A 6 ILE HG21 . 25984 1 48 . 1 1 6 6 ILE HG22 H 1 0.598 0.000 . . . . . A 6 ILE HG22 . 25984 1 49 . 1 1 6 6 ILE HG23 H 1 0.598 0.000 . . . . . A 6 ILE HG23 . 25984 1 50 . 1 1 6 6 ILE HD11 H 1 0.559 0.006 . . . . . A 6 ILE HD11 . 25984 1 51 . 1 1 6 6 ILE HD12 H 1 0.559 0.006 . . . . . A 6 ILE HD12 . 25984 1 52 . 1 1 6 6 ILE HD13 H 1 0.559 0.006 . . . . . A 6 ILE HD13 . 25984 1 53 . 1 1 6 6 ILE CA C 13 62.555 0.000 . . . . . A 6 ILE CA . 25984 1 54 . 1 1 6 6 ILE CB C 13 37.347 0.150 . . . . . A 6 ILE CB . 25984 1 55 . 1 1 6 6 ILE CG1 C 13 28.618 0.000 . . . . . A 6 ILE CG1 . 25984 1 56 . 1 1 6 6 ILE CG2 C 13 17.573 0.042 . . . . . A 6 ILE CG2 . 25984 1 57 . 1 1 6 6 ILE CD1 C 13 12.488 0.000 . . . . . A 6 ILE CD1 . 25984 1 58 . 1 1 6 6 ILE N N 15 121.420 0.000 . . . . . A 6 ILE N . 25984 1 59 . 1 1 7 7 ILE H H 1 8.076 0.010 . . . . . A 7 ILE H . 25984 1 60 . 1 1 7 7 ILE HA H 1 3.106 0.011 . . . . . A 7 ILE HA . 25984 1 61 . 1 1 7 7 ILE HB H 1 1.374 0.006 . . . . . A 7 ILE HB . 25984 1 62 . 1 1 7 7 ILE HG12 H 1 0.591 0.289 . . . . . A 7 ILE HG12 . 25984 1 63 . 1 1 7 7 ILE HG13 H 1 -0.518 0.000 . . . . . A 7 ILE HG13 . 25984 1 64 . 1 1 7 7 ILE HG21 H 1 -0.243 0.009 . . . . . A 7 ILE HG21 . 25984 1 65 . 1 1 7 7 ILE HG22 H 1 -0.243 0.009 . . . . . A 7 ILE HG22 . 25984 1 66 . 1 1 7 7 ILE HG23 H 1 -0.243 0.009 . . . . . A 7 ILE HG23 . 25984 1 67 . 1 1 7 7 ILE HD11 H 1 -0.696 0.008 . . . . . A 7 ILE HD11 . 25984 1 68 . 1 1 7 7 ILE HD12 H 1 -0.696 0.008 . . . . . A 7 ILE HD12 . 25984 1 69 . 1 1 7 7 ILE HD13 H 1 -0.696 0.008 . . . . . A 7 ILE HD13 . 25984 1 70 . 1 1 7 7 ILE CA C 13 61.408 0.000 . . . . . A 7 ILE CA . 25984 1 71 . 1 1 7 7 ILE CB C 13 33.763 0.000 . . . . . A 7 ILE CB . 25984 1 72 . 1 1 7 7 ILE CG1 C 13 25.700 0.000 . . . . . A 7 ILE CG1 . 25984 1 73 . 1 1 7 7 ILE CG2 C 13 16.452 0.000 . . . . . A 7 ILE CG2 . 25984 1 74 . 1 1 7 7 ILE CD1 C 13 6.656 0.000 . . . . . A 7 ILE CD1 . 25984 1 75 . 1 1 7 7 ILE N N 15 120.813 0.000 . . . . . A 7 ILE N . 25984 1 76 . 1 1 8 8 GLU H H 1 7.922 0.006 . . . . . A 8 GLU H . 25984 1 77 . 1 1 8 8 GLU HA H 1 3.641 0.002 . . . . . A 8 GLU HA . 25984 1 78 . 1 1 8 8 GLU HB2 H 1 1.843 0.008 . . . . . A 8 GLU HB2 . 25984 1 79 . 1 1 8 8 GLU HB3 H 1 1.887 0.007 . . . . . A 8 GLU HB3 . 25984 1 80 . 1 1 8 8 GLU HG2 H 1 2.059 0.010 . . . . . A 8 GLU HG2 . 25984 1 81 . 1 1 8 8 GLU HG3 H 1 2.134 0.010 . . . . . A 8 GLU HG3 . 25984 1 82 . 1 1 8 8 GLU CA C 13 59.740 0.000 . . . . . A 8 GLU CA . 25984 1 83 . 1 1 8 8 GLU CB C 13 28.848 0.022 . . . . . A 8 GLU CB . 25984 1 84 . 1 1 8 8 GLU CG C 13 35.992 0.160 . . . . . A 8 GLU CG . 25984 1 85 . 1 1 8 8 GLU N N 15 119.361 0.000 . . . . . A 8 GLU N . 25984 1 86 . 1 1 9 9 ARG H H 1 7.346 0.008 . . . . . A 9 ARG H . 25984 1 87 . 1 1 9 9 ARG HA H 1 3.855 0.004 . . . . . A 9 ARG HA . 25984 1 88 . 1 1 9 9 ARG HB2 H 1 1.781 0.003 . . . . . A 9 ARG HB2 . 25984 1 89 . 1 1 9 9 ARG HB3 H 1 1.720 0.005 . . . . . A 9 ARG HB3 . 25984 1 90 . 1 1 9 9 ARG HG2 H 1 1.480 0.007 . . . . . A 9 ARG HG2 . 25984 1 91 . 1 1 9 9 ARG HG3 H 1 1.454 0.006 . . . . . A 9 ARG HG3 . 25984 1 92 . 1 1 9 9 ARG HD2 H 1 2.849 0.007 . . . . . A 9 ARG HD2 . 25984 1 93 . 1 1 9 9 ARG HD3 H 1 2.862 0.003 . . . . . A 9 ARG HD3 . 25984 1 94 . 1 1 9 9 ARG CA C 13 59.025 0.167 . . . . . A 9 ARG CA . 25984 1 95 . 1 1 9 9 ARG CB C 13 29.516 0.023 . . . . . A 9 ARG CB . 25984 1 96 . 1 1 9 9 ARG CG C 13 26.896 0.061 . . . . . A 9 ARG CG . 25984 1 97 . 1 1 9 9 ARG CD C 13 43.022 0.000 . . . . . A 9 ARG CD . 25984 1 98 . 1 1 9 9 ARG N N 15 119.203 0.000 . . . . . A 9 ARG N . 25984 1 99 . 1 1 10 10 ILE H H 1 7.991 0.006 . . . . . A 10 ILE H . 25984 1 100 . 1 1 10 10 ILE HA H 1 3.135 0.001 . . . . . A 10 ILE HA . 25984 1 101 . 1 1 10 10 ILE HB H 1 1.627 0.008 . . . . . A 10 ILE HB . 25984 1 102 . 1 1 10 10 ILE HG12 H 1 0.952 0.000 . . . . . A 10 ILE HG12 . 25984 1 103 . 1 1 10 10 ILE HG13 H 1 0.905 0.004 . . . . . A 10 ILE HG13 . 25984 1 104 . 1 1 10 10 ILE HG21 H 1 0.499 0.001 . . . . . A 10 ILE HG21 . 25984 1 105 . 1 1 10 10 ILE HG22 H 1 0.499 0.001 . . . . . A 10 ILE HG22 . 25984 1 106 . 1 1 10 10 ILE HG23 H 1 0.499 0.001 . . . . . A 10 ILE HG23 . 25984 1 107 . 1 1 10 10 ILE HD11 H 1 0.289 0.002 . . . . . A 10 ILE HD11 . 25984 1 108 . 1 1 10 10 ILE HD12 H 1 0.289 0.002 . . . . . A 10 ILE HD12 . 25984 1 109 . 1 1 10 10 ILE HD13 H 1 0.289 0.002 . . . . . A 10 ILE HD13 . 25984 1 110 . 1 1 10 10 ILE CA C 13 66.617 0.000 . . . . . A 10 ILE CA . 25984 1 111 . 1 1 10 10 ILE CB C 13 37.558 0.000 . . . . . A 10 ILE CB . 25984 1 112 . 1 1 10 10 ILE CG1 C 13 31.531 0.000 . . . . . A 10 ILE CG1 . 25984 1 113 . 1 1 10 10 ILE CG2 C 13 16.793 0.000 . . . . . A 10 ILE CG2 . 25984 1 114 . 1 1 10 10 ILE CD1 C 13 13.392 0.000 . . . . . A 10 ILE CD1 . 25984 1 115 . 1 1 10 10 ILE N N 15 120.381 0.000 . . . . . A 10 ILE N . 25984 1 116 . 1 1 11 11 LYS H H 1 8.791 0.020 . . . . . A 11 LYS H . 25984 1 117 . 1 1 11 11 LYS HA H 1 3.430 0.008 . . . . . A 11 LYS HA . 25984 1 118 . 1 1 11 11 LYS HB2 H 1 1.607 0.005 . . . . . A 11 LYS HB2 . 25984 1 119 . 1 1 11 11 LYS HB3 H 1 1.602 0.000 . . . . . A 11 LYS HB3 . 25984 1 120 . 1 1 11 11 LYS HG2 H 1 1.303 0.002 . . . . . A 11 LYS HG2 . 25984 1 121 . 1 1 11 11 LYS HG3 H 1 1.062 0.001 . . . . . A 11 LYS HG3 . 25984 1 122 . 1 1 11 11 LYS HD2 H 1 1.385 0.006 . . . . . A 11 LYS HD2 . 25984 1 123 . 1 1 11 11 LYS HD3 H 1 1.408 0.013 . . . . . A 11 LYS HD3 . 25984 1 124 . 1 1 11 11 LYS HE2 H 1 2.776 0.000 . . . . . A 11 LYS HE2 . 25984 1 125 . 1 1 11 11 LYS HE3 H 1 2.778 0.013 . . . . . A 11 LYS HE3 . 25984 1 126 . 1 1 11 11 LYS CA C 13 60.713 0.000 . . . . . A 11 LYS CA . 25984 1 127 . 1 1 11 11 LYS CB C 13 32.634 0.017 . . . . . A 11 LYS CB . 25984 1 128 . 1 1 11 11 LYS CG C 13 26.700 0.033 . . . . . A 11 LYS CG . 25984 1 129 . 1 1 11 11 LYS CD C 13 28.744 0.137 . . . . . A 11 LYS CD . 25984 1 130 . 1 1 11 11 LYS CE C 13 41.665 0.121 . . . . . A 11 LYS CE . 25984 1 131 . 1 1 11 11 LYS N N 15 118.637 0.000 . . . . . A 11 LYS N . 25984 1 132 . 1 1 12 12 ALA H H 1 7.793 0.005 . . . . . A 12 ALA H . 25984 1 133 . 1 1 12 12 ALA HA H 1 3.889 0.007 . . . . . A 12 ALA HA . 25984 1 134 . 1 1 12 12 ALA HB1 H 1 1.260 0.008 . . . . . A 12 ALA HB1 . 25984 1 135 . 1 1 12 12 ALA HB2 H 1 1.260 0.008 . . . . . A 12 ALA HB2 . 25984 1 136 . 1 1 12 12 ALA HB3 H 1 1.260 0.008 . . . . . A 12 ALA HB3 . 25984 1 137 . 1 1 12 12 ALA CA C 13 54.569 0.000 . . . . . A 12 ALA CA . 25984 1 138 . 1 1 12 12 ALA CB C 13 17.999 0.235 . . . . . A 12 ALA CB . 25984 1 139 . 1 1 12 12 ALA N N 15 121.480 0.000 . . . . . A 12 ALA N . 25984 1 140 . 1 1 13 13 ARG H H 1 7.488 0.010 . . . . . A 13 ARG H . 25984 1 141 . 1 1 13 13 ARG HA H 1 3.878 0.007 . . . . . A 13 ARG HA . 25984 1 142 . 1 1 13 13 ARG HB2 H 1 1.776 0.012 . . . . . A 13 ARG HB2 . 25984 1 143 . 1 1 13 13 ARG HB3 H 1 1.651 0.013 . . . . . A 13 ARG HB3 . 25984 1 144 . 1 1 13 13 ARG HG2 H 1 1.641 0.006 . . . . . A 13 ARG HG2 . 25984 1 145 . 1 1 13 13 ARG HG3 H 1 1.465 0.013 . . . . . A 13 ARG HG3 . 25984 1 146 . 1 1 13 13 ARG HD2 H 1 2.868 0.011 . . . . . A 13 ARG HD2 . 25984 1 147 . 1 1 13 13 ARG HD3 H 1 2.860 0.002 . . . . . A 13 ARG HD3 . 25984 1 148 . 1 1 13 13 ARG CA C 13 57.598 0.015 . . . . . A 13 ARG CA . 25984 1 149 . 1 1 13 13 ARG CB C 13 29.492 0.162 . . . . . A 13 ARG CB . 25984 1 150 . 1 1 13 13 ARG CG C 13 26.946 0.071 . . . . . A 13 ARG CG . 25984 1 151 . 1 1 13 13 ARG CD C 13 43.022 0.000 . . . . . A 13 ARG CD . 25984 1 152 . 1 1 13 13 ARG N N 15 117.725 0.000 . . . . . A 13 ARG N . 25984 1 153 . 1 1 14 14 VAL H H 1 8.305 0.018 . . . . . A 14 VAL H . 25984 1 154 . 1 1 14 14 VAL HA H 1 3.185 0.006 . . . . . A 14 VAL HA . 25984 1 155 . 1 1 14 14 VAL HB H 1 1.681 0.004 . . . . . A 14 VAL HB . 25984 1 156 . 1 1 14 14 VAL HG11 H 1 0.532 0.005 . . . . . A 14 VAL HG11 . 25984 1 157 . 1 1 14 14 VAL HG12 H 1 0.532 0.005 . . . . . A 14 VAL HG12 . 25984 1 158 . 1 1 14 14 VAL HG13 H 1 0.532 0.005 . . . . . A 14 VAL HG13 . 25984 1 159 . 1 1 14 14 VAL HG21 H 1 0.428 0.008 . . . . . A 14 VAL HG21 . 25984 1 160 . 1 1 14 14 VAL HG22 H 1 0.428 0.008 . . . . . A 14 VAL HG22 . 25984 1 161 . 1 1 14 14 VAL HG23 H 1 0.428 0.008 . . . . . A 14 VAL HG23 . 25984 1 162 . 1 1 14 14 VAL CA C 13 66.620 0.011 . . . . . A 14 VAL CA . 25984 1 163 . 1 1 14 14 VAL CB C 13 31.641 0.084 . . . . . A 14 VAL CB . 25984 1 164 . 1 1 14 14 VAL CG1 C 13 23.806 0.000 . . . . . A 14 VAL CG1 . 25984 1 165 . 1 1 14 14 VAL CG2 C 13 21.016 0.000 . . . . . A 14 VAL CG2 . 25984 1 166 . 1 1 14 14 VAL N N 15 119.943 0.000 . . . . . A 14 VAL N . 25984 1 167 . 1 1 15 15 GLY H H 1 7.982 0.017 . . . . . A 15 GLY H . 25984 1 168 . 1 1 15 15 GLY HA2 H 1 3.566 0.002 . . . . . A 15 GLY HA2 . 25984 1 169 . 1 1 15 15 GLY HA3 H 1 3.866 0.000 . . . . . A 15 GLY HA3 . 25984 1 170 . 1 1 15 15 GLY CA C 13 45.818 0.000 . . . . . A 15 GLY CA . 25984 1 171 . 1 1 15 15 GLY N N 15 104.399 0.000 . . . . . A 15 GLY N . 25984 1 172 . 1 1 16 16 ALA H H 1 6.863 0.007 . . . . . A 16 ALA H . 25984 1 173 . 1 1 16 16 ALA HA H 1 4.224 0.001 . . . . . A 16 ALA HA . 25984 1 174 . 1 1 16 16 ALA HB1 H 1 1.259 0.003 . . . . . A 16 ALA HB1 . 25984 1 175 . 1 1 16 16 ALA HB2 H 1 1.259 0.003 . . . . . A 16 ALA HB2 . 25984 1 176 . 1 1 16 16 ALA HB3 H 1 1.259 0.003 . . . . . A 16 ALA HB3 . 25984 1 177 . 1 1 16 16 ALA CA C 13 51.490 0.000 . . . . . A 16 ALA CA . 25984 1 178 . 1 1 16 16 ALA CB C 13 19.195 0.000 . . . . . A 16 ALA CB . 25984 1 179 . 1 1 16 16 ALA N N 15 119.746 0.000 . . . . . A 16 ALA N . 25984 1 180 . 1 1 17 17 VAL H H 1 6.971 0.008 . . . . . A 17 VAL H . 25984 1 181 . 1 1 17 17 VAL HA H 1 3.529 0.004 . . . . . A 17 VAL HA . 25984 1 182 . 1 1 17 17 VAL HB H 1 1.960 0.003 . . . . . A 17 VAL HB . 25984 1 183 . 1 1 17 17 VAL HG11 H 1 0.548 0.008 . . . . . A 17 VAL HG11 . 25984 1 184 . 1 1 17 17 VAL HG12 H 1 0.548 0.008 . . . . . A 17 VAL HG12 . 25984 1 185 . 1 1 17 17 VAL HG13 H 1 0.548 0.008 . . . . . A 17 VAL HG13 . 25984 1 186 . 1 1 17 17 VAL HG21 H 1 0.855 0.006 . . . . . A 17 VAL HG21 . 25984 1 187 . 1 1 17 17 VAL HG22 H 1 0.855 0.006 . . . . . A 17 VAL HG22 . 25984 1 188 . 1 1 17 17 VAL HG23 H 1 0.855 0.006 . . . . . A 17 VAL HG23 . 25984 1 189 . 1 1 17 17 VAL CA C 13 62.722 0.000 . . . . . A 17 VAL CA . 25984 1 190 . 1 1 17 17 VAL CB C 13 32.437 0.000 . . . . . A 17 VAL CB . 25984 1 191 . 1 1 17 17 VAL CG1 C 13 21.313 0.108 . . . . . A 17 VAL CG1 . 25984 1 192 . 1 1 17 17 VAL CG2 C 13 22.349 0.000 . . . . . A 17 VAL CG2 . 25984 1 193 . 1 1 17 17 VAL N N 15 120.858 0.000 . . . . . A 17 VAL N . 25984 1 194 . 1 1 18 18 ASP H H 1 8.380 0.000 . . . . . A 18 ASP H . 25984 1 195 . 1 1 18 18 ASP HA H 1 4.593 0.008 . . . . . A 18 ASP HA . 25984 1 196 . 1 1 18 18 ASP HB2 H 1 2.601 0.028 . . . . . A 18 ASP HB2 . 25984 1 197 . 1 1 18 18 ASP HB3 H 1 2.684 0.009 . . . . . A 18 ASP HB3 . 25984 1 198 . 1 1 18 18 ASP CA C 13 50.702 0.000 . . . . . A 18 ASP CA . 25984 1 199 . 1 1 18 18 ASP CB C 13 41.656 0.040 . . . . . A 18 ASP CB . 25984 1 200 . 1 1 18 18 ASP N N 15 127.286 0.000 . . . . . A 18 ASP N . 25984 1 201 . 1 1 19 19 PRO HA H 1 3.979 0.014 . . . . . A 19 PRO HA . 25984 1 202 . 1 1 19 19 PRO HB2 H 1 1.694 0.002 . . . . . A 19 PRO HB2 . 