data_15652 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15652 _Entry.Title ; Solution NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-04 _Entry.Accession_date 2008-02-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 Paolo Rossi . . . . 15652 2 Huang Wang . . . . 15652 3 Mei Jiang . . . . 15652 4 Erica Foote . L. . . 15652 5 Rong Xiao . . . . 15652 6 Jinfeng Liu . . . . 15652 7 G.V.T. Swapna . . . . 15652 8 Thomas Acton . B. . . 15652 9 Michael Baran . C. . . 15652 10 Burkhard Rost . . . . 15652 11 Gaetano Montelione . T. . . 15652 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 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15652 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15652 spectral_peak_list 2 15652 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 15652 '15N chemical shifts' 90 15652 '1H chemical shifts' 677 15652 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-06-12 2008-02-04 update BMRB 'added time domain data' 15652 1 . . 2008-02-07 2008-02-04 original author 'original release' 15652 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15652 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Paolo Rossi . . . . 15652 1 2 Rong Xiao . . . . 15652 1 3 Thomas Acton . B. . . 15652 1 4 Gaetano Montelione . T. . . 15652 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NESG 15652 1 'Solution NMR' 15652 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15652 _Assembly.ID 1 _Assembly.Name RrR43 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 RrR43 1 $RrR43 A . yes native no no . . . 15652 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RrR43 _Entity.Sf_category entity _Entity.Sf_framecode RrR43 _Entity.Entry_ID 15652 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RrR43 _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 ; MAKAQPIEIAGHEFARKADA LAFMKVMLNRYRPGDIVSTV DGAFLVEALKRHPDATSKIG PGVRNFEVRSADYGTQCFWI LRTDGSEERFSYKKCVLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1-96 Q2RW81_RHORT' _Entity.Polymer_author_seq_details '97-104 C-term LEHHHHHH Ni affinity tag.' _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11870.668 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K0M . ; Solution Nmr Structure Of The Uncharacterized Protein From Rhodospirillum Rubrum Gene Locus Rru_a0810. Northeast Structural Gen ; . . . . . 100.00 104 100.00 100.00 4.86e-71 . . . . 15652 1 2 no GB ABC21614 . 'conserved hypothetical protein [Rhodospirillum rubrum ATCC 11170]' . . . . . 92.31 96 100.00 100.00 1.92e-64 . . . . 15652 1 3 no GB AEO47305 . 'hypothetical protein F11_04175 [Rhodospirillum rubrum F11]' . . . . . 92.31 96 100.00 100.00 1.92e-64 . . . . 15652 1 4 no REF WP_011388568 . 'hypothetical protein [Rhodospirillum rubrum]' . . . . . 92.31 96 100.00 100.00 1.92e-64 . . . . 15652 1 5 no REF YP_425901 . 'hypothetical protein Rru_A0810 [Rhodospirillum rubrum ATCC 11170]' . . . . . 92.31 96 100.00 100.00 1.92e-64 . . . . 15652 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15652 1 2 . ALA . 15652 1 3 . LYS . 15652 1 4 . ALA . 15652 1 5 . GLN . 15652 1 6 . PRO . 15652 1 7 . ILE . 15652 1 8 . GLU . 15652 1 9 . ILE . 15652 1 10 . ALA . 15652 1 11 . GLY . 15652 1 12 . HIS . 15652 1 13 . GLU . 15652 1 14 . PHE . 15652 1 15 . ALA . 15652 1 16 . ARG . 15652 1 17 . LYS . 15652 1 18 . ALA . 15652 1 19 . ASP . 15652 1 20 . ALA . 15652 1 21 . LEU . 15652 1 22 . ALA . 15652 1 23 . PHE . 15652 1 24 . MET . 15652 1 25 . LYS . 15652 1 26 . VAL . 15652 1 27 . MET . 15652 1 28 . LEU . 15652 1 29 . ASN . 15652 1 30 . ARG . 15652 1 31 . TYR . 15652 1 32 . ARG . 15652 1 33 . PRO . 15652 1 34 . GLY . 15652 1 35 . ASP . 15652 1 36 . ILE . 15652 1 37 . VAL . 15652 1 38 . SER . 15652 1 39 . THR . 15652 1 40 . VAL . 15652 1 41 . ASP . 15652 1 42 . GLY . 15652 1 43 . ALA . 15652 1 44 . PHE . 15652 1 45 . LEU . 15652 1 46 . VAL . 15652 1 47 . GLU . 15652 1 48 . ALA . 15652 1 49 . LEU . 15652 1 50 . LYS . 15652 1 51 . ARG . 15652 1 52 . HIS . 15652 1 53 . PRO . 15652 1 54 . ASP . 15652 1 55 . ALA . 15652 1 56 . THR . 15652 1 57 . SER . 15652 1 58 . LYS . 15652 1 59 . ILE . 15652 1 60 . GLY . 15652 1 61 . PRO . 15652 1 62 . GLY . 15652 1 63 . VAL . 15652 1 64 . ARG . 15652 1 65 . ASN . 15652 1 66 . PHE . 15652 1 67 . GLU . 15652 1 68 . VAL . 15652 1 69 . ARG . 15652 1 70 . SER . 15652 1 71 . ALA . 15652 1 72 . ASP . 15652 1 73 . TYR . 15652 1 74 . GLY . 15652 1 75 . THR . 15652 1 76 . GLN . 15652 1 77 . CYS . 15652 1 78 . PHE . 15652 1 79 . TRP . 15652 1 80 . ILE . 15652 1 81 . LEU . 15652 1 82 . ARG . 15652 1 83 . THR . 15652 1 84 . ASP . 15652 1 85 . GLY . 15652 1 86 . SER . 15652 1 87 . GLU . 15652 1 88 . GLU . 15652 1 89 . ARG . 15652 1 90 . PHE . 15652 1 91 . SER . 15652 1 92 . TYR . 15652 1 93 . LYS . 15652 1 94 . LYS . 15652 1 95 . CYS . 15652 1 96 . VAL . 15652 1 97 . LEU . 15652 1 98 . GLU . 15652 1 99 . HIS . 15652 1 100 . HIS . 15652 1 101 . HIS . 15652 1 102 . HIS . 15652 1 103 . HIS . 15652 1 104 . HIS . 15652 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 15652 1 . ALA 2 2 15652 1 . LYS 3 3 15652 1 . ALA 4 4 15652 1 . GLN 5 5 15652 1 . PRO 6 6 15652 1 . ILE 7 7 15652 1 . GLU 8 8 15652 1 . ILE 9 9 15652 1 . ALA 10 10 15652 1 . GLY 11 11 15652 1 . HIS 12 12 15652 1 . GLU 13 13 15652 1 . PHE 14 14 15652 1 . ALA 15 15 15652 1 . ARG 16 16 15652 1 . LYS 17 17 15652 1 . ALA 18 18 15652 1 . ASP 19 19 15652 1 . ALA 20 20 15652 1 . LEU 21 21 15652 1 . ALA 22 22 15652 1 . PHE 23 23 15652 1 . MET 24 24 15652 1 . LYS 25 25 15652 1 . VAL 26 26 15652 1 . MET 27 27 15652 1 . LEU 28 28 15652 1 . ASN 29 29 15652 1 . ARG 30 30 15652 1 . TYR 31 31 15652 1 . ARG 32 32 15652 1 . PRO 33 33 15652 1 . GLY 34 34 15652 1 . ASP 35 35 15652 1 . ILE 36 36 15652 1 . VAL 37 37 15652 1 . SER 38 38 15652 1 . THR 39 39 15652 1 . VAL 40 40 15652 1 . ASP 41 41 15652 1 . GLY 42 42 15652 1 . ALA 43 43 15652 1 . PHE 44 44 15652 1 . LEU 45 45 15652 1 . VAL 46 46 15652 1 . GLU 47 47 15652 1 . ALA 48 48 15652 1 . LEU 49 49 15652 1 . LYS 50 50 15652 1 . ARG 51 51 15652 1 . HIS 52 52 15652 1 . PRO 53 53 15652 1 . ASP 54 54 15652 1 . ALA 55 55 15652 1 . THR 56 56 15652 1 . SER 57 57 15652 1 . LYS 58 58 15652 1 . ILE 59 59 15652 1 . GLY 60 60 15652 1 . PRO 61 61 15652 1 . GLY 62 62 15652 1 . VAL 63 63 15652 1 . ARG 64 64 15652 1 . ASN 65 65 15652 1 . PHE 66 66 15652 1 . GLU 67 67 15652 1 . VAL 68 68 15652 1 . ARG 69 69 15652 1 . SER 70 70 15652 1 . ALA 71 71 15652 1 . ASP 72 72 15652 1 . TYR 73 73 15652 1 . GLY 74 74 15652 1 . THR 75 75 15652 1 . GLN 76 76 15652 1 . CYS 77 77 15652 1 . PHE 78 78 15652 1 . TRP 79 79 15652 1 . ILE 80 80 15652 1 . LEU 81 81 15652 1 . ARG 82 82 15652 1 . THR 83 83 15652 1 . ASP 84 84 15652 1 . GLY 85 85 15652 1 . SER 86 86 15652 1 . GLU 87 87 15652 1 . GLU 88 88 15652 1 . ARG 89 89 15652 1 . PHE 90 90 15652 1 . SER 91 91 15652 1 . TYR 92 92 15652 1 . LYS 93 93 15652 1 . LYS 94 94 15652 1 . CYS 95 95 15652 1 . VAL 96 96 15652 1 . LEU 97 97 15652 1 . GLU 98 98 15652 1 . HIS 99 99 15652 1 . HIS 100 100 15652 1 . HIS 101 101 15652 1 . HIS 102 102 15652 1 . HIS 103 103 15652 1 . HIS 104 104 15652 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15652 _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 $RrR43 . 1085 organism . 'Rhodospirillum rubrum' 'Rhodospirillum rubrum' . . Bacteria . Rhodospirillum rubrum 'ATCC 11170 / NCIB 8255' . . . . . . . . . . Rru_A0810 . 15652 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 15652 _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 $RrR43 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)+Magic . . . . . 'pET 21-23C' . . . 15652 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15652 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details RrR43.004 _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RrR43 '[U-5% 13C; U-100% 15N]' . . 1 $RrR43 . . 1.15 . . mM . . . . 15652 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15652 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15652 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15652 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15652 1 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15652 1 7 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15652 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15652 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details RrR43.002 _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RrR43 '[U-100% 13C; U-100% 15N]' . . 1 $RrR43 . . 1.05 . . mM . . . . 15652 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15652 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15652 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15652 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15652 2 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15652 2 7 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15652 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 15652 _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' 0.1 . M 15652 1 pH 6.5 . pH 15652 1 pressure 1 . atm 15652 1 temperature 298 . K 15652 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15652 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15652 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15652 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15652 _Software.ID 2 _Software.Type . _Software.Name AutoAssign _Software.Version 2.4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15652 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15652 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15652 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15652 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15652 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15652 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15652 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15652 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15652 _Software.ID 5 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 15652 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 15652 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15652 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15652 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15652 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15652 _Software.ID 7 _Software.Type . _Software.Name TOPSPIN _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15652 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15652 7 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15652 _Software.ID 8 _Software.Type . _Software.Name SPARKY _Software.Version 3.112 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15652 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15652 8 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15652 _Software.ID 9 _Software.Type . _Software.Name Molmol _Software.Version 2k2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15652 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID visualization 15652 9 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15652 _Software.ID 10 _Software.Type . _Software.Name ProcheckNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15652 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15652 10 stop_ save_ save_Molprobity _Software.Sf_category software _Software.Sf_framecode Molprobity _Software.Entry_ID 15652 _Software.ID 11 _Software.Type . _Software.Name MolProbity _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Richardson . . 15652 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 15652 11 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 15652 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15652 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15652 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 15652 _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' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 2 '2D 1H-13C HSQC (aliph)' yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 3 '3D HNCO' yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 4 '3D HNCA' yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 5 '3D HNCACB' yes 5 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 6 '3D HBHA(CO)NH' yes 6 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 7 '3D HCCH-COSY' yes 7 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 8 '3D HCCH-TOCSY' yes 8 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 9 '3D CCH-TOCSY' yes 9 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 10 '3D CBCA(CO)NH' yes 10 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 11 '3D 1H-15N NOESY' yes 11 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 12 '3D 1H-13C NOESY (aliph)' yes 12 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 13 '2D 1H-13C HSQC (stereomethyl)' yes 13 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 14 '2D 1H-13C HSQC (arom)' yes 14 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 15 '3D 1H-13C NOESY (arom)' yes 15 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/ ; . . . . . . . 15652 1 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/ ; . . . . . . . 15652 1 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/pdata/1/ ; . . . . . . . 15652 1 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/ ; . . . . . . . 15652 1 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/ ; . . . . . . . 15652 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/ ; . . . . . . . 15652 2 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/ ; . . . . . . . 15652 2 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/pdata/1/ ; . . . . . . . 15652 2 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/ ; . . . . . . . 15652 2 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/ ; . . . . . . . 15652 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/ ; . . . . . . . 15652 3 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/ ; . . . . . . . 15652 3 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/pdata/1/ ; . . . . . . . 15652 3 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/ ; . . . . . . . 15652 3 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/ ; . . . . . . . 15652 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/ ; . . . . . . . 15652 4 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/ ; . . . . . . . 15652 4 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/pdata/1/ ; . . . . . . . 15652 4 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/ ; . . . . . . . 15652 4 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/ ; . . . . . . . 15652 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/ ; . . . . . . . 15652 5 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/ ; . . . . . . . 15652 5 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/pdata/1/ ; . . . . . . . 15652 5 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/ ; . . . . . . . 15652 5 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/ ; . . . . . . . 15652 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/ ; . . . . . . . 15652 6 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/ ; . . . . . . . 15652 6 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/pdata/1/ ; . . . . . . . 15652 6 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/ ; . . . . . . . 15652 6 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/ ; . . . . . . . 15652 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/ ; . . . . . . . 15652 7 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/ ; . . . . . . . 15652 7 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/pdata/1/ ; . . . . . . . 15652 7 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/ ; . . . . . . . 15652 7 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/ ; . . . . . . . 15652 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/ ; . . . . . . . 15652 8 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/ ; . . . . . . . 15652 8 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/pdata/1/ ; . . . . . . . 15652 8 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/ ; . . . . . . . 15652 8 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/ ; . . . . . . . 15652 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D CCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/ ; . . . . . . . 15652 9 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/ ; . . . . . . . 15652 9 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/pdata/1/ ; . . . . . . . 15652 9 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/ ; . . . . . . . 15652 9 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/ ; . . . . . . . 15652 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/ ; . . . . . . . 15652 10 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/ ; . . . . . . . 15652 10 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/pdata/1/ ; . . . . . . . 15652 10 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/ ; . . . . . . . 15652 10 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/ ; . . . . . . . 15652 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/ ; . . . . . . . 15652 11 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/ ; . . . . . . . 15652 11 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/pdata/1/ ; . . . . . . . 15652 11 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/ ; . . . . . . . 15652 11 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/ ; . . . . . . . 15652 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 1H-13C NOESY (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/ ; . . . . . . . 15652 12 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/ ; . . . . . . . 15652 12 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/pdata/1/ ; . . . . . . . 15652 12 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/ ; . . . . . . . 15652 12 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/ ; . . . . . . . 15652 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D 1H-13C HSQC (stereomethyl)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/ ; . . . . . . . 15652 13 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/ ; . . . . . . . 15652 13 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/pdata/1/ ; . . . . . . . 15652 13 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/ ; . . . . . . . 15652 13 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/ ; . . . . . . . 15652 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D 1H-13C HSQC (arom)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/ ; . . . . . . . 15652 14 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/ ; . . . . . . . 15652 14 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/pdata/1/ ; . . . . . . . 15652 14 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/ ; . . . . . . . 15652 14 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/ ; . . . . . . . 15652 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 15652 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D 1H-13C NOESY (arom)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/ ; . . . . . . . 15652 15 acqus 'acquisition parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/ ; . . . . . . . 15652 15 procs 'processing parameters' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/pdata/1/ ; . . . . . . . 15652 15 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/ ; . . . . . . . 15652 15 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/ ; . . . . . . . 15652 15 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 15652 _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 internal indirect 0.251449530 . . . . . 15652 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 15652 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15652 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 15652 _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 3 '3D HNCO' . . . 15652 1 11 '3D 1H-15N NOESY' . . . 15652 1 12 '3D 1H-13C NOESY (aliph)' . . . 15652 1 15 '3D 1H-13C NOESY (arom)' . . . 15652 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 8 $SPARKY . . 15652 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.102 0.03 . 1 . . . . . 2 ALA HA . 15652 1 2 . 1 1 2 2 ALA HB1 H 1 1.525 0.03 . 1 . . . . . 2 ALA HB . 15652 1 3 . 1 1 2 2 ALA HB2 H 1 1.525 0.03 . 1 . . . . . 2 ALA HB . 15652 1 4 . 1 1 2 2 ALA HB3 H 1 1.525 0.03 . 1 . . . . . 2 ALA HB . 15652 1 5 . 1 1 2 2 ALA CA C 13 51.775 0.3 . 1 . . . . . 2 ALA CA . 15652 1 6 . 1 1 2 2 ALA CB C 13 19.665 0.3 . 1 . . . . . 2 ALA CB . 15652 1 7 . 1 1 3 3 LYS HA H 1 4.329 0.03 . 1 . . . . . 3 LYS HA . 15652 1 8 . 1 1 3 3 LYS HB2 H 1 1.813 0.03 . 2 . . . . . 3 LYS HB2 . 15652 1 9 . 1 1 3 3 LYS HB3 H 1 1.785 0.03 . 2 . . . . . 3 LYS HB3 . 15652 1 10 . 1 1 3 3 LYS HD2 H 1 1.704 0.03 . 2 . . . . . 3 LYS HD2 . 15652 1 11 . 1 1 3 3 LYS HE2 H 1 3.011 0.03 . 2 . . . . . 3 LYS HE2 . 15652 1 12 . 1 1 3 3 LYS HE3 H 1 3.011 0.03 . 2 . . . . . 3 LYS HE3 . 15652 1 13 . 1 1 3 3 LYS HG2 H 1 1.465 0.03 . 2 . . . . . 3 LYS HG2 . 15652 1 14 . 1 1 3 3 LYS HG3 H 1 1.467 0.03 . 2 . . . . . 3 LYS HG3 . 15652 1 15 . 1 1 3 3 LYS C C 13 176.086 0.3 . 1 . . . . . 3 LYS C . 15652 1 16 . 1 1 3 3 LYS CA C 13 56.354 0.3 . 1 . . . . . 3 LYS CA . 15652 1 17 . 1 1 3 3 LYS CB C 13 33.325 0.3 . 1 . . . . . 3 LYS CB . 15652 1 18 . 1 1 3 3 LYS CD C 13 29.251 0.3 . 1 . . . . . 3 LYS CD . 15652 1 19 . 1 1 3 3 LYS CE C 13 42.183 0.3 . 1 . . . . . 3 LYS CE . 15652 1 20 . 1 1 3 3 LYS CG C 13 24.707 0.3 . 1 . . . . . 3 LYS CG . 15652 1 21 . 1 1 4 4 ALA H H 1 8.515 0.03 . 1 . . . . . 4 ALA H . 15652 1 22 . 1 1 4 4 ALA HA H 1 4.356 0.03 . 1 . . . . . 4 ALA HA . 15652 1 23 . 1 1 4 4 ALA HB1 H 1 1.417 0.03 . 1 . . . . . 4 ALA HB . 15652 1 24 . 1 1 4 4 ALA HB2 H 1 1.417 0.03 . 1 . . . . . 4 ALA HB . 15652 1 25 . 1 1 4 4 ALA HB3 H 1 1.417 0.03 . 1 . . . . . 4 ALA HB . 15652 1 26 . 1 1 4 4 ALA C C 13 177.307 0.3 . 1 . . . . . 4 ALA C . 15652 1 27 . 1 1 4 4 ALA CA C 13 52.316 0.3 . 1 . . . . . 4 ALA CA . 15652 1 28 . 1 1 4 4 ALA CB C 13 19.421 0.3 . 1 . . . . . 4 ALA CB . 15652 1 29 . 1 1 4 4 ALA N N 15 126.866 0.3 . 1 . . . . . 4 ALA N . 15652 1 30 . 1 1 5 5 GLN H H 1 8.521 0.03 . 1 . . . . . 5 GLN H . 15652 1 31 . 1 1 5 5 GLN HA H 1 4.652 0.03 . 1 . . . . . 5 GLN HA . 15652 1 32 . 1 1 5 5 GLN HB2 H 1 2.067 0.03 . 2 . . . . . 5 GLN HB2 . 15652 1 33 . 1 1 5 5 GLN HB3 H 1 1.920 0.03 . 2 . . . . . 5 GLN HB3 . 15652 1 34 . 1 1 5 5 GLN HE21 H 1 7.572 0.03 . 1 . . . . . 5 GLN HE21 . 15652 1 35 . 1 1 5 5 GLN HE22 H 1 6.879 0.03 . 1 . . . . . 5 GLN HE22 . 15652 1 36 . 1 1 5 5 GLN HG2 H 1 2.379 0.03 . 2 . . . . . 5 GLN HG2 . 15652 1 37 . 1 1 5 5 GLN HG3 H 1 2.379 0.03 . 2 . . . . . 5 GLN HG3 . 15652 1 38 . 1 1 5 5 GLN C C 13 173.576 0.3 . 1 . . . . . 5 GLN C . 15652 1 39 . 1 1 5 5 GLN CA C 13 53.470 0.3 . 1 . . . . . 5 GLN CA . 15652 1 40 . 1 1 5 5 GLN CB C 13 29.457 0.3 . 1 . . . . . 5 GLN CB . 15652 1 41 . 1 1 5 5 GLN CG C 13 33.603 0.3 . 1 . . . . . 5 GLN CG . 15652 1 42 . 1 1 5 5 GLN N N 15 122.182 0.3 . 1 . . . . . 5 GLN N . 15652 1 43 . 1 1 5 5 GLN NE2 N 15 112.508 0.3 . 1 . . . . . 5 GLN NE2 . 15652 1 44 . 1 1 6 6 PRO HA H 1 4.587 0.03 . 1 . . . . . 6 PRO HA . 15652 1 45 . 1 1 6 6 PRO HB2 H 1 2.194 0.03 . 2 . . . . . 6 PRO HB2 . 15652 1 46 . 1 1 6 6 PRO HB3 H 1 1.725 0.03 . 2 . . . . . 6 PRO HB3 . 15652 1 47 . 1 1 6 6 PRO HD2 H 1 3.751 0.03 . 2 . . . . . 6 PRO HD2 . 15652 1 48 . 1 1 6 6 PRO HD3 H 1 3.690 0.03 . 2 . . . . . 6 PRO HD3 . 15652 1 49 . 1 1 6 6 PRO HG2 H 1 1.952 0.03 . 2 . . . . . 6 PRO HG2 . 15652 1 50 . 1 1 6 6 PRO HG3 H 1 1.907 0.03 . 2 . . . . . 6 PRO HG3 . 15652 1 51 . 1 1 6 6 PRO C C 13 176.481 0.3 . 1 . . . . . 6 PRO C . 15652 1 52 . 1 1 6 6 PRO CA C 13 63.028 0.3 . 1 . . . . . 6 PRO CA . 15652 1 53 . 1 1 6 6 PRO CB C 13 32.905 0.3 . 1 . . . . . 6 PRO CB . 15652 1 54 . 1 1 6 6 PRO CD C 13 50.736 0.3 . 1 . . . . . 6 PRO CD . 15652 1 55 . 1 1 6 6 PRO CG C 13 27.054 0.3 . 1 . . . . . 6 PRO CG . 15652 1 56 . 1 1 7 7 ILE H H 1 8.581 0.03 . 1 . . . . . 7 ILE H . 15652 1 57 . 1 1 7 7 ILE HA H 1 4.245 0.03 . 1 . . . . . 7 ILE HA . 15652 1 58 . 1 1 7 7 ILE HB H 1 1.876 0.03 . 1 . . . . . 7 ILE HB . 15652 1 59 . 1 1 7 7 ILE HD11 H 1 0.721 0.03 . 1 . . . . . 7 ILE HD1 . 15652 1 60 . 1 1 7 7 ILE HD12 H 1 0.721 0.03 . 1 . . . . . 7 ILE HD1 . 15652 1 61 . 1 1 7 7 ILE HD13 H 1 0.721 0.03 . 1 . . . . . 7 ILE HD1 . 15652 1 62 . 1 1 7 7 ILE HG12 H 1 1.539 0.03 . 2 . . . . . 7 ILE HG12 . 15652 1 63 . 1 1 7 7 ILE HG13 H 1 1.053 0.03 . 2 . . . . . 7 ILE HG13 . 15652 1 64 . 1 1 7 7 ILE HG21 H 1 0.864 0.03 . 1 . . . . . 7 ILE HG2 . 15652 1 65 . 1 1 7 7 ILE HG22 H 1 0.864 0.03 . 1 . . . . . 7 ILE HG2 . 15652 1 66 . 1 1 7 7 ILE HG23 H 1 0.864 0.03 . 1 . . . . . 7 ILE HG2 . 15652 1 67 . 1 1 7 7 ILE C C 13 174.129 0.3 . 1 . . . . . 7 ILE C . 15652 1 68 . 1 1 7 7 ILE CA C 13 60.613 0.3 . 1 . . . . . 7 ILE CA . 15652 1 69 . 1 1 7 7 ILE CB C 13 40.266 0.3 . 1 . . . . . 7 ILE CB . 15652 1 70 . 1 1 7 7 ILE CD1 C 13 13.916 0.3 . 1 . . . . . 7 ILE CD1 . 15652 1 71 . 1 1 7 7 ILE CG1 C 13 27.605 0.3 . 1 . . . . . 7 ILE CG1 . 15652 1 72 . 1 1 7 7 ILE CG2 C 13 17.505 0.3 . 1 . . . . . 7 ILE CG2 . 15652 1 73 . 1 1 7 7 ILE N N 15 120.418 0.3 . 1 . . . . . 7 ILE N . 15652 1 74 . 1 1 8 8 GLU H H 1 8.572 0.03 . 1 . . . . . 8 GLU H . 15652 1 75 . 1 1 8 8 GLU HA H 1 5.363 0.03 . 1 . . . . . 8 GLU HA . 15652 1 76 . 1 1 8 8 GLU HB2 H 1 1.986 0.03 . 2 . . . . . 8 GLU HB2 . 15652 1 77 . 1 1 8 8 GLU HB3 H 1 1.812 0.03 . 2 . . . . . 8 GLU HB3 . 15652 1 78 . 1 1 8 8 GLU HG2 H 1 2.131 0.03 . 2 . . . . . 8 GLU HG2 . 15652 1 79 . 1 1 8 8 GLU HG3 H 1 1.829 0.03 . 2 . . . . . 8 GLU HG3 . 15652 1 80 . 1 1 8 8 GLU C C 13 175.806 0.3 . 1 . . . . . 8 GLU C . 15652 1 81 . 1 1 8 8 GLU CA C 13 54.749 0.3 . 1 . . . . . 8 GLU CA . 15652 1 82 . 1 1 8 8 GLU CB C 13 31.505 0.3 . 1 . . . . . 8 GLU CB . 15652 1 83 . 1 1 8 8 GLU CG C 13 36.104 0.3 . 1 . . . . . 8 GLU CG . 15652 1 84 . 1 1 8 8 GLU N N 15 128.440 0.3 . 1 . . . . . 8 GLU N . 15652 1 85 . 1 1 9 9 ILE H H 1 8.591 0.03 . 1 . . . . . 9 ILE H . 15652 1 86 . 1 1 9 9 ILE HA H 1 4.111 0.03 . 1 . . . . . 9 ILE HA . 15652 1 87 . 1 1 9 9 ILE HB H 1 1.701 0.03 . 1 . . . . . 9 ILE HB . 15652 1 88 . 1 1 9 9 ILE HD11 H 1 0.669 0.03 . 1 . . . . . 9 ILE HD1 . 15652 1 89 . 1 1 9 9 ILE HD12 H 1 0.669 0.03 . 1 . . . . . 9 ILE HD1 . 15652 1 90 . 1 1 9 9 ILE HD13 H 1 0.669 0.03 . 1 . . . . . 9 ILE HD1 . 15652 1 91 . 1 1 9 9 ILE HG12 H 1 1.508 0.03 . 2 . . . . . 9 ILE HG12 . 15652 1 92 . 1 1 9 9 ILE HG13 H 1 0.827 0.03 . 2 . . . . . 9 ILE HG13 . 15652 1 93 . 1 1 9 9 ILE HG21 H 1 0.126 0.03 . 1 . . . . . 9 ILE HG2 . 15652 1 94 . 1 1 9 9 ILE HG22 H 1 0.126 0.03 . 1 . . . . . 9 ILE HG2 . 15652 1 95 . 1 1 9 9 ILE HG23 H 1 0.126 0.03 . 1 . . . . . 9 ILE HG2 . 15652 1 96 . 1 1 9 9 ILE C C 13 174.977 0.3 . 1 . . . . . 9 ILE C . 15652 1 97 . 1 1 9 9 ILE CA C 13 60.967 0.3 . 1 . . . . . 9 ILE CA . 15652 1 98 . 1 1 9 9 ILE CB C 13 41.559 0.3 . 1 . . . . . 9 ILE CB . 15652 1 99 . 1 1 9 9 ILE CD1 C 13 13.382 0.3 . 1 . . . . . 9 ILE CD1 . 15652 1 100 . 1 1 9 9 ILE CG1 C 13 27.368 0.3 . 1 . . . . . 9 ILE CG1 . 15652 1 101 . 1 1 9 9 ILE CG2 C 13 17.426 0.3 . 1 . . . . . 9 ILE CG2 . 15652 1 102 . 1 1 9 9 ILE N N 15 123.957 0.3 . 1 . . . . . 9 ILE N . 15652 1 103 . 1 1 10 10 ALA H H 1 9.398 0.03 . 1 . . . . . 10 ALA H . 15652 1 104 . 1 1 10 10 ALA HA H 1 4.072 0.03 . 1 . . . . . 10 ALA HA . 15652 1 105 . 1 1 10 10 ALA HB1 H 1 1.454 0.03 . 1 . . . . . 10 ALA HB . 15652 1 106 . 1 1 10 10 ALA HB2 H 1 1.454 0.03 . 1 . . . . . 10 ALA HB . 15652 1 107 . 1 1 10 10 ALA HB3 H 1 1.454 0.03 . 1 . . . . . 10 ALA HB . 15652 1 108 . 1 1 10 10 ALA C C 13 177.026 0.3 . 1 . . . . . 10 ALA C . 15652 1 109 . 1 1 10 10 ALA CA C 13 52.646 0.3 . 1 . . . . . 10 ALA CA . 15652 1 110 . 1 1 10 10 ALA CB C 13 18.121 0.3 . 1 . . . . . 10 ALA CB . 15652 1 111 . 1 1 10 10 ALA N N 15 130.074 0.3 . 1 . . . . . 10 ALA N . 15652 1 112 . 1 1 11 11 GLY H H 1 8.958 0.03 . 1 . . . . . 11 GLY H . 15652 1 113 . 1 1 11 11 GLY HA2 H 1 4.046 0.03 . 2 . . . . . 11 GLY HA2 . 15652 1 114 . 1 1 11 11 GLY HA3 H 1 3.570 0.03 . 2 . . . . . 11 GLY HA3 . 15652 1 115 . 1 1 11 11 GLY C C 13 174.139 0.3 . 1 . . . . . 11 GLY C . 15652 1 116 . 1 1 11 11 GLY CA C 13 45.467 0.3 . 1 . . . . . 11 GLY CA . 15652 1 117 . 1 1 11 11 GLY N N 15 105.460 0.3 . 1 . . . . . 11 GLY N . 15652 1 118 . 1 1 12 12 HIS H H 1 8.189 0.03 . 1 . . . . . 12 HIS H . 15652 1 119 . 1 1 12 12 HIS HA H 1 4.325 0.03 . 1 . . . . . 12 HIS HA . 15652 1 120 . 1 1 12 12 HIS HB2 H 1 3.145 0.03 . 2 . . . . . 12 HIS HB2 . 15652 1 121 . 1 1 12 12 HIS HB3 H 1 2.258 0.03 . 2 . . . . . 12 HIS HB3 . 15652 1 122 . 1 1 12 12 HIS HD2 H 1 7.093 0.03 . 1 . . . . . 12 HIS HD2 . 15652 1 123 . 1 1 12 12 HIS HE1 H 1 8.450 0.03 . 1 . . . . . 12 HIS HE1 . 15652 1 124 . 1 1 12 12 HIS C C 13 173.060 0.3 . 1 . . . . . 12 HIS C . 15652 1 125 . 1 1 12 12 HIS CA C 13 54.628 0.3 . 1 . . . . . 12 HIS CA . 15652 1 126 . 1 1 12 12 HIS CB C 13 30.432 0.3 . 1 . . . . . 12 HIS CB . 15652 1 127 . 1 1 12 12 HIS CD2 C 13 120.709 0.3 . 1 . . . . . 12 HIS CD2 . 15652 1 128 . 1 1 12 12 HIS CE1 C 13 136.779 0.3 . 1 . . . . . 12 HIS CE1 . 15652 1 129 . 1 1 12 12 HIS N N 15 120.216 0.3 . 1 . . . . . 12 HIS N . 15652 1 130 . 1 1 13 13 GLU H H 1 8.338 0.03 . 1 . . . . . 13 GLU H . 15652 1 131 . 1 1 13 13 GLU HA H 1 4.659 0.03 . 1 . . . . . 13 GLU HA . 15652 1 132 . 1 1 13 13 GLU HB2 H 1 1.741 0.03 . 2 . . . . . 13 GLU HB2 . 15652 1 133 . 1 1 13 13 GLU HB3 H 1 1.741 0.03 . 2 . . . . . 13 GLU HB3 . 15652 1 134 . 1 1 13 13 GLU HG2 H 1 2.047 0.03 . 2 . . . . . 13 GLU HG2 . 15652 1 135 . 1 1 13 13 GLU HG3 H 1 1.870 0.03 . 2 . . . . . 13 GLU HG3 . 15652 1 136 . 1 1 13 13 GLU C C 13 175.231 0.3 . 1 . . . . . 13 GLU C . 15652 1 137 . 1 1 13 13 GLU CA C 13 55.147 0.3 . 1 . . . . . 13 GLU CA . 15652 1 138 . 1 1 13 13 GLU CB C 13 31.218 0.3 . 1 . . . . . 13 GLU CB . 15652 1 139 . 1 1 13 13 GLU CG C 13 36.844 0.3 . 1 . . . . . 13 GLU CG . 15652 1 140 . 1 1 13 13 GLU N N 15 122.925 0.3 . 1 . . . . . 13 GLU N . 15652 1 141 . 1 1 14 14 PHE H H 1 9.117 0.03 . 1 . . . . . 14 PHE H . 15652 1 142 . 1 1 14 14 PHE HA H 1 4.941 0.03 . 1 . . . . . 14 PHE HA . 15652 1 143 . 1 1 14 14 PHE HB2 H 1 3.143 0.03 . 2 . . . . . 14 PHE HB2 . 15652 1 144 . 1 1 14 14 PHE HB3 H 1 2.806 0.03 . 2 . . . . . 14 PHE HB3 . 15652 1 145 . 1 1 14 14 PHE HD1 H 1 7.111 0.03 . 3 . . . . . 14 PHE HD1 . 15652 1 146 . 1 1 14 14 PHE HD2 H 1 7.114 0.03 . 3 . . . . . 14 PHE HD2 . 15652 1 147 . 1 1 14 14 PHE HE1 H 1 7.059 0.03 . 3 . . . . . 14 PHE HE1 . 15652 1 148 . 1 1 14 14 PHE HE2 H 1 7.059 0.03 . 3 . . . . . 14 PHE HE2 . 15652 1 149 . 1 1 14 14 PHE HZ H 1 5.906 0.03 . 1 . . . . . 14 PHE HZ . 15652 1 150 . 1 1 14 14 PHE C C 13 175.179 0.3 . 1 . . . . . 14 PHE C . 15652 1 151 . 1 1 14 14 PHE CA C 13 56.302 0.3 . 1 . . . . . 14 PHE CA . 15652 1 152 . 1 1 14 14 PHE CB C 13 41.499 0.3 . 1 . . . . . 14 PHE CB . 15652 1 153 . 1 1 14 14 PHE CD1 C 13 132.423 0.3 . 3 . . . . . 14 PHE CD1 . 15652 1 154 . 1 1 14 14 PHE CD2 C 13 132.423 0.3 . 3 . . . . . 14 PHE CD2 . 15652 1 155 . 1 1 14 14 PHE CE1 C 13 131.052 0.3 . 3 . . . . . 14 PHE CE1 . 15652 1 156 . 1 1 14 14 PHE CE2 C 13 131.052 0.3 . 3 . . . . . 14 PHE CE2 . 15652 1 157 . 1 1 14 14 PHE CZ C 13 128.228 0.3 . 1 . . . . . 14 PHE CZ . 15652 1 158 . 1 1 14 14 PHE N N 15 123.141 0.3 . 1 . . . . . 14 PHE N . 15652 1 159 . 1 1 15 15 ALA H H 1 9.393 0.03 . 1 . . . . . 15 ALA H . 15652 1 160 . 1 1 15 15 ALA HA H 1 4.130 0.03 . 1 . . . . . 15 ALA HA . 15652 1 161 . 1 1 15 15 ALA HB1 H 1 1.549 0.03 . 1 . . . . . 15 ALA HB . 15652 1 162 . 1 1 15 15 ALA HB2 H 1 1.549 0.03 . 1 . . . . . 15 ALA HB . 15652 1 163 . 1 1 15 15 ALA HB3 H 1 1.549 0.03 . 1 . . . . . 15 ALA HB . 15652 1 164 . 1 1 15 15 ALA C C 13 177.675 0.3 . 1 . . . . . 15 ALA C . 15652 1 165 . 1 1 15 15 ALA CA C 13 54.880 0.3 . 1 . . . . . 15 ALA CA . 15652 1 166 . 1 1 15 15 ALA CB C 13 18.986 0.3 . 1 . . . . . 15 ALA CB . 15652 1 167 . 1 1 15 15 ALA N N 15 126.102 0.3 . 1 . . . . . 15 ALA N . 15652 1 168 . 1 1 16 16 ARG H H 1 7.756 0.03 . 1 . . . . . 16 ARG H . 15652 1 169 . 1 1 16 16 ARG HA H 1 4.809 0.03 . 1 . . . . . 16 ARG HA . 15652 1 170 . 1 1 16 16 ARG HB2 H 1 2.183 0.03 . 2 . . . . . 16 ARG HB2 . 15652 1 171 . 1 1 16 16 ARG HB3 H 1 1.859 0.03 . 2 . . . . . 16 ARG HB3 . 15652 1 172 . 1 1 16 16 ARG HD2 H 1 3.283 0.03 . 2 . . . . . 16 ARG HD2 . 15652 1 173 . 1 1 16 16 ARG HD3 H 1 3.283 0.03 . 2 . . . . . 16 ARG HD3 . 15652 1 174 . 1 1 16 16 ARG HG2 H 1 1.768 0.03 . 2 . . . . . 16 ARG HG2 . 15652 1 175 . 1 1 16 16 ARG HG3 H 1 1.532 0.03 . 2 . . . . . 16 ARG HG3 . 15652 1 176 . 1 1 16 16 ARG C C 13 177.344 0.3 . 1 . . . . . 16 ARG C . 15652 1 177 . 1 1 16 16 ARG CA C 13 53.409 0.3 . 1 . . . . . 16 ARG CA . 15652 1 178 . 1 1 16 16 ARG CB C 13 33.323 0.3 . 1 . . . . . 16 ARG CB . 15652 1 179 . 1 1 16 16 ARG CD C 13 43.412 0.3 . 1 . . . . . 16 ARG CD . 15652 1 180 . 1 1 16 16 ARG CG C 13 26.389 0.3 . 1 . . . . . 16 ARG CG . 15652 1 181 . 1 1 16 16 ARG N N 15 110.189 0.3 . 1 . . . . . 16 ARG N . 15652 1 182 . 1 1 17 17 LYS H H 1 9.303 0.03 . 1 . . . . . 17 LYS H . 15652 1 183 . 1 1 17 17 LYS HA H 1 3.742 0.03 . 1 . . . . . 17 LYS HA . 15652 1 184 . 1 1 17 17 LYS HB2 H 1 1.927 0.03 . 2 . . . . . 17 LYS HB2 . 15652 1 185 . 1 1 17 17 LYS HB3 H 1 1.838 0.03 . 2 . . . . . 17 LYS HB3 . 15652 1 186 . 1 1 17 17 LYS HD2 H 1 1.757 0.03 . 2 . . . . . 17 LYS HD2 . 15652 1 187 . 1 1 17 17 LYS HD3 H 1 1.757 0.03 . 2 . . . . . 17 LYS HD3 . 15652 1 188 . 1 1 17 17 LYS HE2 H 1 3.030 0.03 . 2 . . . . . 17 LYS HE2 . 15652 1 189 . 1 1 17 17 LYS HE3 H 1 3.030 0.03 . 2 . . . . . 17 LYS HE3 . 15652 1 190 . 1 1 17 17 LYS HG2 H 1 1.544 0.03 . 2 . . . . . 17 LYS HG2 . 15652 1 191 . 1 1 17 17 LYS HG3 H 1 1.365 0.03 . 2 . . . . . 17 LYS HG3 . 15652 1 192 . 1 1 17 17 LYS C C 13 178.667 0.3 . 1 . . . . . 17 LYS C . 15652 1 193 . 1 1 17 17 LYS CA C 13 60.663 0.3 . 1 . . . . . 17 LYS CA . 15652 1 194 . 1 1 17 17 LYS CB C 13 32.005 0.3 . 1 . . . . . 17 LYS CB . 15652 1 195 . 1 1 17 17 LYS CD C 13 29.658 0.3 . 1 . . . . . 17 LYS CD . 15652 1 196 . 1 1 17 17 LYS CE C 13 42.298 0.3 . 1 . . . . . 17 LYS CE . 15652 1 197 . 1 1 17 17 LYS CG C 13 25.526 0.3 . 1 . . . . . 17 LYS CG . 15652 1 198 . 1 1 17 17 LYS N N 15 125.242 0.3 . 1 . . . . . 17 LYS N . 15652 1 199 . 1 1 18 18 ALA H H 1 8.777 0.03 . 1 . . . . . 18 ALA H . 15652 1 200 . 1 1 18 18 ALA HA H 1 4.046 0.03 . 1 . . . . . 18 ALA HA . 15652 1 201 . 1 1 18 18 ALA HB1 H 1 1.429 0.03 . 1 . . . . . 18 ALA HB . 15652 1 202 . 1 1 18 18 ALA HB2 H 1 1.429 0.03 . 1 . . . . . 18 ALA HB . 15652 1 203 . 1 1 18 18 ALA HB3 H 1 1.429 0.03 . 1 . . . . . 18 ALA HB . 15652 1 204 . 1 1 18 18 ALA C C 13 180.134 0.3 . 1 . . . . . 18 ALA C . 15652 1 205 . 1 1 18 18 ALA CA C 13 55.181 0.3 . 1 . . . . . 18 ALA CA . 15652 1 206 . 1 1 18 18 ALA CB C 13 18.633 0.3 . 1 . . . . . 18 ALA CB . 15652 1 207 . 1 1 18 18 ALA N N 15 118.670 0.3 . 1 . . . . . 18 ALA N . 15652 1 208 . 1 1 19 19 ASP H H 1 7.454 0.03 . 1 . . . . . 19 ASP H . 15652 1 209 . 1 1 19 19 ASP HA H 1 4.586 0.03 . 1 . . . . . 19 ASP HA . 15652 1 210 . 1 1 19 19 ASP HB2 H 1 3.180 0.03 . 2 . . . . . 19 ASP HB2 . 15652 1 211 . 1 1 19 19 ASP HB3 H 1 3.105 0.03 . 2 . . . . . 19 ASP HB3 . 15652 1 212 . 1 1 19 19 ASP C C 13 178.469 0.3 . 1 . . . . . 19 ASP C . 15652 1 213 . 1 1 19 19 ASP CA C 13 57.082 0.3 . 1 . . . . . 19 ASP CA . 15652 1 214 . 1 1 19 19 ASP CB C 13 41.304 0.3 . 1 . . . . . 19 ASP CB . 15652 1 215 . 1 1 19 19 ASP N N 15 117.020 0.3 . 1 . . . . . 19 ASP N . 15652 1 216 . 1 1 20 20 ALA H H 1 7.123 0.03 . 1 . . . . . 20 ALA H . 15652 1 217 . 1 1 20 20 ALA HA H 1 2.604 0.03 . 1 . . . . . 20 ALA HA . 15652 1 218 . 1 1 20 20 ALA HB1 H 1 0.914 0.03 . 1 . . . . . 20 ALA HB . 15652 1 219 . 1 1 20 20 ALA HB2 H 1 0.914 0.03 . 1 . . . . . 20 ALA HB . 15652 1 220 . 1 1 20 20 ALA HB3 H 1 0.914 0.03 . 1 . . . . . 20 ALA HB . 15652 1 221 . 1 1 20 20 ALA C C 13 178.706 0.3 . 1 . . . . . 20 ALA C . 15652 1 222 . 1 1 20 20 ALA CA C 13 54.453 0.3 . 1 . . . . . 20 ALA CA . 15652 1 223 . 1 1 20 20 ALA CB C 13 18.199 0.3 . 1 . . . . . 20 ALA CB . 15652 1 224 . 1 1 20 20 ALA N N 15 124.691 0.3 . 1 . . . . . 20 ALA N . 15652 1 225 . 1 1 21 21 LEU H H 1 7.871 0.03 . 1 . . . . . 21 LEU H . 15652 1 226 . 1 1 21 21 LEU HA H 1 4.008 0.03 . 1 . . . . . 21 LEU HA . 15652 1 227 . 1 1 21 21 LEU HB2 H 1 1.865 0.03 . 2 . . . . . 21 LEU HB2 . 15652 1 228 . 1 1 21 21 LEU HB3 H 1 1.733 0.03 . 2 . . . . . 21 LEU HB3 . 15652 1 229 . 1 1 21 21 LEU HD11 H 1 0.951 0.03 . 1 . . . . . 21 LEU HD1 . 15652 1 230 . 1 1 21 21 LEU HD12 H 1 0.951 0.03 . 1 . . . . . 21 LEU HD1 . 15652 1 231 . 1 1 21 21 LEU HD13 H 1 0.951 0.03 . 1 . . . . . 21 LEU HD1 . 15652 1 232 . 1 1 21 21 LEU HD21 H 1 0.983 0.03 . 1 . . . . . 21 LEU HD2 . 15652 1 233 . 1 1 21 21 LEU HD22 H 1 0.983 0.03 . 1 . . . . . 21 LEU HD2 . 15652 1 234 . 1 1 21 21 LEU HD23 H 1 0.983 0.03 . 1 . . . . . 21 LEU HD2 . 15652 1 235 . 1 1 21 21 LEU HG H 1 1.723 0.03 . 1 . . . . . 21 LEU HG . 15652 1 236 . 1 1 21 21 LEU C C 13 179.041 0.3 . 1 . . . . . 21 LEU C . 15652 1 237 . 1 1 21 21 LEU CA C 13 58.398 0.3 . 1 . . . . . 21 LEU CA . 