25984 1 203 . 1 1 19 19 PRO HB3 H 1 2.078 0.002 . . . . . A 19 PRO HB3 . 25984 1 204 . 1 1 19 19 PRO HG2 H 1 1.812 0.007 . . . . . A 19 PRO HG2 . 25984 1 205 . 1 1 19 19 PRO HG3 H 1 1.768 0.009 . . . . . A 19 PRO HG3 . 25984 1 206 . 1 1 19 19 PRO HD2 H 1 3.792 0.002 . . . . . A 19 PRO HD2 . 25984 1 207 . 1 1 19 19 PRO HD3 H 1 4.016 0.000 . . . . . A 19 PRO HD3 . 25984 1 208 . 1 1 19 19 PRO CA C 13 63.802 0.000 . . . . . A 19 PRO CA . 25984 1 209 . 1 1 19 19 PRO CB C 13 31.778 0.177 . . . . . A 19 PRO CB . 25984 1 210 . 1 1 19 19 PRO CG C 13 26.971 0.000 . . . . . A 19 PRO CG . 25984 1 211 . 1 1 19 19 PRO CD C 13 51.042 0.000 . . . . . A 19 PRO CD . 25984 1 212 . 1 1 20 20 ASN H H 1 8.116 0.010 . . . . . A 20 ASN H . 25984 1 213 . 1 1 20 20 ASN HA H 1 4.643 0.004 . . . . . A 20 ASN HA . 25984 1 214 . 1 1 20 20 ASN HB2 H 1 2.463 0.013 . . . . . A 20 ASN HB2 . 25984 1 215 . 1 1 20 20 ASN HB3 H 1 2.743 0.008 . . . . . A 20 ASN HB3 . 25984 1 216 . 1 1 20 20 ASN HD21 H 1 6.817 0.005 . . . . . A 20 ASN HD21 . 25984 1 217 . 1 1 20 20 ASN HD22 H 1 7.708 0.006 . . . . . A 20 ASN HD22 . 25984 1 218 . 1 1 20 20 ASN CA C 13 52.860 0.000 . . . . . A 20 ASN CA . 25984 1 219 . 1 1 20 20 ASN CB C 13 39.361 0.000 . . . . . A 20 ASN CB . 25984 1 220 . 1 1 20 20 ASN N N 15 113.876 0.000 . . . . . A 20 ASN N . 25984 1 221 . 1 1 20 20 ASN ND2 N 15 115.015 0.000 . . . . . A 20 ASN ND2 . 25984 1 222 . 1 1 21 21 GLY H H 1 7.075 0.003 . . . . . A 21 GLY H . 25984 1 223 . 1 1 21 21 GLY HA2 H 1 3.597 0.011 . . . . . A 21 GLY HA2 . 25984 1 224 . 1 1 21 21 GLY HA3 H 1 4.199 0.006 . . . . . A 21 GLY HA3 . 25984 1 225 . 1 1 21 21 GLY CA C 13 44.292 0.000 . . . . . A 21 GLY CA . 25984 1 226 . 1 1 21 21 GLY N N 15 108.441 0.000 . . . . . A 21 GLY N . 25984 1 227 . 1 1 22 22 PRO HA H 1 4.183 0.001 . . . . . A 22 PRO HA . 25984 1 228 . 1 1 22 22 PRO HB2 H 1 1.669 0.001 . . . . . A 22 PRO HB2 . 25984 1 229 . 1 1 22 22 PRO HB3 H 1 1.977 0.005 . . . . . A 22 PRO HB3 . 25984 1 230 . 1 1 22 22 PRO HG2 H 1 1.883 0.000 . . . . . A 22 PRO HG2 . 25984 1 231 . 1 1 22 22 PRO HG3 H 1 1.787 0.004 . . . . . A 22 PRO HG3 . 25984 1 232 . 1 1 22 22 PRO HD2 H 1 3.376 0.007 . . . . . A 22 PRO HD2 . 25984 1 233 . 1 1 22 22 PRO HD3 H 1 3.349 0.000 . . . . . A 22 PRO HD3 . 25984 1 234 . 1 1 22 22 PRO CA C 13 62.925 0.083 . . . . . A 22 PRO CA . 25984 1 235 . 1 1 22 22 PRO CB C 13 30.995 0.000 . . . . . A 22 PRO CB . 25984 1 236 . 1 1 22 22 PRO CG C 13 27.258 0.219 . . . . . A 22 PRO CG . 25984 1 237 . 1 1 22 22 PRO CD C 13 49.084 0.000 . . . . . A 22 PRO CD . 25984 1 238 . 1 1 23 23 ARG H H 1 8.281 0.009 . . . . . A 23 ARG H . 25984 1 239 . 1 1 23 23 ARG HA H 1 4.361 0.006 . . . . . A 23 ARG HA . 25984 1 240 . 1 1 23 23 ARG HB2 H 1 1.475 0.008 . . . . . A 23 ARG HB2 . 25984 1 241 . 1 1 23 23 ARG HB3 H 1 1.522 0.000 . . . . . A 23 ARG HB3 . 25984 1 242 . 1 1 23 23 ARG HG2 H 1 1.423 0.003 . . . . . A 23 ARG HG2 . 25984 1 243 . 1 1 23 23 ARG HD2 H 1 2.903 0.003 . . . . . A 23 ARG HD2 . 25984 1 244 . 1 1 23 23 ARG HD3 H 1 2.898 0.013 . . . . . A 23 ARG HD3 . 25984 1 245 . 1 1 23 23 ARG CA C 13 53.768 0.000 . . . . . A 23 ARG CA . 25984 1 246 . 1 1 23 23 ARG CB C 13 31.745 0.011 . . . . . A 23 ARG CB . 25984 1 247 . 1 1 23 23 ARG CG C 13 27.093 0.046 . . . . . A 23 ARG CG . 25984 1 248 . 1 1 23 23 ARG CD C 13 41.462 0.000 . . . . . A 23 ARG CD . 25984 1 249 . 1 1 23 23 ARG N N 15 123.737 0.000 . . . . . A 23 ARG N . 25984 1 250 . 1 1 24 24 LYS H H 1 10.149 0.012 . . . . . A 24 LYS H . 25984 1 251 . 1 1 24 24 LYS HA H 1 4.208 0.005 . . . . . A 24 LYS HA . 25984 1 252 . 1 1 24 24 LYS HB2 H 1 1.499 0.012 . . . . . A 24 LYS HB2 . 25984 1 253 . 1 1 24 24 LYS HB3 H 1 1.536 0.005 . . . . . A 24 LYS HB3 . 25984 1 254 . 1 1 24 24 LYS HG2 H 1 1.138 0.000 . . . . . A 24 LYS HG2 . 25984 1 255 . 1 1 24 24 LYS HG3 H 1 1.200 0.002 . . . . . A 24 LYS HG3 . 25984 1 256 . 1 1 24 24 LYS HD2 H 1 1.411 0.010 . . . . . A 24 LYS HD2 . 25984 1 257 . 1 1 24 24 LYS HE2 H 1 2.717 0.007 . . . . . A 24 LYS HE2 . 25984 1 258 . 1 1 24 24 LYS CA C 13 56.846 0.000 . . . . . A 24 LYS CA . 25984 1 259 . 1 1 24 24 LYS CB C 13 35.159 0.000 . . . . . A 24 LYS CB . 25984 1 260 . 1 1 24 24 LYS CG C 13 24.807 0.075 . . . . . A 24 LYS CG . 25984 1 261 . 1 1 24 24 LYS CD C 13 29.189 0.000 . . . . . A 24 LYS CD . 25984 1 262 . 1 1 24 24 LYS CE C 13 41.818 0.138 . . . . . A 24 LYS CE . 25984 1 263 . 1 1 24 24 LYS N N 15 123.395 0.000 . . . . . A 24 LYS N . 25984 1 264 . 1 1 25 25 VAL H H 1 8.926 0.016 . . . . . A 25 VAL H . 25984 1 265 . 1 1 25 25 VAL HA H 1 3.838 0.002 . . . . . A 25 VAL HA . 25984 1 266 . 1 1 25 25 VAL HB H 1 1.998 0.004 . . . . . A 25 VAL HB . 25984 1 267 . 1 1 25 25 VAL HG11 H 1 0.496 0.006 . . . . . A 25 VAL HG11 . 25984 1 268 . 1 1 25 25 VAL HG12 H 1 0.496 0.006 . . . . . A 25 VAL HG12 . 25984 1 269 . 1 1 25 25 VAL HG13 H 1 0.496 0.006 . . . . . A 25 VAL HG13 . 25984 1 270 . 1 1 25 25 VAL HG21 H 1 0.678 0.006 . . . . . A 25 VAL HG21 . 25984 1 271 . 1 1 25 25 VAL HG22 H 1 0.678 0.006 . . . . . A 25 VAL HG22 . 25984 1 272 . 1 1 25 25 VAL HG23 H 1 0.678 0.006 . . . . . A 25 VAL HG23 . 25984 1 273 . 1 1 25 25 VAL CA C 13 61.062 0.105 . . . . . A 25 VAL CA . 25984 1 274 . 1 1 25 25 VAL CB C 13 31.915 0.000 . . . . . A 25 VAL CB . 25984 1 275 . 1 1 25 25 VAL CG1 C 13 21.087 0.212 . . . . . A 25 VAL CG1 . 25984 1 276 . 1 1 25 25 VAL CG2 C 13 24.022 0.000 . . . . . A 25 VAL CG2 . 25984 1 277 . 1 1 25 25 VAL N N 15 122.541 0.000 . . . . . A 25 VAL N . 25984 1 278 . 1 1 26 26 LEU H H 1 7.720 0.009 . . . . . A 26 LEU H . 25984 1 279 . 1 1 26 26 LEU HA H 1 4.249 0.002 . . . . . A 26 LEU HA . 25984 1 280 . 1 1 26 26 LEU HB2 H 1 1.044 0.007 . . . . . A 26 LEU HB2 . 25984 1 281 . 1 1 26 26 LEU HB3 H 1 1.515 0.007 . . . . . A 26 LEU HB3 . 25984 1 282 . 1 1 26 26 LEU HG H 1 1.175 0.001 . . . . . A 26 LEU HG . 25984 1 283 . 1 1 26 26 LEU HD11 H 1 0.676 0.008 . . . . . A 26 LEU HD11 . 25984 1 284 . 1 1 26 26 LEU HD12 H 1 0.676 0.008 . . . . . A 26 LEU HD12 . 25984 1 285 . 1 1 26 26 LEU HD13 H 1 0.676 0.008 . . . . . A 26 LEU HD13 . 25984 1 286 . 1 1 26 26 LEU HD21 H 1 0.678 0.007 . . . . . A 26 LEU HD21 . 25984 1 287 . 1 1 26 26 LEU HD22 H 1 0.678 0.007 . . . . . A 26 LEU HD22 . 25984 1 288 . 1 1 26 26 LEU HD23 H 1 0.678 0.007 . . . . . A 26 LEU HD23 . 25984 1 289 . 1 1 26 26 LEU CA C 13 52.522 0.000 . . . . . A 26 LEU CA . 25984 1 290 . 1 1 26 26 LEU CB C 13 41.999 0.000 . . . . . A 26 LEU CB . 25984 1 291 . 1 1 26 26 LEU CG C 13 26.811 0.158 . . . . . A 26 LEU CG . 25984 1 292 . 1 1 26 26 LEU CD1 C 13 25.163 0.000 . . . . . A 26 LEU CD1 . 25984 1 293 . 1 1 26 26 LEU CD2 C 13 24.022 0.000 . . . . . A 26 LEU CD2 . 25984 1 294 . 1 1 26 26 LEU N N 15 123.637 0.000 . . . . . A 26 LEU N . 25984 1 295 . 1 1 27 27 GLY H H 1 6.423 0.010 . . . . . A 27 GLY H . 25984 1 296 . 1 1 27 27 GLY HA2 H 1 3.376 0.009 . . . . . A 27 GLY HA2 . 25984 1 297 . 1 1 27 27 GLY HA3 H 1 3.921 0.002 . . . . . A 27 GLY HA3 . 25984 1 298 . 1 1 27 27 GLY CA C 13 44.408 0.186 . . . . . A 27 GLY CA . 25984 1 299 . 1 1 27 27 GLY N N 15 105.430 0.000 . . . . . A 27 GLY N . 25984 1 300 . 1 1 28 28 VAL H H 1 9.796 0.007 . . . . . A 28 VAL H . 25984 1 301 . 1 1 28 28 VAL HA H 1 4.187 0.003 . . . . . A 28 VAL HA . 25984 1 302 . 1 1 28 28 VAL HB H 1 1.340 0.006 . . . . . A 28 VAL HB . 25984 1 303 . 1 1 28 28 VAL HG11 H 1 -0.414 0.006 . . . . . A 28 VAL HG11 . 25984 1 304 . 1 1 28 28 VAL HG12 H 1 -0.414 0.006 . . . . . A 28 VAL HG12 . 25984 1 305 . 1 1 28 28 VAL HG13 H 1 -0.414 0.006 . . . . . A 28 VAL HG13 . 25984 1 306 . 1 1 28 28 VAL HG21 H 1 0.407 0.005 . . . . . A 28 VAL HG21 . 25984 1 307 . 1 1 28 28 VAL HG22 H 1 0.407 0.005 . . . . . A 28 VAL HG22 . 25984 1 308 . 1 1 28 28 VAL HG23 H 1 0.407 0.005 . . . . . A 28 VAL HG23 . 25984 1 309 . 1 1 28 28 VAL CA C 13 63.043 0.102 . . . . . A 28 VAL CA . 25984 1 310 . 1 1 28 28 VAL CB C 13 32.665 0.000 . . . . . A 28 VAL CB . 25984 1 311 . 1 1 28 28 VAL CG1 C 13 20.681 0.000 . . . . . A 28 VAL CG1 . 25984 1 312 . 1 1 28 28 VAL CG2 C 13 20.474 0.000 . . . . . A 28 VAL CG2 . 25984 1 313 . 1 1 28 28 VAL N N 15 121.617 0.000 . . . . . A 28 VAL N . 25984 1 314 . 1 1 29 29 PHE H H 1 8.707 0.011 . . . . . A 29 PHE H . 25984 1 315 . 1 1 29 29 PHE HA H 1 4.905 0.007 . . . . . A 29 PHE HA . 25984 1 316 . 1 1 29 29 PHE HB2 H 1 2.237 0.008 . . . . . A 29 PHE HB2 . 25984 1 317 . 1 1 29 29 PHE HB3 H 1 3.057 0.009 . . . . . A 29 PHE HB3 . 25984 1 318 . 1 1 29 29 PHE HD1 H 1 6.889 0.002 . . . . . A 29 PHE HD1 . 25984 1 319 . 1 1 29 29 PHE HD2 H 1 6.889 0.002 . . . . . A 29 PHE HD2 . 25984 1 320 . 1 1 29 29 PHE HE1 H 1 6.637 0.002 . . . . . A 29 PHE HE1 . 25984 1 321 . 1 1 29 29 PHE HE2 H 1 6.637 0.002 . . . . . A 29 PHE HE2 . 25984 1 322 . 1 1 29 29 PHE HZ H 1 6.423 0.069 . . . . . A 29 PHE HZ . 25984 1 323 . 1 1 29 29 PHE CA C 13 55.316 0.000 . . . . . A 29 PHE CA . 25984 1 324 . 1 1 29 29 PHE CB C 13 40.356 0.000 . . . . . A 29 PHE CB . 25984 1 325 . 1 1 29 29 PHE CD1 C 13 131.881 0.000 . . . . . A 29 PHE CD1 . 25984 1 326 . 1 1 29 29 PHE CE1 C 13 130.287 0.000 . . . . . A 29 PHE CE1 . 25984 1 327 . 1 1 29 29 PHE CZ C 13 129.032 0.000 . . . . . A 29 PHE CZ . 25984 1 328 . 1 1 29 29 PHE N N 15 126.532 0.237 . . . . . A 29 PHE N . 25984 1 329 . 1 1 30 30 GLN H H 1 8.957 0.008 . . . . . A 30 GLN H . 25984 1 330 . 1 1 30 30 GLN HA H 1 4.515 0.006 . . . . . A 30 GLN HA . 25984 1 331 . 1 1 30 30 GLN HB2 H 1 1.856 0.010 . . . . . A 30 GLN HB2 . 25984 1 332 . 1 1 30 30 GLN HB3 H 1 2.195 0.012 . . . . . A 30 GLN HB3 . 25984 1 333 . 1 1 30 30 GLN HG2 H 1 2.307 0.011 . . . . . A 30 GLN HG2 . 25984 1 334 . 1 1 30 30 GLN HG3 H 1 1.849 0.007 . . . . . A 30 GLN HG3 . 25984 1 335 . 1 1 30 30 GLN HE21 H 1 7.345 0.007 . . . . . A 30 GLN HE21 . 25984 1 336 . 1 1 30 30 GLN HE22 H 1 6.339 0.009 . . . . . A 30 GLN HE22 . 25984 1 337 . 1 1 30 30 GLN CA C 13 54.448 0.000 . . . . . A 30 GLN CA . 25984 1 338 . 1 1 30 30 GLN CB C 13 31.142 0.215 . . . . . A 30 GLN CB . 25984 1 339 . 1 1 30 30 GLN CG C 13 33.935 0.000 . . . . . A 30 GLN CG . 25984 1 340 . 1 1 30 30 GLN N N 15 124.823 0.000 . . . . . A 30 GLN N . 25984 1 341 . 1 1 30 30 GLN NE2 N 15 113.387 0.000 . . . . . A 30 GLN NE2 . 25984 1 342 . 1 1 31 31 LEU H H 1 9.618 0.008 . . . . . A 31 LEU H . 25984 1 343 . 1 1 31 31 LEU HA H 1 4.962 0.002 . . . . . A 31 LEU HA . 25984 1 344 . 1 1 31 31 LEU HB2 H 1 0.958 0.004 . . . . . A 31 LEU HB2 . 25984 1 345 . 1 1 31 31 LEU HB3 H 1 1.881 0.000 . . . . . A 31 LEU HB3 . 25984 1 346 . 1 1 31 31 LEU HG H 1 1.391 0.007 . . . . . A 31 LEU HG . 25984 1 347 . 1 1 31 31 LEU HD11 H 1 0.399 0.005 . . . . . A 31 LEU HD11 . 25984 1 348 . 1 1 31 31 LEU HD12 H 1 0.399 0.005 . . . . . A 31 LEU HD12 . 25984 1 349 . 1 1 31 31 LEU HD13 H 1 0.399 0.005 . . . . . A 31 LEU HD13 . 25984 1 350 . 1 1 31 31 LEU HD21 H 1 0.551 0.004 . . . . . A 31 LEU HD21 . 25984 1 351 . 1 1 31 31 LEU HD22 H 1 0.551 0.004 . . . . . A 31 LEU HD22 . 25984 1 352 . 1 1 31 31 LEU HD23 H 1 0.551 0.004 . . . . . A 31 LEU HD23 . 25984 1 353 . 1 1 31 31 LEU CA C 13 53.383 0.000 . . . . . A 31 LEU CA . 25984 1 354 . 1 1 31 31 LEU CB C 13 43.978 0.000 . . . . . A 31 LEU CB . 25984 1 355 . 1 1 31 31 LEU CG C 13 27.524 0.000 . . . . . A 31 LEU CG . 25984 1 356 . 1 1 31 31 LEU CD1 C 13 25.666 0.000 . . . . . A 31 LEU CD1 . 25984 1 357 . 1 1 31 31 LEU CD2 C 13 22.522 0.000 . . . . . A 31 LEU CD2 . 25984 1 358 . 1 1 31 31 LEU N N 15 130.821 0.000 . . . . . A 31 LEU N . 25984 1 359 . 1 1 32 32 ASN H H 1 9.277 0.012 . . . . . A 32 ASN H . 25984 1 360 . 1 1 32 32 ASN HA H 1 5.287 0.009 . . . . . A 32 ASN HA . 25984 1 361 . 1 1 32 32 ASN HB2 H 1 2.174 0.007 . . . . . A 32 ASN HB2 . 25984 1 362 . 1 1 32 32 ASN HB3 H 1 3.045 0.015 . . . . . A 32 ASN HB3 . 25984 1 363 . 1 1 32 32 ASN HD21 H 1 6.361 0.003 . . . . . A 32 ASN HD21 . 25984 1 364 . 1 1 32 32 ASN HD22 H 1 6.598 0.004 . . . . . A 32 ASN HD22 . 25984 1 365 . 1 1 32 32 ASN CA C 13 51.408 0.000 . . . . . A 32 ASN CA . 25984 1 366 . 1 1 32 32 ASN CB C 13 39.681 0.000 . . . . . A 32 ASN CB . 25984 1 367 . 1 1 32 32 ASN N N 15 126.994 0.000 . . . . . A 32 ASN N . 25984 1 368 . 1 1 32 32 ASN ND2 N 15 110.130 0.000 . . . . . A 32 ASN ND2 . 25984 1 369 . 1 1 33 33 ILE H H 1 9.122 0.004 . . . . . A 33 ILE H . 25984 1 370 . 1 1 33 33 ILE HA H 1 4.798 0.003 . . . . . A 33 ILE HA . 25984 1 371 . 1 1 33 33 ILE HB H 1 1.804 0.006 . . . . . A 33 ILE HB . 25984 1 372 . 1 1 33 33 ILE HG12 H 1 1.535 0.014 . . . . . A 33 ILE HG12 . 25984 1 373 . 1 1 33 33 ILE HG13 H 1 1.538 0.005 . . . . . A 33 ILE HG13 . 25984 1 374 . 1 1 33 33 ILE HG21 H 1 0.606 0.004 . . . . . A 33 ILE HG21 . 25984 1 375 . 1 1 33 33 ILE HG22 H 1 0.606 0.004 . . . . . A 33 ILE HG22 . 25984 1 376 . 1 1 33 33 ILE HG23 H 1 0.606 0.004 . . . . . A 33 ILE HG23 . 25984 1 377 . 1 1 33 33 ILE HD11 H 1 0.514 0.002 . . . . . A 33 ILE HD11 . 25984 1 378 . 1 1 33 33 ILE HD12 H 1 0.514 0.002 . . . . . A 33 ILE HD12 . 25984 1 379 . 1 1 33 33 ILE HD13 H 1 0.514 0.002 . . . . . A 33 ILE HD13 . 25984 1 380 . 1 1 33 33 ILE CA C 13 59.982 0.000 . . . . . A 33 ILE CA . 25984 1 381 . 1 1 33 33 ILE CB C 13 40.019 0.000 . . . . . A 33 ILE CB . 25984 1 382 . 1 1 33 33 ILE CG1 C 13 26.884 0.127 . . . . . A 33 ILE CG1 . 25984 1 383 . 1 1 33 33 ILE CG2 C 13 17.573 0.038 . . . . . A 33 ILE CG2 . 25984 1 384 . 1 1 33 33 ILE CD1 C 13 14.729 0.000 . . . . . A 33 ILE CD1 . 25984 1 385 . 1 1 33 33 ILE N N 15 122.552 0.000 . . . . . A 33 ILE N . 25984 1 386 . 1 1 34 34 LYS H H 1 8.802 0.003 . . . . . A 34 LYS H . 25984 1 387 . 1 1 34 34 LYS HA H 1 4.432 0.002 . . . . . A 34 LYS HA . 25984 1 388 . 1 1 34 34 LYS HB2 H 1 1.531 0.005 . . . . . A 34 LYS HB2 . 25984 1 389 . 1 1 34 34 LYS HB3 H 1 1.731 0.002 . . . . . A 34 LYS HB3 . 25984 1 390 . 1 1 34 34 LYS HG2 H 1 1.152 0.003 . . . . . A 34 LYS HG2 . 25984 1 391 . 1 1 34 34 LYS HG3 H 1 1.198 0.003 . . . . . A 34 LYS HG3 . 25984 1 392 . 1 1 34 34 LYS HD2 H 1 1.503 0.006 . . . . . A 34 LYS HD2 . 25984 1 393 . 1 1 34 34 LYS HE2 H 1 2.719 0.008 . . . . . A 34 LYS HE2 . 25984 1 394 . 1 1 34 34 LYS CA C 13 57.073 0.000 . . . . . A 34 LYS CA . 25984 1 395 . 1 1 34 34 LYS CB C 13 32.472 0.000 . . . . . A 34 LYS CB . 25984 1 396 . 1 1 34 34 LYS CG C 13 24.724 0.038 . . . . . A 34 LYS CG . 25984 1 397 . 1 1 34 34 LYS CD C 13 29.442 0.000 . . . . . A 34 LYS CD . 25984 1 398 . 1 1 34 34 LYS CE C 13 41.983 0.000 . . . . . A 34 LYS CE . 25984 1 399 . 1 1 34 34 LYS N N 15 127.094 0.000 . . . . . A 34 LYS N . 25984 1 400 . 1 1 35 35 THR H H 1 8.494 0.015 . . . . . A 35 THR H . 25984 1 401 . 1 1 35 35 THR HA H 1 4.731 0.006 . . . . . A 35 THR HA . 25984 1 402 . 1 1 35 35 THR HB H 1 4.499 0.010 . . . . . A 35 THR HB . 25984 1 403 . 1 1 35 35 THR HG21 H 1 1.067 0.004 . . . . . A 35 THR HG21 . 25984 1 404 . 1 1 35 35 THR HG22 H 1 1.067 0.004 . . . . . A 35 THR HG22 . 25984 1 405 . 1 1 35 35 THR HG23 H 1 1.067 0.004 . . . . . A 35 THR HG23 . 25984 1 406 . 1 1 35 35 THR CA C 13 59.822 0.000 . . . . . A 35 THR CA . 25984 1 407 . 1 1 35 35 THR CB C 13 71.328 0.000 . . . . . A 35 THR CB . 25984 1 408 . 1 1 35 35 THR CG2 C 13 21.557 0.000 . . . . . A 35 THR CG2 . 25984 1 409 . 1 1 35 35 THR N N 15 118.610 0.000 . . . . . A 35 THR N . 25984 1 410 . 1 1 36 36 ALA H H 1 8.845 0.014 . . . . . A 36 ALA H . 25984 1 411 . 1 1 36 36 ALA HA H 1 4.045 0.012 . . . . . A 36 ALA HA . 25984 1 412 . 1 1 36 36 ALA HB1 H 1 1.300 0.005 . . . . . A 36 ALA HB1 . 25984 1 413 . 1 1 36 36 ALA HB2 H 1 1.300 0.005 . . . . . A 36 ALA HB2 . 25984 1 414 . 1 1 36 36 ALA HB3 H 1 1.300 0.005 . . . . . A 36 ALA HB3 . 25984 1 415 . 1 1 36 36 ALA CA C 13 54.578 0.000 . . . . . A 36 ALA CA . 25984 1 416 . 1 1 36 36 ALA CB C 13 18.235 0.000 . . . . . A 36 ALA CB . 25984 1 417 . 1 1 36 36 ALA N N 15 121.424 0.000 . . . . . A 36 ALA N . 25984 1 418 . 1 1 37 37 SER H H 1 7.890 0.012 . . . . . A 37 SER H . 25984 1 419 . 1 1 37 37 SER HA H 1 4.429 0.001 . . . . . A 37 SER HA . 25984 1 420 . 1 1 37 37 SER HB2 H 1 3.598 0.003 . . . . . A 37 SER HB2 . 25984 1 421 . 1 1 37 37 SER HB3 H 1 3.700 0.004 . . . . . A 37 SER HB3 . 25984 1 422 . 1 1 37 37 SER CA C 13 57.622 0.000 . . . . . A 37 SER CA . 25984 1 423 . 1 1 37 37 SER CB C 13 64.020 0.000 . . . . . A 37 SER CB . 25984 1 424 . 1 1 37 37 SER N N 15 109.018 0.000 . . . . . A 37 SER N . 25984 1 425 . 1 1 38 38 GLY H H 1 7.273 0.015 . . . . . A 38 GLY H . 25984 1 426 . 1 1 38 38 GLY HA2 H 1 3.689 0.008 . . . . . A 38 GLY HA2 . 25984 1 427 . 1 1 38 38 GLY HA3 H 1 4.140 0.013 . . . . . A 38 GLY HA3 . 25984 1 428 . 1 1 38 38 GLY CA C 13 45.159 0.000 . . . . . A 38 GLY CA . 25984 1 429 . 1 1 38 38 GLY N N 15 110.740 0.000 . . . . . A 38 GLY N . 25984 1 430 . 1 1 39 39 VAL H H 1 8.310 0.010 . . . . . A 39 VAL H . 25984 1 431 . 1 1 39 39 VAL HA H 1 4.729 0.002 . . . . . A 39 VAL HA . 25984 1 432 . 1 1 39 39 VAL HB H 1 1.688 0.005 . . . . . A 39 VAL HB . 25984 1 433 . 1 1 39 39 VAL HG11 H 1 0.532 0.002 . . . . . A 39 VAL HG11 . 25984 1 434 . 1 1 39 39 VAL HG12 H 1 0.532 0.002 . . . . . A 39 VAL HG12 . 25984 1 435 . 1 1 39 39 VAL HG13 H 1 0.532 0.002 . . . . . A 39 VAL HG13 . 25984 1 436 . 1 1 39 39 VAL HG21 H 1 0.674 0.001 . . . . . A 39 VAL HG21 . 25984 1 437 . 1 1 39 39 VAL HG22 H 1 0.674 0.001 . . . . . A 39 VAL HG22 . 25984 1 438 . 1 1 39 39 VAL HG23 H 1 0.674 0.001 . . . . . A 39 VAL HG23 . 25984 1 439 . 1 1 39 39 VAL CA C 13 60.552 0.000 . . . . . A 39 VAL CA . 25984 1 440 . 1 1 39 39 VAL CB C 13 33.962 0.000 . . . . . A 39 VAL CB . 25984 1 441 . 1 1 39 39 VAL CG1 C 13 21.188 0.108 . . . . . A 39 VAL CG1 . 25984 1 442 . 1 1 39 39 VAL CG2 C 13 21.232 0.000 . . . . . A 39 VAL CG2 . 25984 1 443 . 1 1 39 39 VAL N N 15 122.229 0.000 . . . . . A 39 VAL N . 25984 1 444 . 1 1 40 40 GLU H H 1 9.199 0.007 . . . . . A 40 GLU H . 25984 1 445 . 1 1 40 40 GLU HA H 1 4.474 0.007 . . . . . A 40 GLU HA . 25984 1 446 . 1 1 40 40 GLU HB2 H 1 1.854 0.010 . . . . . A 40 GLU HB2 . 25984 1 447 . 1 1 40 40 GLU HB3 H 1 2.105 0.012 . . . . . A 40 GLU HB3 . 25984 1 448 . 1 1 40 40 GLU HG2 H 1 2.102 0.004 . . . . . A 40 GLU HG2 . 25984 1 449 . 1 1 40 40 GLU HG3 H 1 2.198 0.003 . . . . . A 40 GLU HG3 . 25984 1 450 . 1 1 40 40 GLU CA C 13 55.149 0.132 . . . . . A 40 GLU CA . 25984 1 451 . 1 1 40 40 GLU CB C 13 31.487 0.121 . . . . . A 40 GLU CB . 25984 1 452 . 1 1 40 40 GLU CG C 13 36.139 0.000 . . . . . A 40 GLU CG . 25984 1 453 . 1 1 40 40 GLU N N 15 128.014 0.000 . . . . . A 40 GLU N . 25984 1 454 . 1 1 41 41 GLN H H 1 8.302 0.014 . . . . . A 41 GLN H . 25984 1 455 . 1 1 41 41 GLN HA H 1 5.283 0.003 . . . . . A 41 GLN HA . 25984 1 456 . 1 1 41 41 GLN HB2 H 1 1.489 0.008 . . . . . A 41 GLN HB2 . 25984 1 457 . 1 1 41 41 GLN HB3 H 1 1.533 0.005 . . . . . A 41 GLN HB3 . 25984 1 458 . 1 1 41 41 GLN HG2 H 1 2.241 0.006 . . . . . A 41 GLN HG2 . 25984 1 459 . 1 1 41 41 GLN HG3 H 1 1.762 0.019 . . . . . A 41 GLN HG3 . 25984 1 460 . 1 1 41 41 GLN HE21 H 1 7.431 0.008 . . . . . A 41 GLN HE21 . 25984 1 461 . 1 1 41 41 GLN HE22 H 1 6.529 0.005 . . . . . A 41 GLN HE22 . 25984 1 462 . 1 1 41 41 GLN CA C 13 56.442 0.000 . . . . . A 41 GLN CA . 25984 1 463 . 1 1 41 41 GLN CB C 13 31.723 0.000 . . . . . A 41 GLN CB . 25984 1 464 . 1 1 41 41 GLN CG C 13 35.267 0.000 . . . . . A 41 GLN CG . 25984 1 465 . 1 1 41 41 GLN N N 15 122.914 0.000 . . . . . A 41 GLN N . 25984 1 466 . 1 1 41 41 GLN NE2 N 15 111.759 0.000 . . . . . A 41 GLN NE2 . 25984 1 467 . 1 1 42 42 TRP H H 1 9.430 0.009 . . . . . A 42 TRP H . 25984 1 468 . 1 1 42 42 TRP HA H 1 4.637 0.010 . . . . . A 42 TRP HA . 25984 1 469 . 1 1 42 42 TRP HB2 H 1 2.628 0.007 . . . . . A 42 TRP HB2 . 25984 1 470 . 1 1 42 42 TRP HB3 H 1 2.826 0.006 . . . . . A 42 TRP HB3 . 25984 1 471 . 1 1 42 42 TRP HD1 H 1 6.590 0.008 . . . . . A 42 TRP HD1 . 25984 1 472 . 1 1 42 42 TRP HE1 H 1 10.267 0.006 . . . . . A 42 TRP HE1 . 25984 1 473 . 1 1 42 42 TRP HE3 H 1 6.991 0.004 . . . . . A 42 TRP HE3 . 25984 1 474 . 1 1 42 42 TRP HZ2 H 1 7.246 0.003 . . . . . A 42 TRP HZ2 . 25984 1 475 . 1 1 42 42 TRP HZ3 H 1 6.752 0.005 . . . . . A 42 TRP HZ3 . 25984 1 476 . 1 1 42 42 TRP HH2 H 1 6.990 0.005 . . . . . A 42 TRP HH2 . 25984 1 477 . 1 1 42 42 TRP CA C 13 57.022 0.000 . . . . . A 42 TRP CA . 25984 1 478 . 1 1 42 42 TRP CB C 13 33.570 0.000 . . . . . A 42 TRP CB . 25984 1 479 . 1 1 42 42 TRP CD1 C 13 124.788 0.000 . . . . . A 42 TRP CD1 . 25984 1 480 . 1 1 42 42 TRP CE3 C 13 119.788 0.000 . . . . . A 42 TRP CE3 . 25984 1 481 . 1 1 42 42 TRP CZ2 C 13 114.438 0.000 . . . . . A 42 TRP CZ2 . 25984 1 482 . 1 1 42 42 TRP CZ3 C 13 121.913 0.000 . . . . . A 42 TRP CZ3 . 25984 1 483 . 1 1 42 42 TRP CH2 C 13 124.425 0.000 . . . . . A 42 TRP CH2 . 25984 1 484 . 1 1 42 42 TRP N N 15 124.730 0.000 . . . . . A 42 TRP N . 25984 1 485 . 1 1 42 42 TRP NE1 N 15 128.583 0.000 . . . . . A 42 TRP NE1 . 25984 1 486 . 1 1 43 43 ILE H H 1 9.581 0.018 . . . . . A 43 ILE H . 25984 1 487 . 1 1 43 43 ILE HA H 1 4.132 0.003 . . . . . A 43 ILE HA . 25984 1 488 . 1 1 43 43 ILE HB H 1 1.641 0.007 . . . . . A 43 ILE HB . 25984 1 489 . 1 1 43 43 ILE HG12 H 1 1.384 0.001 . . . . . A 43 ILE HG12 . 25984 1 490 . 1 1 43 43 ILE HG13 H 1 1.397 0.013 . . . . . A 43 ILE HG13 . 25984 1 491 . 1 1 43 43 ILE HG21 H 1 0.440 0.007 . . . . . A 43 ILE HG21 . 25984 1 492 . 1 1 43 43 ILE HG22 H 1 0.440 0.007 . . . . . A 43 ILE HG22 . 25984 1 493 . 1 1 43 43 ILE HG23 H 1 0.440 0.007 . . . . . A 43 ILE HG23 . 25984 1 494 . 1 1 43 43 ILE HD11 H 1 0.483 0.004 . . . . . A 43 ILE HD11 . 25984 1 495 . 1 1 43 43 ILE HD12 H 1 0.483 0.004 . . . . . A 43 ILE HD12 . 25984 1 496 . 1 1 43 43 ILE HD13 H 1 0.483 0.004 . . . . . A 43 ILE HD13 . 25984 1 497 . 1 1 43 43 ILE CA C 13 60.187 0.008 . . . . . A 43 ILE CA . 25984 1 498 . 1 1 43 43 ILE CB C 13 40.400 0.102 . . . . . A 43 ILE CB . 25984 1 499 . 1 1 43 43 ILE CG1 C 13 26.974 0.000 . . . . . A 43 ILE CG1 . 25984 1 500 . 1 1 43 43 ILE CG2 C 13 18.269 0.000 . . . . . A 43 ILE CG2 . 25984 1 501 . 1 1 43 43 ILE CD1 C 13 14.538 0.000 . . . . . A 43 ILE CD1 . 25984 1 502 . 1 1 43 43 ILE N N 15 122.114 0.000 . . . . . A 43 ILE N . 25984 1 503 . 1 1 44 44 VAL H H 1 9.042 0.011 . . . . . A 44 VAL H . 25984 1 504 . 1 1 44 44 VAL HA H 1 4.195 0.006 . . . . . A 44 VAL HA . 25984 1 505 . 1 1 44 44 VAL HB H 1 2.044 0.012 . . . . . A 44 VAL HB . 25984 1 506 . 1 1 44 44 VAL HG11 H 1 0.502 0.004 . . . . . A 44 VAL HG11 . 25984 1 507 . 1 1 44 44 VAL HG12 H 1 0.502 0.004 . . . . . A 44 VAL HG12 . 