15652 1 238 . 1 1 21 21 LEU CB C 13 41.382 0.3 . 1 . . . . . 21 LEU CB . 15652 1 239 . 1 1 21 21 LEU CD1 C 13 25.576 0.3 . 1 . . . . . 21 LEU CD1 . 15652 1 240 . 1 1 21 21 LEU CD2 C 13 23.980 0.3 . 1 . . . . . 21 LEU CD2 . 15652 1 241 . 1 1 21 21 LEU CG C 13 27.265 0.3 . 1 . . . . . 21 LEU CG . 15652 1 242 . 1 1 21 21 LEU N N 15 116.889 0.3 . 1 . . . . . 21 LEU N . 15652 1 243 . 1 1 22 22 ALA H H 1 7.972 0.03 . 1 . . . . . 22 ALA H . 15652 1 244 . 1 1 22 22 ALA HA H 1 4.158 0.03 . 1 . . . . . 22 ALA HA . 15652 1 245 . 1 1 22 22 ALA HB1 H 1 1.587 0.03 . 1 . . . . . 22 ALA HB . 15652 1 246 . 1 1 22 22 ALA HB2 H 1 1.587 0.03 . 1 . . . . . 22 ALA HB . 15652 1 247 . 1 1 22 22 ALA HB3 H 1 1.587 0.03 . 1 . . . . . 22 ALA HB . 15652 1 248 . 1 1 22 22 ALA C C 13 179.288 0.3 . 1 . . . . . 22 ALA C . 15652 1 249 . 1 1 22 22 ALA CA C 13 55.180 0.3 . 1 . . . . . 22 ALA CA . 15652 1 250 . 1 1 22 22 ALA CB C 13 18.013 0.3 . 1 . . . . . 22 ALA CB . 15652 1 251 . 1 1 22 22 ALA N N 15 121.219 0.3 . 1 . . . . . 22 ALA N . 15652 1 252 . 1 1 23 23 PHE H H 1 7.546 0.03 . 1 . . . . . 23 PHE H . 15652 1 253 . 1 1 23 23 PHE HA H 1 4.081 0.03 . 1 . . . . . 23 PHE HA . 15652 1 254 . 1 1 23 23 PHE HB2 H 1 3.199 0.03 . 2 . . . . . 23 PHE HB2 . 15652 1 255 . 1 1 23 23 PHE HB3 H 1 3.009 0.03 . 2 . . . . . 23 PHE HB3 . 15652 1 256 . 1 1 23 23 PHE HD1 H 1 6.772 0.03 . 3 . . . . . 23 PHE HD1 . 15652 1 257 . 1 1 23 23 PHE HD2 H 1 6.773 0.03 . 3 . . . . . 23 PHE HD2 . 15652 1 258 . 1 1 23 23 PHE HE1 H 1 6.365 0.03 . 3 . . . . . 23 PHE HE1 . 15652 1 259 . 1 1 23 23 PHE HE2 H 1 6.362 0.03 . 3 . . . . . 23 PHE HE2 . 15652 1 260 . 1 1 23 23 PHE HZ H 1 6.692 0.03 . 1 . . . . . 23 PHE HZ . 15652 1 261 . 1 1 23 23 PHE C C 13 178.515 0.3 . 1 . . . . . 23 PHE C . 15652 1 262 . 1 1 23 23 PHE CA C 13 61.520 0.3 . 1 . . . . . 23 PHE CA . 15652 1 263 . 1 1 23 23 PHE CB C 13 40.296 0.3 . 1 . . . . . 23 PHE CB . 15652 1 264 . 1 1 23 23 PHE CD1 C 13 131.812 0.3 . 3 . . . . . 23 PHE CD1 . 15652 1 265 . 1 1 23 23 PHE CD2 C 13 131.812 0.3 . 3 . . . . . 23 PHE CD2 . 15652 1 266 . 1 1 23 23 PHE CE1 C 13 131.373 0.3 . 3 . . . . . 23 PHE CE1 . 15652 1 267 . 1 1 23 23 PHE CE2 C 13 131.360 0.3 . 3 . . . . . 23 PHE CE2 . 15652 1 268 . 1 1 23 23 PHE CZ C 13 129.370 0.3 . 1 . . . . . 23 PHE CZ . 15652 1 269 . 1 1 23 23 PHE N N 15 119.034 0.3 . 1 . . . . . 23 PHE N . 15652 1 270 . 1 1 24 24 MET H H 1 7.595 0.03 . 1 . . . . . 24 MET H . 15652 1 271 . 1 1 24 24 MET HA H 1 3.768 0.03 . 1 . . . . . 24 MET HA . 15652 1 272 . 1 1 24 24 MET HB2 H 1 2.017 0.03 . 2 . . . . . 24 MET HB2 . 15652 1 273 . 1 1 24 24 MET HB3 H 1 1.343 0.03 . 2 . . . . . 24 MET HB3 . 15652 1 274 . 1 1 24 24 MET HE1 H 1 1.958 0.03 . 1 . . . . . 24 MET HE . 15652 1 275 . 1 1 24 24 MET HE2 H 1 1.958 0.03 . 1 . . . . . 24 MET HE . 15652 1 276 . 1 1 24 24 MET HE3 H 1 1.958 0.03 . 1 . . . . . 24 MET HE . 15652 1 277 . 1 1 24 24 MET HG2 H 1 2.841 0.03 . 2 . . . . . 24 MET HG2 . 15652 1 278 . 1 1 24 24 MET HG3 H 1 2.280 0.03 . 2 . . . . . 24 MET HG3 . 15652 1 279 . 1 1 24 24 MET C C 13 176.037 0.3 . 1 . . . . . 24 MET C . 15652 1 280 . 1 1 24 24 MET CA C 13 59.901 0.3 . 1 . . . . . 24 MET CA . 15652 1 281 . 1 1 24 24 MET CB C 13 34.008 0.3 . 1 . . . . . 24 MET CB . 15652 1 282 . 1 1 24 24 MET CE C 13 17.732 0.3 . 1 . . . . . 24 MET CE . 15652 1 283 . 1 1 24 24 MET CG C 13 35.487 0.3 . 1 . . . . . 24 MET CG . 15652 1 284 . 1 1 24 24 MET N N 15 118.377 0.3 . 1 . . . . . 24 MET N . 15652 1 285 . 1 1 25 25 LYS H H 1 8.131 0.03 . 1 . . . . . 25 LYS H . 15652 1 286 . 1 1 25 25 LYS HA H 1 3.747 0.03 . 1 . . . . . 25 LYS HA . 15652 1 287 . 1 1 25 25 LYS HB2 H 1 2.004 0.03 . 2 . . . . . 25 LYS HB2 . 15652 1 288 . 1 1 25 25 LYS HB3 H 1 2.022 0.03 . 2 . . . . . 25 LYS HB3 . 15652 1 289 . 1 1 25 25 LYS HD2 H 1 1.761 0.03 . 2 . . . . . 25 LYS HD2 . 15652 1 290 . 1 1 25 25 LYS HD3 H 1 1.761 0.03 . 2 . . . . . 25 LYS HD3 . 15652 1 291 . 1 1 25 25 LYS HE2 H 1 3.000 0.03 . 2 . . . . . 25 LYS HE2 . 15652 1 292 . 1 1 25 25 LYS HE3 H 1 3.000 0.03 . 2 . . . . . 25 LYS HE3 . 15652 1 293 . 1 1 25 25 LYS HG2 H 1 1.445 0.03 . 2 . . . . . 25 LYS HG2 . 15652 1 294 . 1 1 25 25 LYS HG3 H 1 1.355 0.03 . 2 . . . . . 25 LYS HG3 . 15652 1 295 . 1 1 25 25 LYS C C 13 178.865 0.3 . 1 . . . . . 25 LYS C . 15652 1 296 . 1 1 25 25 LYS CA C 13 59.994 0.3 . 1 . . . . . 25 LYS CA . 15652 1 297 . 1 1 25 25 LYS CB C 13 32.365 0.3 . 1 . . . . . 25 LYS CB . 15652 1 298 . 1 1 25 25 LYS CD C 13 29.667 0.3 . 1 . . . . . 25 LYS CD . 15652 1 299 . 1 1 25 25 LYS CE C 13 42.271 0.3 . 1 . . . . . 25 LYS CE . 15652 1 300 . 1 1 25 25 LYS CG C 13 25.472 0.3 . 1 . . . . . 25 LYS CG . 15652 1 301 . 1 1 25 25 LYS N N 15 121.901 0.3 . 1 . . . . . 25 LYS N . 15652 1 302 . 1 1 26 26 VAL H H 1 7.986 0.03 . 1 . . . . . 26 VAL H . 15652 1 303 . 1 1 26 26 VAL HA H 1 3.515 0.03 . 1 . . . . . 26 VAL HA . 15652 1 304 . 1 1 26 26 VAL HB H 1 1.898 0.03 . 1 . . . . . 26 VAL HB . 15652 1 305 . 1 1 26 26 VAL HG11 H 1 0.777 0.03 . 1 . . . . . 26 VAL HG1 . 15652 1 306 . 1 1 26 26 VAL HG12 H 1 0.777 0.03 . 1 . . . . . 26 VAL HG1 . 15652 1 307 . 1 1 26 26 VAL HG13 H 1 0.777 0.03 . 1 . . . . . 26 VAL HG1 . 15652 1 308 . 1 1 26 26 VAL HG21 H 1 1.004 0.03 . 1 . . . . . 26 VAL HG2 . 15652 1 309 . 1 1 26 26 VAL HG22 H 1 1.004 0.03 . 1 . . . . . 26 VAL HG2 . 15652 1 310 . 1 1 26 26 VAL HG23 H 1 1.004 0.03 . 1 . . . . . 26 VAL HG2 . 15652 1 311 . 1 1 26 26 VAL C C 13 178.654 0.3 . 1 . . . . . 26 VAL C . 15652 1 312 . 1 1 26 26 VAL CA C 13 66.337 0.3 . 1 . . . . . 26 VAL CA . 15652 1 313 . 1 1 26 26 VAL CB C 13 31.302 0.3 . 1 . . . . . 26 VAL CB . 15652 1 314 . 1 1 26 26 VAL CG1 C 13 21.302 0.3 . 1 . . . . . 26 VAL CG1 . 15652 1 315 . 1 1 26 26 VAL CG2 C 13 22.974 0.3 . 1 . . . . . 26 VAL CG2 . 15652 1 316 . 1 1 26 26 VAL N N 15 119.393 0.3 . 1 . . . . . 26 VAL N . 15652 1 317 . 1 1 27 27 MET H H 1 7.232 0.03 . 1 . . . . . 27 MET H . 15652 1 318 . 1 1 27 27 MET HA H 1 3.586 0.03 . 1 . . . . . 27 MET HA . 15652 1 319 . 1 1 27 27 MET HB2 H 1 2.108 0.03 . 2 . . . . . 27 MET HB2 . 15652 1 320 . 1 1 27 27 MET HB3 H 1 1.914 0.03 . 2 . . . . . 27 MET HB3 . 15652 1 321 . 1 1 27 27 MET HE1 H 1 1.721 0.03 . 1 . . . . . 27 MET HE . 15652 1 322 . 1 1 27 27 MET HE2 H 1 1.721 0.03 . 1 . . . . . 27 MET HE . 15652 1 323 . 1 1 27 27 MET HE3 H 1 1.721 0.03 . 1 . . . . . 27 MET HE . 15652 1 324 . 1 1 27 27 MET HG2 H 1 2.559 0.03 . 2 . . . . . 27 MET HG2 . 15652 1 325 . 1 1 27 27 MET HG3 H 1 2.212 0.03 . 2 . . . . . 27 MET HG3 . 15652 1 326 . 1 1 27 27 MET C C 13 177.564 0.3 . 1 . . . . . 27 MET C . 15652 1 327 . 1 1 27 27 MET CA C 13 59.113 0.3 . 1 . . . . . 27 MET CA . 15652 1 328 . 1 1 27 27 MET CB C 13 34.025 0.3 . 1 . . . . . 27 MET CB . 15652 1 329 . 1 1 27 27 MET CE C 13 16.017 0.3 . 1 . . . . . 27 MET CE . 15652 1 330 . 1 1 27 27 MET CG C 13 30.370 0.3 . 1 . . . . . 27 MET CG . 15652 1 331 . 1 1 27 27 MET N N 15 119.647 0.3 . 1 . . . . . 27 MET N . 15652 1 332 . 1 1 28 28 LEU H H 1 8.201 0.03 . 1 . . . . . 28 LEU H . 15652 1 333 . 1 1 28 28 LEU HA H 1 3.733 0.03 . 1 . . . . . 28 LEU HA . 15652 1 334 . 1 1 28 28 LEU HB2 H 1 1.846 0.03 . 2 . . . . . 28 LEU HB2 . 15652 1 335 . 1 1 28 28 LEU HB3 H 1 1.311 0.03 . 2 . . . . . 28 LEU HB3 . 15652 1 336 . 1 1 28 28 LEU HD11 H 1 -0.097 0.03 . 1 . . . . . 28 LEU HD1 . 15652 1 337 . 1 1 28 28 LEU HD12 H 1 -0.097 0.03 . 1 . . . . . 28 LEU HD1 . 15652 1 338 . 1 1 28 28 LEU HD13 H 1 -0.097 0.03 . 1 . . . . . 28 LEU HD1 . 15652 1 339 . 1 1 28 28 LEU HD21 H 1 0.719 0.03 . 1 . . . . . 28 LEU HD2 . 15652 1 340 . 1 1 28 28 LEU HD22 H 1 0.719 0.03 . 1 . . . . . 28 LEU HD2 . 15652 1 341 . 1 1 28 28 LEU HD23 H 1 0.719 0.03 . 1 . . . . . 28 LEU HD2 . 15652 1 342 . 1 1 28 28 LEU HG H 1 1.220 0.03 . 1 . . . . . 28 LEU HG . 15652 1 343 . 1 1 28 28 LEU C C 13 178.075 0.3 . 1 . . . . . 28 LEU C . 15652 1 344 . 1 1 28 28 LEU CA C 13 57.980 0.3 . 1 . . . . . 28 LEU CA . 15652 1 345 . 1 1 28 28 LEU CB C 13 41.151 0.3 . 1 . . . . . 28 LEU CB . 15652 1 346 . 1 1 28 28 LEU CD1 C 13 21.788 0.3 . 1 . . . . . 28 LEU CD1 . 15652 1 347 . 1 1 28 28 LEU CD2 C 13 26.113 0.3 . 1 . . . . . 28 LEU CD2 . 15652 1 348 . 1 1 28 28 LEU CG C 13 26.652 0.3 . 1 . . . . . 28 LEU CG . 15652 1 349 . 1 1 28 28 LEU N N 15 118.420 0.3 . 1 . . . . . 28 LEU N . 15652 1 350 . 1 1 29 29 ASN H H 1 7.579 0.03 . 1 . . . . . 29 ASN H . 15652 1 351 . 1 1 29 29 ASN HA H 1 4.512 0.03 . 1 . . . . . 29 ASN HA . 15652 1 352 . 1 1 29 29 ASN HB2 H 1 2.845 0.03 . 2 . . . . . 29 ASN HB2 . 15652 1 353 . 1 1 29 29 ASN HB3 H 1 2.726 0.03 . 2 . . . . . 29 ASN HB3 . 15652 1 354 . 1 1 29 29 ASN HD21 H 1 7.503 0.03 . 1 . . . . . 29 ASN HD21 . 15652 1 355 . 1 1 29 29 ASN HD22 H 1 6.842 0.03 . 1 . . . . . 29 ASN HD22 . 15652 1 356 . 1 1 29 29 ASN C C 13 176.087 0.3 . 1 . . . . . 29 ASN C . 15652 1 357 . 1 1 29 29 ASN CA C 13 54.286 0.3 . 1 . . . . . 29 ASN CA . 15652 1 358 . 1 1 29 29 ASN CB C 13 38.984 0.3 . 1 . . . . . 29 ASN CB . 15652 1 359 . 1 1 29 29 ASN N N 15 112.254 0.3 . 1 . . . . . 29 ASN N . 15652 1 360 . 1 1 29 29 ASN ND2 N 15 111.639 0.3 . 1 . . . . . 29 ASN ND2 . 15652 1 361 . 1 1 30 30 ARG H H 1 7.621 0.03 . 1 . . . . . 30 ARG H . 15652 1 362 . 1 1 30 30 ARG HA H 1 4.169 0.03 . 1 . . . . . 30 ARG HA . 15652 1 363 . 1 1 30 30 ARG HB2 H 1 1.762 0.03 . 2 . . . . . 30 ARG HB2 . 15652 1 364 . 1 1 30 30 ARG HB3 H 1 1.527 0.03 . 2 . . . . . 30 ARG HB3 . 15652 1 365 . 1 1 30 30 ARG HD2 H 1 3.067 0.03 . 2 . . . . . 30 ARG HD2 . 15652 1 366 . 1 1 30 30 ARG HD3 H 1 2.966 0.03 . 2 . . . . . 30 ARG HD3 . 15652 1 367 . 1 1 30 30 ARG HG2 H 1 1.567 0.03 . 2 . . . . . 30 ARG HG2 . 15652 1 368 . 1 1 30 30 ARG HG3 H 1 1.469 0.03 . 2 . . . . . 30 ARG HG3 . 15652 1 369 . 1 1 30 30 ARG C C 13 175.926 0.3 . 1 . . . . . 30 ARG C . 15652 1 370 . 1 1 30 30 ARG CA C 13 57.482 0.3 . 1 . . . . . 30 ARG CA . 15652 1 371 . 1 1 30 30 ARG CB C 13 30.404 0.3 . 1 . . . . . 30 ARG CB . 15652 1 372 . 1 1 30 30 ARG CD C 13 43.834 0.3 . 1 . . . . . 30 ARG CD . 15652 1 373 . 1 1 30 30 ARG CG C 13 28.370 0.3 . 1 . . . . . 30 ARG CG . 15652 1 374 . 1 1 30 30 ARG N N 15 118.878 0.3 . 1 . . . . . 30 ARG N . 15652 1 375 . 1 1 31 31 TYR H H 1 7.287 0.03 . 1 . . . . . 31 TYR H . 15652 1 376 . 1 1 31 31 TYR HA H 1 4.690 0.03 . 1 . . . . . 31 TYR HA . 15652 1 377 . 1 1 31 31 TYR HB2 H 1 3.249 0.03 . 2 . . . . . 31 TYR HB2 . 15652 1 378 . 1 1 31 31 TYR HB3 H 1 2.743 0.03 . 2 . . . . . 31 TYR HB3 . 15652 1 379 . 1 1 31 31 TYR HD1 H 1 7.577 0.03 . 3 . . . . . 31 TYR HD1 . 15652 1 380 . 1 1 31 31 TYR HD2 H 1 7.577 0.03 . 3 . . . . . 31 TYR HD2 . 15652 1 381 . 1 1 31 31 TYR HE1 H 1 6.953 0.03 . 3 . . . . . 31 TYR HE1 . 15652 1 382 . 1 1 31 31 TYR HE2 H 1 6.953 0.03 . 3 . . . . . 31 TYR HE2 . 15652 1 383 . 1 1 31 31 TYR C C 13 174.348 0.3 . 1 . . . . . 31 TYR C . 15652 1 384 . 1 1 31 31 TYR CA C 13 58.118 0.3 . 1 . . . . . 31 TYR CA . 15652 1 385 . 1 1 31 31 TYR CB C 13 43.045 0.3 . 1 . . . . . 31 TYR CB . 15652 1 386 . 1 1 31 31 TYR CD1 C 13 134.338 0.3 . 3 . . . . . 31 TYR CD1 . 15652 1 387 . 1 1 31 31 TYR CD2 C 13 134.338 0.3 . 3 . . . . . 31 TYR CD2 . 15652 1 388 . 1 1 31 31 TYR CE1 C 13 118.556 0.3 . 3 . . . . . 31 TYR CE1 . 15652 1 389 . 1 1 31 31 TYR CE2 C 13 118.556 0.3 . 3 . . . . . 31 TYR CE2 . 15652 1 390 . 1 1 31 31 TYR N N 15 118.414 0.3 . 1 . . . . . 31 TYR N . 15652 1 391 . 1 1 32 32 ARG H H 1 9.314 0.03 . 1 . . . . . 32 ARG H . 15652 1 392 . 1 1 32 32 ARG HA H 1 4.913 0.03 . 1 . . . . . 32 ARG HA . 15652 1 393 . 1 1 32 32 ARG HB2 H 1 1.803 0.03 . 2 . . . . . 32 ARG HB2 . 15652 1 394 . 1 1 32 32 ARG HB3 H 1 1.674 0.03 . 2 . . . . . 32 ARG HB3 . 15652 1 395 . 1 1 32 32 ARG HD2 H 1 3.291 0.03 . 2 . . . . . 32 ARG HD2 . 15652 1 396 . 1 1 32 32 ARG HD3 H 1 3.231 0.03 . 2 . . . . . 32 ARG HD3 . 15652 1 397 . 1 1 32 32 ARG HG2 H 1 1.699 0.03 . 2 . . . . . 32 ARG HG2 . 15652 1 398 . 1 1 32 32 ARG HG3 H 1 1.699 0.03 . 2 . . . . . 32 ARG HG3 . 15652 1 399 . 1 1 32 32 ARG C C 13 173.525 0.3 . 1 . . . . . 32 ARG C . 15652 1 400 . 1 1 32 32 ARG CA C 13 52.775 0.3 . 1 . . . . . 32 ARG CA . 15652 1 401 . 1 1 32 32 ARG CB C 13 30.292 0.3 . 1 . . . . . 32 ARG CB . 15652 1 402 . 1 1 32 32 ARG CD C 13 43.180 0.3 . 1 . . . . . 32 ARG CD . 15652 1 403 . 1 1 32 32 ARG CG C 13 26.746 0.3 . 1 . . . . . 32 ARG CG . 15652 1 404 . 1 1 32 32 ARG N N 15 121.876 0.3 . 1 . . . . . 32 ARG N . 15652 1 405 . 1 1 33 33 PRO HA H 1 3.870 0.03 . 1 . . . . . 33 PRO HA . 15652 1 406 . 1 1 33 33 PRO HB2 H 1 2.327 0.03 . 2 . . . . . 33 PRO HB2 . 15652 1 407 . 1 1 33 33 PRO HB3 H 1 1.901 0.03 . 2 . . . . . 33 PRO HB3 . 15652 1 408 . 1 1 33 33 PRO HD2 H 1 3.925 0.03 . 2 . . . . . 33 PRO HD2 . 15652 1 409 . 1 1 33 33 PRO HD3 H 1 3.454 0.03 . 2 . . . . . 33 PRO HD3 . 15652 1 410 . 1 1 33 33 PRO HG2 H 1 2.166 0.03 . 2 . . . . . 33 PRO HG2 . 15652 1 411 . 1 1 33 33 PRO HG3 H 1 1.555 0.03 . 2 . . . . . 33 PRO HG3 . 15652 1 412 . 1 1 33 33 PRO C C 13 177.517 0.3 . 1 . . . . . 33 PRO C . 15652 1 413 . 1 1 33 33 PRO CA C 13 64.332 0.3 . 1 . . . . . 33 PRO CA . 15652 1 414 . 1 1 33 33 PRO CB C 13 31.655 0.3 . 1 . . . . . 33 PRO CB . 15652 1 415 . 1 1 33 33 PRO CD C 13 50.235 0.3 . 1 . . . . . 33 PRO CD . 15652 1 416 . 1 1 33 33 PRO CG C 13 28.989 0.3 . 1 . . . . . 33 PRO CG . 15652 1 417 . 1 1 34 34 GLY H H 1 9.584 0.03 . 1 . . . . . 34 GLY H . 15652 1 418 . 1 1 34 34 GLY HA2 H 1 4.422 0.03 . 2 . . . . . 34 GLY HA2 . 15652 1 419 . 1 1 34 34 GLY HA3 H 1 3.725 0.03 . 2 . . . . . 34 GLY HA3 . 15652 1 420 . 1 1 34 34 GLY C C 13 174.605 0.3 . 1 . . . . . 34 GLY C . 15652 1 421 . 1 1 34 34 GLY CA C 13 44.745 0.3 . 1 . . . . . 34 GLY CA . 15652 1 422 . 1 1 34 34 GLY N N 15 115.669 0.3 . 1 . . . . . 34 GLY N . 15652 1 423 . 1 1 35 35 ASP H H 1 8.252 0.03 . 1 . . . . . 35 ASP H . 15652 1 424 . 1 1 35 35 ASP HA H 1 4.691 0.03 . 1 . . . . . 35 ASP HA . 15652 1 425 . 1 1 35 35 ASP HB2 H 1 3.080 0.03 . 2 . . . . . 35 ASP HB2 . 15652 1 426 . 1 1 35 35 ASP HB3 H 1 2.856 0.03 . 2 . . . . . 35 ASP HB3 . 15652 1 427 . 1 1 35 35 ASP C C 13 175.279 0.3 . 1 . . . . . 35 ASP C . 15652 1 428 . 1 1 35 35 ASP CA C 13 55.195 0.3 . 1 . . . . . 35 ASP CA . 15652 1 429 . 1 1 35 35 ASP CB C 13 42.301 0.3 . 1 . . . . . 35 ASP CB . 15652 1 430 . 1 1 35 35 ASP N N 15 122.076 0.3 . 1 . . . . . 35 ASP N . 15652 1 431 . 1 1 36 36 ILE H H 1 8.194 0.03 . 1 . . . . . 36 ILE H . 15652 1 432 . 1 1 36 36 ILE HA H 1 4.546 0.03 . 1 . . . . . 36 ILE HA . 15652 1 433 . 1 1 36 36 ILE HB H 1 1.886 0.03 . 1 . . . . . 36 ILE HB . 15652 1 434 . 1 1 36 36 ILE HD11 H 1 0.845 0.03 . 1 . . . . . 36 ILE HD1 . 15652 1 435 . 1 1 36 36 ILE HD12 H 1 0.845 0.03 . 1 . . . . . 36 ILE HD1 . 15652 1 436 . 1 1 36 36 ILE HD13 H 1 0.845 0.03 . 1 . . . . . 36 ILE HD1 . 15652 1 437 . 1 1 36 36 ILE HG12 H 1 1.631 0.03 . 2 . . . . . 36 ILE HG12 . 15652 1 438 . 1 1 36 36 ILE HG13 H 1 1.411 0.03 . 2 . . . . . 36 ILE HG13 . 15652 1 439 . 1 1 36 36 ILE HG21 H 1 1.062 0.03 . 1 . . . . . 36 ILE HG2 . 15652 1 440 . 1 1 36 36 ILE HG22 H 1 1.062 0.03 . 1 . . . . . 36 ILE HG2 . 15652 1 441 . 1 1 36 36 ILE HG23 H 1 1.062 0.03 . 1 . . . . . 36 ILE HG2 . 15652 1 442 . 1 1 36 36 ILE C C 13 176.709 0.3 . 1 . . . . . 36 ILE C . 15652 1 443 . 1 1 36 36 ILE CA C 13 59.572 0.3 . 1 . . . . . 36 ILE CA . 15652 1 444 . 1 1 36 36 ILE CB C 13 37.870 0.3 . 1 . . . . . 36 ILE CB . 15652 1 445 . 1 1 36 36 ILE CD1 C 13 11.832 0.3 . 1 . . . . . 36 ILE CD1 . 15652 1 446 . 1 1 36 36 ILE CG1 C 13 27.916 0.3 . 1 . . . . . 36 ILE CG1 . 15652 1 447 . 1 1 36 36 ILE CG2 C 13 17.467 0.3 . 1 . . . . . 36 ILE CG2 . 15652 1 448 . 1 1 36 36 ILE N N 15 120.260 0.3 . 1 . . . . . 36 ILE N . 15652 1 449 . 1 1 37 37 VAL H H 1 7.963 0.03 . 1 . . . . . 37 VAL H . 15652 1 450 . 1 1 37 37 VAL HA H 1 3.671 0.03 . 1 . . . . . 37 VAL HA . 15652 1 451 . 1 1 37 37 VAL HB H 1 2.013 0.03 . 1 . . . . . 37 VAL HB . 15652 1 452 . 1 1 37 37 VAL HG11 H 1 0.848 0.03 . 1 . . . . . 37 VAL HG1 . 15652 1 453 . 1 1 37 37 VAL HG12 H 1 0.848 0.03 . 1 . . . . . 37 VAL HG1 . 15652 1 454 . 1 1 37 37 VAL HG13 H 1 0.848 0.03 . 1 . . . . . 37 VAL HG1 . 15652 1 455 . 1 1 37 37 VAL HG21 H 1 0.617 0.03 . 1 . . . . . 37 VAL HG2 . 15652 1 456 . 1 1 37 37 VAL HG22 H 1 0.617 0.03 . 1 . . . . . 37 VAL HG2 . 15652 1 457 . 1 1 37 37 VAL HG23 H 1 0.617 0.03 . 1 . . . . . 37 VAL HG2 . 15652 1 458 . 1 1 37 37 VAL C C 13 176.530 0.3 . 1 . . . . . 37 VAL C . 15652 1 459 . 1 1 37 37 VAL CA C 13 62.969 0.3 . 1 . . . . . 37 VAL CA . 15652 1 460 . 1 1 37 37 VAL CB C 13 32.201 0.3 . 1 . . . . . 37 VAL CB . 15652 1 461 . 1 1 37 37 VAL CG1 C 13 21.538 0.3 . 1 . . . . . 37 VAL CG1 . 15652 1 462 . 1 1 37 37 VAL CG2 C 13 22.171 0.3 . 1 . . . . . 37 VAL CG2 . 15652 1 463 . 1 1 37 37 VAL N N 15 126.533 0.3 . 1 . . . . . 37 VAL N . 15652 1 464 . 1 1 38 38 SER H H 1 8.852 0.03 . 1 . . . . . 38 SER H . 15652 1 465 . 1 1 38 38 SER HA H 1 4.600 0.03 . 1 . . . . . 38 SER HA . 15652 1 466 . 1 1 38 38 SER HB2 H 1 4.532 0.03 . 2 . . . . . 38 SER HB2 . 15652 1 467 . 1 1 38 38 SER HB3 H 1 4.363 0.03 . 2 . . . . . 38 SER HB3 . 15652 1 468 . 1 1 38 38 SER C C 13 174.950 0.3 . 1 . . . . . 38 SER C . 15652 1 469 . 1 1 38 38 SER CA C 13 58.147 0.3 . 1 . . . . . 38 SER CA . 15652 1 470 . 1 1 38 38 SER CB C 13 65.224 0.3 . 1 . . . . . 38 SER CB . 15652 1 471 . 1 1 38 38 SER N N 15 122.752 0.3 . 1 . . . . . 38 SER N . 15652 1 472 . 1 1 39 39 THR H H 1 8.870 0.03 . 1 . . . . . 39 THR H . 15652 1 473 . 1 1 39 39 THR HA H 1 4.153 0.03 . 1 . . . . . 39 THR HA . 15652 1 474 . 1 1 39 39 THR HB H 1 4.271 0.03 . 1 . . . . . 39 THR HB . 15652 1 475 . 1 1 39 39 THR HG21 H 1 1.401 0.03 . 1 . . . . . 39 THR HG2 . 15652 1 476 . 1 1 39 39 THR HG22 H 1 1.401 0.03 . 1 . . . . . 39 THR HG2 . 15652 1 477 . 1 1 39 39 THR HG23 H 1 1.401 0.03 . 1 . . . . . 39 THR HG2 . 15652 1 478 . 1 1 39 39 THR C C 13 177.855 0.3 . 1 . . . . . 39 THR C . 15652 1 479 . 1 1 39 39 THR CA C 13 66.299 0.3 . 1 . . . . . 39 THR CA . 15652 1 480 . 1 1 39 39 THR CB C 13 68.559 0.3 . 1 . . . . . 39 THR CB . 15652 1 481 . 1 1 39 39 THR CG2 C 13 22.270 0.3 . 1 . . . . . 39 THR CG2 . 15652 1 482 . 1 1 39 39 THR N N 15 116.391 0.3 . 1 . . . . . 39 THR N . 15652 1 483 . 1 1 40 40 VAL H H 1 8.018 0.03 . 1 . . . . . 40 VAL H . 15652 1 484 . 1 1 40 40 VAL HA H 1 4.028 0.03 . 1 . . . . . 40 VAL HA . 15652 1 485 . 1 1 40 40 VAL HB H 1 2.057 0.03 . 1 . . . . . 40 VAL HB . 15652 1 486 . 1 1 40 40 VAL HG11 H 1 1.082 0.03 . 1 . . . . . 40 VAL HG1 . 15652 1 487 . 1 1 40 40 VAL HG12 H 1 1.082 0.03 . 1 . . . . . 40 VAL HG1 . 15652 1 488 . 1 1 40 40 VAL HG13 H 1 1.082 0.03 . 1 . . . . . 40 VAL HG1 . 15652 1 489 . 1 1 40 40 VAL HG21 H 1 1.149 0.03 . 1 . . . . . 40 VAL HG2 . 15652 1 490 . 