25984 1 508 . 1 1 44 44 VAL HG13 H 1 0.502 0.004 . . . . . A 44 VAL HG13 . 25984 1 509 . 1 1 44 44 VAL HG21 H 1 0.676 0.006 . . . . . A 44 VAL HG21 . 25984 1 510 . 1 1 44 44 VAL HG22 H 1 0.676 0.006 . . . . . A 44 VAL HG22 . 25984 1 511 . 1 1 44 44 VAL HG23 H 1 0.676 0.006 . . . . . A 44 VAL HG23 . 25984 1 512 . 1 1 44 44 VAL CA C 13 61.687 0.000 . . . . . A 44 VAL CA . 25984 1 513 . 1 1 44 44 VAL CB C 13 31.744 0.232 . . . . . A 44 VAL CB . 25984 1 514 . 1 1 44 44 VAL CG1 C 13 20.270 0.000 . . . . . A 44 VAL CG1 . 25984 1 515 . 1 1 44 44 VAL CG2 C 13 20.165 0.000 . . . . . A 44 VAL CG2 . 25984 1 516 . 1 1 44 44 VAL N N 15 126.601 0.000 . . . . . A 44 VAL N . 25984 1 517 . 1 1 45 45 ASP H H 1 8.749 0.016 . . . . . A 45 ASP H . 25984 1 518 . 1 1 45 45 ASP HA H 1 4.626 0.009 . . . . . A 45 ASP HA . 25984 1 519 . 1 1 45 45 ASP HB2 H 1 3.053 0.017 . . . . . A 45 ASP HB2 . 25984 1 520 . 1 1 45 45 ASP HB3 H 1 2.033 0.000 . . . . . A 45 ASP HB3 . 25984 1 521 . 1 1 45 45 ASP CA C 13 53.098 0.000 . . . . . A 45 ASP CA . 25984 1 522 . 1 1 45 45 ASP CB C 13 41.236 0.021 . . . . . A 45 ASP CB . 25984 1 523 . 1 1 45 45 ASP N N 15 126.401 0.000 . . . . . A 45 ASP N . 25984 1 524 . 1 1 46 46 LEU H H 1 8.447 0.014 . . . . . A 46 LEU H . 25984 1 525 . 1 1 46 46 LEU HA H 1 4.394 0.010 . . . . . A 46 LEU HA . 25984 1 526 . 1 1 46 46 LEU HB2 H 1 1.906 0.005 . . . . . A 46 LEU HB2 . 25984 1 527 . 1 1 46 46 LEU HB3 H 1 2.129 0.003 . . . . . A 46 LEU HB3 . 25984 1 528 . 1 1 46 46 LEU HG H 1 1.524 0.004 . . . . . A 46 LEU HG . 25984 1 529 . 1 1 46 46 LEU HD11 H 1 0.535 0.009 . . . . . A 46 LEU HD11 . 25984 1 530 . 1 1 46 46 LEU HD12 H 1 0.535 0.009 . . . . . A 46 LEU HD12 . 25984 1 531 . 1 1 46 46 LEU HD13 H 1 0.535 0.009 . . . . . A 46 LEU HD13 . 25984 1 532 . 1 1 46 46 LEU HD21 H 1 0.677 0.013 . . . . . A 46 LEU HD21 . 25984 1 533 . 1 1 46 46 LEU HD22 H 1 0.677 0.013 . . . . . A 46 LEU HD22 . 25984 1 534 . 1 1 46 46 LEU HD23 H 1 0.677 0.013 . . . . . A 46 LEU HD23 . 25984 1 535 . 1 1 46 46 LEU CA C 13 54.872 0.091 . . . . . A 46 LEU CA . 25984 1 536 . 1 1 46 46 LEU CB C 13 40.735 0.000 . . . . . A 46 LEU CB . 25984 1 537 . 1 1 46 46 LEU CG C 13 27.242 0.000 . . . . . A 46 LEU CG . 25984 1 538 . 1 1 46 46 LEU CD1 C 13 26.208 0.000 . . . . . A 46 LEU CD1 . 25984 1 539 . 1 1 46 46 LEU CD2 C 13 24.022 0.000 . . . . . A 46 LEU CD2 . 25984 1 540 . 1 1 46 46 LEU N N 15 123.689 0.000 . . . . . A 46 LEU N . 25984 1 541 . 1 1 47 47 LYS H H 1 8.655 0.003 . . . . . A 47 LYS H . 25984 1 542 . 1 1 47 47 LYS HA H 1 4.083 0.004 . . . . . A 47 LYS HA . 25984 1 543 . 1 1 47 47 LYS HB2 H 1 1.716 0.006 . . . . . A 47 LYS HB2 . 25984 1 544 . 1 1 47 47 LYS HB3 H 1 1.862 0.007 . . . . . A 47 LYS HB3 . 25984 1 545 . 1 1 47 47 LYS HG2 H 1 0.914 0.003 . . . . . A 47 LYS HG2 . 25984 1 546 . 1 1 47 47 LYS HG3 H 1 0.956 0.008 . . . . . A 47 LYS HG3 . 25984 1 547 . 1 1 47 47 LYS HD2 H 1 1.443 0.005 . . . . . A 47 LYS HD2 . 25984 1 548 . 1 1 47 47 LYS HE2 H 1 2.636 0.003 . . . . . A 47 LYS HE2 . 25984 1 549 . 1 1 47 47 LYS CA C 13 59.619 0.000 . . . . . A 47 LYS CA . 25984 1 550 . 1 1 47 47 LYS CB C 13 31.842 0.147 . . . . . A 47 LYS CB . 25984 1 551 . 1 1 47 47 LYS CG C 13 26.271 0.000 . . . . . A 47 LYS CG . 25984 1 552 . 1 1 47 47 LYS CD C 13 29.324 0.000 . . . . . A 47 LYS CD . 25984 1 553 . 1 1 47 47 LYS CE C 13 41.846 0.000 . . . . . A 47 LYS CE . 25984 1 554 . 1 1 47 47 LYS N N 15 120.924 0.000 . . . . . A 47 LYS N . 25984 1 555 . 1 1 48 48 GLN H H 1 8.458 0.007 . . . . . A 48 GLN H . 25984 1 556 . 1 1 48 48 GLN HA H 1 3.973 0.007 . . . . . A 48 GLN HA . 25984 1 557 . 1 1 48 48 GLN HB2 H 1 1.339 0.009 . . . . . A 48 GLN HB2 . 25984 1 558 . 1 1 48 48 GLN HB3 H 1 1.940 0.008 . . . . . A 48 GLN HB3 . 25984 1 559 . 1 1 48 48 GLN HG2 H 1 1.935 0.007 . . . . . A 48 GLN HG2 . 25984 1 560 . 1 1 48 48 GLN HG3 H 1 2.257 0.007 . . . . . A 48 GLN HG3 . 25984 1 561 . 1 1 48 48 GLN HE21 H 1 6.731 0.002 . . . . . A 48 GLN HE21 . 25984 1 562 . 1 1 48 48 GLN HE22 H 1 7.494 0.005 . . . . . A 48 GLN HE22 . 25984 1 563 . 1 1 48 48 GLN CA C 13 55.509 0.000 . . . . . A 48 GLN CA . 25984 1 564 . 1 1 48 48 GLN CB C 13 30.681 0.000 . . . . . A 48 GLN CB . 25984 1 565 . 1 1 48 48 GLN CG C 13 34.883 0.000 . . . . . A 48 GLN CG . 25984 1 566 . 1 1 48 48 GLN N N 15 116.339 0.000 . . . . . A 48 GLN N . 25984 1 567 . 1 1 48 48 GLN NE2 N 15 112.301 0.000 . . . . . A 48 GLN NE2 . 25984 1 568 . 1 1 49 49 LEU H H 1 7.315 0.007 . . . . . A 49 LEU H . 25984 1 569 . 1 1 49 49 LEU HA H 1 3.600 0.012 . . . . . A 49 LEU HA . 25984 1 570 . 1 1 49 49 LEU HB2 H 1 2.080 0.007 . . . . . A 49 LEU HB2 . 25984 1 571 . 1 1 49 49 LEU HB3 H 1 1.000 0.010 . . . . . A 49 LEU HB3 . 25984 1 572 . 1 1 49 49 LEU HG H 1 1.136 0.001 . . . . . A 49 LEU HG . 25984 1 573 . 1 1 49 49 LEU HD11 H 1 0.658 0.004 . . . . . A 49 LEU HD11 . 25984 1 574 . 1 1 49 49 LEU HD12 H 1 0.658 0.004 . . . . . A 49 LEU HD12 . 25984 1 575 . 1 1 49 49 LEU HD13 H 1 0.658 0.004 . . . . . A 49 LEU HD13 . 25984 1 576 . 1 1 49 49 LEU HD21 H 1 0.629 0.006 . . . . . A 49 LEU HD21 . 25984 1 577 . 1 1 49 49 LEU HD22 H 1 0.629 0.006 . . . . . A 49 LEU HD22 . 25984 1 578 . 1 1 49 49 LEU HD23 H 1 0.629 0.006 . . . . . A 49 LEU HD23 . 25984 1 579 . 1 1 49 49 LEU CA C 13 55.300 0.032 . . . . . A 49 LEU CA . 25984 1 580 . 1 1 49 49 LEU CB C 13 36.623 0.117 . . . . . A 49 LEU CB . 25984 1 581 . 1 1 49 49 LEU CG C 13 26.309 0.000 . . . . . A 49 LEU CG . 25984 1 582 . 1 1 49 49 LEU CD1 C 13 22.060 0.000 . . . . . A 49 LEU CD1 . 25984 1 583 . 1 1 49 49 LEU CD2 C 13 25.242 0.000 . . . . . A 49 LEU CD2 . 25984 1 584 . 1 1 49 49 LEU N N 15 115.725 0.000 . . . . . A 49 LEU N . 25984 1 585 . 1 1 50 50 LYS H H 1 8.267 0.010 . . . . . A 50 LYS H . 25984 1 586 . 1 1 50 50 LYS HA H 1 4.477 0.003 . . . . . A 50 LYS HA . 25984 1 587 . 1 1 50 50 LYS HB2 H 1 1.359 0.006 . . . . . A 50 LYS HB2 . 25984 1 588 . 1 1 50 50 LYS HB3 H 1 1.661 0.007 . . . . . A 50 LYS HB3 . 25984 1 589 . 1 1 50 50 LYS HG2 H 1 1.130 0.006 . . . . . A 50 LYS HG2 . 25984 1 590 . 1 1 50 50 LYS HG3 H 1 1.061 0.001 . . . . . A 50 LYS HG3 . 25984 1 591 . 1 1 50 50 LYS HD2 H 1 1.430 0.011 . . . . . A 50 LYS HD2 . 25984 1 592 . 1 1 50 50 LYS HD3 H 1 1.529 0.000 . . . . . A 50 LYS HD3 . 25984 1 593 . 1 1 50 50 LYS HE2 H 1 2.753 0.000 . . . . . A 50 LYS HE2 . 25984 1 594 . 1 1 50 50 LYS HE3 H 1 2.737 0.014 . . . . . A 50 LYS HE3 . 25984 1 595 . 1 1 50 50 LYS CA C 13 54.920 0.000 . . . . . A 50 LYS CA . 25984 1 596 . 1 1 50 50 LYS CB C 13 36.896 0.000 . . . . . A 50 LYS CB . 25984 1 597 . 1 1 50 50 LYS CG C 13 23.969 0.000 . . . . . A 50 LYS CG . 25984 1 598 . 1 1 50 50 LYS CD C 13 28.858 0.000 . . . . . A 50 LYS CD . 25984 1 599 . 1 1 50 50 LYS CE C 13 41.573 0.198 . . . . . A 50 LYS CE . 25984 1 600 . 1 1 50 50 LYS N N 15 118.563 0.018 . . . . . A 50 LYS N . 25984 1 601 . 1 1 51 51 VAL H H 1 8.455 0.008 . . . . . A 51 VAL H . 25984 1 602 . 1 1 51 51 VAL HA H 1 5.091 0.004 . . . . . A 51 VAL HA . 25984 1 603 . 1 1 51 51 VAL HB H 1 1.781 0.002 . . . . . A 51 VAL HB . 25984 1 604 . 1 1 51 51 VAL HG11 H 1 0.648 0.005 . . . . . A 51 VAL HG11 . 25984 1 605 . 1 1 51 51 VAL HG12 H 1 0.648 0.005 . . . . . A 51 VAL HG12 . 25984 1 606 . 1 1 51 51 VAL HG13 H 1 0.648 0.005 . . . . . A 51 VAL HG13 . 25984 1 607 . 1 1 51 51 VAL HG21 H 1 0.739 0.010 . . . . . A 51 VAL HG21 . 25984 1 608 . 1 1 51 51 VAL HG22 H 1 0.739 0.010 . . . . . A 51 VAL HG22 . 25984 1 609 . 1 1 51 51 VAL HG23 H 1 0.739 0.010 . . . . . A 51 VAL HG23 . 25984 1 610 . 1 1 51 51 VAL CA C 13 60.576 0.000 . . . . . A 51 VAL CA . 25984 1 611 . 1 1 51 51 VAL CB C 13 34.194 0.000 . . . . . A 51 VAL CB . 25984 1 612 . 1 1 51 51 VAL CG1 C 13 21.581 0.149 . . . . . A 51 VAL CG1 . 25984 1 613 . 1 1 51 51 VAL CG2 C 13 21.232 0.000 . . . . . A 51 VAL CG2 . 25984 1 614 . 1 1 51 51 VAL N N 15 123.287 0.000 . . . . . A 51 VAL N . 25984 1 615 . 1 1 52 52 ASP H H 1 8.670 0.002 . . . . . A 52 ASP H . 25984 1 616 . 1 1 52 52 ASP HA H 1 5.057 0.000 . . . . . A 52 ASP HA . 25984 1 617 . 1 1 52 52 ASP HB2 H 1 2.180 0.005 . . . . . A 52 ASP HB2 . 25984 1 618 . 1 1 52 52 ASP HB3 H 1 2.362 0.002 . . . . . A 52 ASP HB3 . 25984 1 619 . 1 1 52 52 ASP CA C 13 52.885 0.000 . . . . . A 52 ASP CA . 25984 1 620 . 1 1 52 52 ASP CB C 13 45.841 0.000 . . . . . A 52 ASP CB . 25984 1 621 . 1 1 52 52 ASP N N 15 124.580 0.000 . . . . . A 52 ASP N . 25984 1 622 . 1 1 53 53 GLN H H 1 8.451 0.005 . . . . . A 53 GLN H . 25984 1 623 . 1 1 53 53 GLN HA H 1 3.099 0.007 . . . . . A 53 GLN HA . 25984 1 624 . 1 1 53 53 GLN HB2 H 1 0.605 0.010 . . . . . A 53 GLN HB2 . 25984 1 625 . 1 1 53 53 GLN HB3 H 1 1.264 0.008 . . . . . A 53 GLN HB3 . 25984 1 626 . 1 1 53 53 GLN HG2 H 1 1.142 0.006 . . . . . A 53 GLN HG2 . 25984 1 627 . 1 1 53 53 GLN HG3 H 1 1.267 0.007 . . . . . A 53 GLN HG3 . 25984 1 628 . 1 1 53 53 GLN HE21 H 1 6.942 0.004 . . . . . A 53 GLN HE21 . 25984 1 629 . 1 1 53 53 GLN HE22 H 1 6.591 0.001 . . . . . A 53 GLN HE22 . 25984 1 630 . 1 1 53 53 GLN CA C 13 56.831 0.000 . . . . . A 53 GLN CA . 25984 1 631 . 1 1 53 53 GLN CB C 13 28.287 0.000 . . . . . A 53 GLN CB . 25984 1 632 . 1 1 53 53 GLN CG C 13 33.425 0.000 . . . . . A 53 GLN CG . 25984 1 633 . 1 1 53 53 GLN N N 15 123.610 0.072 . . . . . A 53 GLN N . 25984 1 634 . 1 1 53 53 GLN NE2 N 15 111.216 0.000 . . . . . A 53 GLN NE2 . 25984 1 635 . 1 1 54 54 GLY H H 1 8.009 0.015 . . . . . A 54 GLY H . 25984 1 636 . 1 1 54 54 GLY HA2 H 1 3.263 0.006 . . . . . A 54 GLY HA2 . 25984 1 637 . 1 1 54 54 GLY HA3 H 1 4.091 0.007 . . . . . A 54 GLY HA3 . 25984 1 638 . 1 1 54 54 GLY CA C 13 43.820 0.000 . . . . . A 54 GLY CA . 25984 1 639 . 1 1 54 54 GLY N N 15 113.383 0.000 . . . . . A 54 GLY N . 25984 1 640 . 1 1 55 55 VAL H H 1 7.678 0.007 . . . . . A 55 VAL H . 25984 1 641 . 1 1 55 55 VAL HA H 1 4.134 0.007 . . . . . A 55 VAL HA . 25984 1 642 . 1 1 55 55 VAL HB H 1 1.495 0.011 . . . . . A 55 VAL HB . 25984 1 643 . 1 1 55 55 VAL HG11 H 1 0.495 0.010 . . . . . A 55 VAL HG11 . 25984 1 644 . 1 1 55 55 VAL HG12 H 1 0.495 0.010 . . . . . A 55 VAL HG12 . 25984 1 645 . 1 1 55 55 VAL HG13 H 1 0.495 0.010 . . . . . A 55 VAL HG13 . 25984 1 646 . 1 1 55 55 VAL CA C 13 60.176 0.000 . . . . . A 55 VAL CA . 25984 1 647 . 1 1 55 55 VAL CB C 13 33.823 0.000 . . . . . A 55 VAL CB . 25984 1 648 . 1 1 55 55 VAL CG1 C 13 21.078 0.138 . . . . . A 55 VAL CG1 . 25984 1 649 . 1 1 55 55 VAL N N 15 115.874 0.000 . . . . . A 55 VAL N . 25984 1 650 . 1 1 56 56 PHE H H 1 8.908 0.011 . . . . . A 56 PHE H . 25984 1 651 . 1 1 56 56 PHE HA H 1 4.325 0.005 . . . . . A 56 PHE HA . 25984 1 652 . 1 1 56 56 PHE HB2 H 1 2.426 0.007 . . . . . A 56 PHE HB2 . 25984 1 653 . 1 1 56 56 PHE HB3 H 1 2.761 0.001 . . . . . A 56 PHE HB3 . 25984 1 654 . 1 1 56 56 PHE HD1 H 1 6.694 0.012 . . . . . A 56 PHE HD1 . 25984 1 655 . 1 1 56 56 PHE HD2 H 1 6.694 0.012 . . . . . A 56 PHE HD2 . 25984 1 656 . 1 1 56 56 PHE HE1 H 1 7.134 0.002 . . . . . A 56 PHE HE1 . 25984 1 657 . 1 1 56 56 PHE HE2 H 1 7.134 0.002 . . . . . A 56 PHE HE2 . 25984 1 658 . 1 1 56 56 PHE HZ H 1 7.188 0.000 . . . . . A 56 PHE HZ . 25984 1 659 . 1 1 56 56 PHE CA C 13 56.722 0.000 . . . . . A 56 PHE CA . 25984 1 660 . 