1 1 40 40 VAL HG22 H 1 1.149 0.03 . 1 . . . . . 40 VAL HG2 . 15652 1 491 . 1 1 40 40 VAL HG23 H 1 1.149 0.03 . 1 . . . . . 40 VAL HG2 . 15652 1 492 . 1 1 40 40 VAL C C 13 178.339 0.3 . 1 . . . . . 40 VAL C . 15652 1 493 . 1 1 40 40 VAL CA C 13 65.776 0.3 . 1 . . . . . 40 VAL CA . 15652 1 494 . 1 1 40 40 VAL CB C 13 32.139 0.3 . 1 . . . . . 40 VAL CB . 15652 1 495 . 1 1 40 40 VAL CG1 C 13 20.919 0.3 . 1 . . . . . 40 VAL CG1 . 15652 1 496 . 1 1 40 40 VAL CG2 C 13 22.224 0.3 . 1 . . . . . 40 VAL CG2 . 15652 1 497 . 1 1 40 40 VAL N N 15 121.035 0.3 . 1 . . . . . 40 VAL N . 15652 1 498 . 1 1 41 41 ASP H H 1 7.610 0.03 . 1 . . . . . 41 ASP H . 15652 1 499 . 1 1 41 41 ASP HA H 1 4.570 0.03 . 1 . . . . . 41 ASP HA . 15652 1 500 . 1 1 41 41 ASP HB2 H 1 3.115 0.03 . 2 . . . . . 41 ASP HB2 . 15652 1 501 . 1 1 41 41 ASP HB3 H 1 2.865 0.03 . 2 . . . . . 41 ASP HB3 . 15652 1 502 . 1 1 41 41 ASP C C 13 178.746 0.3 . 1 . . . . . 41 ASP C . 15652 1 503 . 1 1 41 41 ASP CA C 13 57.492 0.3 . 1 . . . . . 41 ASP CA . 15652 1 504 . 1 1 41 41 ASP CB C 13 39.740 0.3 . 1 . . . . . 41 ASP CB . 15652 1 505 . 1 1 41 41 ASP N N 15 124.108 0.3 . 1 . . . . . 41 ASP N . 15652 1 506 . 1 1 42 42 GLY H H 1 9.363 0.03 . 1 . . . . . 42 GLY H . 15652 1 507 . 1 1 42 42 GLY HA2 H 1 4.186 0.03 . 2 . . . . . 42 GLY HA2 . 15652 1 508 . 1 1 42 42 GLY HA3 H 1 3.584 0.03 . 2 . . . . . 42 GLY HA3 . 15652 1 509 . 1 1 42 42 GLY C C 13 175.329 0.3 . 1 . . . . . 42 GLY C . 15652 1 510 . 1 1 42 42 GLY CA C 13 46.944 0.3 . 1 . . . . . 42 GLY CA . 15652 1 511 . 1 1 42 42 GLY N N 15 109.572 0.3 . 1 . . . . . 42 GLY N . 15652 1 512 . 1 1 43 43 ALA H H 1 7.949 0.03 . 1 . . . . . 43 ALA H . 15652 1 513 . 1 1 43 43 ALA HA H 1 4.240 0.03 . 1 . . . . . 43 ALA HA . 15652 1 514 . 1 1 43 43 ALA HB1 H 1 1.617 0.03 . 1 . . . . . 43 ALA HB . 15652 1 515 . 1 1 43 43 ALA HB2 H 1 1.617 0.03 . 1 . . . . . 43 ALA HB . 15652 1 516 . 1 1 43 43 ALA HB3 H 1 1.617 0.03 . 1 . . . . . 43 ALA HB . 15652 1 517 . 1 1 43 43 ALA C C 13 180.375 0.3 . 1 . . . . . 43 ALA C . 15652 1 518 . 1 1 43 43 ALA CA C 13 54.897 0.3 . 1 . . . . . 43 ALA CA . 15652 1 519 . 1 1 43 43 ALA CB C 13 17.895 0.3 . 1 . . . . . 43 ALA CB . 15652 1 520 . 1 1 43 43 ALA N N 15 123.561 0.3 . 1 . . . . . 43 ALA N . 15652 1 521 . 1 1 44 44 PHE H H 1 7.337 0.03 . 1 . . . . . 44 PHE H . 15652 1 522 . 1 1 44 44 PHE HA H 1 3.957 0.03 . 1 . . . . . 44 PHE HA . 15652 1 523 . 1 1 44 44 PHE HB2 H 1 3.534 0.03 . 2 . . . . . 44 PHE HB2 . 15652 1 524 . 1 1 44 44 PHE HB3 H 1 3.366 0.03 . 2 . . . . . 44 PHE HB3 . 15652 1 525 . 1 1 44 44 PHE HD1 H 1 6.990 0.03 . 3 . . . . . 44 PHE HD1 . 15652 1 526 . 1 1 44 44 PHE HD2 H 1 6.989 0.03 . 3 . . . . . 44 PHE HD2 . 15652 1 527 . 1 1 44 44 PHE HE1 H 1 7.138 0.03 . 3 . . . . . 44 PHE HE1 . 15652 1 528 . 1 1 44 44 PHE HE2 H 1 7.138 0.03 . 3 . . . . . 44 PHE HE2 . 15652 1 529 . 1 1 44 44 PHE HZ H 1 6.950 0.03 . 1 . . . . . 44 PHE HZ . 15652 1 530 . 1 1 44 44 PHE C C 13 177.252 0.3 . 1 . . . . . 44 PHE C . 15652 1 531 . 1 1 44 44 PHE CA C 13 61.508 0.3 . 1 . . . . . 44 PHE CA . 15652 1 532 . 1 1 44 44 PHE CB C 13 38.993 0.3 . 1 . . . . . 44 PHE CB . 15652 1 533 . 1 1 44 44 PHE CD1 C 13 132.278 0.3 . 3 . . . . . 44 PHE CD1 . 15652 1 534 . 1 1 44 44 PHE CD2 C 13 132.278 0.3 . 3 . . . . . 44 PHE CD2 . 15652 1 535 . 1 1 44 44 PHE CE1 C 13 130.837 0.3 . 3 . . . . . 44 PHE CE1 . 15652 1 536 . 1 1 44 44 PHE CE2 C 13 130.837 0.3 . 3 . . . . . 44 PHE CE2 . 15652 1 537 . 1 1 44 44 PHE CZ C 13 129.162 0.3 . 1 . . . . . 44 PHE CZ . 15652 1 538 . 1 1 44 44 PHE N N 15 118.542 0.3 . 1 . . . . . 44 PHE N . 15652 1 539 . 1 1 45 45 LEU H H 1 8.301 0.03 . 1 . . . . . 45 LEU H . 15652 1 540 . 1 1 45 45 LEU HA H 1 3.741 0.03 . 1 . . . . . 45 LEU HA . 15652 1 541 . 1 1 45 45 LEU HB2 H 1 0.104 0.03 . 2 . . . . . 45 LEU HB2 . 15652 1 542 . 1 1 45 45 LEU HB3 H 1 1.023 0.03 . 2 . . . . . 45 LEU HB3 . 15652 1 543 . 1 1 45 45 LEU HD11 H 1 -0.437 0.03 . 1 . . . . . 45 LEU HD1 . 15652 1 544 . 1 1 45 45 LEU HD12 H 1 -0.437 0.03 . 1 . . . . . 45 LEU HD1 . 15652 1 545 . 1 1 45 45 LEU HD13 H 1 -0.437 0.03 . 1 . . . . . 45 LEU HD1 . 15652 1 546 . 1 1 45 45 LEU HD21 H 1 0.151 0.03 . 1 . . . . . 45 LEU HD2 . 15652 1 547 . 1 1 45 45 LEU HD22 H 1 0.151 0.03 . 1 . . . . . 45 LEU HD2 . 15652 1 548 . 1 1 45 45 LEU HD23 H 1 0.151 0.03 . 1 . . . . . 45 LEU HD2 . 15652 1 549 . 1 1 45 45 LEU HG H 1 1.374 0.03 . 1 . . . . . 45 LEU HG . 15652 1 550 . 1 1 45 45 LEU C C 13 178.847 0.3 . 1 . . . . . 45 LEU C . 15652 1 551 . 1 1 45 45 LEU CA C 13 57.643 0.3 . 1 . . . . . 45 LEU CA . 15652 1 552 . 1 1 45 45 LEU CB C 13 41.274 0.3 . 1 . . . . . 45 LEU CB . 15652 1 553 . 1 1 45 45 LEU CD1 C 13 25.165 0.3 . 1 . . . . . 45 LEU CD1 . 15652 1 554 . 1 1 45 45 LEU CD2 C 13 21.047 0.3 . 1 . . . . . 45 LEU CD2 . 15652 1 555 . 1 1 45 45 LEU CG C 13 25.336 0.3 . 1 . . . . . 45 LEU CG . 15652 1 556 . 1 1 45 45 LEU N N 15 119.345 0.3 . 1 . . . . . 45 LEU N . 15652 1 557 . 1 1 46 46 VAL H H 1 8.562 0.03 . 1 . . . . . 46 VAL H . 15652 1 558 . 1 1 46 46 VAL HA H 1 3.759 0.03 . 1 . . . . . 46 VAL HA . 15652 1 559 . 1 1 46 46 VAL HB H 1 2.247 0.03 . 1 . . . . . 46 VAL HB . 15652 1 560 . 1 1 46 46 VAL HG11 H 1 1.045 0.03 . 1 . . . . . 46 VAL HG1 . 15652 1 561 . 1 1 46 46 VAL HG12 H 1 1.045 0.03 . 1 . . . . . 46 VAL HG1 . 15652 1 562 . 1 1 46 46 VAL HG13 H 1 1.045 0.03 . 1 . . . . . 46 VAL HG1 . 15652 1 563 . 1 1 46 46 VAL HG21 H 1 1.203 0.03 . 1 . . . . . 46 VAL HG2 . 15652 1 564 . 1 1 46 46 VAL HG22 H 1 1.203 0.03 . 1 . . . . . 46 VAL HG2 . 15652 1 565 . 1 1 46 46 VAL HG23 H 1 1.203 0.03 . 1 . . . . . 46 VAL HG2 . 15652 1 566 . 1 1 46 46 VAL C C 13 177.077 0.3 . 1 . . . . . 46 VAL C . 15652 1 567 . 1 1 46 46 VAL CA C 13 67.081 0.3 . 1 . . . . . 46 VAL CA . 15652 1 568 . 1 1 46 46 VAL CB C 13 31.639 0.3 . 1 . . . . . 46 VAL CB . 15652 1 569 . 1 1 46 46 VAL CG1 C 13 21.250 0.3 . 1 . . . . . 46 VAL CG1 . 15652 1 570 . 1 1 46 46 VAL CG2 C 13 23.584 0.3 . 1 . . . . . 46 VAL CG2 . 15652 1 571 . 1 1 46 46 VAL N N 15 118.458 0.3 . 1 . . . . . 46 VAL N . 15652 1 572 . 1 1 47 47 GLU H H 1 6.896 0.03 . 1 . . . . . 47 GLU H . 15652 1 573 . 1 1 47 47 GLU HA H 1 4.019 0.03 . 1 . . . . . 47 GLU HA . 15652 1 574 . 1 1 47 47 GLU HB2 H 1 2.017 0.03 . 2 . . . . . 47 GLU HB2 . 15652 1 575 . 1 1 47 47 GLU HB3 H 1 1.964 0.03 . 2 . . . . . 47 GLU HB3 . 15652 1 576 . 1 1 47 47 GLU HG2 H 1 2.445 0.03 . 2 . . . . . 47 GLU HG2 . 15652 1 577 . 1 1 47 47 GLU HG3 H 1 2.308 0.03 . 2 . . . . . 47 GLU HG3 . 15652 1 578 . 1 1 47 47 GLU C C 13 179.738 0.3 . 1 . . . . . 47 GLU C . 15652 1 579 . 1 1 47 47 GLU CA C 13 58.582 0.3 . 1 . . . . . 47 GLU CA . 15652 1 580 . 1 1 47 47 GLU CB C 13 29.029 0.3 . 1 . . . . . 47 GLU CB . 15652 1 581 . 1 1 47 47 GLU CG C 13 36.328 0.3 . 1 . . . . . 47 GLU CG . 15652 1 582 . 1 1 47 47 GLU N N 15 117.916 0.3 . 1 . . . . . 47 GLU N . 15652 1 583 . 1 1 48 48 ALA H H 1 8.310 0.03 . 1 . . . . . 48 ALA H . 15652 1 584 . 1 1 48 48 ALA HA H 1 3.761 0.03 . 1 . . . . . 48 ALA HA . 15652 1 585 . 1 1 48 48 ALA HB1 H 1 1.421 0.03 . 1 . . . . . 48 ALA HB . 15652 1 586 . 1 1 48 48 ALA HB2 H 1 1.421 0.03 . 1 . . . . . 48 ALA HB . 15652 1 587 . 1 1 48 48 ALA HB3 H 1 1.421 0.03 . 1 . . . . . 48 ALA HB . 15652 1 588 . 1 1 48 48 ALA C C 13 179.636 0.3 . 1 . . . . . 48 ALA C . 15652 1 589 . 1 1 48 48 ALA CA C 13 55.769 0.3 . 1 . . . . . 48 ALA CA . 15652 1 590 . 1 1 48 48 ALA CB C 13 17.370 0.3 . 1 . . . . . 48 ALA CB . 15652 1 591 . 1 1 48 48 ALA N N 15 123.600 0.3 . 1 . . . . . 48 ALA N . 15652 1 592 . 1 1 49 49 LEU H H 1 8.724 0.03 . 1 . . . . . 49 LEU H . 15652 1 593 . 1 1 49 49 LEU HA H 1 3.924 0.03 . 1 . . . . . 49 LEU HA . 15652 1 594 . 1 1 49 49 LEU HB2 H 1 1.319 0.03 . 2 . . . . . 49 LEU HB2 . 15652 1 595 . 1 1 49 49 LEU HB3 H 1 1.791 0.03 . 2 . . . . . 49 LEU HB3 . 15652 1 596 . 1 1 49 49 LEU HD11 H 1 0.213 0.03 . 1 . . . . . 49 LEU HD1 . 15652 1 597 . 1 1 49 49 LEU HD12 H 1 0.213 0.03 . 1 . . . . . 49 LEU HD1 . 15652 1 598 . 1 1 49 49 LEU HD13 H 1 0.213 0.03 . 1 . . . . . 49 LEU HD1 . 15652 1 599 . 1 1 49 49 LEU HD21 H 1 0.388 0.03 . 1 . . . . . 49 LEU HD2 . 15652 1 600 . 1 1 49 49 LEU HD22 H 1 0.388 0.03 . 1 . . . . . 49 LEU HD2 . 15652 1 601 . 1 1 49 49 LEU HD23 H 1 0.388 0.03 . 1 . . . . . 49 LEU HD2 . 15652 1 602 . 1 1 49 49 LEU HG H 1 1.333 0.03 . 1 . . . . . 49 LEU HG . 15652 1 603 . 1 1 49 49 LEU C C 13 178.188 0.3 . 1 . . . . . 49 LEU C . 15652 1 604 . 1 1 49 49 LEU CA C 13 57.387 0.3 . 1 . . . . . 49 LEU CA . 15652 1 605 . 1 1 49 49 LEU CB C 13 41.780 0.3 . 1 . . . . . 49 LEU CB . 15652 1 606 . 1 1 49 49 LEU CD1 C 13 22.883 0.3 . 1 . . . . . 49 LEU CD1 . 15652 1 607 . 1 1 49 49 LEU CD2 C 13 26.450 0.3 . 1 . . . . . 49 LEU CD2 . 15652 1 608 . 1 1 49 49 LEU CG C 13 26.531 0.3 . 1 . . . . . 49 LEU CG . 15652 1 609 . 1 1 49 49 LEU N N 15 119.812 0.3 . 1 . . . . . 49 LEU N . 15652 1 610 . 1 1 50 50 LYS H H 1 7.421 0.03 . 1 . . . . . 50 LYS H . 15652 1 611 . 1 1 50 50 LYS HA H 1 3.856 0.03 . 1 . . . . . 50 LYS HA . 15652 1 612 . 1 1 50 50 LYS HB2 H 1 1.888 0.03 . 2 . . . . . 50 LYS HB2 . 15652 1 613 . 1 1 50 50 LYS HB3 H 1 1.888 0.03 . 2 . . . . . 50 LYS HB3 . 15652 1 614 . 1 1 50 50 LYS HD2 H 1 1.652 0.03 . 2 . . . . . 50 LYS HD2 . 15652 1 615 . 1 1 50 50 LYS HD3 H 1 1.652 0.03 . 2 . . . . . 50 LYS HD3 . 15652 1 616 . 1 1 50 50 LYS HE2 H 1 2.906 0.03 . 2 . . . . . 50 LYS HE2 . 15652 1 617 . 1 1 50 50 LYS HE3 H 1 2.747 0.03 . 2 . . . . . 50 LYS HE3 . 15652 1 618 . 1 1 50 50 LYS HG2 H 1 1.825 0.03 . 2 . . . . . 50 LYS HG2 . 15652 1 619 . 1 1 50 50 LYS HG3 H 1 1.307 0.03 . 2 . . . . . 50 LYS HG3 . 15652 1 620 . 1 1 50 50 LYS C C 13 177.592 0.3 . 1 . . . . . 50 LYS C . 15652 1 621 . 1 1 50 50 LYS CA C 13 59.345 0.3 . 1 . . . . . 50 LYS CA . 15652 1 622 . 1 1 50 50 LYS CB C 13 32.757 0.3 . 1 . . . . . 50 LYS CB . 15652 1 623 . 1 1 50 50 LYS CD C 13 30.028 0.3 . 1 . . . . . 50 LYS CD . 15652 1 624 . 1 1 50 50 LYS CE C 13 42.192 0.3 . 1 . . . . . 50 LYS CE . 15652 1 625 . 1 1 50 50 LYS CG C 13 26.503 0.3 . 1 . . . . . 50 LYS CG . 15652 1 626 . 1 1 50 50 LYS N N 15 115.568 0.3 . 1 . . . . . 50 LYS N . 15652 1 627 . 1 1 51 51 ARG H H 1 7.787 0.03 . 1 . . . . . 51 ARG H . 15652 1 628 . 1 1 51 51 ARG HA H 1 4.356 0.03 . 1 . . . . . 51 ARG HA . 15652 1 629 . 1 1 51 51 ARG HB2 H 1 2.346 0.03 . 2 . . . . . 51 ARG HB2 . 15652 1 630 . 1 1 51 51 ARG HB3 H 1 1.950 0.03 . 2 . . . . . 51 ARG HB3 . 15652 1 631 . 1 1 51 51 ARG HD2 H 1 3.161 0.03 . 2 . . . . . 51 ARG HD2 . 15652 1 632 . 1 1 51 51 ARG HD3 H 1 3.161 0.03 . 2 . . . . . 51 ARG HD3 . 15652 1 633 . 1 1 51 51 ARG HG2 H 1 1.702 0.03 . 2 . . . . . 51 ARG HG2 . 15652 1 634 . 1 1 51 51 ARG HG3 H 1 1.702 0.03 . 2 . . . . . 51 ARG HG3 . 15652 1 635 . 1 1 51 51 ARG C C 13 176.424 0.3 . 1 . . . . . 51 ARG C . 15652 1 636 . 1 1 51 51 ARG CA C 13 55.690 0.3 . 1 . . . . . 51 ARG CA . 15652 1 637 . 1 1 51 51 ARG CB C 13 30.227 0.3 . 1 . . . . . 51 ARG CB . 15652 1 638 . 1 1 51 51 ARG CD C 13 43.455 0.3 . 1 . . . . . 51 ARG CD . 15652 1 639 . 1 1 51 51 ARG CG C 13 27.937 0.3 . 1 . . . . . 51 ARG CG . 15652 1 640 . 1 1 51 51 ARG N N 15 115.686 0.3 . 1 . . . . . 51 ARG N . 15652 1 641 . 1 1 52 52 HIS H H 1 8.159 0.03 . 1 . . . . . 52 HIS H . 15652 1 642 . 1 1 52 52 HIS HA H 1 4.512 0.03 . 1 . . . . . 52 HIS HA . 15652 1 643 . 1 1 52 52 HIS HB2 H 1 3.259 0.03 . 2 . . . . . 52 HIS HB2 . 15652 1 644 . 1 1 52 52 HIS HB3 H 1 3.099 0.03 . 2 . . . . . 52 HIS HB3 . 15652 1 645 . 1 1 52 52 HIS HE1 H 1 8.045 0.03 . 1 . . . . . 52 HIS HE1 . 15652 1 646 . 1 1 52 52 HIS C C 13 175.409 0.3 . 1 . . . . . 52 HIS C . 15652 1 647 . 1 1 52 52 HIS CA C 13 56.087 0.3 . 1 . . . . . 52 HIS CA . 15652 1 648 . 1 1 52 52 HIS CB C 13 32.904 0.3 . 1 . . . . . 52 HIS CB . 15652 1 649 . 1 1 52 52 HIS CE1 C 13 139.255 0.3 . 1 . . . . . 52 HIS CE1 . 15652 1 650 . 1 1 52 52 HIS N N 15 125.025 0.3 . 1 . . . . . 52 HIS N . 15652 1 651 . 1 1 53 53 PRO HA H 1 4.341 0.03 . 1 . . . . . 53 PRO HA . 15652 1 652 . 1 1 53 53 PRO HB2 H 1 2.280 0.03 . 2 . . . . . 53 PRO HB2 . 15652 1 653 . 1 1 53 53 PRO HB3 H 1 1.918 0.03 . 2 . . . . . 53 PRO HB3 . 15652 1 654 . 1 1 53 53 PRO HD2 H 1 3.659 0.03 . 2 . . . . . 53 PRO HD2 . 15652 1 655 . 1 1 53 53 PRO HD3 H 1 2.565 0.03 . 2 . . . . . 53 PRO HD3 . 15652 1 656 . 1 1 53 53 PRO HG2 H 1 1.871 0.03 . 2 . . . . . 53 PRO HG2 . 15652 1 657 . 1 1 53 53 PRO HG3 H 1 1.839 0.03 . 2 . . . . . 53 PRO HG3 . 15652 1 658 . 1 1 53 53 PRO CA C 13 65.210 0.3 . 1 . . . . . 53 PRO CA . 15652 1 659 . 1 1 53 53 PRO CB C 13 31.791 0.3 . 1 . . . . . 53 PRO CB . 15652 1 660 . 1 1 53 53 PRO CD C 13 50.868 0.3 . 1 . . . . . 53 PRO CD . 15652 1 661 . 1 1 53 53 PRO CG C 13 27.453 0.3 . 1 . . . . . 53 PRO CG . 15652 1 662 . 1 1 54 54 ASP H H 1 8.058 0.03 . 1 . . . . . 54 ASP H . 15652 1 663 . 1 1 54 54 ASP HA H 1 5.184 0.03 . 1 . . . . . 54 ASP HA . 15652 1 664 . 1 1 54 54 ASP HB2 H 1 2.995 0.03 . 2 . . . . . 54 ASP HB2 . 15652 1 665 . 1 1 54 54 ASP HB3 H 1 2.488 0.03 . 2 . . . . . 54 ASP HB3 . 15652 1 666 . 1 1 54 54 ASP C C 13 176.079 0.3 . 1 . . . . . 54 ASP C . 15652 1 667 . 1 1 54 54 ASP CA C 13 52.778 0.3 . 1 . . . . . 54 ASP CA . 15652 1 668 . 1 1 54 54 ASP CB C 13 41.573 0.3 . 1 . . . . . 54 ASP CB . 15652 1 669 . 1 1 55 55 ALA H H 1 7.731 0.03 . 1 . . . . . 55 ALA H . 15652 1 670 . 1 1 55 55 ALA HA H 1 3.589 0.03 . 1 . . . . . 55 ALA HA . 15652 1 671 . 1 1 55 55 ALA HB1 H 1 1.660 0.03 . 1 . . . . . 55 ALA HB . 15652 1 672 . 1 1 55 55 ALA HB2 H 1 1.660 0.03 . 1 . . . . . 55 ALA HB . 15652 1 673 . 1 1 55 55 ALA HB3 H 1 1.660 0.03 . 1 . . . . . 55 ALA HB . 15652 1 674 . 1 1 55 55 ALA C C 13 178.550 0.3 . 1 . . . . . 55 ALA C . 15652 1 675 . 1 1 55 55 ALA CA C 13 57.024 0.3 . 1 . . . . . 55 ALA CA . 15652 1 676 . 1 1 55 55 ALA CB C 13 20.320 0.3 . 1 . . . . . 55 ALA CB . 15652 1 677 . 1 1 55 55 ALA N N 15 122.261 0.3 . 1 . . . . . 55 ALA N . 15652 1 678 . 1 1 56 56 THR H H 1 8.405 0.03 . 1 . . . . . 56 THR H . 15652 1 679 . 1 1 56 56 THR HA H 1 3.804 0.03 . 1 . . . . . 56 THR HA . 15652 1 680 . 1 1 56 56 THR HB H 1 4.104 0.03 . 1 . . . . . 56 THR HB . 15652 1 681 . 1 1 56 56 THR HG21 H 1 1.212 0.03 . 1 . . . . . 56 THR HG2 . 15652 1 682 . 1 1 56 56 THR HG22 H 1 1.212 0.03 . 1 . . . . . 56 THR HG2 . 15652 1 683 . 1 1 56 56 THR HG23 H 1 1.212 0.03 . 1 . . . . . 56 THR HG2 . 15652 1 684 . 1 1 56 56 THR C C 13 177.743 0.3 . 1 . . . . . 56 THR C . 15652 1 685 . 1 1 56 56 THR CA C 13 67.024 0.3 . 1 . . . . . 56 THR CA . 15652 1 686 . 1 1 56 56 THR CB C 13 68.257 0.3 . 1 . . . . . 56 THR CB . 15652 1 687 . 1 1 56 56 THR CG2 C 13 22.010 0.3 . 1 . . . . . 56 THR CG2 . 15652 1 688 . 1 1 56 56 THR N N 15 110.600 0.3 . 1 . . . . . 56 THR N . 15652 1 689 . 1 1 57 57 SER H H 1 7.907 0.03 . 1 . . . . . 57 SER H . 15652 1 690 . 1 1 57 57 SER HA H 1 4.251 0.03 . 1 . . . . . 57 SER HA . 15652 1 691 . 1 1 57 57 SER HB2 H 1 3.864 0.03 . 2 . . . . . 57 SER HB2 . 15652 1 692 . 1 1 57 57 SER HB3 H 1 3.864 0.03 . 2 . . . . . 57 SER HB3 . 15652 1 693 . 1 1 57 57 SER C C 13 176.547 0.3 . 1 . . . . . 57 SER C . 15652 1 694 . 1 1 57 57 SER CA C 13 60.395 0.3 . 1 . . . . . 57 SER CA . 15652 1 695 . 1 1 57 57 SER CB C 13 62.766 0.3 . 1 . . . . . 57 SER CB . 15652 1 696 . 1 1 57 57 SER N N 15 117.623 0.3 . 1 . . . . . 57 SER N . 15652 1 697 . 1 1 58 58 LYS H H 1 8.180 0.03 . 1 . . . . . 58 LYS H . 15652 1 698 . 1 1 58 58 LYS HA H 1 3.687 0.03 . 1 . . . . . 58 LYS HA . 15652 1 699 . 1 1 58 58 LYS HB2 H 1 1.630 0.03 . 2 . . . . . 58 LYS HB2 . 15652 1 700 . 1 1 58 58 LYS HB3 H 1 1.266 0.03 . 2 . . . . . 58 LYS HB3 . 15652 1 701 . 1 1 58 58 LYS HD2 H 1 1.362 0.03 . 2 . . . . . 58 LYS HD2 . 15652 1 702 . 1 1 58 58 LYS HD3 H 1 1.013 0.03 . 2 . . . . . 58 LYS HD3 . 15652 1 703 . 1 1 58 58 LYS HE2 H 1 2.804 0.03 . 2 . . . . . 58 LYS HE2 . 15652 1 704 . 1 1 58 58 LYS HE3 H 1 2.750 0.03 . 2 . . . . . 58 LYS HE3 . 15652 1 705 . 1 1 58 58 LYS HG2 H 1 1.192 0.03 . 2 . . . . . 58 LYS HG2 . 15652 1 706 . 1 1 58 58 LYS HG3 H 1 0.532 0.03 . 2 . . . . . 58 LYS HG3 . 15652 1 707 . 1 1 58 58 LYS C C 13 178.074 0.3 . 1 . . . . . 58 LYS C . 15652 1 708 . 1 1 58 58 LYS CA C 13 58.090 0.3 . 1 . . . . . 58 LYS CA . 15652 1 709 . 1 1 58 58 LYS CB C 13 32.328 0.3 . 1 . . . . . 58 LYS CB . 15652 1 710 . 1 1 58 58 LYS CD C 13 27.953 0.3 . 1 . . . . . 58 LYS CD . 15652 1 711 . 1 1 58 58 LYS CE C 13 42.360 0.3 . 1 . . . . . 58 LYS CE . 15652 1 712 . 1 1 58 58 LYS CG C 13 24.107 0.3 . 1 . . . . . 58 LYS CG . 15652 1 713 . 1 1 58 58 LYS N N 15 120.772 0.3 . 1 . . . . . 58 LYS N . 15652 1 714 . 1 1 59 59 ILE H H 1 8.407 0.03 . 1 . . . . . 59 ILE H . 15652 1 715 . 1 1 59 59 ILE HA H 1 3.336 0.03 . 1 . . . . . 59 ILE HA . 15652 1 716 . 1 1 59 59 ILE HB H 1 1.678 0.03 . 1 . . . . . 59 ILE HB . 15652 1 717 . 1 1 59 59 ILE HD11 H 1 0.714 0.03 . 1 . . . . . 59 ILE HD1 . 15652 1 718 . 1 1 59 59 ILE HD12 H 1 0.714 0.03 . 1 . . . . . 59 ILE HD1 . 15652 1 719 . 1 1 59 59 ILE HD13 H 1 0.714 0.03 . 1 . . . . . 59 ILE HD1 . 15652 1 720 . 1 1 59 59 ILE HG12 H 1 1.541 0.03 . 2 . . . . . 59 ILE HG12 . 15652 1 721 . 1 1 59 59 ILE HG13 H 1 0.688 0.03 . 2 . . . . . 59 ILE HG13 . 15652 1 722 . 1 1 59 59 ILE HG21 H 1 0.734 0.03 . 1 . . . . . 59 ILE HG2 . 15652 1 723 . 1 1 59 59 ILE HG22 H 1 0.734 0.03 . 1 . . . . . 59 ILE HG2 . 15652 1 724 . 1 1 59 59 ILE HG23 H 1 0.734 0.03 . 1 . . . . . 59 ILE HG2 . 15652 1 725 . 1 1 59 59 ILE C C 13 176.705 0.3 . 1 . . . . . 59 ILE C . 15652 1 726 . 1 1 59 59 ILE CA C 13 64.224 0.3 . 1 . . . . . 59 ILE CA . 15652 1 727 . 1 1 59 59 ILE CB C 13 38.989 0.3 . 1 . . . . . 59 ILE CB . 15652 1 728 . 1 1 59 59 ILE CD1 C 13 13.387 0.3 . 1 . . . . . 59 ILE CD1 . 15652 1 729 . 1 1 59 59 ILE CG1 C 13 30.802 0.3 . 1 . . . . . 59 ILE CG1 . 15652 1 730 . 1 1 59 59 ILE CG2 C 13 16.637 0.3 . 1 . . . . . 59 ILE CG2 . 15652 1 731 . 1 1 59 59 ILE N N 15 119.024 0.3 . 1 . . . . . 59 ILE N . 15652 1 732 . 1 1 60 60 GLY H H 1 7.360 0.03 . 1 . . . . . 60 GLY H . 15652 1 733 . 1 1 60 60 GLY HA2 H 1 3.884 0.03 . 2 . . . . . 60 GLY HA2 . 15652 1 734 . 1 1 60 60 GLY HA3 H 1 3.614 0.03 . 2 . . . . . 60 GLY HA3 . 15652 1 735 . 1 1 60 60 GLY C C 13 173.964 0.3 . 1 . . . . . 60 GLY C . 15652 1 736 . 1 1 60 60 GLY CA C 13 44.586 0.3 . 1 . . . . . 60 GLY CA . 15652 1 737 . 1 1 60 60 GLY N N 15 106.081 0.3 . 1 . . . . . 60 GLY N . 15652 1 738 . 1 1 61 61 PRO HA H 1 4.486 0.03 . 1 . . . . . 61 PRO HA . 15652 1 739 . 1 1 61 61 PRO HB2 H 1 2.216 0.03 . 2 . . . . . 61 PRO HB2 . 15652 1 740 . 1 1 61 61 PRO HB3 H 1 1.977 0.03 . 2 . . . . . 61 PRO HB3 . 15652 1 741 . 1 1 61 61 PRO HD2 H 1 3.774 0.03 . 2 . . . . . 61 PRO HD2 . 15652 1 742 . 1 1 61 61 PRO HD3 H 1 3.688 0.03 . 2 . . . . . 61 PRO HD3 . 