1 1 56 56 PHE CB C 13 40.746 0.127 . . . . . A 56 PHE CB . 25984 1 661 . 1 1 56 56 PHE CD1 C 13 131.766 0.000 . . . . . A 56 PHE CD1 . 25984 1 662 . 1 1 56 56 PHE CE1 C 13 130.402 0.000 . . . . . A 56 PHE CE1 . 25984 1 663 . 1 1 56 56 PHE CZ C 13 129.032 0.000 . . . . . A 56 PHE CZ . 25984 1 664 . 1 1 56 56 PHE N N 15 130.793 0.000 . . . . . A 56 PHE N . 25984 1 665 . 1 1 57 57 ALA H H 1 7.845 0.002 . . . . . A 57 ALA H . 25984 1 666 . 1 1 57 57 ALA HA H 1 3.756 0.009 . . . . . A 57 ALA HA . 25984 1 667 . 1 1 57 57 ALA HB1 H 1 0.918 0.005 . . . . . A 57 ALA HB1 . 25984 1 668 . 1 1 57 57 ALA HB2 H 1 0.918 0.005 . . . . . A 57 ALA HB2 . 25984 1 669 . 1 1 57 57 ALA HB3 H 1 0.918 0.005 . . . . . A 57 ALA HB3 . 25984 1 670 . 1 1 57 57 ALA CA C 13 54.653 0.055 . . . . . A 57 ALA CA . 25984 1 671 . 1 1 57 57 ALA CB C 13 18.212 0.000 . . . . . A 57 ALA CB . 25984 1 672 . 1 1 57 57 ALA N N 15 127.787 0.000 . . . . . A 57 ALA N . 25984 1 673 . 1 1 58 58 SER H H 1 6.529 0.009 . . . . . A 58 SER H . 25984 1 674 . 1 1 58 58 SER HA H 1 4.514 0.006 . . . . . A 58 SER HA . 25984 1 675 . 1 1 58 58 SER HB2 H 1 3.577 0.008 . . . . . A 58 SER HB2 . 25984 1 676 . 1 1 58 58 SER HB3 H 1 3.450 0.007 . . . . . A 58 SER HB3 . 25984 1 677 . 1 1 58 58 SER CA C 13 54.834 0.000 . . . . . A 58 SER CA . 25984 1 678 . 1 1 58 58 SER CB C 13 62.517 0.000 . . . . . A 58 SER CB . 25984 1 679 . 1 1 58 58 SER N N 15 108.448 0.000 . . . . . A 58 SER N . 25984 1 680 . 1 1 59 59 PRO HA H 1 4.045 0.006 . . . . . A 59 PRO HA . 25984 1 681 . 1 1 59 59 PRO HB2 H 1 1.702 0.008 . . . . . A 59 PRO HB2 . 25984 1 682 . 1 1 59 59 PRO HB3 H 1 1.856 0.010 . . . . . A 59 PRO HB3 . 25984 1 683 . 1 1 59 59 PRO HG2 H 1 1.898 0.000 . . . . . A 59 PRO HG2 . 25984 1 684 . 1 1 59 59 PRO HG3 H 1 1.719 0.007 . . . . . A 59 PRO HG3 . 25984 1 685 . 1 1 59 59 PRO HD2 H 1 3.338 0.006 . . . . . A 59 PRO HD2 . 25984 1 686 . 1 1 59 59 PRO HD3 H 1 3.544 0.000 . . . . . A 59 PRO HD3 . 25984 1 687 . 1 1 59 59 PRO CA C 13 62.822 0.000 . . . . . A 59 PRO CA . 25984 1 688 . 1 1 59 59 PRO CB C 13 31.707 0.120 . . . . . A 59 PRO CB . 25984 1 689 . 1 1 59 59 PRO CG C 13 26.932 0.000 . . . . . A 59 PRO CG . 25984 1 690 . 1 1 59 59 PRO CD C 13 49.326 0.000 . . . . . A 59 PRO CD . 25984 1 691 . 1 1 60 60 ASP H H 1 8.431 0.012 . . . . . A 60 ASP H . 25984 1 692 . 1 1 60 60 ASP HA H 1 4.237 0.004 . . . . . A 60 ASP HA . 25984 1 693 . 1 1 60 60 ASP HB2 H 1 1.871 0.006 . . . . . A 60 ASP HB2 . 25984 1 694 . 1 1 60 60 ASP HB3 H 1 2.325 0.006 . . . . . A 60 ASP HB3 . 25984 1 695 . 1 1 60 60 ASP CA C 13 57.622 0.000 . . . . . A 60 ASP CA . 25984 1 696 . 1 1 60 60 ASP CB C 13 42.889 0.000 . . . . . A 60 ASP CB . 25984 1 697 . 1 1 60 60 ASP N N 15 120.288 0.000 . . . . . A 60 ASP N . 25984 1 698 . 1 1 61 61 VAL H H 1 7.085 0.007 . . . . . A 61 VAL H . 25984 1 699 . 1 1 61 61 VAL HA H 1 4.446 0.009 . . . . . A 61 VAL HA . 25984 1 700 . 1 1 61 61 VAL HB H 1 1.146 0.005 . . . . . A 61 VAL HB . 25984 1 701 . 1 1 61 61 VAL HG11 H 1 0.518 0.005 . . . . . A 61 VAL HG11 . 25984 1 702 . 1 1 61 61 VAL HG12 H 1 0.518 0.005 . . . . . A 61 VAL HG12 . 25984 1 703 . 1 1 61 61 VAL HG13 H 1 0.518 0.005 . . . . . A 61 VAL HG13 . 25984 1 704 . 1 1 61 61 VAL HG21 H 1 0.715 0.010 . . . . . A 61 VAL HG21 . 25984 1 705 . 1 1 61 61 VAL HG22 H 1 0.715 0.010 . . . . . A 61 VAL HG22 . 25984 1 706 . 1 1 61 61 VAL HG23 H 1 0.715 0.010 . . . . . A 61 VAL HG23 . 25984 1 707 . 1 1 61 61 VAL CA C 13 60.422 0.000 . . . . . A 61 VAL CA . 25984 1 708 . 1 1 61 61 VAL CB C 13 37.250 0.000 . . . . . A 61 VAL CB . 25984 1 709 . 1 1 61 61 VAL CG1 C 13 23.191 0.000 . . . . . A 61 VAL CG1 . 25984 1 710 . 1 1 61 61 VAL CG2 C 13 22.671 0.000 . . . . . A 61 VAL CG2 . 25984 1 711 . 1 1 61 61 VAL N N 15 116.139 0.000 . . . . . A 61 VAL N . 25984 1 712 . 1 1 62 62 THR H H 1 8.532 0.003 . . . . . A 62 THR H . 25984 1 713 . 1 1 62 62 THR HA H 1 5.005 0.012 . . . . . A 62 THR HA . 25984 1 714 . 1 1 62 62 THR HB H 1 3.719 0.001 . . . . . A 62 THR HB . 25984 1 715 . 1 1 62 62 THR HG21 H 1 0.877 0.005 . . . . . A 62 THR HG21 . 25984 1 716 . 1 1 62 62 THR HG22 H 1 0.877 0.005 . . . . . A 62 THR HG22 . 25984 1 717 . 1 1 62 62 THR HG23 H 1 0.877 0.005 . . . . . A 62 THR HG23 . 25984 1 718 . 1 1 62 62 THR CA C 13 62.144 0.000 . . . . . A 62 THR CA . 25984 1 719 . 1 1 62 62 THR CB C 13 69.922 0.000 . . . . . A 62 THR CB . 25984 1 720 . 1 1 62 62 THR CG2 C 13 20.769 0.000 . . . . . A 62 THR CG2 . 25984 1 721 . 1 1 62 62 THR N N 15 123.173 0.000 . . . . . A 62 THR N . 25984 1 722 . 1 1 63 63 VAL H H 1 9.272 0.010 . . . . . A 63 VAL H . 25984 1 723 . 1 1 63 63 VAL HA H 1 4.623 0.006 . . . . . A 63 VAL HA . 25984 1 724 . 1 1 63 63 VAL HB H 1 1.864 0.008 . . . . . A 63 VAL HB . 25984 1 725 . 1 1 63 63 VAL HG11 H 1 0.598 0.005 . . . . . A 63 VAL HG11 . 25984 1 726 . 1 1 63 63 VAL HG12 H 1 0.598 0.005 . . . . . A 63 VAL HG12 . 25984 1 727 . 1 1 63 63 VAL HG13 H 1 0.598 0.005 . . . . . A 63 VAL HG13 . 25984 1 728 . 1 1 63 63 VAL HG21 H 1 0.719 0.019 . . . . . A 63 VAL HG21 . 25984 1 729 . 1 1 63 63 VAL HG22 H 1 0.719 0.019 . . . . . A 63 VAL HG22 . 25984 1 730 . 1 1 63 63 VAL HG23 H 1 0.719 0.019 . . . . . A 63 VAL HG23 . 25984 1 731 . 1 1 63 63 VAL CA C 13 60.543 0.000 . . . . . A 63 VAL CA . 25984 1 732 . 1 1 63 63 VAL CB C 13 34.502 0.000 . . . . . A 63 VAL CB . 25984 1 733 . 1 1 63 63 VAL CG1 C 13 21.302 0.000 . . . . . A 63 VAL CG1 . 25984 1 734 . 1 1 63 63 VAL CG2 C 13 21.232 0.000 . . . . . A 63 VAL CG2 . 25984 1 735 . 1 1 63 63 VAL N N 15 127.644 0.000 . . . . . A 63 VAL N . 25984 1 736 . 1 1 64 64 THR H H 1 8.692 0.010 . . . . . A 64 THR H . 25984 1 737 . 1 1 64 64 THR HA H 1 5.548 0.001 . . . . . A 64 THR HA . 25984 1 738 . 1 1 64 64 THR HB H 1 3.866 0.004 . . . . . A 64 THR HB . 25984 1 739 . 1 1 64 64 THR HG21 H 1 1.020 0.004 . . . . . A 64 THR HG21 . 25984 1 740 . 1 1 64 64 THR HG22 H 1 1.020 0.004 . . . . . A 64 THR HG22 . 25984 1 741 . 1 1 64 64 THR HG23 H 1 1.020 0.004 . . . . . A 64 THR HG23 . 25984 1 742 . 1 1 64 64 THR CA C 13 61.643 0.000 . . . . . A 64 THR CA . 25984 1 743 . 1 1 64 64 THR CB C 13 69.822 0.000 . . . . . A 64 THR CB . 25984 1 744 . 1 1 64 64 THR CG2 C 13 21.073 0.000 . . . . . A 64 THR CG2 . 25984 1 745 . 1 1 64 64 THR N N 15 123.445 0.000 . . . . . A 64 THR N . 25984 1 746 . 1 1 65 65 VAL H H 1 8.706 0.002 . . . . . A 65 VAL H . 25984 1 747 . 1 1 65 65 VAL HA H 1 4.581 0.010 . . . . . A 65 VAL HA . 25984 1 748 . 1 1 65 65 VAL HB H 1 1.776 0.004 . . . . . A 65 VAL HB . 25984 1 749 . 1 1 65 65 VAL HG11 H 1 0.678 0.002 . . . . . A 65 VAL HG11 . 25984 1 750 . 1 1 65 65 VAL HG12 H 1 0.678 0.002 . . . . . A 65 VAL HG12 . 25984 1 751 . 1 1 65 65 VAL HG13 H 1 0.678 0.002 . . . . . A 65 VAL HG13 . 25984 1 752 . 1 1 65 65 VAL HG21 H 1 0.895 0.004 . . . . . A 65 VAL HG21 . 25984 1 753 . 1 1 65 65 VAL HG22 H 1 0.895 0.004 . . . . . A 65 VAL HG22 . 25984 1 754 . 1 1 65 65 VAL HG23 H 1 0.895 0.004 . . . . . A 65 VAL HG23 . 25984 1 755 . 1 1 65 65 VAL CA C 13 59.422 0.000 . . . . . A 65 VAL CA . 25984 1 756 . 1 1 65 65 VAL CB C 13 35.090 0.000 . . . . . A 65 VAL CB . 25984 1 757 . 1 1 65 65 VAL CG1 C 13 19.293 0.000 . . . . . A 65 VAL CG1 . 25984 1 758 . 1 1 65 65 VAL CG2 C 13 20.958 0.000 . . . . . A 65 VAL CG2 . 25984 1 759 . 1 1 65 65 VAL N N 15 126.206 0.257 . . . . . A 65 VAL N . 25984 1 760 . 1 1 66 66 GLY H H 1 9.675 0.013 . . . . . A 66 GLY H . 25984 1 761 . 1 1 66 66 GLY HA2 H 1 3.936 0.005 . . . . . A 66 GLY HA2 . 25984 1 762 . 1 1 66 66 GLY HA3 H 1 4.429 0.007 . . . . . A 66 GLY HA3 . 25984 1 763 . 1 1 66 66 GLY CA C 13 44.882 0.000 . . . . . A 66 GLY CA . 25984 1 764 . 1 1 66 66 GLY N N 15 115.596 0.000 . . . . . A 66 GLY N . 25984 1 765 . 1 1 67 67 LEU H H 1 8.260 0.010 . . . . . A 67 LEU H . 25984 1 766 . 1 1 67 67 LEU HA H 1 3.586 0.007 . . . . . A 67 LEU HA . 25984 1 767 . 1 1 67 67 LEU HB2 H 1 1.143 0.010 . . . . . A 67 LEU HB2 . 25984 1 768 . 1 1 67 67 LEU HB3 H 1 1.679 0.007 . . . . . A 67 LEU HB3 . 25984 1 769 . 1 1 67 67 LEU HG H 1 1.283 0.005 . . . . . A 67 LEU HG . 25984 1 770 . 1 1 67 67 LEU HD11 H 1 0.568 0.017 . . . . . A 67 LEU HD11 . 25984 1 771 . 1 1 67 67 LEU HD12 H 1 0.568 0.017 . . . . . A 67 LEU HD12 . 25984 1 772 . 1 1 67 67 LEU HD13 H 1 0.568 0.017 . . . . . A 67 LEU HD13 . 25984 1 773 . 1 1 67 67 LEU HD21 H 1 0.773 0.029 . . . . . A 67 LEU HD21 . 25984 1 774 . 1 1 67 67 LEU HD22 H 1 0.773 0.029 . . . . . A 67 LEU HD22 . 25984 1 775 . 1 1 67 67 LEU HD23 H 1 0.773 0.029 . . . . . A 67 LEU HD23 . 25984 1 776 . 1 1 67 67 LEU CA C 13 58.735 0.000 . . . . . A 67 LEU CA . 25984 1 777 . 1 1 67 67 LEU CB C 13 42.054 0.028 . . . . . A 67 LEU CB . 25984 1 778 . 1 1 67 67 LEU CG C 13 26.518 0.240 . . . . . A 67 LEU CG . 25984 1 779 . 1 1 67 67 LEU CD1 C 13 22.527 0.077 . . . . . A 67 LEU CD1 . 25984 1 780 . 1 1 67 67 LEU CD2 C 13 24.022 0.000 . . . . . A 67 LEU CD2 . 25984 1 781 . 1 1 67 67 LEU N N 15 124.230 0.000 . . . . . A 67 LEU N . 25984 1 782 . 1 1 68 68 GLU H H 1 8.908 0.001 . . . . . A 68 GLU H . 25984 1 783 . 1 1 68 68 GLU HA H 1 3.665 0.010 . . . . . A 68 GLU HA . 25984 1 784 . 1 1 68 68 GLU HB2 H 1 1.770 0.003 . . . . . A 68 GLU HB2 . 25984 1 785 . 1 1 68 68 GLU HB3 H 1 1.844 0.007 . . . . . A 68 GLU HB3 . 25984 1 786 . 1 1 68 68 GLU HG2 H 1 2.127 0.011 . . . . . A 68 GLU HG2 . 25984 1 787 . 1 1 68 68 GLU HG3 H 1 2.064 0.007 . . . . . A 68 GLU HG3 . 25984 1 788 . 1 1 68 68 GLU CA C 13 59.968 0.112 . . . . . A 68 GLU CA . 25984 1 789 . 1 1 68 68 GLU CB C 13 28.186 0.000 . . . . . A 68 GLU CB . 25984 1 790 . 1 1 68 68 GLU CG C 13 36.415 0.000 . . . . . A 68 GLU CG . 25984 1 791 . 1 1 68 68 GLU N N 15 115.973 0.000 . . . . . A 68 GLU N . 25984 1 792 . 1 1 69 69 ASP H H 1 7.376 0.008 . . . . . A 69 ASP H . 25984 1 793 . 1 1 69 69 ASP HA H 1 4.326 0.006 . . . . . A 69 ASP HA . 25984 1 794 . 1 1 69 69 ASP HB2 H 1 1.901 0.009 . . . . . A 69 ASP HB2 . 25984 1 795 . 1 1 69 69 ASP HB3 H 1 2.408 0.009 . . . . . A 69 ASP HB3 . 25984 1 796 . 1 1 69 69 ASP CA C 13 57.031 0.000 . . . . . A 69 ASP CA . 25984 1 797 . 1 1 69 69 ASP CB C 13 40.071 0.000 . . . . . A 69 ASP CB . 25984 1 798 . 1 1 69 69 ASP N N 15 119.103 0.000 . . . . . A 69 ASP N . 25984 1 799 . 1 1 70 70 MET H H 1 8.052 0.009 . . . . . A 70 MET H . 25984 1 800 . 1 1 70 70 MET HA H 1 3.647 0.005 . . . . . A 70 MET HA . 25984 1 801 . 1 1 70 70 MET HB2 H 1 2.112 0.013 . . . . . A 70 MET HB2 . 25984 1 802 . 1 1 70 70 MET HG2 H 1 2.245 0.003 . . . . . A 70 MET HG2 . 25984 1 803 . 1 1 70 70 MET HG3 H 1 2.301 0.007 . . . . . A 70 MET HG3 . 25984 1 804 . 1 1 70 70 MET HE1 H 1 1.617 0.000 . . . . . A 70 MET HE1 . 25984 1 805 . 1 1 70 70 MET HE2 H 1 1.617 0.000 . . . . . A 70 MET HE2 . 25984 1 806 . 1 1 70 70 MET HE3 H 1 1.617 0.000 . . . . . A 70 MET HE3 . 25984 1 807 . 1 1 70 70 MET CA C 13 59.754 0.008 . . . . . A 70 MET CA . 25984 1 808 . 1 1 70 70 MET CB C 13 32.548 0.000 . . . . . A 70 MET CB . 25984 1 809 . 1 1 70 70 MET CG C 13 31.992 0.000 . . . . . A 70 MET CG . 25984 1 810 . 1 1 70 70 MET CE C 13 18.055 0.000 . . . . . A 70 MET CE . 25984 1 811 . 1 1 70 70 MET N N 15 119.203 0.000 . . . . . A 70 MET N . 25984 1 812 . 1 1 71 71 LEU H H 1 8.268 0.016 . . . . . A 71 LEU H . 