15652 1 743 . 1 1 61 61 PRO HG2 H 1 1.949 0.03 . 2 . . . . . 61 PRO HG2 . 15652 1 744 . 1 1 61 61 PRO HG3 H 1 1.918 0.03 . 2 . . . . . 61 PRO HG3 . 15652 1 745 . 1 1 61 61 PRO C C 13 175.603 0.3 . 1 . . . . . 61 PRO C . 15652 1 746 . 1 1 61 61 PRO CA C 13 63.473 0.3 . 1 . . . . . 61 PRO CA . 15652 1 747 . 1 1 61 61 PRO CB C 13 31.981 0.3 . 1 . . . . . 61 PRO CB . 15652 1 748 . 1 1 61 61 PRO CD C 13 50.656 0.3 . 1 . . . . . 61 PRO CD . 15652 1 749 . 1 1 61 61 PRO CG C 13 26.106 0.3 . 1 . . . . . 61 PRO CG . 15652 1 750 . 1 1 62 62 GLY H H 1 7.835 0.03 . 1 . . . . . 62 GLY H . 15652 1 751 . 1 1 62 62 GLY HA2 H 1 4.378 0.03 . 2 . . . . . 62 GLY HA2 . 15652 1 752 . 1 1 62 62 GLY HA3 H 1 3.416 0.03 . 2 . . . . . 62 GLY HA3 . 15652 1 753 . 1 1 62 62 GLY C C 13 172.596 0.3 . 1 . . . . . 62 GLY C . 15652 1 754 . 1 1 62 62 GLY CA C 13 44.498 0.3 . 1 . . . . . 62 GLY CA . 15652 1 755 . 1 1 62 62 GLY N N 15 110.214 0.3 . 1 . . . . . 62 GLY N . 15652 1 756 . 1 1 63 63 VAL H H 1 8.646 0.03 . 1 . . . . . 63 VAL H . 15652 1 757 . 1 1 63 63 VAL HA H 1 3.668 0.03 . 1 . . . . . 63 VAL HA . 15652 1 758 . 1 1 63 63 VAL HB H 1 1.777 0.03 . 1 . . . . . 63 VAL HB . 15652 1 759 . 1 1 63 63 VAL HG11 H 1 0.119 0.03 . 1 . . . . . 63 VAL HG1 . 15652 1 760 . 1 1 63 63 VAL HG12 H 1 0.119 0.03 . 1 . . . . . 63 VAL HG1 . 15652 1 761 . 1 1 63 63 VAL HG13 H 1 0.119 0.03 . 1 . . . . . 63 VAL HG1 . 15652 1 762 . 1 1 63 63 VAL HG21 H 1 0.692 0.03 . 1 . . . . . 63 VAL HG2 . 15652 1 763 . 1 1 63 63 VAL HG22 H 1 0.692 0.03 . 1 . . . . . 63 VAL HG2 . 15652 1 764 . 1 1 63 63 VAL HG23 H 1 0.692 0.03 . 1 . . . . . 63 VAL HG2 . 15652 1 765 . 1 1 63 63 VAL C C 13 175.808 0.3 . 1 . . . . . 63 VAL C . 15652 1 766 . 1 1 63 63 VAL CA C 13 63.681 0.3 . 1 . . . . . 63 VAL CA . 15652 1 767 . 1 1 63 63 VAL CB C 13 32.863 0.3 . 1 . . . . . 63 VAL CB . 15652 1 768 . 1 1 63 63 VAL CG1 C 13 20.900 0.3 . 1 . . . . . 63 VAL CG1 . 15652 1 769 . 1 1 63 63 VAL CG2 C 13 22.073 0.3 . 1 . . . . . 63 VAL CG2 . 15652 1 770 . 1 1 63 63 VAL N N 15 122.735 0.3 . 1 . . . . . 63 VAL N . 15652 1 771 . 1 1 64 64 ARG H H 1 9.524 0.03 . 1 . . . . . 64 ARG H . 15652 1 772 . 1 1 64 64 ARG HA H 1 4.254 0.03 . 1 . . . . . 64 ARG HA . 15652 1 773 . 1 1 64 64 ARG HB2 H 1 1.560 0.03 . 2 . . . . . 64 ARG HB2 . 15652 1 774 . 1 1 64 64 ARG HB3 H 1 1.240 0.03 . 2 . . . . . 64 ARG HB3 . 15652 1 775 . 1 1 64 64 ARG HD2 H 1 3.140 0.03 . 2 . . . . . 64 ARG HD2 . 15652 1 776 . 1 1 64 64 ARG HD3 H 1 3.140 0.03 . 2 . . . . . 64 ARG HD3 . 15652 1 777 . 1 1 64 64 ARG HG2 H 1 1.558 0.03 . 2 . . . . . 64 ARG HG2 . 15652 1 778 . 1 1 64 64 ARG HG3 H 1 1.558 0.03 . 2 . . . . . 64 ARG HG3 . 15652 1 779 . 1 1 64 64 ARG C C 13 175.574 0.3 . 1 . . . . . 64 ARG C . 15652 1 780 . 1 1 64 64 ARG CA C 13 57.310 0.3 . 1 . . . . . 64 ARG CA . 15652 1 781 . 1 1 64 64 ARG CB C 13 31.928 0.3 . 1 . . . . . 64 ARG CB . 15652 1 782 . 1 1 64 64 ARG CD C 13 43.649 0.3 . 1 . . . . . 64 ARG CD . 15652 1 783 . 1 1 64 64 ARG CG C 13 26.638 0.3 . 1 . . . . . 64 ARG CG . 15652 1 784 . 1 1 64 64 ARG N N 15 129.782 0.3 . 1 . . . . . 64 ARG N . 15652 1 785 . 1 1 65 65 ASN H H 1 8.089 0.03 . 1 . . . . . 65 ASN H . 15652 1 786 . 1 1 65 65 ASN HA H 1 4.662 0.03 . 1 . . . . . 65 ASN HA . 15652 1 787 . 1 1 65 65 ASN HB2 H 1 2.935 0.03 . 2 . . . . . 65 ASN HB2 . 15652 1 788 . 1 1 65 65 ASN HB3 H 1 2.615 0.03 . 2 . . . . . 65 ASN HB3 . 15652 1 789 . 1 1 65 65 ASN HD21 H 1 7.416 0.03 . 1 . . . . . 65 ASN HD21 . 15652 1 790 . 1 1 65 65 ASN HD22 H 1 7.177 0.03 . 1 . . . . . 65 ASN HD22 . 15652 1 791 . 1 1 65 65 ASN C C 13 171.753 0.3 . 1 . . . . . 65 ASN C . 15652 1 792 . 1 1 65 65 ASN CA C 13 53.279 0.3 . 1 . . . . . 65 ASN CA . 15652 1 793 . 1 1 65 65 ASN CB C 13 43.717 0.3 . 1 . . . . . 65 ASN CB . 15652 1 794 . 1 1 65 65 ASN N N 15 114.163 0.3 . 1 . . . . . 65 ASN N . 15652 1 795 . 1 1 65 65 ASN ND2 N 15 112.280 0.3 . 1 . . . . . 65 ASN ND2 . 15652 1 796 . 1 1 66 66 PHE H H 1 9.064 0.03 . 1 . . . . . 66 PHE H . 15652 1 797 . 1 1 66 66 PHE HA H 1 5.738 0.03 . 1 . . . . . 66 PHE HA . 15652 1 798 . 1 1 66 66 PHE HB2 H 1 2.943 0.03 . 2 . . . . . 66 PHE HB2 . 15652 1 799 . 1 1 66 66 PHE HB3 H 1 2.722 0.03 . 2 . . . . . 66 PHE HB3 . 15652 1 800 . 1 1 66 66 PHE HD1 H 1 7.123 0.03 . 3 . . . . . 66 PHE HD1 . 15652 1 801 . 1 1 66 66 PHE HD2 H 1 7.120 0.03 . 3 . . . . . 66 PHE HD2 . 15652 1 802 . 1 1 66 66 PHE HE1 H 1 7.120 0.03 . 3 . . . . . 66 PHE HE1 . 15652 1 803 . 1 1 66 66 PHE HE2 H 1 7.120 0.03 . 3 . . . . . 66 PHE HE2 . 15652 1 804 . 1 1 66 66 PHE HZ H 1 6.651 0.03 . 1 . . . . . 66 PHE HZ . 15652 1 805 . 1 1 66 66 PHE C C 13 174.834 0.3 . 1 . . . . . 66 PHE C . 15652 1 806 . 1 1 66 66 PHE CA C 13 56.578 0.3 . 1 . . . . . 66 PHE CA . 15652 1 807 . 1 1 66 66 PHE CB C 13 41.888 0.3 . 1 . . . . . 66 PHE CB . 15652 1 808 . 1 1 66 66 PHE CD1 C 13 131.676 0.3 . 3 . . . . . 66 PHE CD1 . 15652 1 809 . 1 1 66 66 PHE CD2 C 13 131.676 0.3 . 3 . . . . . 66 PHE CD2 . 15652 1 810 . 1 1 66 66 PHE CE1 C 13 131.676 0.3 . 3 . . . . . 66 PHE CE1 . 15652 1 811 . 1 1 66 66 PHE CE2 C 13 131.676 0.3 . 3 . . . . . 66 PHE CE2 . 15652 1 812 . 1 1 66 66 PHE CZ C 13 128.405 0.3 . 1 . . . . . 66 PHE CZ . 15652 1 813 . 1 1 66 66 PHE N N 15 114.774 0.3 . 1 . . . . . 66 PHE N . 15652 1 814 . 1 1 67 67 GLU H H 1 9.328 0.03 . 1 . . . . . 67 GLU H . 15652 1 815 . 1 1 67 67 GLU HA H 1 5.307 0.03 . 1 . . . . . 67 GLU HA . 15652 1 816 . 1 1 67 67 GLU HB2 H 1 1.912 0.03 . 2 . . . . . 67 GLU HB2 . 15652 1 817 . 1 1 67 67 GLU HB3 H 1 1.848 0.03 . 2 . . . . . 67 GLU HB3 . 15652 1 818 . 1 1 67 67 GLU HG2 H 1 2.144 0.03 . 2 . . . . . 67 GLU HG2 . 15652 1 819 . 1 1 67 67 GLU HG3 H 1 2.059 0.03 . 2 . . . . . 67 GLU HG3 . 15652 1 820 . 1 1 67 67 GLU C C 13 174.999 0.3 . 1 . . . . . 67 GLU C . 15652 1 821 . 1 1 67 67 GLU CA C 13 54.003 0.3 . 1 . . . . . 67 GLU CA . 15652 1 822 . 1 1 67 67 GLU CB C 13 35.678 0.3 . 1 . . . . . 67 GLU CB . 15652 1 823 . 1 1 67 67 GLU CG C 13 36.717 0.3 . 1 . . . . . 67 GLU CG . 15652 1 824 . 1 1 67 67 GLU N N 15 122.005 0.3 . 1 . . . . . 67 GLU N . 15652 1 825 . 1 1 68 68 VAL H H 1 8.598 0.03 . 1 . . . . . 68 VAL H . 15652 1 826 . 1 1 68 68 VAL HA H 1 4.859 0.03 . 1 . . . . . 68 VAL HA . 15652 1 827 . 1 1 68 68 VAL HB H 1 1.841 0.03 . 1 . . . . . 68 VAL HB . 15652 1 828 . 1 1 68 68 VAL HG11 H 1 0.588 0.03 . 1 . . . . . 68 VAL HG1 . 15652 1 829 . 1 1 68 68 VAL HG12 H 1 0.588 0.03 . 1 . . . . . 68 VAL HG1 . 15652 1 830 . 1 1 68 68 VAL HG13 H 1 0.588 0.03 . 1 . . . . . 68 VAL HG1 . 15652 1 831 . 1 1 68 68 VAL HG21 H 1 0.715 0.03 . 1 . . . . . 68 VAL HG2 . 15652 1 832 . 1 1 68 68 VAL HG22 H 1 0.715 0.03 . 1 . . . . . 68 VAL HG2 . 15652 1 833 . 1 1 68 68 VAL HG23 H 1 0.715 0.03 . 1 . . . . . 68 VAL HG2 . 15652 1 834 . 1 1 68 68 VAL C C 13 175.361 0.3 . 1 . . . . . 68 VAL C . 15652 1 835 . 1 1 68 68 VAL CA C 13 62.102 0.3 . 1 . . . . . 68 VAL CA . 15652 1 836 . 1 1 68 68 VAL CB C 13 32.865 0.3 . 1 . . . . . 68 VAL CB . 15652 1 837 . 1 1 68 68 VAL CG1 C 13 21.487 0.3 . 1 . . . . . 68 VAL CG1 . 15652 1 838 . 1 1 68 68 VAL CG2 C 13 22.794 0.3 . 1 . . . . . 68 VAL CG2 . 15652 1 839 . 1 1 68 68 VAL N N 15 124.692 0.3 . 1 . . . . . 68 VAL N . 15652 1 840 . 1 1 69 69 ARG H H 1 8.896 0.03 . 1 . . . . . 69 ARG H . 15652 1 841 . 1 1 69 69 ARG HA H 1 4.888 0.03 . 1 . . . . . 69 ARG HA . 15652 1 842 . 1 1 69 69 ARG HB2 H 1 1.841 0.03 . 2 . . . . . 69 ARG HB2 . 15652 1 843 . 1 1 69 69 ARG HB3 H 1 1.501 0.03 . 2 . . . . . 69 ARG HB3 . 15652 1 844 . 1 1 69 69 ARG HD2 H 1 2.357 0.03 . 2 . . . . . 69 ARG HD2 . 15652 1 845 . 1 1 69 69 ARG HD3 H 1 0.892 0.03 . 2 . . . . . 69 ARG HD3 . 15652 1 846 . 1 1 69 69 ARG HG2 H 1 1.508 0.03 . 2 . . . . . 69 ARG HG2 . 15652 1 847 . 1 1 69 69 ARG HG3 H 1 1.113 0.03 . 2 . . . . . 69 ARG HG3 . 15652 1 848 . 1 1 69 69 ARG C C 13 175.469 0.3 . 1 . . . . . 69 ARG C . 15652 1 849 . 1 1 69 69 ARG CA C 13 54.384 0.3 . 1 . . . . . 69 ARG CA . 15652 1 850 . 1 1 69 69 ARG CB C 13 34.979 0.3 . 1 . . . . . 69 ARG CB . 15652 1 851 . 1 1 69 69 ARG CD C 13 42.229 0.3 . 1 . . . . . 69 ARG CD . 15652 1 852 . 1 1 69 69 ARG CG C 13 27.663 0.3 . 1 . . . . . 69 ARG CG . 15652 1 853 . 1 1 69 69 ARG N N 15 123.599 0.3 . 1 . . . . . 69 ARG N . 15652 1 854 . 1 1 70 70 SER H H 1 8.758 0.03 . 1 . . . . . 70 SER H . 15652 1 855 . 1 1 70 70 SER HA H 1 4.511 0.03 . 1 . . . . . 70 SER HA . 15652 1 856 . 1 1 70 70 SER HB2 H 1 3.896 0.03 . 2 . . . . . 70 SER HB2 . 15652 1 857 . 1 1 70 70 SER HB3 H 1 3.856 0.03 . 2 . . . . . 70 SER HB3 . 15652 1 858 . 1 1 70 70 SER C C 13 173.488 0.3 . 1 . . . . . 70 SER C . 15652 1 859 . 1 1 70 70 SER CA C 13 59.858 0.3 . 1 . . . . . 70 SER CA . 15652 1 860 . 1 1 70 70 SER CB C 13 63.927 0.3 . 1 . . . . . 70 SER CB . 15652 1 861 . 1 1 70 70 SER N N 15 116.239 0.3 . 1 . . . . . 70 SER N . 15652 1 862 . 1 1 71 71 ALA H H 1 8.456 0.03 . 1 . . . . . 71 ALA H . 15652 1 863 . 1 1 71 71 ALA HA H 1 4.688 0.03 . 1 . . . . . 71 ALA HA . 15652 1 864 . 1 1 71 71 ALA HB1 H 1 1.351 0.03 . 1 . . . . . 71 ALA HB . 15652 1 865 . 1 1 71 71 ALA HB2 H 1 1.351 0.03 . 1 . . . . . 71 ALA HB . 15652 1 866 . 1 1 71 71 ALA HB3 H 1 1.351 0.03 . 1 . . . . . 71 ALA HB . 15652 1 867 . 1 1 71 71 ALA C C 13 176.054 0.3 . 1 . . . . . 71 ALA C . 15652 1 868 . 1 1 71 71 ALA CA C 13 51.016 0.3 . 1 . . . . . 71 ALA CA . 15652 1 869 . 1 1 71 71 ALA CB C 13 20.324 0.3 . 1 . . . . . 71 ALA CB . 15652 1 870 . 1 1 71 71 ALA N N 15 128.999 0.3 . 1 . . . . . 71 ALA N . 15652 1 871 . 1 1 72 72 ASP H H 1 7.968 0.03 . 1 . . . . . 72 ASP H . 15652 1 872 . 1 1 72 72 ASP HA H 1 4.361 0.03 . 1 . . . . . 72 ASP HA . 15652 1 873 . 1 1 72 72 ASP HB2 H 1 2.425 0.03 . 2 . . . . . 72 ASP HB2 . 15652 1 874 . 1 1 72 72 ASP HB3 H 1 2.296 0.03 . 2 . . . . . 72 ASP HB3 . 15652 1 875 . 1 1 72 72 ASP C C 13 176.444 0.3 . 1 . . . . . 72 ASP C . 15652 1 876 . 1 1 72 72 ASP CA C 13 54.732 0.3 . 1 . . . . . 72 ASP CA . 15652 1 877 . 1 1 72 72 ASP CB C 13 41.060 0.3 . 1 . . . . . 72 ASP CB . 15652 1 878 . 1 1 72 72 ASP N N 15 118.176 0.3 . 1 . . . . . 72 ASP N . 15652 1 879 . 1 1 73 73 TYR H H 1 8.768 0.03 . 1 . . . . . 73 TYR H . 15652 1 880 . 1 1 73 73 TYR HA H 1 4.309 0.03 . 1 . . . . . 73 TYR HA . 15652 1 881 . 1 1 73 73 TYR HB2 H 1 3.194 0.03 . 2 . . . . . 73 TYR HB2 . 15652 1 882 . 1 1 73 73 TYR HB3 H 1 3.104 0.03 . 2 . . . . . 73 TYR HB3 . 15652 1 883 . 1 1 73 73 TYR HD1 H 1 7.114 0.03 . 3 . . . . . 73 TYR HD1 . 15652 1 884 . 1 1 73 73 TYR HD2 H 1 7.114 0.03 . 3 . . . . . 73 TYR HD2 . 15652 1 885 . 1 1 73 73 TYR HE1 H 1 6.870 0.03 . 3 . . . . . 73 TYR HE1 . 15652 1 886 . 1 1 73 73 TYR HE2 H 1 6.870 0.03 . 3 . . . . . 73 TYR HE2 . 15652 1 887 . 1 1 73 73 TYR C C 13 176.601 0.3 . 1 . . . . . 73 TYR C . 15652 1 888 . 1 1 73 73 TYR CA C 13 58.799 0.3 . 1 . . . . . 73 TYR CA . 15652 1 889 . 1 1 73 73 TYR CB C 13 36.239 0.3 . 1 . . . . . 73 TYR CB . 15652 1 890 . 1 1 73 73 TYR CD1 C 13 133.293 0.3 . 3 . . . . . 73 TYR CD1 . 15652 1 891 . 1 1 73 73 TYR CD2 C 13 133.293 0.3 . 3 . . . . . 73 TYR CD2 . 15652 1 892 . 1 1 73 73 TYR CE1 C 13 118.377 0.3 . 3 . . . . . 73 TYR CE1 . 15652 1 893 . 1 1 73 73 TYR CE2 C 13 118.377 0.3 . 3 . . . . . 73 TYR CE2 . 15652 1 894 . 1 1 73 73 TYR N N 15 117.846 0.3 . 1 . . . . . 73 TYR N . 15652 1 895 . 1 1 74 74 GLY H H 1 8.533 0.03 . 1 . . . . . 74 GLY H . 15652 1 896 . 1 1 74 74 GLY HA2 H 1 4.069 0.03 . 2 . . . . . 74 GLY HA2 . 15652 1 897 . 1 1 74 74 GLY HA3 H 1 3.844 0.03 . 2 . . . . . 74 GLY HA3 . 15652 1 898 . 1 1 74 74 GLY C C 13 175.060 0.3 . 1 . . . . . 74 GLY C . 15652 1 899 . 1 1 74 74 GLY CA C 13 46.117 0.3 . 1 . . . . . 74 GLY CA . 15652 1 900 . 1 1 74 74 GLY N N 15 108.255 0.3 . 1 . . . . . 74 GLY N . 15652 1 901 . 1 1 75 75 THR H H 1 7.534 0.03 . 1 . . . . . 75 THR H . 15652 1 902 . 1 1 75 75 THR HA H 1 4.687 0.03 . 1 . . . . . 75 THR HA . 15652 1 903 . 1 1 75 75 THR HB H 1 4.389 0.03 . 1 . . . . . 75 THR HB . 15652 1 904 . 1 1 75 75 THR HG21 H 1 1.282 0.03 . 1 . . . . . 75 THR HG2 . 15652 1 905 . 1 1 75 75 THR HG22 H 1 1.282 0.03 . 1 . . . . . 75 THR HG2 . 15652 1 906 . 1 1 75 75 THR HG23 H 1 1.282 0.03 . 1 . . . . . 75 THR HG2 . 15652 1 907 . 1 1 75 75 THR C C 13 173.779 0.3 . 1 . . . . . 75 THR C . 15652 1 908 . 1 1 75 75 THR CA C 13 61.115 0.3 . 1 . . . . . 75 THR CA . 15652 1 909 . 1 1 75 75 THR CB C 13 71.585 0.3 . 1 . . . . . 75 THR CB . 15652 1 910 . 1 1 75 75 THR CG2 C 13 21.497 0.3 . 1 . . . . . 75 THR CG2 . 15652 1 911 . 1 1 75 75 THR N N 15 111.431 0.3 . 1 . . . . . 75 THR N . 15652 1 912 . 1 1 76 76 GLN H H 1 8.590 0.03 . 1 . . . . . 76 GLN H . 15652 1 913 . 1 1 76 76 GLN HA H 1 5.238 0.03 . 1 . . . . . 76 GLN HA . 15652 1 914 . 1 1 76 76 GLN HB2 H 1 1.998 0.03 . 2 . . . . . 76 GLN HB2 . 15652 1 915 . 1 1 76 76 GLN HB3 H 1 1.680 0.03 . 2 . . . . . 76 GLN HB3 . 15652 1 916 . 1 1 76 76 GLN HE21 H 1 5.929 0.03 . 1 . . . . . 76 GLN HE21 . 15652 1 917 . 1 1 76 76 GLN HE22 H 1 7.229 0.03 . 1 . . . . . 76 GLN HE22 . 15652 1 918 . 1 1 76 76 GLN HG2 H 1 2.150 0.03 . 2 . . . . . 76 GLN HG2 . 15652 1 919 . 1 1 76 76 GLN HG3 H 1 1.936 0.03 . 2 . . . . . 76 GLN HG3 . 15652 1 920 . 1 1 76 76 GLN C C 13 173.605 0.3 . 1 . . . . . 76 GLN C . 15652 1 921 . 1 1 76 76 GLN CA C 13 54.556 0.3 . 1 . . . . . 76 GLN CA . 15652 1 922 . 1 1 76 76 GLN CB C 13 31.657 0.3 . 1 . . . . . 76 GLN CB . 15652 1 923 . 1 1 76 76 GLN CG C 13 33.366 0.3 . 1 . . . . . 76 GLN CG . 15652 1 924 . 1 1 76 76 GLN N N 15 117.495 0.3 . 1 . . . . . 76 GLN N . 15652 1 925 . 1 1 76 76 GLN NE2 N 15 112.198 0.3 . 1 . . . . . 76 GLN NE2 . 15652 1 926 . 1 1 77 77 CYS H H 1 9.058 0.03 . 1 . . . . . 77 CYS H . 15652 1 927 . 1 1 77 77 CYS HA H 1 4.780 0.03 . 1 . . . . . 77 CYS HA . 15652 1 928 . 1 1 77 77 CYS HB2 H 1 3.104 0.03 . 2 . . . . . 77 CYS HB2 . 15652 1 929 . 1 1 77 77 CYS HB3 H 1 2.957 0.03 . 2 . . . . . 77 CYS HB3 . 15652 1 930 . 1 1 77 77 CYS C C 13 172.371 0.3 . 1 . . . . . 77 CYS C . 15652 1 931 . 1 1 77 77 CYS CA C 13 56.886 0.3 . 1 . . . . . 77 CYS CA . 15652 1 932 . 1 1 77 77 CYS CB C 13 31.492 0.3 . 1 . . . . . 77 CYS CB . 15652 1 933 . 1 1 77 77 CYS N N 15 114.572 0.3 . 1 . . . . . 77 CYS N . 15652 1 934 . 1 1 78 78 PHE H H 1 8.872 0.03 . 1 . . . . . 78 PHE H . 15652 1 935 . 1 1 78 78 PHE HA H 1 5.419 0.03 . 1 . . . . . 78 PHE HA . 15652 1 936 . 1 1 78 78 PHE HB2 H 1 3.100 0.03 . 2 . . . . . 78 PHE HB2 . 15652 1 937 . 1 1 78 78 PHE HB3 H 1 3.020 0.03 . 2 . . . . . 78 PHE HB3 . 15652 1 938 . 1 1 78 78 PHE HD1 H 1 7.149 0.03 . 3 . . . . . 78 PHE HD1 . 15652 1 939 . 1 1 78 78 PHE HD2 H 1 7.158 0.03 . 3 . . . . . 78 PHE HD2 . 15652 1 940 . 1 1 78 78 PHE HE1 H 1 6.799 0.03 . 3 . . . . . 78 PHE HE1 . 15652 1 941 . 1 1 78 78 PHE HE2 H 1 6.791 0.03 . 3 . . . . . 78 PHE HE2 . 15652 1 942 . 1 1 78 78 PHE HZ H 1 6.862 0.03 . 1 . . . . . 78 PHE HZ . 15652 1 943 . 1 1 78 78 PHE CA C 13 58.466 0.3 . 1 . . . . . 78 PHE CA . 15652 1 944 . 1 1 78 78 PHE CB C 13 42.360 0.3 . 1 . . . . . 78 PHE CB . 15652 1 945 . 1 1 78 78 PHE CD1 C 13 132.064 0.3 . 3 . . . . . 78 PHE CD1 . 15652 1 946 . 1 1 78 78 PHE CD2 C 13 132.064 0.3 . 3 . . . . . 78 PHE CD2 . 15652 1 947 . 1 1 78 78 PHE CE1 C 13 131.203 0.3 . 3 . . . . . 78 PHE CE1 . 15652 1 948 . 1 1 78 78 PHE CE2 C 13 131.203 0.3 . 3 . . . . . 78 PHE CE2 . 15652 1 949 . 1 1 78 78 PHE CZ C 13 130.003 0.3 . 1 . . . . . 78 PHE CZ . 15652 1 950 . 1 1 78 78 PHE N N 15 120.396 0.3 . 1 . . . . . 78 PHE N . 15652 1 951 . 1 1 79 79 TRP H H 1 10.003 0.03 . 1 . . . . . 79 TRP H . 15652 1 952 . 1 1 79 79 TRP HA H 1 4.907 0.03 . 1 . . . . . 79 TRP HA . 15652 1 953 . 1 1 79 79 TRP HB2 H 1 2.949 0.03 . 2 . . . . . 79 TRP HB2 . 15652 1 954 . 1 1 79 79 TRP HB3 H 1 2.958 0.03 . 2 . . . . . 79 TRP HB3 . 15652 1 955 . 1 1 79 79 TRP HD1 H 1 7.130 0.03 . 1 . . . . . 79 TRP HD1 . 15652 1 956 . 1 1 79 79 TRP HE1 H 1 10.262 0.03 . 1 . . . . . 79 TRP HE1 . 15652 1 957 . 1 1 79 79 TRP HE3 H 1 7.222 0.03 . 1 . . . . . 79 TRP HE3 . 15652 1 958 . 1 1 79 79 TRP HH2 H 1 7.231 0.03 . 1 . . . . . 79 TRP HH2 . 15652 1 959 . 1 1 79 79 TRP HZ2 H 1 7.435 0.03 . 1 . . . . . 79 TRP HZ2 . 15652 1 960 . 1 1 79 79 TRP HZ3 H 1 6.946 0.03 . 1 . . . . . 79 TRP HZ3 . 15652 1 961 . 1 1 79 79 TRP CA C 13 57.535 0.3 . 1 . . . . . 79 TRP CA . 15652 1 962 . 1 1 79 79 TRP CB C 13 30.788 0.3 . 1 . . . . . 79 TRP CB . 15652 1 963 . 1 1 79 79 TRP CD1 C 13 124.851 0.3 . 1 . . . . . 79 TRP CD1 . 15652 1 964 . 1 1 79 79 TRP CE3 C 13 120.141 0.3 . 1 . . . . . 79 TRP CE3 . 15652 1 965 . 1 1 79 79 TRP CH2 C 13 124.836 0.3 . 1 . . . . . 79 TRP CH2 . 15652 1 966 . 1 1 79 79 TRP CZ2 C 13 114.430 0.3 . 1 . . . . . 79 TRP CZ2 . 15652 1 967 . 1 1 79 79 TRP CZ3 C 13 122.143 0.3 . 1 . . . . . 79 TRP CZ3 . 15652 1 968 . 1 1 79 79 TRP N N 15 120.993 0.3 . 1 . . . . . 79 TRP N . 15652 1 969 . 1 1 79 79 TRP NE1 N 15 130.369 0.3 . 1 . . . . . 79 TRP NE1 . 15652 1 970 . 1 1 80 80 ILE H H 1 9.669 0.03 . 1 . . . . . 80 ILE H . 15652 1 971 . 1 1 80 80 ILE HA H 1 3.773 0.03 . 1 . . . . . 80 ILE HA . 15652 1 972 . 1 1 80 80 ILE HB H 1 1.859 0.03 . 1 . . . . . 80 ILE HB . 15652 1 973 . 1 1 80 80 ILE HD11 H 1 0.536 0.03 . 1 . . . . . 80 ILE HD1 . 15652 1 974 . 1 1 80 80 ILE HD12 H 1 0.536 0.03 . 1 . . . . . 80 ILE HD1 . 15652 1 975 . 1 1 80 80 ILE HD13 H 1 0.536 0.03 . 1 . . . . . 80 ILE HD1 . 15652 1 976 . 1 1 80 80 ILE HG12 H 1 1.761 0.03 . 2 . . . . . 80 ILE HG12 . 15652 1 977 . 1 1 80 80 ILE HG13 H 1 0.752 0.03 . 2 . . . . . 80 ILE HG13 . 15652 1 978 . 1 1 80 80 ILE HG21 H 1 0.615 0.03 . 1 . . . . . 80 ILE HG2 . 15652 1 979 . 1 1 80 80 ILE HG22 H 1 0.615 0.03 . 1 . . . . . 80 ILE HG2 . 15652 1 980 . 1 1 80 80 ILE HG23 H 1 0.615 0.03 . 1 . . . . . 80 ILE HG2 . 15652 1 981 . 1 1 80 80 ILE C C 13 174.675 0.3 . 1 . . . . . 80 ILE C . 15652 1 982 . 1 1 80 80 ILE CA C 13 61.505 0.3 . 1 . . . . . 80 ILE CA . 15652 1 983 . 1 1 80 80 ILE CB C 13 40.765 0.3 . 1 . . . . . 80 ILE CB . 15652 1 984 . 1 1 80 80 ILE CD1 C 13 15.872 0.3 . 1 . . . . . 80 ILE CD1 . 15652 1 985 . 1 1 80 80 ILE CG1 C 13 28.436 0.3 . 1 . . . . . 80 ILE CG1 . 15652 1 986 . 1 1 80 80 ILE CG2 C 13 19.289 0.3 . 1 . . . . . 80 ILE CG2 . 15652 1 987 . 1 1 80 80 ILE N N 15 122.205 0.3 . 1 . . . . . 80 ILE N . 15652 1 988 . 1 1 81 81 LEU H H 1 8.489 0.03 . 1 . . . . . 81 LEU H . 15652 1 989 . 1 1 81 81 LEU HA H 1 5.037 0.03 . 1 . . . . . 81 LEU HA . 15652 1 990 . 1 1 81 81 LEU HB2 H 1 1.670 0.03 . 2 . . . . . 81 LEU HB2 . 15652 1 991 . 1 1 81 81 LEU HB3 H 1 1.606 0.03 . 2 . . . . . 81 LEU HB3 . 15652 1 992 . 1 1 81 81 LEU HD11 H 1 0.843 0.03 . 1 . . . . . 81 LEU HD1 . 15652 1 993 . 1 1 81 81 LEU HD12 H 1 0.843 0.03 . 1 . . . . . 81 LEU HD1 . 15652 1 994 . 1 1 81 81 LEU HD13 H 1 0.843 0.03 . 1 . . . . . 81 LEU HD1 . 15652 1 995 . 