25984 1 813 . 1 1 71 71 LEU HA H 1 3.742 0.002 . . . . . A 71 LEU HA . 25984 1 814 . 1 1 71 71 LEU HB2 H 1 1.251 0.003 . . . . . A 71 LEU HB2 . 25984 1 815 . 1 1 71 71 LEU HB3 H 1 1.674 0.007 . . . . . A 71 LEU HB3 . 25984 1 816 . 1 1 71 71 LEU HG H 1 1.483 0.004 . . . . . A 71 LEU HG . 25984 1 817 . 1 1 71 71 LEU HD11 H 1 0.589 0.005 . . . . . A 71 LEU HD11 . 25984 1 818 . 1 1 71 71 LEU HD12 H 1 0.589 0.005 . . . . . A 71 LEU HD12 . 25984 1 819 . 1 1 71 71 LEU HD13 H 1 0.589 0.005 . . . . . A 71 LEU HD13 . 25984 1 820 . 1 1 71 71 LEU HD21 H 1 0.602 0.013 . . . . . A 71 LEU HD21 . 25984 1 821 . 1 1 71 71 LEU HD22 H 1 0.602 0.013 . . . . . A 71 LEU HD22 . 25984 1 822 . 1 1 71 71 LEU HD23 H 1 0.602 0.013 . . . . . A 71 LEU HD23 . 25984 1 823 . 1 1 71 71 LEU CA C 13 57.450 0.000 . . . . . A 71 LEU CA . 25984 1 824 . 1 1 71 71 LEU CB C 13 40.715 0.089 . . . . . A 71 LEU CB . 25984 1 825 . 1 1 71 71 LEU CG C 13 26.692 0.000 . . . . . A 71 LEU CG . 25984 1 826 . 1 1 71 71 LEU CD1 C 13 22.418 0.000 . . . . . A 71 LEU CD1 . 25984 1 827 . 1 1 71 71 LEU CD2 C 13 25.279 0.031 . . . . . A 71 LEU CD2 . 25984 1 828 . 1 1 71 71 LEU N N 15 118.463 0.099 . . . . . A 71 LEU N . 25984 1 829 . 1 1 72 72 ALA H H 1 7.599 0.007 . . . . . A 72 ALA H . 25984 1 830 . 1 1 72 72 ALA HA H 1 3.975 0.002 . . . . . A 72 ALA HA . 25984 1 831 . 1 1 72 72 ALA HB1 H 1 1.282 0.011 . . . . . A 72 ALA HB1 . 25984 1 832 . 1 1 72 72 ALA HB2 H 1 1.282 0.011 . . . . . A 72 ALA HB2 . 25984 1 833 . 1 1 72 72 ALA HB3 H 1 1.282 0.011 . . . . . A 72 ALA HB3 . 25984 1 834 . 1 1 72 72 ALA CA C 13 54.722 0.000 . . . . . A 72 ALA CA . 25984 1 835 . 1 1 72 72 ALA CB C 13 18.469 0.000 . . . . . A 72 ALA CB . 25984 1 836 . 1 1 72 72 ALA N N 15 124.530 0.000 . . . . . A 72 ALA N . 25984 1 837 . 1 1 73 73 ILE H H 1 7.949 0.004 . . . . . A 73 ILE H . 25984 1 838 . 1 1 73 73 ILE HA H 1 4.354 0.006 . . . . . A 73 ILE HA . 25984 1 839 . 1 1 73 73 ILE HB H 1 1.584 0.002 . . . . . A 73 ILE HB . 25984 1 840 . 1 1 73 73 ILE HG12 H 1 1.636 0.004 . . . . . A 73 ILE HG12 . 25984 1 841 . 1 1 73 73 ILE HG13 H 1 0.481 0.001 . . . . . A 73 ILE HG13 . 25984 1 842 . 1 1 73 73 ILE HG21 H 1 0.607 0.000 . . . . . A 73 ILE HG21 . 25984 1 843 . 1 1 73 73 ILE HG22 H 1 0.607 0.000 . . . . . A 73 ILE HG22 . 25984 1 844 . 1 1 73 73 ILE HG23 H 1 0.607 0.000 . . . . . A 73 ILE HG23 . 25984 1 845 . 1 1 73 73 ILE HD11 H 1 0.368 0.007 . . . . . A 73 ILE HD11 . 25984 1 846 . 1 1 73 73 ILE HD12 H 1 0.368 0.007 . . . . . A 73 ILE HD12 . 25984 1 847 . 1 1 73 73 ILE HD13 H 1 0.368 0.007 . . . . . A 73 ILE HD13 . 25984 1 848 . 1 1 73 73 ILE CA C 13 63.527 0.000 . . . . . A 73 ILE CA . 25984 1 849 . 1 1 73 73 ILE CB C 13 38.096 0.000 . . . . . A 73 ILE CB . 25984 1 850 . 1 1 73 73 ILE CG1 C 13 28.409 0.000 . . . . . A 73 ILE CG1 . 25984 1 851 . 1 1 73 73 ILE CG2 C 13 17.666 0.000 . . . . . A 73 ILE CG2 . 25984 1 852 . 1 1 73 73 ILE CD1 C 13 13.640 0.000 . . . . . A 73 ILE CD1 . 25984 1 853 . 1 1 73 73 ILE N N 15 119.784 0.058 . . . . . A 73 ILE N . 25984 1 854 . 1 1 74 74 SER H H 1 8.263 0.003 . . . . . A 74 SER H . 25984 1 855 . 1 1 74 74 SER HA H 1 3.845 0.000 . . . . . A 74 SER HA . 25984 1 856 . 1 1 74 74 SER HB2 H 1 3.658 0.002 . . . . . A 74 SER HB2 . 25984 1 857 . 1 1 74 74 SER CA C 13 61.222 0.000 . . . . . A 74 SER CA . 25984 1 858 . 1 1 74 74 SER CB C 13 63.122 0.000 . . . . . A 74 SER CB . 25984 1 859 . 1 1 74 74 SER N N 15 115.809 0.000 . . . . . A 74 SER N . 25984 1 860 . 1 1 75 75 GLY H H 1 7.961 0.010 . . . . . A 75 GLY H . 25984 1 861 . 1 1 75 75 GLY HA2 H 1 3.581 0.002 . . . . . A 75 GLY HA2 . 25984 1 862 . 1 1 75 75 GLY HA3 H 1 3.993 0.002 . . . . . A 75 GLY HA3 . 25984 1 863 . 1 1 75 75 GLY CA C 13 44.744 0.000 . . . . . A 75 GLY CA . 25984 1 864 . 1 1 75 75 GLY N N 15 105.850 0.000 . . . . . A 75 GLY N . 25984 1 865 . 1 1 76 76 LYS H H 1 7.505 0.020 . . . . . A 76 LYS H . 25984 1 866 . 1 1 76 76 LYS HA H 1 3.859 0.004 . . . . . A 76 LYS HA . 25984 1 867 . 1 1 76 76 LYS HB2 H 1 1.747 0.004 . . . . . A 76 LYS HB2 . 25984 1 868 . 1 1 76 76 LYS HB3 H 1 1.898 0.007 . . . . . A 76 LYS HB3 . 25984 1 869 . 1 1 76 76 LYS HG2 H 1 1.128 0.000 . . . . . A 76 LYS HG2 . 25984 1 870 . 1 1 76 76 LYS HG3 H 1 0.991 0.001 . . . . . A 76 LYS HG3 . 25984 1 871 . 1 1 76 76 LYS HD2 H 1 1.501 0.007 . . . . . A 76 LYS HD2 . 25984 1 872 . 1 1 76 76 LYS HE2 H 1 2.683 0.000 . . . . . A 76 LYS HE2 . 25984 1 873 . 1 1 76 76 LYS HE3 H 1 2.684 0.003 . . . . . A 76 LYS HE3 . 25984 1 874 . 1 1 76 76 LYS CA C 13 57.529 0.178 . . . . . A 76 LYS CA . 25984 1 875 . 1 1 76 76 LYS CB C 13 28.910 0.000 . . . . . A 76 LYS CB . 25984 1 876 . 1 1 76 76 LYS CG C 13 24.832 0.000 . . . . . A 76 LYS CG . 25984 1 877 . 1 1 76 76 LYS CD C 13 28.702 0.000 . . . . . A 76 LYS CD . 25984 1 878 . 1 1 76 76 LYS CE C 13 41.702 0.000 . . . . . A 76 LYS CE . 25984 1 879 . 1 1 76 76 LYS N N 15 112.547 0.102 . . . . . A 76 LYS N . 25984 1 880 . 1 1 77 77 THR H H 1 8.337 0.008 . . . . . A 77 THR H . 25984 1 881 . 1 1 77 77 THR HA H 1 4.220 0.002 . . . . . A 77 THR HA . 25984 1 882 . 1 1 77 77 THR HB H 1 4.159 0.005 . . . . . A 77 THR HB . 25984 1 883 . 1 1 77 77 THR HG21 H 1 0.923 0.003 . . . . . A 77 THR HG21 . 25984 1 884 . 1 1 77 77 THR HG22 H 1 0.923 0.003 . . . . . A 77 THR HG22 . 25984 1 885 . 1 1 77 77 THR HG23 H 1 0.923 0.003 . . . . . A 77 THR HG23 . 25984 1 886 . 1 1 77 77 THR CA C 13 62.022 0.000 . . . . . A 77 THR CA . 25984 1 887 . 1 1 77 77 THR CB C 13 68.458 0.000 . . . . . A 77 THR CB . 25984 1 888 . 1 1 77 77 THR CG2 C 13 21.828 0.000 . . . . . A 77 THR CG2 . 25984 1 889 . 1 1 77 77 THR N N 15 109.020 0.000 . . . . . A 77 THR N . 25984 1 890 . 1 1 78 78 LEU H H 1 6.784 0.019 . . . . . A 78 LEU H . 25984 1 891 . 1 1 78 78 LEU HA H 1 4.525 0.006 . . . . . A 78 LEU HA . 25984 1 892 . 1 1 78 78 LEU HB2 H 1 1.127 0.006 . . . . . A 78 LEU HB2 . 25984 1 893 . 1 1 78 78 LEU HB3 H 1 1.142 0.015 . . . . . A 78 LEU HB3 . 25984 1 894 . 1 1 78 78 LEU HG H 1 1.299 0.000 . . . . . A 78 LEU HG . 25984 1 895 . 1 1 78 78 LEU HD11 H 1 0.701 0.011 . . . . . A 78 LEU HD11 . 25984 1 896 . 1 1 78 78 LEU HD12 H 1 0.701 0.011 . . . . . A 78 LEU HD12 . 25984 1 897 . 1 1 78 78 LEU HD13 H 1 0.701 0.011 . . . . . A 78 LEU HD13 . 25984 1 898 . 1 1 78 78 LEU HD21 H 1 0.592 0.001 . . . . . A 78 LEU HD21 . 25984 1 899 . 1 1 78 78 LEU HD22 H 1 0.592 0.001 . . . . . A 78 LEU HD22 . 25984 1 900 . 1 1 78 78 LEU HD23 H 1 0.592 0.001 . . . . . A 78 LEU HD23 . 25984 1 901 . 1 1 78 78 LEU CA C 13 53.303 0.000 . . . . . A 78 LEU CA . 25984 1 902 . 1 1 78 78 LEU CB C 13 45.964 0.000 . . . . . A 78 LEU CB . 25984 1 903 . 1 1 78 78 LEU CG C 13 26.692 0.000 . . . . . A 78 LEU CG . 25984 1 904 . 1 1 78 78 LEU CD1 C 13 23.146 0.000 . . . . . A 78 LEU CD1 . 25984 1 905 . 1 1 78 78 LEU CD2 C 13 25.908 0.081 . . . . . A 78 LEU CD2 . 25984 1 906 . 1 1 78 78 LEU N N 15 124.130 0.000 . . . . . A 78 LEU N . 25984 1 907 . 1 1 79 79 THR H H 1 8.620 0.010 . . . . . A 79 THR H . 25984 1 908 . 1 1 79 79 THR HA H 1 4.320 0.003 . . . . . A 79 THR HA . 25984 1 909 . 1 1 79 79 THR HB H 1 4.374 0.006 . . . . . A 79 THR HB . 25984 1 910 . 1 1 79 79 THR HG21 H 1 1.014 0.007 . . . . . A 79 THR HG21 . 25984 1 911 . 1 1 79 79 THR HG22 H 1 1.014 0.007 . . . . . A 79 THR HG22 . 25984 1 912 . 1 1 79 79 THR HG23 H 1 1.014 0.007 . . . . . A 79 THR HG23 . 25984 1 913 . 1 1 79 79 THR CA C 13 60.022 0.000 . . . . . A 79 THR CA . 25984 1 914 . 1 1 79 79 THR CB C 13 70.722 0.000 . . . . . A 79 THR CB . 25984 1 915 . 1 1 79 79 THR CG2 C 13 21.744 0.000 . . . . . A 79 THR CG2 . 25984 1 916 . 1 1 79 79 THR N N 15 116.500 0.035 . . . . . A 79 THR N . 25984 1 917 . 1 1 80 80 VAL H H 1 8.953 0.016 . . . . . A 80 VAL H . 25984 1 918 . 1 1 80 80 VAL HA H 1 3.199 0.003 . . . . . A 80 VAL HA . 25984 1 919 . 1 1 80 80 VAL HB H 1 1.800 0.008 . . . . . A 80 VAL HB . 25984 1 920 . 1 1 80 80 VAL HG11 H 1 0.646 0.006 . . . . . A 80 VAL HG11 . 25984 1 921 . 1 1 80 80 VAL HG12 H 1 0.646 0.006 . . . . . A 80 VAL HG12 . 25984 1 922 . 1 1 80 80 VAL HG13 H 1 0.646 0.006 . . . . . A 80 VAL HG13 . 25984 1 923 . 1 1 80 80 VAL HG21 H 1 0.799 0.005 . . . . . A 80 VAL HG21 . 25984 1 924 . 1 1 80 80 VAL HG22 H 1 0.799 0.005 . . . . . A 80 VAL HG22 . 25984 1 925 . 1 1 80 80 VAL HG23 H 1 0.799 0.005 . . . . . A 80 VAL HG23 . 25984 1 926 . 1 1 80 80 VAL CA C 13 66.652 0.000 . . . . . A 80 VAL CA . 25984 1 927 . 1 1 80 80 VAL CB C 13 31.326 0.048 . . . . . A 80 VAL CB . 25984 1 928 . 1 1 80 80 VAL CG1 C 13 21.302 0.000 . . . . . A 80 VAL CG1 . 25984 1 929 . 1 1 80 80 VAL CG2 C 13 23.737 0.000 . . . . . A 80 VAL CG2 . 25984 1 930 . 1 1 80 80 VAL N N 15 121.535 0.000 . . . . . A 80 VAL N . 25984 1 931 . 1 1 81 81 GLY H H 1 8.387 0.001 . . . . . A 81 GLY H . 25984 1 932 . 1 1 81 81 GLY HA2 H 1 3.509 0.000 . . . . . A 81 GLY HA2 . 25984 1 933 . 1 1 81 81 GLY HA3 H 1 3.669 0.003 . . . . . A 81 GLY HA3 . 25984 1 934 . 1 1 81 81 GLY CA C 13 47.105 0.000 . . . . . A 81 GLY CA . 25984 1 935 . 1 1 81 81 GLY N N 15 105.142 0.000 . . . . . A 81 GLY N . 25984 1 936 . 1 1 82 82 ASP H H 1 7.696 0.007 . . . . . A 82 ASP H . 25984 1 937 . 1 1 82 82 ASP HA H 1 4.280 0.010 . . . . . A 82 ASP HA . 25984 1 938 . 1 1 82 82 ASP HB2 H 1 2.273 0.002 . . . . . A 82 ASP HB2 . 25984 1 939 . 1 1 82 82 ASP HB3 H 1 2.516 0.007 . . . . . A 82 ASP HB3 . 25984 1 940 . 1 1 82 82 ASP CA C 13 57.111 0.000 . . . . . A 82 ASP CA . 25984 1 941 . 1 1 82 82 ASP CB C 13 39.430 0.000 . . . . . A 82 ASP CB . 25984 1 942 . 1 1 82 82 ASP N N 15 122.009 0.000 . . . . . A 82 ASP N . 25984 1 943 . 1 1 83 83 ALA H H 1 8.240 0.006 . . . . . A 83 ALA H . 25984 1 944 . 1 1 83 83 ALA HA H 1 3.593 0.013 . . . . . A 83 ALA HA . 25984 1 945 . 1 1 83 83 ALA HB1 H 1 1.172 0.008 . . . . . A 83 ALA HB1 . 25984 1 946 . 1 1 83 83 ALA HB2 H 1 1.172 0.008 . . . . . A 83 ALA HB2 . 25984 1 947 . 1 1 83 83 ALA HB3 H 1 1.172 0.008 . . . . . A 83 ALA HB3 . 25984 1 948 . 1 1 83 83 ALA CA C 13 55.340 0.039 . . . . . A 83 ALA CA . 25984 1 949 . 1 1 83 83 ALA CB C 13 17.600 0.000 . . . . . A 83 ALA CB . 25984 1 950 . 1 1 83 83 ALA N N 15 122.109 0.000 . . . . . A 83 ALA N . 25984 1 951 . 1 1 84 84 LEU H H 1 8.278 0.009 . . . . . A 84 LEU H . 25984 1 952 . 1 1 84 84 LEU HA H 1 3.984 0.003 . . . . . A 84 LEU HA . 25984 1 953 . 1 1 84 84 LEU HB2 H 1 1.398 0.001 . . . . . A 84 LEU HB2 . 25984 1 954 . 1 1 84 84 LEU HB3 H 1 1.685 0.011 . . . . . A 84 LEU HB3 . 25984 1 955 . 1 1 84 84 LEU HG H 1 1.270 0.007 . . . . . A 84 LEU HG . 25984 1 956 . 1 1 84 84 LEU HD11 H 1 0.631 0.004 . . . . . A 84 LEU HD11 . 25984 1 957 . 1 1 84 84 LEU HD12 H 1 0.631 0.004 . . . . . A 84 LEU HD12 . 25984 1 958 . 1 1 84 84 LEU HD13 H 1 0.631 0.004 . . . . . A 84 LEU HD13 . 25984 1 959 . 1 1 84 84 LEU HD21 H 1 0.675 0.009 . . . . . A 84 LEU HD21 . 25984 1 960 . 1 1 84 84 LEU HD22 H 1 0.675 0.009 . . . . . A 84 LEU HD22 . 25984 1 961 . 1 1 84 84 LEU HD23 H 1 0.675 0.009 . . . . . A 84 LEU HD23 . 25984 1 962 . 1 1 84 84 LEU CA C 13 57.823 0.208 . . . . . A 84 LEU CA . 25984 1 963 . 1 1 84 84 LEU CB C 13 41.999 0.000 . . . . . A 84 LEU CB . 25984 1 964 . 1 1 84 84 LEU CG C 13 26.041 0.060 . . . . . A 84 LEU CG . 25984 1 965 . 