1 1 81 81 LEU HD21 H 1 0.822 0.03 . 1 . . . . . 81 LEU HD2 . 15652 1 996 . 1 1 81 81 LEU HD22 H 1 0.822 0.03 . 1 . . . . . 81 LEU HD2 . 15652 1 997 . 1 1 81 81 LEU HD23 H 1 0.822 0.03 . 1 . . . . . 81 LEU HD2 . 15652 1 998 . 1 1 81 81 LEU HG H 1 1.676 0.03 . 1 . . . . . 81 LEU HG . 15652 1 999 . 1 1 81 81 LEU C C 13 177.301 0.3 . 1 . . . . . 81 LEU C . 15652 1 1000 . 1 1 81 81 LEU CA C 13 53.483 0.3 . 1 . . . . . 81 LEU CA . 15652 1 1001 . 1 1 81 81 LEU CB C 13 40.344 0.3 . 1 . . . . . 81 LEU CB . 15652 1 1002 . 1 1 81 81 LEU CD1 C 13 24.795 0.3 . 1 . . . . . 81 LEU CD1 . 15652 1 1003 . 1 1 81 81 LEU CD2 C 13 23.855 0.3 . 1 . . . . . 81 LEU CD2 . 15652 1 1004 . 1 1 81 81 LEU CG C 13 28.032 0.3 . 1 . . . . . 81 LEU CG . 15652 1 1005 . 1 1 81 81 LEU N N 15 127.849 0.3 . 1 . . . . . 81 LEU N . 15652 1 1006 . 1 1 82 82 ARG H H 1 8.980 0.03 . 1 . . . . . 82 ARG H . 15652 1 1007 . 1 1 82 82 ARG HA H 1 5.127 0.03 . 1 . . . . . 82 ARG HA . 15652 1 1008 . 1 1 82 82 ARG HB2 H 1 2.204 0.03 . 2 . . . . . 82 ARG HB2 . 15652 1 1009 . 1 1 82 82 ARG HB3 H 1 1.837 0.03 . 2 . . . . . 82 ARG HB3 . 15652 1 1010 . 1 1 82 82 ARG HD2 H 1 3.272 0.03 . 2 . . . . . 82 ARG HD2 . 15652 1 1011 . 1 1 82 82 ARG HD3 H 1 2.999 0.03 . 2 . . . . . 82 ARG HD3 . 15652 1 1012 . 1 1 82 82 ARG HG2 H 1 1.502 0.03 . 2 . . . . . 82 ARG HG2 . 15652 1 1013 . 1 1 82 82 ARG HG3 H 1 1.370 0.03 . 2 . . . . . 82 ARG HG3 . 15652 1 1014 . 1 1 82 82 ARG C C 13 179.527 0.3 . 1 . . . . . 82 ARG C . 15652 1 1015 . 1 1 82 82 ARG CA C 13 57.410 0.3 . 1 . . . . . 82 ARG CA . 15652 1 1016 . 1 1 82 82 ARG CB C 13 31.995 0.3 . 1 . . . . . 82 ARG CB . 15652 1 1017 . 1 1 82 82 ARG CD C 13 43.543 0.3 . 1 . . . . . 82 ARG CD . 15652 1 1018 . 1 1 82 82 ARG CG C 13 30.292 0.3 . 1 . . . . . 82 ARG CG . 15652 1 1019 . 1 1 82 82 ARG N N 15 121.829 0.3 . 1 . . . . . 82 ARG N . 15652 1 1020 . 1 1 83 83 THR H H 1 8.427 0.03 . 1 . . . . . 83 THR H . 15652 1 1021 . 1 1 83 83 THR HA H 1 3.823 0.03 . 1 . . . . . 83 THR HA . 15652 1 1022 . 1 1 83 83 THR HB H 1 4.293 0.03 . 1 . . . . . 83 THR HB . 15652 1 1023 . 1 1 83 83 THR HG21 H 1 0.982 0.03 . 1 . . . . . 83 THR HG2 . 15652 1 1024 . 1 1 83 83 THR HG22 H 1 0.982 0.03 . 1 . . . . . 83 THR HG2 . 15652 1 1025 . 1 1 83 83 THR HG23 H 1 0.982 0.03 . 1 . . . . . 83 THR HG2 . 15652 1 1026 . 1 1 83 83 THR C C 13 174.540 0.3 . 1 . . . . . 83 THR C . 15652 1 1027 . 1 1 83 83 THR CA C 13 64.441 0.3 . 1 . . . . . 83 THR CA . 15652 1 1028 . 1 1 83 83 THR CB C 13 67.987 0.3 . 1 . . . . . 83 THR CB . 15652 1 1029 . 1 1 83 83 THR CG2 C 13 22.165 0.3 . 1 . . . . . 83 THR CG2 . 15652 1 1030 . 1 1 83 83 THR N N 15 111.631 0.3 . 1 . . . . . 83 THR N . 15652 1 1031 . 1 1 84 84 ASP H H 1 7.431 0.03 . 1 . . . . . 84 ASP H . 15652 1 1032 . 1 1 84 84 ASP HA H 1 4.706 0.03 . 1 . . . . . 84 ASP HA . 15652 1 1033 . 1 1 84 84 ASP HB2 H 1 3.169 0.03 . 2 . . . . . 84 ASP HB2 . 15652 1 1034 . 1 1 84 84 ASP HB3 H 1 2.529 0.03 . 2 . . . . . 84 ASP HB3 . 15652 1 1035 . 1 1 84 84 ASP C C 13 177.092 0.3 . 1 . . . . . 84 ASP C . 15652 1 1036 . 1 1 84 84 ASP CA C 13 52.983 0.3 . 1 . . . . . 84 ASP CA . 15652 1 1037 . 1 1 84 84 ASP CB C 13 40.502 0.3 . 1 . . . . . 84 ASP CB . 15652 1 1038 . 1 1 84 84 ASP N N 15 117.630 0.3 . 1 . . . . . 84 ASP N . 15652 1 1039 . 1 1 85 85 GLY H H 1 7.924 0.03 . 1 . . . . . 85 GLY H . 15652 1 1040 . 1 1 85 85 GLY HA2 H 1 3.741 0.03 . 2 . . . . . 85 GLY HA2 . 15652 1 1041 . 1 1 85 85 GLY HA3 H 1 4.364 0.03 . 2 . . . . . 85 GLY HA3 . 15652 1 1042 . 1 1 85 85 GLY C C 13 174.007 0.3 . 1 . . . . . 85 GLY C . 15652 1 1043 . 1 1 85 85 GLY CA C 13 45.370 0.3 . 1 . . . . . 85 GLY CA . 15652 1 1044 . 1 1 85 85 GLY N N 15 108.078 0.3 . 1 . . . . . 85 GLY N . 15652 1 1045 . 1 1 86 86 SER H H 1 8.009 0.03 . 1 . . . . . 86 SER H . 15652 1 1046 . 1 1 86 86 SER HA H 1 4.563 0.03 . 1 . . . . . 86 SER HA . 15652 1 1047 . 1 1 86 86 SER HB2 H 1 4.134 0.03 . 2 . . . . . 86 SER HB2 . 15652 1 1048 . 1 1 86 86 SER HB3 H 1 3.982 0.03 . 2 . . . . . 86 SER HB3 . 15652 1 1049 . 1 1 86 86 SER C C 13 172.835 0.3 . 1 . . . . . 86 SER C . 15652 1 1050 . 1 1 86 86 SER CA C 13 58.731 0.3 . 1 . . . . . 86 SER CA . 15652 1 1051 . 1 1 86 86 SER CB C 13 64.803 0.3 . 1 . . . . . 86 SER CB . 15652 1 1052 . 1 1 86 86 SER N N 15 117.029 0.3 . 1 . . . . . 86 SER N . 15652 1 1053 . 1 1 87 87 GLU H H 1 8.593 0.03 . 1 . . . . . 87 GLU H . 15652 1 1054 . 1 1 87 87 GLU HA H 1 5.921 0.03 . 1 . . . . . 87 GLU HA . 15652 1 1055 . 1 1 87 87 GLU HB2 H 1 2.345 0.03 . 2 . . . . . 87 GLU HB2 . 15652 1 1056 . 1 1 87 87 GLU HB3 H 1 2.155 0.03 . 2 . . . . . 87 GLU HB3 . 15652 1 1057 . 1 1 87 87 GLU HG2 H 1 2.406 0.03 . 2 . . . . . 87 GLU HG2 . 15652 1 1058 . 1 1 87 87 GLU HG3 H 1 2.406 0.03 . 2 . . . . . 87 GLU HG3 . 15652 1 1059 . 1 1 87 87 GLU C C 13 175.873 0.3 . 1 . . . . . 87 GLU C . 15652 1 1060 . 1 1 87 87 GLU CA C 13 54.343 0.3 . 1 . . . . . 87 GLU CA . 15652 1 1061 . 1 1 87 87 GLU CB C 13 33.925 0.3 . 1 . . . . . 87 GLU CB . 15652 1 1062 . 1 1 87 87 GLU CG C 13 35.224 0.3 . 1 . . . . . 87 GLU CG . 15652 1 1063 . 1 1 87 87 GLU N N 15 116.585 0.3 . 1 . . . . . 87 GLU N . 15652 1 1064 . 1 1 88 88 GLU HA H 1 4.496 0.03 . 1 . . . . . 88 GLU HA . 15652 1 1065 . 1 1 88 88 GLU HB2 H 1 2.006 0.03 . 2 . . . . . 88 GLU HB2 . 15652 1 1066 . 1 1 88 88 GLU HB3 H 1 1.669 0.03 . 2 . . . . . 88 GLU HB3 . 15652 1 1067 . 1 1 88 88 GLU HG2 H 1 2.282 0.03 . 2 . . . . . 88 GLU HG2 . 15652 1 1068 . 1 1 88 88 GLU HG3 H 1 2.282 0.03 . 2 . . . . . 88 GLU HG3 . 15652 1 1069 . 1 1 88 88 GLU CA C 13 55.840 0.3 . 1 . . . . . 88 GLU CA . 15652 1 1070 . 1 1 88 88 GLU CB C 13 34.310 0.3 . 1 . . . . . 88 GLU CB . 15652 1 1071 . 1 1 88 88 GLU CG C 13 35.895 0.3 . 1 . . . . . 88 GLU CG . 15652 1 1072 . 1 1 89 89 ARG H H 1 8.013 0.03 . 1 . . . . . 89 ARG H . 15652 1 1073 . 1 1 89 89 ARG HA H 1 3.184 0.03 . 1 . . . . . 89 ARG HA . 15652 1 1074 . 1 1 89 89 ARG HB2 H 1 0.935 0.03 . 2 . . . . . 89 ARG HB2 . 15652 1 1075 . 1 1 89 89 ARG HB3 H 1 0.560 0.03 . 2 . . . . . 89 ARG HB3 . 15652 1 1076 . 1 1 89 89 ARG HD2 H 1 3.072 0.03 . 2 . . . . . 89 ARG HD2 . 15652 1 1077 . 1 1 89 89 ARG HD3 H 1 2.964 0.03 . 2 . . . . . 89 ARG HD3 . 15652 1 1078 . 1 1 89 89 ARG HG2 H 1 1.036 0.03 . 2 . . . . . 89 ARG HG2 . 15652 1 1079 . 1 1 89 89 ARG HG3 H 1 0.923 0.03 . 2 . . . . . 89 ARG HG3 . 15652 1 1080 . 1 1 89 89 ARG CA C 13 56.576 0.3 . 1 . . . . . 89 ARG CA . 15652 1 1081 . 1 1 89 89 ARG CB C 13 30.462 0.3 . 1 . . . . . 89 ARG CB . 15652 1 1082 . 1 1 89 89 ARG CD C 13 43.827 0.3 . 1 . . . . . 89 ARG CD . 15652 1 1083 . 1 1 89 89 ARG CG C 13 26.722 0.3 . 1 . . . . . 89 ARG CG . 15652 1 1084 . 1 1 89 89 ARG N N 15 127.945 0.3 . 1 . . . . . 89 ARG N . 15652 1 1085 . 1 1 90 90 PHE HA H 1 5.021 0.03 . 1 . . . . . 90 PHE HA . 15652 1 1086 . 1 1 90 90 PHE HB2 H 1 3.148 0.03 . 2 . . . . . 90 PHE HB2 . 15652 1 1087 . 1 1 90 90 PHE HB3 H 1 2.854 0.03 . 2 . . . . . 90 PHE HB3 . 15652 1 1088 . 1 1 90 90 PHE HD1 H 1 6.982 0.03 . 3 . . . . . 90 PHE HD1 . 15652 1 1089 . 1 1 90 90 PHE HD2 H 1 6.977 0.03 . 3 . . . . . 90 PHE HD2 . 15652 1 1090 . 1 1 90 90 PHE HE1 H 1 7.127 0.03 . 3 . . . . . 90 PHE HE1 . 15652 1 1091 . 1 1 90 90 PHE HE2 H 1 7.127 0.03 . 3 . . . . . 90 PHE HE2 . 15652 1 1092 . 1 1 90 90 PHE HZ H 1 6.862 0.03 . 1 . . . . . 90 PHE HZ . 15652 1 1093 . 1 1 90 90 PHE CA C 13 55.089 0.3 . 1 . . . . . 90 PHE CA . 15652 1 1094 . 1 1 90 90 PHE CB C 13 40.446 0.3 . 1 . . . . . 90 PHE CB . 15652 1 1095 . 1 1 90 90 PHE CD1 C 13 130.813 0.3 . 3 . . . . . 90 PHE CD1 . 15652 1 1096 . 1 1 90 90 PHE CD2 C 13 130.772 0.3 . 3 . . . . . 90 PHE CD2 . 15652 1 1097 . 1 1 90 90 PHE CE1 C 13 131.231 0.3 . 3 . . . . . 90 PHE CE1 . 15652 1 1098 . 1 1 90 90 PHE CE2 C 13 131.231 0.3 . 3 . . . . . 90 PHE CE2 . 15652 1 1099 . 1 1 90 90 PHE CZ C 13 128.754 0.3 . 1 . . . . . 90 PHE CZ . 15652 1 1100 . 1 1 91 91 SER HA H 1 4.639 0.03 . 1 . . . . . 91 SER HA . 15652 1 1101 . 1 1 91 91 SER HB2 H 1 3.966 0.03 . 2 . . . . . 91 SER HB2 . 15652 1 1102 . 1 1 91 91 SER HB3 H 1 3.965 0.03 . 2 . . . . . 91 SER HB3 . 15652 1 1103 . 1 1 91 91 SER CA C 13 56.242 0.3 . 1 . . . . . 91 SER CA . 15652 1 1104 . 1 1 91 91 SER CB C 13 62.621 0.3 . 1 . . . . . 91 SER CB . 15652 1 1105 . 1 1 92 92 TYR HA H 1 4.268 0.03 . 1 . . . . . 92 TYR HA . 15652 1 1106 . 1 1 92 92 TYR HB2 H 1 3.438 0.03 . 2 . . . . . 92 TYR HB2 . 15652 1 1107 . 1 1 92 92 TYR HB3 H 1 2.367 0.03 . 2 . . . . . 92 TYR HB3 . 15652 1 1108 . 1 1 92 92 TYR HD1 H 1 7.152 0.03 . 3 . . . . . 92 TYR HD1 . 15652 1 1109 . 1 1 92 92 TYR HD2 H 1 7.152 0.03 . 3 . . . . . 92 TYR HD2 . 15652 1 1110 . 1 1 92 92 TYR HE1 H 1 6.865 0.03 . 3 . . . . . 92 TYR HE1 . 15652 1 1111 . 1 1 92 92 TYR HE2 H 1 6.865 0.03 . 3 . . . . . 92 TYR HE2 . 15652 1 1112 . 1 1 92 92 TYR C C 13 176.450 0.3 . 1 . . . . . 92 TYR C . 15652 1 1113 . 1 1 92 92 TYR CA C 13 59.575 0.3 . 1 . . . . . 92 TYR CA . 15652 1 1114 . 1 1 92 92 TYR CB C 13 37.283 0.3 . 1 . . . . . 92 TYR CB . 15652 1 1115 . 1 1 92 92 TYR CD1 C 13 133.494 0.3 . 3 . . . . . 92 TYR CD1 . 15652 1 1116 . 1 1 92 92 TYR CD2 C 13 133.494 0.3 . 3 . . . . . 92 TYR CD2 . 15652 1 1117 . 1 1 92 92 TYR CE1 C 13 118.168 0.3 . 3 . . . . . 92 TYR CE1 . 15652 1 1118 . 1 1 92 92 TYR CE2 C 13 118.168 0.3 . 3 . . . . . 92 TYR CE2 . 15652 1 1119 . 1 1 93 93 LYS H H 1 7.405 0.03 . 1 . . . . . 93 LYS H . 15652 1 1120 . 1 1 93 93 LYS HA H 1 3.749 0.03 . 1 . . . . . 93 LYS HA . 15652 1 1121 . 1 1 93 93 LYS HB2 H 1 1.655 0.03 . 2 . . . . . 93 LYS HB2 . 15652 1 1122 . 1 1 93 93 LYS HB3 H 1 1.440 0.03 . 2 . . . . . 93 LYS HB3 . 15652 1 1123 . 1 1 93 93 LYS HD2 H 1 1.555 0.03 . 2 . . . . . 93 LYS HD2 . 15652 1 1124 . 1 1 93 93 LYS HD3 H 1 1.478 0.03 . 2 . . . . . 93 LYS HD3 . 15652 1 1125 . 1 1 93 93 LYS HE2 H 1 2.872 0.03 . 2 . . . . . 93 LYS HE2 . 15652 1 1126 . 1 1 93 93 LYS HE3 H 1 2.828 0.03 . 2 . . . . . 93 LYS HE3 . 15652 1 1127 . 1 1 93 93 LYS HG2 H 1 0.987 0.03 . 2 . . . . . 93 LYS HG2 . 15652 1 1128 . 1 1 93 93 LYS HG3 H 1 0.761 0.03 . 2 . . . . . 93 LYS HG3 . 15652 1 1129 . 1 1 93 93 LYS C C 13 177.715 0.3 . 1 . . . . . 93 LYS C . 15652 1 1130 . 1 1 93 93 LYS CA C 13 58.446 0.3 . 1 . . . . . 93 LYS CA . 15652 1 1131 . 1 1 93 93 LYS CB C 13 31.822 0.3 . 1 . . . . . 93 LYS CB . 15652 1 1132 . 1 1 93 93 LYS CD C 13 29.470 0.3 . 1 . . . . . 93 LYS CD . 15652 1 1133 . 1 1 93 93 LYS CE C 13 42.044 0.3 . 1 . . . . . 93 LYS CE . 15652 1 1134 . 1 1 93 93 LYS CG C 13 25.872 0.3 . 1 . . . . . 93 LYS CG . 15652 1 1135 . 1 1 93 93 LYS N N 15 120.689 0.3 . 1 . . . . . 93 LYS N . 15652 1 1136 . 1 1 94 94 LYS H H 1 7.405 0.03 . 1 . . . . . 94 LYS H . 15652 1 1137 . 1 1 94 94 LYS HA H 1 4.079 0.03 . 1 . . . . . 94 LYS HA . 15652 1 1138 . 1 1 94 94 LYS HB2 H 1 1.646 0.03 . 2 . . . . . 94 LYS HB2 . 15652 1 1139 . 1 1 94 94 LYS HB3 H 1 1.500 0.03 . 2 . . . . . 94 LYS HB3 . 15652 1 1140 . 1 1 94 94 LYS HD2 H 1 1.772 0.03 . 2 . . . . . 94 LYS HD2 . 15652 1 1141 . 1 1 94 94 LYS HD3 H 1 1.652 0.03 . 2 . . . . . 94 LYS HD3 . 15652 1 1142 . 1 1 94 94 LYS HE2 H 1 2.957 0.03 . 2 . . . . . 94 LYS HE2 . 15652 1 1143 . 1 1 94 94 LYS HE3 H 1 2.957 0.03 . 2 . . . . . 94 LYS HE3 . 15652 1 1144 . 1 1 94 94 LYS HG2 H 1 1.505 0.03 . 2 . . . . . 94 LYS HG2 . 15652 1 1145 . 1 1 94 94 LYS HG3 H 1 1.279 0.03 . 2 . . . . . 94 LYS HG3 . 15652 1 1146 . 1 1 94 94 LYS C C 13 176.709 0.3 . 1 . . . . . 94 LYS C . 15652 1 1147 . 1 1 94 94 LYS CA C 13 56.479 0.3 . 1 . . . . . 94 LYS CA . 15652 1 1148 . 1 1 94 94 LYS CB C 13 32.760 0.3 . 1 . . . . . 94 LYS CB . 15652 1 1149 . 1 1 94 94 LYS CD C 13 29.356 0.3 . 1 . . . . . 94 LYS CD . 15652 1 1150 . 1 1 94 94 LYS CE C 13 42.193 0.3 . 1 . . . . . 94 LYS CE . 15652 1 1151 . 1 1 94 94 LYS CG C 13 25.865 0.3 . 1 . . . . . 94 LYS CG . 15652 1 1152 . 1 1 94 94 LYS N N 15 115.712 0.3 . 1 . . . . . 94 LYS N . 15652 1 1153 . 1 1 95 95 CYS H H 1 7.537 0.03 . 1 . . . . . 95 CYS H . 15652 1 1154 . 1 1 95 95 CYS HA H 1 3.937 0.03 . 1 . . . . . 95 CYS HA . 15652 1 1155 . 1 1 95 95 CYS HB2 H 1 2.966 0.03 . 2 . . . . . 95 CYS HB2 . 15652 1 1156 . 1 1 95 95 CYS HB3 H 1 2.912 0.03 . 2 . . . . . 95 CYS HB3 . 15652 1 1157 . 1 1 95 95 CYS C C 13 173.487 0.3 . 1 . . . . . 95 CYS C . 15652 1 1158 . 1 1 95 95 CYS CA C 13 61.795 0.3 . 1 . . . . . 95 CYS CA . 15652 1 1159 . 1 1 95 95 CYS CB C 13 27.546 0.3 . 1 . . . . . 95 CYS CB . 15652 1 1160 . 1 1 95 95 CYS N N 15 115.586 0.3 . 1 . . . . . 95 CYS N . 15652 1 1161 . 1 1 96 96 VAL HA H 1 4.154 0.03 . 1 . . . . . 96 VAL HA . 15652 1 1162 . 1 1 96 96 VAL HB H 1 2.212 0.03 . 1 . . . . . 96 VAL HB . 15652 1 1163 . 1 1 96 96 VAL HG11 H 1 0.868 0.03 . 1 . . . . . 96 VAL HG1 . 15652 1 1164 . 1 1 96 96 VAL HG12 H 1 0.868 0.03 . 1 . . . . . 96 VAL HG1 . 15652 1 1165 . 1 1 96 96 VAL HG13 H 1 0.868 0.03 . 1 . . . . . 96 VAL HG1 . 15652 1 1166 . 1 1 96 96 VAL HG21 H 1 0.893 0.03 . 1 . . . . . 96 VAL HG2 . 15652 1 1167 . 1 1 96 96 VAL HG22 H 1 0.893 0.03 . 1 . . . . . 96 VAL HG2 . 15652 1 1168 . 1 1 96 96 VAL HG23 H 1 0.893 0.03 . 1 . . . . . 96 VAL HG2 . 15652 1 1169 . 1 1 96 96 VAL C C 13 175.216 0.3 . 1 . . . . . 96 VAL C . 15652 1 1170 . 1 1 96 96 VAL CA C 13 61.916 0.3 . 1 . . . . . 96 VAL CA . 15652 1 1171 . 1 1 96 96 VAL CB C 13 31.695 0.3 . 1 . . . . . 96 VAL CB . 15652 1 1172 . 1 1 96 96 VAL CG1 C 13 21.877 0.3 . 1 . . . . . 96 VAL CG1 . 15652 1 1173 . 1 1 96 96 VAL CG2 C 13 20.455 0.3 . 1 . . . . . 96 VAL CG2 . 15652 1 1174 . 1 1 97 97 LEU H H 1 8.002 0.03 . 1 . . . . . 97 LEU H . 15652 1 1175 . 1 1 97 97 LEU HA H 1 4.316 0.03 . 1 . . . . . 97 LEU HA . 15652 1 1176 . 1 1 97 97 LEU HB2 H 1 1.605 0.03 . 2 . . . . . 97 LEU HB2 . 15652 1 1177 . 1 1 97 97 LEU HB3 H 1 1.443 0.03 . 2 . . . . . 97 LEU HB3 . 15652 1 1178 . 1 1 97 97 LEU HD11 H 1 0.834 0.03 . 1 . . . . . 97 LEU HD1 . 15652 1 1179 . 1 1 97 97 LEU HD12 H 1 0.834 0.03 . 1 . . . . . 97 LEU HD1 . 15652 1 1180 . 1 1 97 97 LEU HD13 H 1 0.834 0.03 . 1 . . . . . 97 LEU HD1 . 15652 1 1181 . 1 1 97 97 LEU HD21 H 1 0.777 0.03 . 1 . . . . . 97 LEU HD2 . 15652 1 1182 . 1 1 97 97 LEU HD22 H 1 0.777 0.03 . 1 . . . . . 97 LEU HD2 . 15652 1 1183 . 1 1 97 97 LEU HD23 H 1 0.777 0.03 . 1 . . . . . 97 LEU HD2 . 15652 1 1184 . 1 1 97 97 LEU HG H 1 1.564 0.03 . 1 . . . . . 97 LEU HG . 15652 1 1185 . 1 1 97 97 LEU C C 13 176.168 0.3 . 1 . . . . . 97 LEU C . 15652 1 1186 . 1 1 97 97 LEU CA C 13 54.770 0.3 . 1 . . . . . 97 LEU CA . 15652 1 1187 . 1 1 97 97 LEU CB C 13 42.558 0.3 . 1 . . . . . 97 LEU CB . 15652 1 1188 . 1 1 97 97 LEU CD1 C 13 25.775 0.3 . 1 . . . . . 97 LEU CD1 . 15652 1 1189 . 1 1 97 97 LEU CD2 C 13 23.243 0.3 . 1 . . . . . 97 LEU CD2 . 15652 1 1190 . 1 1 97 97 LEU CG C 13 26.427 0.3 . 1 . . . . . 97 LEU CG . 15652 1 1191 . 1 1 97 97 LEU N N 15 124.364 0.3 . 1 . . . . . 97 LEU N . 15652 1 1192 . 1 1 98 98 GLU H H 1 8.345 0.03 . 1 . . . . . 98 GLU H . 15652 1 1193 . 1 1 98 98 GLU HA H 1 4.301 0.03 . 1 . . . . . 98 GLU HA . 15652 1 1194 . 1 1 98 98 GLU HB2 H 1 1.963 0.03 . 2 . . . . . 98 GLU HB2 . 15652 1 1195 . 1 1 98 98 GLU HB3 H 1 1.853 0.03 . 2 . . . . . 98 GLU HB3 . 15652 1 1196 . 1 1 98 98 GLU HG2 H 1 2.188 0.03 . 2 . . . . . 98 GLU HG2 . 15652 1 1197 . 1 1 98 98 GLU HG3 H 1 2.188 0.03 . 2 . . . . . 98 GLU HG3 . 15652 1 1198 . 1 1 98 98 GLU C C 13 175.732 0.3 . 1 . . . . . 98 GLU C . 15652 1 1199 . 1 1 98 98 GLU CA C 13 55.988 0.3 . 1 . . . . . 98 GLU CA . 15652 1 1200 . 1 1 98 98 GLU CB C 13 30.989 0.3 . 1 . . . . . 98 GLU CB . 15652 1 1201 . 1 1 98 98 GLU CG C 13 36.236 0.3 . 1 . . . . . 98 GLU CG . 15652 1 1202 . 1 1 98 98 GLU N N 15 119.454 0.3 . 1 . . . . . 98 GLU N . 15652 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 15652 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY (aliph)' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'peak intensity' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 'All H' . . 15 . . . . . . . 15652 1 2 . . C 13 'All C' . . 150 . . . . . . . 15652 1 3 . . H 1 'ali+aro H' . . 20 . . . . . . . 15652 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 8 $SPARKY . . 15652 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 460387.0 . height 15652 1 2 32649.0 . height 15652 1 3 55773.0 . height 15652 1 4 54742.0 . height 15652 1 5 42570.0 . height 15652 1 6 1010817.0 . height 15652 1 7 310148.0 . height 15652 1 8 81509.0 . height 15652 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 6.862 . . . . . . . . . . . . . 15652 1 1 2 16.017 . . . . . . . . . . . . . 15652 1 1 3 1.721 . . . . . . . . . . . . . 15652 1 2 1 6.953 . . . . . . . . . . . . . 15652 1 2 2 34.025 . . . . . . . . . . . . . 15652 1 2 3 1.914 . . . . . . . . . . . . . 15652 1 3 1 6.953 . . . . . . . . . . . . . 15652 1 3 2 34.025 . . . . . . . . . . . . . 15652 1 3 3 2.108 . . . . . . . . . . . . . 15652 1 4 1 3.768 . . . . . . . . . . . . . 15652 1 4 2 30.37 . . . . . . . . . . . . . 15652 1 4 3 2.212 . . . . . . . . . . . . . 15652 1 5 1 3.768 . . . . . . . . . . . . . 15652 1 5 2 30.37 . . . . . . . . . . . . . 15652 1 5 3 2.559 . . . . . . . . . . . . . 15652 1 6 1 2.601 . . . . . . . . . . . . . 15652 1 6 2 54.36 . . . . . . . . . . . . . 15652 1 6 3 2.599 . . . . . . . . . . . . . 15652 1 7 1 7.128 . . . . . . . . . . . . . 15652 1 7 2 124.876 . . . . . . . . . . . . . 15652 1 7 3 7.131 . . . . . . . . . . . . . 15652 1 8 1 10.266 . . . . . . . . . . . . . 15652 1 8 2 124.84 . . . . . . . . . . . . . 15652 1 8 3 7.126 . . . . . . . . . . . . . 15652 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 6.862 . . . . . . . . . . . . . 78 PHE HZ . . 1 . . 15652 1 1 2 . . . 16.017 . . . . . . . . . . . . . 27 MET CE . . 1 . . 15652 1 1 3 . . . 1.721 . . . . . . . . . . . . . 27 MET HE . . 1 . . 15652 1 2 1 . . . 6.953 . . . . . . . . . . . . . 31 TYR HE2 . . 1 . . 15652 1 2 2 . . . 34.025 . . . . . . . . . . . . . 27 MET CB . . 1 . . 15652 1 2 3 . . . 1.914 . . . . . . . . . . . . . 27 MET HB3 . . 1 . . 15652 1 3 1 . . . 6.953 . . . . . . . . . . . . . 31 TYR HE1 . . 1 . . 15652 1 3 2 . . . 34.025 . . . . . . . . . . . . . 27 MET CB . . 1 . . 15652 1 3 3 . . . 2.108 . . . . . . . . . . . . . 27 MET HB2 . . 1 . . 15652 1 4 1 . . . 3.768 . . . . . . . . . . . . . 24 MET HA . . 1 . . 15652 1 4 2 . . . 30.37 . . . . . . . . . . . . . 27 MET CG . . 1 . . 15652 1 4 3 . . . 2.212 . . . . . . . . . . . . . 27 MET HG3 . . 1 . . 15652 1 5 1 . . . 3.768 . . . . . . . . . . . . . 24 MET HA . . 1 . . 15652 1 5 2 . . . 30.37 . . . . . . . . . . . . . 27 MET CG . . 1 . . 15652 1 5 3 . . . 2.559 . . . . . . . . . . . . . 27 MET HG2 . . 1 . . 15652 1 6 1 . . . 2.601 . . . . . . . . . . . . . 20 ALA HA . . 1 . . 15652 1 6 2 . . . 54.36 . . . . . . . . . . . . . 20 ALA CA . . 1 . . 15652 1 6 3 . . . 2.599 . . . . . . . . . . . . . 20 ALA HA . . 1 . . 15652 1 7 1 . . . 7.128 . . . . . . . . . . . . . 79 TRP HD1 . . 1 . . 15652 1 7 2 . . . 124.876 . . . . . . . . . . . . . 79 TRP CD1 . . 1 . . 15652 1 7 3 . . . 7.131 . . . . . . . . . . . . . 79 TRP HD1 . . 1 . . 15652 1 8 1 . . . 10.266 . . . . . . . . . . . . . 79 TRP HE1 . . 1 . . 15652 1 8 2 . . . 124.84 . . . . . . . . . . . . . 79 TRP CD1 . . 1 . . 15652 1 8 3 . . . 7.126 . . . . . . . . . . . . . 79 TRP HD1 . . 1 . . 15652 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 15652 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'peak intensity' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 'All H' . . 15 . . . . . . . 15652 2 2 . . N 15 'All N' . . 35 . . . . . . . 15652 2 3 . . H 1 HN . . 20 . . . . . . . 15652 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 8 $SPARKY . . 15652 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 3783853.0 . height 15652 2 2 710277.0 . height 15652 2 3 678578.0 . height 15652 2 4 1820829.0 . height 15652 2 5 736837.0 . height 15652 2 6 596046.0 . height 15652 2 7 3279329.0 . height 15652 2 8 392590.0 . height 15652 2 9 668927.0 . height 15652 2 10 4095966.0 . height 15652 2 11 488311.0 . height 15652 2 12 277435.0 . height 15652 2 13 3495824.0 . height 15652 2 14 269497.0 . height 15652 2 15 3379904.0 . height 15652 2 16 350674.0 . height 15652 2 17 4575448.0 . height 15652 2 18 382314.0 . height 15652 2 19 74214.0 . height 15652 2 20 598734.0 . height 15652 2 21 3655450.0 . height 15652 2 22 2591903.0 . height 15652 2 23 477231.0 . height 15652 2 24 635624.0 . height 15652 2 25 4572737.0 . height 15652 2 26 6983084.0 . height 15652 2 27 353738.0 . height 15652 2 28 148637.0 . height 15652 2 29 3535479.0 . height 15652 2 30 388029.0 . height 15652 2 31 4795443.0 . height 15652 2 32 166351.0 . height 15652 2 33 2156280.0 . height 15652 2 34 375540.0 . height 15652 2 35 3650294.0 . height 15652 2 36 2992876.0 . height 15652 2 37 638833.0 . height 15652 2 38 8086112.0 . height 15652 2 39 522581.0 . height 15652 2 40 2419035.0 . height 15652 2 41 7135642.0 . height 15652 2 42 1494656.0 . height 15652 2 43 494308.0 . height 15652 2 44 3562250.0 . height 15652 2 45 351953.0 . height 15652 2 46 6007987.0 . height 15652 2 47 3857770.0 . height 15652 2 48 52319.0 . height 15652 2 49 428262.0 . height 15652 2 50 3541393.0 . height 15652 2 51 356100.0 . height 15652 2 52 375476.0 . height 15652 2 53 1537319.0 . height 15652 2 54 277264.0 . height 15652 2 55 2172258.0 . height 15652 2 56 9195921.0 . height 15652 2 57 452336.0 . height 15652 2 58 2444146.0 . height 15652 2 59 510823.0 . height 15652 2 60 3936317.0 . height 15652 2 61 336537.0 . height 15652 2 62 622796.0 . height 15652 2 63 3381452.0 . height 15652 2 64 42117.0 . height 15652 2 65 6542089.0 . height 15652 2 66 2321888.0 . height 15652 2 67 395817.0 . height 15652 2 68 338275.0 . height 15652 2 69 2770460.0 . height 15652 2 70 303020.0 . height 15652 2 71 106582.0 . height 15652 2 72 854619.0 . height 15652 2 73 132903.0 . height 15652 2 74 4632598.0 . height 15652 2 75 6672474.0 . height 15652 2 76 2576518.0 . height 15652 2 77 397989.0 . height 15652 2 78 90264.0 . height 15652 2 79 293209.0 . height 15652 2 80 4891736.0 . height 15652 2 81 3651474.0 . height 15652 2 82 4838000.0 . height 15652 2 83 3651474.0 . height 15652 2 84 3695050.0 . height 15652 2 85 265148.0 . height 15652 2 86 50527.0 . height 15652 2 87 171908.0 . height 15652 2 88 449588.0 . height 15652 2 89 3294951.0 . height 15652 2 90 319013.0 . height 15652 2 91 145652.0 . height 15652 2 92 2054912.0 . height 15652 2 93 2082675.0 . height 15652 2 94 2414934.0 . height 15652 2 95 77192.0 . height 15652 2 96 3120192.0 . height 15652 2 97 5315877.0 . height 15652 2 98 89919.0 . height 15652 2 99 96437.0 . height 15652 2 100 2140131.0 . height 15652 2 101 22718.0 . height 15652 2 102 4209357.0 . height 15652 2 103 662884.0 . height 15652 2 104 798809.0 . height 15652 2 105 324866.0 . height 15652 2 106 1408568.0 . height 15652 2 107 763583.0 . height 15652 2 108 88085.0 . height 15652 2 109 649392.0 . height 15652 2 110 638890.0 . height 15652 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 6.896 . . . . . . . . . . . . . 15652 2 1 2 117.91 . . . . . . . . . . . . . 15652 2 1 3 6.896 . . . . . . . . . . . . . 15652 2 2 1 6.896 . . . . . . . . . . . . . 15652 2 2 2 118.47 . . . . . . . . . . . . . 15652 2 2 3 8.56 . . . . . . . . . . . . . 15652 2 3 1 6.897 . . . . . . . . . . . . . 15652 2 3 2 123.597 . . . . . . . . . . . . . 15652 2 3 3 8.311 . . . . . . . . . . . . . 15652 2 4 1 7.124 . . . . . . . . . . . . . 15652 2 4 2 124.69 . . . . . . . . . . . . . 15652 2 4 3 7.124 . . . . . . . . . . . . . 15652 2 5 1 7.124 . . . . . . . . . . . . . 15652 2 5 2 117.04 . . . . . . . . . . . . . 15652 2 5 3 7.454 . . . . . . . . . . . . . 15652 2 6 1 7.126 . . . . . . . . . . . . . 15652 2 6 2 116.92 . . . . . . . . . . . . . 15652 2 6 3 7.869 . . . . . . . . . . . . . 15652 2 7 1 7.234 . . . . . . . . . . . . . 15652 2 7 2 119.633 . . . . . . . . . . . . . 15652 2 7 3 7.231 . . . . . . . . . . . . . 15652 2 8 1 7.335 . . . . . . . . . . . . . 15652 2 8 2 119.36 . . . . . . . . . . . . . 15652 2 8 3 8.305 . . . . . . . . . . . . . 15652 2 9 1 7.335 . . . . . . . . . . . . . 15652 2 9 2 123.566 . . . . . . . . . . . . . 15652 2 9 3 7.948 . . . . . . . . . . . . . 15652 2 10 1 7.418 . . . . . . . . . . . . . 15652 2 10 2 115.615 . . . . . . . . . . . . . 15652 2 10 3 7.419 . . . . . . . . . . . . . 15652 2 11 1 7.42 . . . . . . . . . . . . . 15652 2 11 2 115.728 . . . . . . . . . . . . . 15652 2 11 3 7.788 . . . . . . . . . . . . . 15652 2 12 1 7.423 . . . . . . . . . . . . . 15652 2 12 2 119.83 . . . . . . . . . . . . . 15652 2 12 3 8.73 . . . . . . . . . . . . . 15652 2 13 1 7.429 . . . . . . . . . . . . . 15652 2 13 2 117.577 . . . . . . . . . . . . . 15652 2 13 3 7.43 . . . . . . . . . . . . . 15652 2 14 1 7.429 . . . . . . . . . . . . . 15652 2 14 2 111.638 . . . . . . . . . . . . . 15652 2 14 3 8.427 . . . . . . . . . . . . . 15652 2 15 1 7.454 . . . . . . . . . . . . . 15652 2 15 2 117.04 . . . . . . . . . . . . . 15652 2 15 3 7.454 . . . . . . . . . . . . . 15652 2 16 1 7.454 . . . . . . . . . . . . . 15652 2 16 2 124.69 . . . . . . . . . . . . . 15652 2 16 3 7.124 . . . . . . . . . . . . . 15652 2 17 1 7.533 . . . . . . . . . . . . . 15652 2 17 2 111.45 . . . . . . . . . . . . . 15652 2 17 3 7.533 . . . . . . . . . . . . . 15652 2 18 1 7.533 . . . . . . . . . . . . . 15652 2 18 2 108.24 . . . . . . . . . . . . . 15652 2 18 3 8.532 . . . . . . . . . . . . . 15652 2 19 1 7.536 . . . . . . . . . . . . . 15652 2 19 2 117.544 . . . . . . . . . . . . . 15652 2 19 3 8.581 . . . . . . . . . . . . . 15652 2 20 1 7.544 . . . . . . . . . . . . . 15652 2 20 2 121.23 . . . . . . . . . . . . . 15652 2 20 3 7.974 . . . . . . . . . . . . . 15652 2 21 1 7.545 . . . . . . . . . . . . . 15652 2 21 2 119.064 . . . . . . . . . . . . . 15652 2 21 3 7.542 . . . . . . . . . . . . . 15652 2 22 1 7.597 . . . . . . . . . . . . . 15652 2 22 2 118.37 . . . . . . . . . . . . . 15652 2 22 3 7.597 . . . . . . . . . . . . . 15652 2 23 1 7.597 . . . . . . . . . . . . . 15652 2 23 2 121.91 . . . . . . . . . . . . . 15652 2 23 3 8.131 . . . . . . . . . . . . . 15652 2 24 1 7.606 . . . . . . . . . . . . . 15652 2 24 2 121.057 . . . . . . . . . . . . . 15652 2 24 3 8.018 . . . . . . . . . . . . . 15652 2 25 1 7.609 . . . . . . . . . . . . . 15652 2 25 2 124.125 . . . . . . . . . . . . . 15652 2 25 3 7.611 . . . . . . . . . . . . . 15652 2 26 1 7.733 . . . . . . . . . . . . . 15652 2 26 2 122.25 . . . . . . . . . . . . . 15652 2 26 3 7.733 . . . . . . . . . . . . . 15652 2 27 1 7.733 . . . . . . . . . . . . . 15652 2 27 2 110.62 . . . . . . . . . . . . . 15652 2 27 3 8.406 . . . . . . . . . . . . . 15652 2 28 1 7.759 . . . . . . . . . . . . . 15652 2 28 2 126.1 . . . . . . . . . . . . . 15652 2 28 3 9.395 . . . . . . . . . . . . . 15652 2 29 1 7.786 . . . . . . . . . . . . . 15652 2 29 2 115.738 . . . . . . . . . . . . . 15652 2 29 3 7.788 . . . . . . . . . . . . . 15652 2 30 1 7.787 . . . . . . . . . . . . . 15652 2 30 2 115.606 . . . . . . . . . . . . . 15652 2 30 3 7.419 . . . . . . . . . . . . . 15652 2 31 1 7.837 . . . . . . . . . . . . . 15652 2 31 2 110.25 . . . . . . . . . . . . . 15652 2 31 3 7.837 . . . . . . . . . . . . . 15652 2 32 1 7.838 . . . . . . . . . . . . . 15652 2 32 2 122.785 . . . . . . . . . . . . . 15652 2 32 3 8.644 . . . . . . . . . . . . . 15652 2 33 1 7.874 . . . . . . . . . . . . . 15652 2 33 2 121.23 . . . . . . . . . . . . . 15652 2 33 3 7.974 . . . . . . . . . . . . . 15652 2 34 1 7.874 . . . . . . . . . . . . . 15652 2 34 2 124.69 . . . . . . . . . . . . . 15652 2 34 3 7.124 . . . . . . . . . . . . . 15652 2 35 1 7.877 . . . . . . . . . . . . . 15652 2 35 2 116.924 . . . . . . . . . . . . . 15652 2 35 3 7.87 . . . . . . . . . . . . . 15652 2 36 1 7.906 . . . . . . . . . . . . . 15652 2 36 2 117.62 . . . . . . . . . . . . . 15652 2 36 3 7.907 . . . . . . . . . . . . . 15652 2 37 1 7.934 . . . . . . . . . . . . . 15652 2 37 2 117.635 . . . . . . . . . . . . . 15652 2 37 3 7.429 . . . . . . . . . . . . . 15652 2 38 1 7.95 . . . . . . . . . . . . . 15652 2 38 2 123.58 . . . . . . . . . . . . . 15652 2 38 3 7.95 . . . . . . . . . . . . . 15652 2 39 1 7.95 . . . . . . . . . . . . . 15652 2 39 2 109.58 . . . . . . . . . . . . . 15652 2 39 3 9.364 . . . . . . . . . . . . . 15652 2 40 1 7.96 . . . . . . . . . . . . . 15652 2 40 2 126.548 . . . . . . . . . . . . . 15652 2 40 3 7.961 . . . . . . . . . . . . . 15652 2 41 1 7.97 . . . . . . . . . . . . . 15652 2 41 2 121.246 . . . . . . . . . . . . . 15652 2 41 3 7.971 . . . . . . . . . . . . . 15652 2 42 1 7.974 . . . . . . . . . . . . . 15652 2 42 2 116.91 . . . . . . . . . . . . . 15652 2 42 3 7.874 . . . . . . . . . . . . . 15652 2 43 1 7.974 . . . . . . . . . . . . . 15652 2 43 2 119.05 . . . . . . . . . . . . . 15652 2 43 3 7.544 . . . . . . . . . . . . . 15652 2 44 1 7.985 . . . . . . . . . . . . . 15652 2 44 2 119.39 . . . . . . . . . . . . . 15652 2 44 3 7.985 . . . . . . . . . . . . . 15652 2 45 1 7.985 . . . . . . . . . . . . . 15652 2 45 2 121.91 . . . . . . . . . . . . . 15652 2 45 3 8.131 . . . . . . . . . . . . . 15652 2 46 1 8.019 . . . . . . . . . . . . . 15652 2 46 2 121.04 . . . . . . . . . . . . . 15652 2 46 3 8.019 . . . . . . . . . . . . . 15652 2 47 1 8.088 . . . . . . . . . . . . . 15652 2 47 2 114.16 . . . . . . . . . . . . . 15652 2 47 3 8.088 . . . . . . . . . . . . . 15652 2 48 1 8.088 . . . . . . . . . . . . . 15652 2 48 2 114.78 . . . . . . . . . . . . . 15652 2 48 3 9.062 . . . . . . . . . . . . . 15652 2 49 1 8.088 . . . . . . . . . . . . . 15652 2 49 2 129.79 . . . . . . . . . . . . . 15652 2 49 3 9.522 . . . . . . . . . . . . . 15652 2 50 1 8.131 . . . . . . . . . . . . . 15652 2 50 2 121.91 . . . . . . . . . . . . . 15652 2 50 3 8.131 . . . . . . . . . . . . . 15652 2 51 1 8.131 . . . . . . . . . . . . . 15652 2 51 2 119.39 . . . . . . . . . . . . . 15652 2 51 3 7.985 . . . . . . . . . . . . . 15652 2 52 1 8.131 . . . . . . . . . . . . . 15652 2 52 2 118.37 . . . . . . . . . . . . . 15652 2 52 3 7.597 . . . . . . . . . . . . . 15652 2 53 1 8.162 . . . . . . . . . . . . . 15652 2 53 2 125.068 . . . . . . . . . . . . . 15652 2 53 3 8.157 . . . . . . . . . . . . . 15652 2 54 1 8.178 . . . . . . . . . . . . . 15652 2 54 2 119.063 . . . . . . . . . . . . . 15652 2 54 3 8.403 . . . . . . . . . . . . . 15652 2 55 1 8.183 . . . . . . . . . . . . . 15652 2 55 2 120.77 . . . . . . . . . . . . . 15652 2 55 3 8.183 . . . . . . . . . . . . . 15652 2 56 1 8.192 . . . . . . . . . . . . . 15652 2 56 2 120.25 . . . . . . . . . . . . . 15652 2 56 3 8.192 . . . . . . . . . . . . . 15652 2 57 1 8.196 . . . . . . . . . . . . . 15652 2 57 2 112.284 . . . . . . . . . . . . . 15652 2 57 3 7.578 . . . . . . . . . . . . . 15652 2 58 1 8.305 . . . . . . . . . . . . . 15652 2 58 2 119.36 . . . . . . . . . . . . . 15652 2 58 3 8.305 . . . . . . . . . . . . . 15652 2 59 1 8.305 . . . . . . . . . . . . . 15652 2 59 2 118.47 . . . . . . . . . . . . . 15652 2 59 3 8.56 . . . . . . . . . . . . . 15652 2 60 1 8.31 . . . . . . . . . . . . . 15652 2 60 2 123.584 . . . . . . . . . . . . . 15652 2 60 3 8.311 . . . . . . . . . . . . . 15652 2 61 1 8.315 . . . . . . . . . . . . . 15652 2 61 2 119.83 . . . . . . . . . . . . . 15652 2 61 3 8.73 . . . . . . . . . . . . . 15652 2 62 1 8.315 . . . . . . . . . . . . . 15652 2 62 2 117.91 . . . . . . . . . . . . . 15652 2 62 3 6.896 . . . . . . . . . . . . . 15652 2 63 1 8.342 . . . . . . . . . . . . . 15652 2 63 2 122.93 . . . . . . . . . . . . . 15652 2 63 3 8.342 . . . . . . . . . . . . . 15652 2 64 1 8.342 . . . . . . . . . . . . . 15652 2 64 2 123.15 . . . . . . . . . . . . . 15652 2 64 3 9.118 . . . . . . . . . . . . . 15652 2 65 1 8.406 . . . . . . . . . . . . . 15652 2 65 2 110.62 . . . . . . . . . . . . . 15652 2 65 3 8.406 . . . . . . . . . . . . . 15652 2 66 1 8.408 . . . . . . . . . . . . . 15652 2 66 2 119.05 . . . . . . . . . . . . . 15652 2 66 3 8.408 . . . . . . . . . . . . . 15652 2 67 1 8.408 . . . . . . . . . . . . . 15652 2 67 2 106.1 . . . . . . . . . . . . . 15652 2 67 3 7.36 . . . . . . . . . . . . . 15652 2 68 1 8.408 . . . . . . . . . . . . . 15652 2 68 2 122.265 . . . . . . . . . . . . . 15652 2 68 3 7.732 . . . . . . . . . . . . . 15652 2 69 1 8.426 . . . . . . . . . . . . . 15652 2 69 2 111.644 . . . . . . . . . . . . . 15652 2 69 3 8.426 . . . . . . . . . . . . . 15652 2 70 1 8.426 . . . . . . . . . . . . . 15652 2 70 2 117.633 . . . . . . . . . . . . . 15652 2 70 3 7.43 . . . . . . . . . . . . . 15652 2 71 1 8.429 . . . . . . . . . . . . . 15652 2 71 2 121.84 . . . . . . . . . . . . . 15652 2 71 3 8.98 . . . . . . . . . . . . . 15652 2 72 1 8.485 . . . . . . . . . . . . . 15652 2 72 2 127.852 . . . . . . . . . . . . . 15652 2 72 3 8.49 . . . . . . . . . . . . . 15652 2 73 1 8.49 . . . . . . . . . . . . . 15652 2 73 2 121.84 . . . . . . . . . . . . . 15652 2 73 3 8.977 . . . . . . . . . . . . . 15652 2 74 1 8.518 . . . . . . . . . . . . . 15652 2 74 2 126.906 . . . . . . . . . . . . . 15652 2 74 3 8.512 . . . . . . . . . . . . . 15652 2 75 1 8.524 . . . . . . . . . . . . . 15652 2 75 2 122.206 . . . . . . . . . . . . . 15652 2 75 3 8.519 . . . . . . . . . . . . . 15652 2 76 1 8.532 . . . . . . . . . . . . . 15652 2 76 2 108.24 . . . . . . . . . . . . . 15652 2 76 3 8.532 . . . . . . . . . . . . . 15652 2 77 1 8.532 . . . . . . . . . . . . . 15652 2 77 2 111.45 . . . . . . . . . . . . . 15652 2 77 3 7.533 . . . . . . . . . . . . . 15652 2 78 1 8.532 . . . . . . . . . . . . . 15652 2 78 2 117.86 . . . . . . . . . . . . . 15652 2 78 3 8.773 . . . . . . . . . . . . . 15652 2 79 1 8.56 . . . . . . . . . . . . . 15652 2 79 2 119.36 . . . . . . . . . . . . . 15652 2 79 3 8.305 . . . . . . . . . . . . . 15652 2 80 1 8.57 . . . . . . . . . . . . . 15652 2 80 2 128.45 . . . . . . . . . . . . . 15652 2 80 3 8.57 . . . . . . . . . . . . . 15652 2 81 1 8.57 . . . . . . . . . . . . . 15652 2 81 2 123.99 . . . . . . . . . . . . . 15652 2 81 3 8.589 . . . . . . . . . . . . . 15652 2 82 1 8.579 . . . . . . . . . . . . . 15652 2 82 2 120.42 . . . . . . . . . . . . . 15652 2 82 3 8.579 . . . . . . . . . . . . . 15652 2 83 1 8.589 . . . . . . . . . . . . . 15652 2 83 2 123.99 . . . . . . . . . . . . . 15652 2 83 3 8.589 . . . . . . . . . . . . . 15652 2 84 1 8.589 . . . . . . . . . . . . . 15652 2 84 2 117.48 . . . . . . . . . . . . . 15652 2 84 3 8.589 . . . . . . . . . . . . . 15652 2 85 1 8.589 . . . . . . . . . . . . . 15652 2 85 2 111.45 . . . . . . . . . . . . . 15652 2 85 3 7.533 . . . . . . . . . . . . . 15652 2 86 1 8.647 . . . . . . . . . . . . . 15652 2 86 2 129.79 . . . . . . . . . . . . . 15652 2 86 3 9.522 . . . . . . . . . . . . . 15652 2 87 1 8.647 . . . . . . . . . . . . . 15652 2 87 2 110.25 . . . . . . . . . . . . . 15652 2 87 3 7.837 . . . . . . . . . . . . . 15652 2 88 1 8.72 . . . . . . . . . . . . . 15652 2 88 2 123.589 . . . . . . . . . . . . . 15652 2 88 3 8.311 . . . . . . . . . . . . . 15652 2 89 1 8.722 . . . . . . . . . . . . . 15652 2 89 2 119.834 . . . . . . . . . . . . . 15652 2 89 3 8.725 . . . . . . . . . . . . . 15652 2 90 1 8.723 . . . . . . . . . . . . . 15652 2 90 2 115.577 . . . . . . . . . . . . . 15652 2 90 3 7.42 . . . . . . . . . . . . . 15652 2 91 1 8.773 . . . . . . . . . . . . . 15652 2 91 2 108.24 . . . . . . . . . . . . . 15652 2 91 3 8.532 . . . . . . . . . . . . . 15652 2 92 1 8.775 . . . . . . . . . . . . . 15652 2 92 2 118.673 . . . . . . . . . . . . . 15652 2 92 3 8.777 . . . . . . . . . . . . . 15652 2 93 1 8.853 . . . . . . . . . . . . . 15652 2 93 2 122.757 . . . . . . . . . . . . . 15652 2 93 3 8.853 . . . . . . . . . . . . . 15652 2 94 1 8.896 . . . . . . . . . . . . . 15652 2 94 2 123.587 . . . . . . . . . . . . . 15652 2 94 3 8.898 . . . . . . . . . . . . . 15652 2 95 1 8.98 . . . . . . . . . . . . . 15652 2 95 2 111.641 . . . . . . . . . . . . . 15652 2 95 3 8.423 . . . . . . . . . . . . . 15652 2 96 1 8.983 . . . . . . . . . . . . . 15652 2 96 2 121.861 . . . . . . . . . . . . . 15652 2 96 3 8.98 . . . . . . . . . . . . . 15652 2 97 1 9.061 . . . . . . . . . . . . . 15652 2 97 2 114.715 . . . . . . . . . . . . . 15652 2 97 3 9.06 . . . . . . . . . . . . . 15652 2 98 1 9.062 . . . . . . . . . . . . . 15652 2 98 2 114.16 . . . . . . . . . . . . . 15652 2 98 3 8.088 . . . . . . . . . . . . . 15652 2 99 1 9.117 . . . . . . . . . . . . . 15652 2 99 2 122.952 . . . . . . . . . . . . . 15652 2 99 3 8.336 . . . . . . . . . . . . . 15652 2 100 1 9.118 . . . . . . . . . . . . . 15652 2 100 2 123.15 . . . . . . . . . . . . . 15652 2 100 3 9.118 . . . . . . . . . . . . . 15652 2 101 1 9.304 . . . . . . . . . . . . . 15652 2 101 2 125.23 . . . . . . . . . . . . . 15652 2 101 3 9.304 . . . . . . . . . . . . . 15652 2 102 1 9.322 . . . . . . . . . . . . . 15652 2 102 2 122.087 . . . . . . . . . . . . . 15652 2 102 3 9.325 . . . . . . . . . . . . . 15652 2 103 1 9.363 . . . . . . . . . . . . . 15652 2 103 2 123.572 . . . . . . . . . . . . . 15652 2 103 3 7.947 . . . . . . . . . . . . . 15652 2 104 1 9.395 . . . . . . . . . . . . . 15652 2 104 2 126.1 . . . . . . . . . . . . . 15652 2 104 3 9.395 . . . . . . . . . . . . . 15652 2 105 1 9.395 . . . . . . . . . . . . . 15652 2 105 2 110.23 . . . . . . . . . . . . . 15652 2 105 3 7.759 . . . . . . . . . . . . . 