1 1 84 84 LEU CD1 C 13 25.235 0.000 . . . . . A 84 LEU CD1 . 25984 1 966 . 1 1 84 84 LEU CD2 C 13 24.022 0.000 . . . . . A 84 LEU CD2 . 25984 1 967 . 1 1 84 84 LEU N N 15 118.253 0.000 . . . . . A 84 LEU N . 25984 1 968 . 1 1 85 85 LYS H H 1 7.770 0.005 . . . . . A 85 LYS H . 25984 1 969 . 1 1 85 85 LYS HA H 1 3.855 0.006 . . . . . A 85 LYS HA . 25984 1 970 . 1 1 85 85 LYS HB2 H 1 1.787 0.005 . . . . . A 85 LYS HB2 . 25984 1 971 . 1 1 85 85 LYS HB3 H 1 1.808 0.014 . . . . . A 85 LYS HB3 . 25984 1 972 . 1 1 85 85 LYS HG2 H 1 1.405 0.023 . . . . . A 85 LYS HG2 . 25984 1 973 . 1 1 85 85 LYS HD2 H 1 1.505 0.005 . . . . . A 85 LYS HD2 . 25984 1 974 . 1 1 85 85 LYS HE2 H 1 2.754 0.000 . . . . . A 85 LYS HE2 . 25984 1 975 . 1 1 85 85 LYS CA C 13 59.467 0.000 . . . . . A 85 LYS CA . 25984 1 976 . 1 1 85 85 LYS CB C 13 32.394 0.147 . . . . . A 85 LYS CB . 25984 1 977 . 1 1 85 85 LYS CG C 13 25.091 0.000 . . . . . A 85 LYS CG . 25984 1 978 . 1 1 85 85 LYS CD C 13 28.702 0.000 . . . . . A 85 LYS CD . 25984 1 979 . 1 1 85 85 LYS CE C 13 41.702 0.000 . . . . . A 85 LYS CE . 25984 1 980 . 1 1 85 85 LYS N N 15 121.160 0.000 . . . . . A 85 LYS N . 25984 1 981 . 1 1 86 86 GLN H H 1 7.903 0.011 . . . . . A 86 GLN H . 25984 1 982 . 1 1 86 86 GLN HA H 1 4.074 0.002 . . . . . A 86 GLN HA . 25984 1 983 . 1 1 86 86 GLN HB2 H 1 1.632 0.009 . . . . . A 86 GLN HB2 . 25984 1 984 . 1 1 86 86 GLN HB3 H 1 2.122 0.008 . . . . . A 86 GLN HB3 . 25984 1 985 . 1 1 86 86 GLN HG2 H 1 2.194 0.008 . . . . . A 86 GLN HG2 . 25984 1 986 . 1 1 86 86 GLN HG3 H 1 2.413 0.004 . . . . . A 86 GLN HG3 . 25984 1 987 . 1 1 86 86 GLN HE21 H 1 7.072 0.010 . . . . . A 86 GLN HE21 . 25984 1 988 . 1 1 86 86 GLN HE22 H 1 6.418 0.011 . . . . . A 86 GLN HE22 . 25984 1 989 . 1 1 86 86 GLN CA C 13 55.722 0.000 . . . . . A 86 GLN CA . 25984 1 990 . 1 1 86 86 GLN CB C 13 29.471 0.000 . . . . . A 86 GLN CB . 25984 1 991 . 1 1 86 86 GLN CG C 13 34.045 0.000 . . . . . A 86 GLN CG . 25984 1 992 . 1 1 86 86 GLN N N 15 114.251 0.000 . . . . . A 86 GLN N . 25984 1 993 . 1 1 86 86 GLN NE2 N 15 108.480 0.029 . . . . . A 86 GLN NE2 . 25984 1 994 . 1 1 87 87 GLY H H 1 7.599 0.014 . . . . . A 87 GLY H . 25984 1 995 . 1 1 87 87 GLY HA2 H 1 3.774 0.003 . . . . . A 87 GLY HA2 . 25984 1 996 . 1 1 87 87 GLY HA3 H 1 3.898 0.006 . . . . . A 87 GLY HA3 . 25984 1 997 . 1 1 87 87 GLY CA C 13 46.040 0.000 . . . . . A 87 GLY CA . 25984 1 998 . 1 1 87 87 GLY N N 15 107.263 0.000 . . . . . A 87 GLY N . 25984 1 999 . 1 1 88 88 LYS H H 1 8.009 0.014 . . . . . A 88 LYS H . 25984 1 1000 . 1 1 88 88 LYS HA H 1 3.978 0.000 . . . . . A 88 LYS HA . 25984 1 1001 . 1 1 88 88 LYS HB2 H 1 1.381 0.002 . . . . . A 88 LYS HB2 . 25984 1 1002 . 1 1 88 88 LYS HB3 H 1 1.657 0.004 . . . . . A 88 LYS HB3 . 25984 1 1003 . 1 1 88 88 LYS HG2 H 1 1.292 0.000 . . . . . A 88 LYS HG2 . 25984 1 1004 . 1 1 88 88 LYS HG3 H 1 1.119 0.011 . . . . . A 88 LYS HG3 . 25984 1 1005 . 1 1 88 88 LYS HD2 H 1 1.504 0.006 . . . . . A 88 LYS HD2 . 25984 1 1006 . 1 1 88 88 LYS HE2 H 1 2.744 0.012 . . . . . A 88 LYS HE2 . 25984 1 1007 . 1 1 88 88 LYS HE3 H 1 2.756 0.008 . . . . . A 88 LYS HE3 . 25984 1 1008 . 1 1 88 88 LYS CA C 13 57.579 0.000 . . . . . A 88 LYS CA . 25984 1 1009 . 1 1 88 88 LYS CB C 13 33.671 0.000 . . . . . A 88 LYS CB . 25984 1 1010 . 1 1 88 88 LYS CG C 13 25.989 0.000 . . . . . A 88 LYS CG . 25984 1 1011 . 1 1 88 88 LYS CD C 13 28.702 0.000 . . . . . A 88 LYS CD . 25984 1 1012 . 1 1 88 88 LYS CE C 13 41.702 0.000 . . . . . A 88 LYS CE . 25984 1 1013 . 1 1 88 88 LYS N N 15 116.397 0.000 . . . . . A 88 LYS N . 25984 1 1014 . 1 1 89 89 ILE H H 1 6.904 0.019 . . . . . A 89 ILE H . 25984 1 1015 . 1 1 89 89 ILE HA H 1 4.255 0.008 . . . . . A 89 ILE HA . 25984 1 1016 . 1 1 89 89 ILE HB H 1 1.252 0.008 . . . . . A 89 ILE HB . 25984 1 1017 . 1 1 89 89 ILE HG12 H 1 1.117 0.012 . . . . . A 89 ILE HG12 . 25984 1 1018 . 1 1 89 89 ILE HG13 H 1 1.173 0.006 . . . . . A 89 ILE HG13 . 25984 1 1019 . 1 1 89 89 ILE HG21 H 1 0.529 0.001 . . . . . A 89 ILE HG21 . 25984 1 1020 . 1 1 89 89 ILE HG22 H 1 0.529 0.001 . . . . . A 89 ILE HG22 . 25984 1 1021 . 1 1 89 89 ILE HG23 H 1 0.529 0.001 . . . . . A 89 ILE HG23 . 25984 1 1022 . 1 1 89 89 ILE HD11 H 1 0.541 0.006 . . . . . A 89 ILE HD11 . 25984 1 1023 . 1 1 89 89 ILE HD12 H 1 0.541 0.006 . . . . . A 89 ILE HD12 . 25984 1 1024 . 1 1 89 89 ILE HD13 H 1 0.541 0.006 . . . . . A 89 ILE HD13 . 25984 1 1025 . 1 1 89 89 ILE CA C 13 59.798 0.000 . . . . . A 89 ILE CA . 25984 1 1026 . 1 1 89 89 ILE CB C 13 41.000 0.000 . . . . . A 89 ILE CB . 25984 1 1027 . 1 1 89 89 ILE CG1 C 13 27.058 0.134 . . . . . A 89 ILE CG1 . 25984 1 1028 . 1 1 89 89 ILE CG2 C 13 18.187 0.000 . . . . . A 89 ILE CG2 . 25984 1 1029 . 1 1 89 89 ILE CD1 C 13 14.210 0.000 . . . . . A 89 ILE CD1 . 25984 1 1030 . 1 1 89 89 ILE N N 15 115.503 0.000 . . . . . A 89 ILE N . 25984 1 1031 . 1 1 90 90 GLU H H 1 8.432 0.002 . . . . . A 90 GLU H . 25984 1 1032 . 1 1 90 90 GLU HA H 1 4.374 0.004 . . . . . A 90 GLU HA . 25984 1 1033 . 1 1 90 90 GLU HB2 H 1 1.716 0.004 . . . . . A 90 GLU HB2 . 25984 1 1034 . 1 1 90 90 GLU HB3 H 1 1.825 0.005 . . . . . A 90 GLU HB3 . 25984 1 1035 . 1 1 90 90 GLU HG2 H 1 1.978 0.004 . . . . . A 90 GLU HG2 . 25984 1 1036 . 1 1 90 90 GLU HG3 H 1 1.923 0.002 . . . . . A 90 GLU HG3 . 25984 1 1037 . 1 1 90 90 GLU CA C 13 55.011 0.000 . . . . . A 90 GLU CA . 25984 1 1038 . 1 1 90 90 GLU CB C 13 31.444 0.000 . . . . . A 90 GLU CB . 25984 1 1039 . 1 1 90 90 GLU CG C 13 35.932 0.000 . . . . . A 90 GLU CG . 25984 1 1040 . 1 1 90 90 GLU N N 15 126.770 0.000 . . . . . A 90 GLU N . 25984 1 1041 . 1 1 91 91 LEU H H 1 8.591 0.011 . . . . . A 91 LEU H . 25984 1 1042 . 1 1 91 91 LEU HA H 1 5.235 0.011 . . . . . A 91 LEU HA . 25984 1 1043 . 1 1 91 91 LEU HB2 H 1 1.227 0.007 . . . . . A 91 LEU HB2 . 25984 1 1044 . 1 1 91 91 LEU HB3 H 1 1.339 0.000 . . . . . A 91 LEU HB3 . 25984 1 1045 . 1 1 91 91 LEU HG H 1 1.292 0.002 . . . . . A 91 LEU HG . 25984 1 1046 . 1 1 91 91 LEU HD11 H 1 0.605 0.003 . . . . . A 91 LEU HD11 . 25984 1 1047 . 1 1 91 91 LEU HD12 H 1 0.605 0.003 . . . . . A 91 LEU HD12 . 25984 1 1048 . 1 1 91 91 LEU HD13 H 1 0.605 0.003 . . . . . A 91 LEU HD13 . 25984 1 1049 . 1 1 91 91 LEU HD21 H 1 0.647 0.005 . . . . . A 91 LEU HD21 . 25984 1 1050 . 1 1 91 91 LEU HD22 H 1 0.647 0.005 . . . . . A 91 LEU HD22 . 25984 1 1051 . 1 1 91 91 LEU HD23 H 1 0.647 0.005 . . . . . A 91 LEU HD23 . 25984 1 1052 . 1 1 91 91 LEU CA C 13 53.522 0.000 . . . . . A 91 LEU CA . 25984 1 1053 . 1 1 91 91 LEU CB C 13 45.964 0.000 . . . . . A 91 LEU CB . 25984 1 1054 . 1 1 91 91 LEU CG C 13 26.785 0.042 . . . . . A 91 LEU CG . 25984 1 1055 . 1 1 91 91 LEU CD1 C 13 25.794 0.000 . . . . . A 91 LEU CD1 . 25984 1 1056 . 1 1 91 91 LEU CD2 C 13 24.022 0.000 . . . . . A 91 LEU CD2 . 25984 1 1057 . 1 1 91 91 LEU N N 15 126.359 0.000 . . . . . A 91 LEU N . 25984 1 1058 . 1 1 92 92 SER H H 1 8.604 0.012 . . . . . A 92 SER H . 25984 1 1059 . 1 1 92 92 SER HA H 1 4.506 0.003 . . . . . A 92 SER HA . 25984 1 1060 . 1 1 92 92 SER HB2 H 1 3.587 0.000 . . . . . A 92 SER HB2 . 25984 1 1061 . 1 1 92 92 SER HB3 H 1 3.649 0.009 . . . . . A 92 SER HB3 . 25984 1 1062 . 1 1 92 92 SER CA C 13 57.103 0.000 . . . . . A 92 SER CA . 25984 1 1063 . 1 1 92 92 SER CB C 13 65.522 0.000 . . . . . A 92 SER CB . 25984 1 1064 . 1 1 92 92 SER N N 15 116.616 0.000 . . . . . A 92 SER N . 25984 1 1065 . 1 1 93 93 GLY H H 1 8.562 0.015 . . . . . A 93 GLY H . 25984 1 1066 . 1 1 93 93 GLY HA2 H 1 3.421 0.010 . . . . . A 93 GLY HA2 . 25984 1 1067 . 1 1 93 93 GLY HA3 H 1 4.491 0.001 . . . . . A 93 GLY HA3 . 25984 1 1068 . 1 1 93 93 GLY CA C 13 44.480 0.000 . . . . . A 93 GLY CA . 25984 1 1069 . 1 1 93 93 GLY N N 15 110.219 0.000 . . . . . A 93 GLY N . 25984 1 1070 . 1 1 94 94 ASP H H 1 8.013 0.005 . . . . . A 94 ASP H . 25984 1 1071 . 1 1 94 94 ASP HA H 1 4.254 0.007 . . . . . A 94 ASP HA . 25984 1 1072 . 1 1 94 94 ASP HB2 H 1 2.414 0.004 . . . . . A 94 ASP HB2 . 25984 1 1073 . 1 1 94 94 ASP HB3 H 1 2.493 0.010 . . . . . A 94 ASP HB3 . 25984 1 1074 . 1 1 94 94 ASP CA C 13 54.567 0.000 . . . . . A 94 ASP CA . 25984 1 1075 . 1 1 94 94 ASP CB C 13 41.322 0.000 . . . . . A 94 ASP CB . 25984 1 1076 . 1 1 94 94 ASP N N 15 122.552 0.000 . . . . . A 94 ASP N . 25984 1 1077 . 1 1 95 95 ALA H H 1 8.462 0.011 . . . . . A 95 ALA H . 25984 1 1078 . 1 1 95 95 ALA HA H 1 3.752 0.008 . . . . . A 95 ALA HA . 25984 1 1079 . 1 1 95 95 ALA HB1 H 1 1.283 0.007 . . . . . A 95 ALA HB1 . 25984 1 1080 . 1 1 95 95 ALA HB2 H 1 1.283 0.007 . . . . . A 95 ALA HB2 . 25984 1 1081 . 1 1 95 95 ALA HB3 H 1 1.283 0.007 . . . . . A 95 ALA HB3 . 25984 1 1082 . 1 1 95 95 ALA CA C 13 54.735 0.055 . . . . . A 95 ALA CA . 25984 1 1083 . 1 1 95 95 ALA CB C 13 18.804 0.000 . . . . . A 95 ALA CB . 25984 1 1084 . 1 1 95 95 ALA N N 15 130.050 0.000 . . . . . A 95 ALA N . 25984 1 1085 . 1 1 96 96 ASP H H 1 8.030 0.015 . . . . . A 96 ASP H . 25984 1 1086 . 1 1 96 96 ASP HA H 1 4.273 0.009 . . . . . A 96 ASP HA . 25984 1 1087 . 1 1 96 96 ASP HB2 H 1 2.488 0.002 . . . . . A 96 ASP HB2 . 25984 1 1088 . 1 1 96 96 ASP HB3 H 1 2.617 0.003 . . . . . A 96 ASP HB3 . 25984 1 1089 . 1 1 96 96 ASP CA C 13 57.218 0.000 . . . . . A 96 ASP CA . 25984 1 1090 . 1 1 96 96 ASP CB C 13 40.699 0.000 . . . . . A 96 ASP CB . 25984 1 1091 . 1 1 96 96 ASP N N 15 119.453 0.000 . . . . . A 96 ASP N . 25984 1 1092 . 1 1 97 97 LEU H H 1 7.880 0.012 . . . . . A 97 LEU H . 25984 1 1093 . 1 1 97 97 LEU HA H 1 3.873 0.004 . . . . . A 97 LEU HA . 25984 1 1094 . 1 1 97 97 LEU HB2 H 1 1.215 0.007 . . . . . A 97 LEU HB2 . 25984 1 1095 . 1 1 97 97 LEU HB3 H 1 1.359 0.003 . . . . . A 97 LEU HB3 . 25984 1 1096 . 1 1 97 97 LEU HG H 1 1.437 0.010 . . . . . A 97 LEU HG . 25984 1 1097 . 1 1 97 97 LEU HD11 H 1 0.544 0.003 . . . . . A 97 LEU HD11 . 25984 1 1098 . 1 1 97 97 LEU HD12 H 1 0.544 0.003 . . . . . A 97 LEU HD12 . 25984 1 1099 . 1 1 97 97 LEU HD13 H 1 0.544 0.003 . . . . . A 97 LEU HD13 . 25984 1 1100 . 1 1 97 97 LEU HD21 H 1 0.692 0.004 . . . . . A 97 LEU HD21 . 25984 1 1101 . 1 1 97 97 LEU HD22 H 1 0.692 0.004 . . . . . A 97 LEU HD22 . 25984 1 1102 . 1 1 97 97 LEU HD23 H 1 0.692 0.004 . . . . . A 97 LEU HD23 . 25984 1 1103 . 1 1 97 97 LEU CA C 13 57.174 0.000 . . . . . A 97 LEU CA . 25984 1 1104 . 1 1 97 97 LEU CB C 13 41.861 0.000 . . . . . A 97 LEU CB . 25984 1 1105 . 1 1 97 97 LEU CG C 13 26.896 0.000 . . . . . A 97 LEU CG . 25984 1 1106 . 1 1 97 97 LEU CD1 C 13 25.166 0.000 . . . . . A 97 LEU CD1 . 25984 1 1107 . 1 1 97 97 LEU CD2 C 13 24.390 0.000 . . . . . A 97 LEU CD2 . 25984 1 1108 . 1 1 97 97 LEU N N 15 122.309 0.000 . . . . . A 97 LEU N . 25984 1 1109 . 1 1 98 98 ALA H H 1 7.703 0.012 . . . . . A 98 ALA H . 25984 1 1110 . 1 1 98 98 ALA HA H 1 3.824 0.002 . . . . . A 98 ALA HA . 25984 1 1111 . 1 1 98 98 ALA HB1 H 1 1.286 0.004 . . . . . A 98 ALA HB1 . 25984 1 1112 . 1 1 98 98 ALA HB2 H 1 1.286 0.004 . . . . . A 98 ALA HB2 . 25984 1 1113 . 1 1 98 98 ALA HB3 H 1 1.286 0.004 . . . . . A 98 ALA HB3 . 25984 1 1114 . 1 1 98 98 ALA CA C 13 55.476 0.000 . . . . . A 98 ALA CA . 25984 1 1115 . 1 1 98 98 ALA CB C 13 18.415 0.000 . . . . . A 98 ALA CB . 25984 1 1116 . 1 1 98 98 ALA N N 15 118.960 0.000 . . . . . A 98 ALA N . 25984 1 1117 . 1 1 99 99 ALA H H 1 7.644 0.005 . . . . . A 99 ALA H . 25984 1 1118 . 1 1 99 99 ALA HA H 1 3.838 0.000 . . . . . A 99 ALA HA . 25984 1 1119 . 1 1 99 99 ALA HB1 H 1 1.356 0.002 . . . . . A 99 ALA HB1 . 25984 1 1120 . 1 1 99 99 ALA HB2 H 1 1.356 0.002 . . . . . A 99 ALA HB2 . 25984 1 1121 . 1 1 99 99 ALA HB3 H 1 1.356 0.002 . . . . . A 99 ALA HB3 . 25984 1 1122 . 1 1 99 99 ALA CA C 13 54.822 0.000 . . . . . A 99 ALA CA . 25984 1 1123 . 1 1 99 99 ALA CB C 13 17.636 0.000 . . . . . A 99 ALA CB . 25984 1 1124 . 1 1 99 99 ALA N N 15 118.853 0.000 . . . . . A 99 ALA N . 25984 1 1125 . 1 1 100 100 LYS H H 1 7.786 0.007 . . . . . A 100 LYS H . 25984 1 1126 . 1 1 100 100 LYS HA H 1 3.866 0.008 . . . . . A 100 LYS HA . 25984 1 1127 . 1 1 100 100 LYS HB2 H 1 1.592 0.009 . . . . . A 100 LYS HB2 . 25984 1 1128 . 1 1 100 100 LYS HB3 H 1 1.807 0.002 . . . . . A 100 LYS HB3 . 25984 1 1129 . 1 1 100 100 LYS HG2 H 1 1.286 0.000 . . . . . A 100 LYS HG2 . 25984 1 1130 . 1 1 100 100 LYS HD2 H 1 1.498 0.011 . . . . . A 100 LYS HD2 . 25984 1 1131 . 1 1 100 100 LYS HE2 H 1 2.749 0.000 . . . . . A 100 LYS HE2 . 25984 1 1132 . 1 1 100 100 LYS HE3 H 1 2.772 0.000 . . . . . A 100 LYS HE3 . 25984 1 1133 . 1 1 100 100 LYS CA C 13 58.760 0.000 . . . . . A 100 LYS CA . 25984 1 1134 . 1 1 100 100 LYS CB C 13 32.665 0.000 . . . . . A 100 LYS CB . 25984 1 1135 . 1 1 100 100 LYS CG C 13 24.832 0.000 . . . . . A 100 LYS CG . 25984 1 1136 . 1 1 100 100 LYS CD C 13 28.702 0.000 . . . . . A 100 LYS CD . 25984 1 1137 . 1 1 100 100 LYS CE C 13 41.702 0.000 . . . . . A 100 LYS CE . 25984 1 1138 . 1 1 100 100 LYS N N 15 118.723 0.000 . . . . . A 100 LYS N . 25984 1 1139 . 1 1 101 101 LEU H H 1 7.865 0.009 . . . . . A 101 LEU H . 25984 1 1140 . 1 1 101 101 LEU HA H 1 3.786 0.006 . . . . . A 101 LEU HA . 25984 1 1141 . 1 1 101 101 LEU HB2 H 1 1.096 0.003 . . . . . A 101 LEU HB2 . 25984 1 1142 . 1 1 101 101 LEU HB3 H 1 1.713 0.004 . . . . . A 101 LEU HB3 . 25984 1 1143 . 1 1 101 101 LEU HG H 1 1.102 0.000 . . . . . A 101 LEU HG . 25984 1 1144 . 1 1 101 101 LEU HD11 H 1 0.310 0.003 . . . . . A 101 LEU HD11 . 25984 1 1145 . 1 1 101 101 LEU HD12 H 1 0.310 0.003 . . . . . A 101 LEU HD12 . 25984 1 1146 . 1 1 101 101 LEU HD13 H 1 0.310 0.003 . . . . . A 101 LEU HD13 . 25984 1 1147 . 1 1 101 101 LEU HD21 H 1 -0.071 0.002 . . . . . A 101 LEU HD21 . 25984 1 1148 . 1 1 101 101 LEU HD22 H 1 -0.071 0.002 . . . . . A 101 LEU HD22 . 25984 1 1149 . 1 1 101 101 LEU HD23 H 1 -0.071 0.002 . . . . . A 101 LEU HD23 . 25984 1 1150 . 1 1 101 101 LEU CA C 13 57.218 0.000 . . . . . A 101 LEU CA . 25984 1 1151 . 1 1 101 101 LEU CB C 13 40.191 0.000 . . . . . A 101 LEU CB . 25984 1 1152 . 1 1 101 101 LEU CG C 13 26.692 0.000 . . . . . A 101 LEU CG . 25984 1 1153 . 1 1 101 101 LEU CD1 C 13 22.873 0.000 . . . . . A 101 LEU CD1 . 25984 1 1154 . 1 1 101 101 LEU CD2 C 13 25.652 0.000 . . . . . A 101 LEU CD2 . 25984 1 1155 . 1 1 101 101 LEU N N 15 119.153 0.000 . . . . . A 101 LEU N . 25984 1 1156 . 1 1 102 102 ALA H H 1 8.050 0.013 . . . . . A 102 ALA H . 25984 1 1157 . 1 1 102 102 ALA HA H 1 3.562 0.012 . . . . . A 102 ALA HA . 25984 1 1158 . 1 1 102 102 ALA HB1 H 1 1.231 0.010 . . . . . A 102 ALA HB1 . 25984 1 1159 . 1 1 102 102 ALA HB2 H 1 1.231 0.010 . . . . . A 102 ALA HB2 . 25984 1 1160 . 1 1 102 102 ALA HB3 H 1 1.231 0.010 . . . . . A 102 ALA HB3 . 25984 1 1161 . 1 1 102 102 ALA CA C 13 55.414 0.000 . . . . . A 102 ALA CA . 25984 1 1162 . 1 1 102 102 ALA CB C 13 17.424 0.000 . . . . . A 102 ALA CB . 25984 1 1163 . 1 1 102 102 ALA N N 15 119.696 0.000 . . . . . A 102 ALA N . 25984 1 1164 . 1 1 103 103 GLU H H 1 7.388 0.008 . . . . . A 103 GLU H . 25984 1 1165 . 1 1 103 103 GLU HA H 1 3.793 0.005 . . . . . A 103 GLU HA . 25984 1 1166 . 1 1 103 103 GLU HB2 H 1 1.968 0.002 . . . . . A 103 GLU HB2 . 25984 1 1167 . 1 1 103 103 GLU HB3 H 1 1.930 0.007 . . . . . A 103 GLU HB3 . 25984 1 1168 . 1 1 103 103 GLU HG2 H 1 2.228 0.010 . . . . . A 103 GLU HG2 . 25984 1 1169 . 1 1 103 103 GLU HG3 H 1 2.227 0.009 . . . . . A 103 GLU HG3 . 25984 1 1170 . 1 1 103 103 GLU CA C 13 59.075 0.000 . . . . . A 103 GLU CA . 25984 1 1171 . 1 1 103 103 GLU CB C 13 29.820 0.000 . . . . . A 103 GLU CB . 25984 1 1172 . 1 1 103 103 GLU CG C 13 36.346 0.000 . . . . . A 103 GLU CG . 25984 1 1173 . 1 1 103 103 GLU N N 15 115.410 0.000 . . . . . A 103 GLU N . 25984 1 1174 . 1 1 104 104 VAL H H 1 7.439 0.004 . . . . . A 104 VAL H . 25984 1 1175 . 1 1 104 104 VAL HA H 1 3.816 0.014 . . . . . A 104 VAL HA . 25984 1 1176 . 1 1 104 104 VAL HB H 1 2.066 0.001 . . . . . A 104 VAL HB . 25984 1 1177 . 1 1 104 104 VAL HG11 H 1 0.810 0.001 . . . . . A 104 VAL HG11 . 25984 1 1178 . 1 1 104 104 VAL HG12 H 1 0.810 0.001 . . . . . A 104 VAL HG12 . 25984 1 1179 . 1 1 104 104 VAL HG13 H 1 0.810 0.001 . . . . . A 104 VAL HG13 . 25984 1 1180 . 1 1 104 104 VAL HG21 H 1 0.705 0.002 . . . . . A 104 VAL HG21 . 25984 1 1181 . 1 1 104 104 VAL HG22 H 1 0.705 0.002 . . . . . A 104 VAL HG22 . 25984 1 1182 . 1 1 104 104 VAL HG23 H 1 0.705 0.002 . . . . . A 104 VAL HG23 . 25984 1 1183 . 1 1 104 104 VAL CA C 13 64.642 0.000 . . . . . A 104 VAL CA . 25984 1 1184 . 1 1 104 104 VAL CB C 13 32.178 0.000 . . . . . A 104 VAL CB . 25984 1 1185 . 1 1 104 104 VAL CG1 C 13 21.302 0.000 . . . . . A 104 VAL CG1 . 25984 1 1186 . 1 1 104 104 VAL CG2 C 13 21.232 0.000 . . . . . A 104 VAL CG2 . 25984 1 1187 . 1 1 104 104 VAL N N 15 115.855 0.000 . . . . . A 104 VAL N . 25984 1 1188 . 1 1 105 105 ILE H H 1 7.657 0.038 . . . . . A 105 ILE H . 25984 1 1189 . 1 1 105 105 ILE HA H 1 3.593 0.175 . . . . . A 105 ILE HA . 25984 1 1190 . 1 1 105 105 ILE HB H 1 1.660 0.007 . . . . . A 105 ILE HB . 25984 1 1191 . 1 1 105 105 ILE HG12 H 1 0.895 0.013 . . . . . A 105 ILE HG12 . 25984 1 1192 . 1 1 105 105 ILE HG13 H 1 0.864 0.000 . . . . . A 105 ILE HG13 . 25984 1 1193 . 1 1 105 105 ILE HG21 H 1 0.588 0.114 . . . . . A 105 ILE HG21 . 25984 1 1194 . 1 1 105 105 ILE HG22 H 1 0.588 0.114 . . . . . A 105 ILE HG22 . 25984 1 1195 . 1 1 105 105 ILE HG23 H 1 0.588 0.114 . . . . . A 105 ILE HG23 . 25984 1 1196 . 1 1 105 105 ILE HD11 H 1 0.411 0.263 . . . . . A 105 ILE HD11 . 25984 1 1197 . 1 1 105 105 ILE HD12 H 1 0.411 0.263 . . . . . A 105 ILE HD12 . 25984 1 1198 . 1 1 105 105 ILE HD13 H 1 0.411 0.263 . . . . . A 105 ILE HD13 . 25984 1 1199 . 1 1 105 105 ILE CA C 13 63.904 0.000 . . . . . A 105 ILE CA . 25984 1 1200 . 1 1 105 105 ILE CB C 13 37.394 0.000 . . . . . A 105 ILE CB . 25984 1 1201 . 1 1 105 105 ILE CG1 C 13 28.036 0.000 . . . . . A 105 ILE CG1 . 25984 1 1202 . 1 1 105 105 ILE CG2 C 13 17.304 0.000 . . . . . A 105 ILE CG2 . 25984 1 1203 . 1 1 105 105 ILE CD1 C 13 14.022 0.000 . . . . . A 105 ILE CD1 . 25984 1 1204 . 1 1 105 105 ILE N N 15 122.590 0.000 . . . . . A 105 ILE N . 25984 1 1205 . 1 1 106 106 HIS H H 1 7.962 0.012 . . . . . A 106 HIS H . 25984 1 1206 . 1 1 106 106 HIS HA H 1 4.365 0.000 . . . . . A 106 HIS HA . 25984 1 1207 . 1 1 106 106 HIS HB2 H 1 2.826 0.000 . . . . . A 106 HIS HB2 . 25984 1 1208 . 1 1 106 106 HIS HD2 H 1 6.975 0.005 . . . . . A 106 HIS HD2 . 25984 1 1209 . 1 1 106 106 HIS HE1 H 1 7.896 0.000 . . . . . A 106 HIS HE1 . 25984 1 1210 . 1 1 106 106 HIS CA C 13 59.922 0.000 . . . . . A 106 HIS CA . 25984 1 1211 . 1 1 106 106 HIS CB C 13 28.622 0.000 . . . . . A 106 HIS CB . 25984 1 1212 . 1 1 106 106 HIS CD2 C 13 119.762 0.000 . . . . . A 106 HIS CD2 . 25984 1 1213 . 1 1 106 106 HIS N N 15 119.610 0.000 . . . . . A 106 HIS N . 25984 1 1214 . 2 2 1 1 PAM H21 H 1 1.916 0.002 . . . . . B 201 PLM H21 . 25984 1 1215 . 2 2 1 1 PAM H31 H 1 0.879 0.005 . . . . . B 201 PLM H31 . 25984 1 1216 . 2 2 1 1 PAM H32 H 1 0.879 0.005 . . . . . B 201 PLM H32 . 25984 1 1217 . 2 2 1 1 PAM H41 H 1 0.887 0.002 . . . . . B 201 PLM H41 . 25984 1 1218 . 2 2 1 1 PAM H42 H 1 0.887 0.002 . . . . . B 201 PLM H42 . 25984 1 1219 . 2 2 1 1 PAM H51 H 1 0.856 0.000 . . . . . B 201 PLM H51 . 25984 1 1220 . 2 2 1 1 PAM H52 H 1 0.856 0.000 . . . . . B 201 PLM H52 . 25984 1 1221 . 2 2 1 1 PAM H61 H 1 0.877 0.002 . . . . . B 201 PLM H61 . 25984 1 1222 . 2 2 1 1 PAM H62 H 1 0.877 0.002 . . . . . B 201 PLM H62 . 25984 1 1223 . 2 2 1 1 PAM H71 H 1 0.870 0.004 . . . . . B 201 PLM H71 . 25984 1 1224 . 2 2 1 1 PAM H72 H 1 0.870 0.004 . . . . . B 201 PLM H72 . 25984 1 1225 . 2 2 1 1 PAM H81 H 1 0.875 0.002 . . . . . B 201 PLM H81 . 25984 1 1226 . 2 2 1 1 PAM H82 H 1 0.875 0.002 . . . . . B 201 PLM H82 . 25984 1 1227 . 2 2 1 1 PAM H91 H 1 0.866 0.000 . . . . . B 201 PLM H91 . 25984 1 1228 . 2 2 1 1 PAM H92 H 1 0.866 0.000 . . . . . B 201 PLM H92 . 25984 1 1229 . 2 2 1 1 PAM HA1 H 1 0.858 0.016 . . . . . B 201 PLM HA1 . 25984 1 1230 . 2 2 1 1 PAM HA2 H 1 0.858 0.016 . . . . . B 201 PLM HA2 . 25984 1 1231 . 2 2 1 1 PAM HB1 H 1 0.862 0.009 . . . . . B 201 PLM HB1 . 25984 1 1232 . 2 2 1 1 PAM HB2 H 1 0.862 0.009 . . . . . B 201 PLM HB2 . 25984 1 1233 . 2 2 1 1 PAM HC1 H 1 0.870 0.012 . . . . . B 201 PLM HC1 . 25984 1 1234 . 2 2 1 1 PAM HC2 H 1 0.870 0.012 . . . . . B 201 PLM HC2 . 25984 1 1235 . 2 2 1 1 PAM HD1 H 1 0.866 0.015 . . . . . B 201 PLM HD1 . 25984 1 1236 . 2 2 1 1 PAM HD2 H 1 0.866 0.015 . . . . . B 201 PLM HD2 . 25984 1 1237 . 2 2 1 1 PAM HE1 H 1 0.871 0.002 . . . . . B 201 PLM HE1 . 25984 1 1238 . 2 2 1 1 PAM HE2 H 1 0.871 0.002 . . . . . B 201 PLM HE2 . 25984 1 1239 . 2 2 1 1 PAM HF1 H 1 0.885 0.007 . . . . . B 201 PLM HF1 . 25984 1 1240 . 2 2 1 1 PAM HF2 H 1 0.885 0.007 . . . . . B 201 PLM HF2 . 25984 1 1241 . 2 2 1 1 PAM HG1 H 1 0.555 0.010 . . . . . B 201 PLM HG1 . 25984 1 1242 . 2 2 1 1 PAM HG2 H 1 0.555 0.010 . . . . . B 201 PLM HG2 . 25984 1 1243 . 2 2 1 1 PAM HG3 H 1 0.555 0.010 . . . . . B 201 PLM HG3 . 25984 1 1244 . 3 2 1 1 PAM H21 H 1 1.631 0.000 . . . . . C 202 PLM H21 . 25984 1 1245 . 3 2 1 1 PAM H31 H 1 0.864 0.002 . . . . . C 202 PLM H31 . 25984 1 1246 . 3 2 1 1 PAM H32 H 1 0.864 0.002 . . . . . C 202 PLM H32 . 25984 1 1247 . 3 2 1 1 PAM H61 H 1 0.881 0.007 . . . . . C 202 PLM H61 . 25984 1 1248 . 3 2 1 1 PAM H62 H 1 0.881 0.007 . . . . . C 202 PLM H62 . 25984 1 1249 . 3 2 1 1 PAM H71 H 1 0.867 0.004 . . . . . C 202 PLM H71 . 25984 1 1250 . 3 2 1 1 PAM H72 H 1 0.867 0.004 . . . . . C 202 PLM H72 . 25984 1 1251 . 3 2 1 1 PAM HA1 H 1 0.856 0.000 . . . . . C 202 PLM HA1 . 25984 1 1252 . 3 2 1 1 PAM HA2 H 1 0.856 0.000 . . . . . C 202 PLM HA2 . 25984 1 1253 . 3 2 1 1 PAM HB1 H 1 0.895 0.012 . . . . . C 202 PLM HB1 . 25984 1 1254 . 3 2 1 1 PAM HB2 H 1 0.895 0.012 . . . . . C 202 PLM HB2 . 25984 1 1255 . 3 2 1 1 PAM HC1 H 1 0.862 0.000 . . . . . C 202 PLM HC1 . 25984 1 1256 . 3 2 1 1 PAM HC2 H 1 0.862 0.000 . . . . . C 202 PLM HC2 . 25984 1 1257 . 3 2 1 1 PAM HD1 H 1 0.884 0.000 . . . . . C 202 PLM HD1 . 25984 1 1258 . 3 2 1 1 PAM HD2 H 1 0.884 0.000 . . . . . C 202 PLM HD2 . 25984 1 1259 . 3 2 1 1 PAM HF1 H 1 0.886 0.011 . . . . . C 202 PLM HF1 . 25984 1 1260 . 3 2 1 1 PAM HF2 H 1 0.886 0.011 . . . . . C 202 PLM HF2 . 25984 1 1261 . 3 2 1 1 PAM HG1 H 1 0.592 0.003 . . . . . C 202 PLM HG1 . 25984 1 1262 . 3 2 1 1 PAM HG2 H 1 0.592 0.003 . . . . . C 202 PLM HG2 . 25984 1 1263 . 3 2 1 1 PAM HG3 H 1 0.592 0.003 . . . . . C 202 PLM HG3 . 25984 1 stop_ save_