15652 2 106 1 9.522 . . . . . . . . . . . . . 15652 2 106 2 129.79 . . . . . . . . . . . . . 15652 2 106 3 9.522 . . . . . . . . . . . . . 15652 2 107 1 9.522 . . . . . . . . . . . . . 15652 2 107 2 114.16 . . . . . . . . . . . . . 15652 2 107 3 8.088 . . . . . . . . . . . . . 15652 2 108 1 9.533 . . . . . . . . . . . . . 15652 2 108 2 122.859 . . . . . . . . . . . . . 15652 2 108 3 8.648 . . . . . . . . . . . . . 15652 2 109 1 9.582 . . . . . . . . . . . . . 15652 2 109 2 122.084 . . . . . . . . . . . . . 15652 2 109 3 8.254 . . . . . . . . . . . . . 15652 2 110 1 10.002 . . . . . . . . . . . . . 15652 2 110 2 121.003 . . . . . . . . . . . . . 15652 2 110 3 10.003 . . . . . . . . . . . . . 15652 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 6.896 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2 1 2 . . . 117.91 . . . . . . . . . . . . . 47 GLU N . . 1 . . 15652 2 1 3 . . . 6.896 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2 2 1 . . . 6.896 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2 2 2 . . . 118.47 . . . . . . . . . . . . . 46 VAL N . . 1 . . 15652 2 2 3 . . . 8.56 . . . . . . . . . . . . . 46 VAL H . . 1 . . 15652 2 3 1 . . . 6.897 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2 3 2 . . . 123.597 . . . . . . . . . . . . . 48 ALA N . . 1 . . 15652 2 3 3 . . . 8.311 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2 4 1 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2 4 2 . . . 124.69 . . . . . . . . . . . . . 20 ALA N . . 1 . . 15652 2 4 3 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2 5 1 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2 5 2 . . . 117.04 . . . . . . . . . . . . . 19 ASP N . . 1 . . 15652 2 5 3 . . . 7.454 . . . . . . . . . . . . . 19 ASP H . . 1 . . 15652 2 6 1 . . . 7.126 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2 6 2 . . . 116.92 . . . . . . . . . . . . . 21 LEU N . . 1 . . 15652 2 6 3 . . . 7.869 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2 7 1 . . . 7.234 . . . . . . . . . . . . . 27 MET H . . 1 . . 15652 2 7 2 . . . 119.633 . . . . . . . . . . . . . 27 MET N . . 1 . . 15652 2 7 3 . . . 7.231 . . . . . . . . . . . . . 27 MET H . . 1 . . 15652 2 8 1 . . . 7.335 . . . . . . . . . . . . . 44 PHE H . . 1 . . 15652 2 8 2 . . . 119.36 . . . . . . . . . . . . . 45 LEU N . . 1 . . 15652 2 8 3 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2 9 1 . . . 7.335 . . . . . . . . . . . . . 44 PHE H . . 1 . . 15652 2 9 2 . . . 123.566 . . . . . . . . . . . . . 43 ALA N . . 1 . . 15652 2 9 3 . . . 7.948 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2 10 1 . . . 7.418 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2 10 2 . . . 115.615 . . . . . . . . . . . . . 50 LYS N . . 1 . . 15652 2 10 3 . . . 7.419 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2 11 1 . . . 7.42 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2 11 2 . . . 115.728 . . . . . . . . . . . . . 51 ARG N . . 1 . . 15652 2 11 3 . . . 7.788 . . . . . . . . . . . . . 51 ARG H . . 1 . . 15652 2 12 1 . . . 7.423 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2 12 2 . . . 119.83 . . . . . . . . . . . . . 49 LEU N . . 1 . . 15652 2 12 3 . . . 8.73 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2 13 1 . . . 7.429 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2 13 2 . . . 117.577 . . . . . . . . . . . . . 84 ASP N . . 1 . . 15652 2 13 3 . . . 7.43 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2 14 1 . . . 7.429 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2 14 2 . . . 111.638 . . . . . . . . . . . . . 83 THR N . . 1 . . 15652 2 14 3 . . . 8.427 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2 15 1 . . . 7.454 . . . . . . . . . . . . . 19 ASP H . . 1 . . 15652 2 15 2 . . . 117.04 . . . . . . . . . . . . . 19 ASP N . . 1 . . 15652 2 15 3 . . . 7.454 . . . . . . . . . . . . . 19 ASP H . . 1 . . 15652 2 16 1 . . . 7.454 . . . . . . . . . . . . . 19 ASP H . . 1 . . 15652 2 16 2 . . . 124.69 . . . . . . . . . . . . . 20 ALA N . . 1 . . 15652 2 16 3 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2 17 1 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2 17 2 . . . 111.45 . . . . . . . . . . . . . 75 THR N . . 1 . . 15652 2 17 3 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2 18 1 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2 18 2 . . . 108.24 . . . . . . . . . . . . . 74 GLY N . . 1 . . 15652 2 18 3 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2 19 1 . . . 7.536 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2 19 2 . . . 117.544 . . . . . . . . . . . . . 76 GLN N . . 1 . . 15652 2 19 3 . . . 8.581 . . . . . . . . . . . . . 76 GLN H . . 1 . . 15652 2 20 1 . . . 7.544 . . . . . . . . . . . . . 23 PHE H . . 1 . . 15652 2 20 2 . . . 121.23 . . . . . . . . . . . . . 22 ALA N . . 1 . . 15652 2 20 3 . . . 7.974 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2 21 1 . . . 7.545 . . . . . . . . . . . . . 23 PHE H . . 1 . . 15652 2 21 2 . . . 119.064 . . . . . . . . . . . . . 23 PHE N . . 1 . . 15652 2 21 3 . . . 7.542 . . . . . . . . . . . . . 23 PHE H . . 1 . . 15652 2 22 1 . . . 7.597 . . . . . . . . . . . . . 24 MET H . . 1 . . 15652 2 22 2 . . . 118.37 . . . . . . . . . . . . . 24 MET N . . 1 . . 15652 2 22 3 . . . 7.597 . . . . . . . . . . . . . 24 MET H . . 1 . . 15652 2 23 1 . . . 7.597 . . . . . . . . . . . . . 24 MET H . . 1 . . 15652 2 23 2 . . . 121.91 . . . . . . . . . . . . . 25 LYS N . . 1 . . 15652 2 23 3 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2 24 1 . . . 7.606 . . . . . . . . . . . . . 41 ASP H . . 1 . . 15652 2 24 2 . . . 121.057 . . . . . . . . . . . . . 40 VAL N . . 1 . . 15652 2 24 3 . . . 8.018 . . . . . . . . . . . . . 40 VAL H . . 1 . . 15652 2 25 1 . . . 7.609 . . . . . . . . . . . . . 41 ASP H . . 1 . . 15652 2 25 2 . . . 124.125 . . . . . . . . . . . . . 41 ASP N . . 1 . . 15652 2 25 3 . . . 7.611 . . . . . . . . . . . . . 41 ASP H . . 1 . . 15652 2 26 1 . . . 7.733 . . . . . . . . . . . . . 55 ALA H . . 1 . . 15652 2 26 2 . . . 122.25 . . . . . . . . . . . . . 55 ALA N . . 1 . . 15652 2 26 3 . . . 7.733 . . . . . . . . . . . . . 55 ALA H . . 1 . . 15652 2 27 1 . . . 7.733 . . . . . . . . . . . . . 55 ALA H . . 1 . . 15652 2 27 2 . . . 110.62 . . . . . . . . . . . . . 56 THR N . . 1 . . 15652 2 27 3 . . . 8.406 . . . . . . . . . . . . . 56 THR H . . 1 . . 15652 2 28 1 . . . 7.759 . . . . . . . . . . . . . 16 ARG H . . 1 . . 15652 2 28 2 . . . 126.1 . . . . . . . . . . . . . 15 ALA N . . 1 . . 15652 2 28 3 . . . 9.395 . . . . . . . . . . . . . 15 ALA H . . 1 . . 15652 2 29 1 . . . 7.786 . . . . . . . . . . . . . 51 ARG H . . 1 . . 15652 2 29 2 . . . 115.738 . . . . . . . . . . . . . 51 ARG N . . 1 . . 15652 2 29 3 . . . 7.788 . . . . . . . . . . . . . 51 ARG H . . 1 . . 15652 2 30 1 . . . 7.787 . . . . . . . . . . . . . 51 ARG H . . 1 . . 15652 2 30 2 . . . 115.606 . . . . . . . . . . . . . 50 LYS N . . 1 . . 15652 2 30 3 . . . 7.419 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2 31 1 . . . 7.837 . . . . . . . . . . . . . 62 GLY H . . 1 . . 15652 2 31 2 . . . 110.25 . . . . . . . . . . . . . 62 GLY N . . 1 . . 15652 2 31 3 . . . 7.837 . . . . . . . . . . . . . 62 GLY H . . 1 . . 15652 2 32 1 . . . 7.838 . . . . . . . . . . . . . 62 GLY H . . 1 . . 15652 2 32 2 . . . 122.785 . . . . . . . . . . . . . 63 VAL N . . 1 . . 15652 2 32 3 . . . 8.644 . . . . . . . . . . . . . 63 VAL H . . 1 . . 15652 2 33 1 . . . 7.874 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2 33 2 . . . 121.23 . . . . . . . . . . . . . 22 ALA N . . 1 . . 15652 2 33 3 . . . 7.974 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2 34 1 . . . 7.874 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2 34 2 . . . 124.69 . . . . . . . . . . . . . 20 ALA N . . 1 . . 15652 2 34 3 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2 35 1 . . . 7.877 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2 35 2 . . . 116.924 . . . . . . . . . . . . . 21 LEU N . . 1 . . 15652 2 35 3 . . . 7.87 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2 36 1 . . . 7.906 . . . . . . . . . . . . . 57 SER H . . 1 . . 15652 2 36 2 . . . 117.62 . . . . . . . . . . . . . 57 SER N . . 1 . . 15652 2 36 3 . . . 7.907 . . . . . . . . . . . . . 57 SER H . . 1 . . 15652 2 37 1 . . . 7.934 . . . . . . . . . . . . . 85 GLY H . . 1 . . 15652 2 37 2 . . . 117.635 . . . . . . . . . . . . . 84 ASP N . . 1 . . 15652 2 37 3 . . . 7.429 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2 38 1 . . . 7.95 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2 38 2 . . . 123.58 . . . . . . . . . . . . . 43 ALA N . . 1 . . 15652 2 38 3 . . . 7.95 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2 39 1 . . . 7.95 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2 39 2 . . . 109.58 . . . . . . . . . . . . . 42 GLY N . . 1 . . 15652 2 39 3 . . . 9.364 . . . . . . . . . . . . . 42 GLY H . . 1 . . 15652 2 40 1 . . . 7.96 . . . . . . . . . . . . . 37 VAL H . . 1 . . 15652 2 40 2 . . . 126.548 . . . . . . . . . . . . . 37 VAL N . . 1 . . 15652 2 40 3 . . . 7.961 . . . . . . . . . . . . . 37 VAL H . . 1 . . 15652 2 41 1 . . . 7.97 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2 41 2 . . . 121.246 . . . . . . . . . . . . . 22 ALA N . . 1 . . 15652 2 41 3 . . . 7.971 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2 42 1 . . . 7.974 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2 42 2 . . . 116.91 . . . . . . . . . . . . . 21 LEU N . . 1 . . 15652 2 42 3 . . . 7.874 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2 43 1 . . . 7.974 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2 43 2 . . . 119.05 . . . . . . . . . . . . . 23 PHE N . . 1 . . 15652 2 43 3 . . . 7.544 . . . . . . . . . . . . . 23 PHE H . . 1 . . 15652 2 44 1 . . . 7.985 . . . . . . . . . . . . . 26 VAL H . . 1 . . 15652 2 44 2 . . . 119.39 . . . . . . . . . . . . . 26 VAL N . . 1 . . 15652 2 44 3 . . . 7.985 . . . . . . . . . . . . . 26 VAL H . . 1 . . 15652 2 45 1 . . . 7.985 . . . . . . . . . . . . . 26 VAL H . . 1 . . 15652 2 45 2 . . . 121.91 . . . . . . . . . . . . . 25 LYS N . . 1 . . 15652 2 45 3 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2 46 1 . . . 8.019 . . . . . . . . . . . . . 40 VAL H . . 1 . . 15652 2 46 2 . . . 121.04 . . . . . . . . . . . . . 40 VAL N . . 1 . . 15652 2 46 3 . . . 8.019 . . . . . . . . . . . . . 40 VAL H . . 1 . . 15652 2 47 1 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2 47 2 . . . 114.16 . . . . . . . . . . . . . 65 ASN N . . 1 . . 15652 2 47 3 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2 48 1 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2 48 2 . . . 114.78 . . . . . . . . . . . . . 66 PHE N . . 1 . . 15652 2 48 3 . . . 9.062 . . . . . . . . . . . . . 66 PHE H . . 1 . . 15652 2 49 1 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2 49 2 . . . 129.79 . . . . . . . . . . . . . 64 ARG N . . 1 . . 15652 2 49 3 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2 50 1 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2 50 2 . . . 121.91 . . . . . . . . . . . . . 25 LYS N . . 1 . . 15652 2 50 3 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2 51 1 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2 51 2 . . . 119.39 . . . . . . . . . . . . . 26 VAL N . . 1 . . 15652 2 51 3 . . . 7.985 . . . . . . . . . . . . . 26 VAL H . . 1 . . 15652 2 52 1 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2 52 2 . . . 118.37 . . . . . . . . . . . . . 24 MET N . . 1 . . 15652 2 52 3 . . . 7.597 . . . . . . . . . . . . . 24 MET H . . 1 . . 15652 2 53 1 . . . 8.162 . . . . . . . . . . . . . 52 HIS H . . 1 . . 15652 2 53 2 . . . 125.068 . . . . . . . . . . . . . 52 HIS N . . 1 . . 15652 2 53 3 . . . 8.157 . . . . . . . . . . . . . 52 HIS H . . 1 . . 15652 2 54 1 . . . 8.178 . . . . . . . . . . . . . 58 LYS H . . 1 . . 15652 2 54 2 . . . 119.063 . . . . . . . . . . . . . 59 ILE N . . 1 . . 15652 2 54 3 . . . 8.403 . . . . . . . . . . . . . 59 ILE H . . 1 . . 15652 2 55 1 . . . 8.183 . . . . . . . . . . . . . 58 LYS H . . 1 . . 15652 2 55 2 . . . 120.77 . . . . . . . . . . . . . 58 LYS N . . 1 . . 15652 2 55 3 . . . 8.183 . . . . . . . . . . . . . 58 LYS H . . 1 . . 15652 2 56 1 . . . 8.192 . . . . . . . . . . . . . 12 HIS H . . 1 . . 15652 2 56 2 . . . 120.25 . . . . . . . . . . . . . 12 HIS N . . 1 . . 15652 2 56 3 . . . 8.192 . . . . . . . . . . . . . 12 HIS H . . 1 . . 15652 2 57 1 . . . 8.196 . . . . . . . . . . . . . 28 LEU H . . 1 . . 15652 2 57 2 . . . 112.284 . . . . . . . . . . . . . 29 ASN N . . 1 . . 15652 2 57 3 . . . 7.578 . . . . . . . . . . . . . 29 ASN H . . 1 . . 15652 2 58 1 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2 58 2 . . . 119.36 . . . . . . . . . . . . . 45 LEU N . . 1 . . 15652 2 58 3 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2 59 1 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2 59 2 . . . 118.47 . . . . . . . . . . . . . 46 VAL N . . 1 . . 15652 2 59 3 . . . 8.56 . . . . . . . . . . . . . 46 VAL H . . 1 . . 15652 2 60 1 . . . 8.31 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2 60 2 . . . 123.584 . . . . . . . . . . . . . 48 ALA N . . 1 . . 15652 2 60 3 . . . 8.311 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2 61 1 . . . 8.315 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2 61 2 . . . 119.83 . . . . . . . . . . . . . 49 LEU N . . 1 . . 15652 2 61 3 . . . 8.73 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2 62 1 . . . 8.315 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2 62 2 . . . 117.91 . . . . . . . . . . . . . 47 GLU N . . 1 . . 15652 2 62 3 . . . 6.896 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2 63 1 . . . 8.342 . . . . . . . . . . . . . 13 GLU H . . 1 . . 15652 2 63 2 . . . 122.93 . . . . . . . . . . . . . 13 GLU N . . 1 . . 15652 2 63 3 . . . 8.342 . . . . . . . . . . . . . 13 GLU H . . 1 . . 15652 2 64 1 . . . 8.342 . . . . . . . . . . . . . 13 GLU H . . 1 . . 15652 2 64 2 . . . 123.15 . . . . . . . . . . . . . 14 PHE N . . 1 . . 15652 2 64 3 . . . 9.118 . . . . . . . . . . . . . 14 PHE H . . 1 . . 15652 2 65 1 . . . 8.406 . . . . . . . . . . . . . 56 THR H . . 1 . . 15652 2 65 2 . . . 110.62 . . . . . . . . . . . . . 56 THR N . . 1 . . 15652 2 65 3 . . . 8.406 . . . . . . . . . . . . . 56 THR H . . 1 . . 15652 2 66 1 . . . 8.408 . . . . . . . . . . . . . 59 ILE H . . 1 . . 15652 2 66 2 . . . 119.05 . . . . . . . . . . . . . 59 ILE N . . 1 . . 15652 2 66 3 . . . 8.408 . . . . . . . . . . . . . 59 ILE H . . 1 . . 15652 2 67 1 . . . 8.408 . . . . . . . . . . . . . 59 ILE H . . 1 . . 15652 2 67 2 . . . 106.1 . . . . . . . . . . . . . 60 GLY N . . 1 . . 15652 2 67 3 . . . 7.36 . . . . . . . . . . . . . 60 GLY H . . 1 . . 15652 2 68 1 . . . 8.408 . . . . . . . . . . . . . 56 THR H . . 1 . . 15652 2 68 2 . . . 122.265 . . . . . . . . . . . . . 55 ALA N . . 1 . . 15652 2 68 3 . . . 7.732 . . . . . . . . . . . . . 55 ALA H . . 1 . . 15652 2 69 1 . . . 8.426 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2 69 2 . . . 111.644 . . . . . . . . . . . . . 83 THR N . . 1 . . 15652 2 69 3 . . . 8.426 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2 70 1 . . . 8.426 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2 70 2 . . . 117.633 . . . . . . . . . . . . . 84 ASP N . . 1 . . 15652 2 70 3 . . . 7.43 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2 71 1 . . . 8.429 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2 71 2 . . . 121.84 . . . . . . . . . . . . . 82 ARG N . . 1 . . 15652 2 71 3 . . . 8.98 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2 72 1 . . . 8.485 . . . . . . . . . . . . . 81 LEU H . . 1 . . 15652 2 72 2 . . . 127.852 . . . . . . . . . . . . . 81 LEU N . . 1 . . 15652 2 72 3 . . . 8.49 . . . . . . . . . . . . . 81 LEU H . . 1 . . 15652 2 73 1 . . . 8.49 . . . . . . . . . . . . . 81 LEU H . . 1 . . 15652 2 73 2 . . . 121.84 . . . . . . . . . . . . . 82 ARG N . . 1 . . 15652 2 73 3 . . . 8.977 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2 74 1 . . . 8.518 . . . . . . . . . . . . . 4 ALA H . . 1 . . 15652 2 74 2 . . . 126.906 . . . . . . . . . . . . . 4 ALA N . . 1 . . 15652 2 74 3 . . . 8.512 . . . . . . . . . . . . . 4 ALA H . . 1 . . 15652 2 75 1 . . . 8.524 . . . . . . . . . . . . . 5 GLN H . . 1 . . 15652 2 75 2 . . . 122.206 . . . . . . . . . . . . . 5 GLN N . . 1 . . 15652 2 75 3 . . . 8.519 . . . . . . . . . . . . . 5 GLN H . . 1 . . 15652 2 76 1 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2 76 2 . . . 108.24 . . . . . . . . . . . . . 74 GLY N . . 1 . . 15652 2 76 3 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2 77 1 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2 77 2 . . . 111.45 . . . . . . . . . . . . . 75 THR N . . 1 . . 15652 2 77 3 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2 78 1 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2 78 2 . . . 117.86 . . . . . . . . . . . . . 73 TYR N . . 1 . . 15652 2 78 3 . . . 8.773 . . . . . . . . . . . . . 73 TYR H . . 1 . . 15652 2 79 1 . . . 8.56 . . . . . . . . . . . . . 46 VAL H . . 1 . . 15652 2 79 2 . . . 119.36 . . . . . . . . . . . . . 45 LEU N . . 1 . . 15652 2 79 3 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2 80 1 . . . 8.57 . . . . . . . . . . . . . 8 GLU H . . 1 . . 15652 2 80 2 . . . 128.45 . . . . . . . . . . . . . 8 GLU N . . 1 . . 15652 2 80 3 . . . 8.57 . . . . . . . . . . . . . 8 GLU H . . 1 . . 15652 2 81 1 . . . 8.57 . . . . . . . . . . . . . 8 GLU H . . 1 . . 15652 2 81 2 . . . 123.99 . . . . . . . . . . . . . 9 ILE N . . 1 . . 15652 2 81 3 . . . 8.589 . . . . . . . . . . . . . 9 ILE H . . 1 . . 15652 2 82 1 . . . 8.579 . . . . . . . . . . . . . 7 ILE H . . 1 . . 15652 2 82 2 . . . 120.42 . . . . . . . . . . . . . 7 ILE N . . 1 . . 15652 2 82 3 . . . 8.579 . . . . . . . . . . . . . 7 ILE H . . 1 . . 15652 2 83 1 . . . 8.589 . . . . . . . . . . . . . 9 ILE H . . 1 . . 15652 2 83 2 . . . 123.99 . . . . . . . . . . . . . 9 ILE N . . 1 . . 15652 2 83 3 . . . 8.589 . . . . . . . . . . . . . 9 ILE H . . 1 . . 15652 2 84 1 . . . 8.589 . . . . . . . . . . . . . 76 GLN H . . 1 . . 15652 2 84 2 . . . 117.48 . . . . . . . . . . . . . 76 GLN N . . 1 . . 15652 2 84 3 . . . 8.589 . . . . . . . . . . . . . 76 GLN H . . 1 . . 15652 2 85 1 . . . 8.589 . . . . . . . . . . . . . 76 GLN H . . 1 . . 15652 2 85 2 . . . 111.45 . . . . . . . . . . . . . 75 THR N . . 1 . . 15652 2 85 3 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2 86 1 . . . 8.647 . . . . . . . . . . . . . 63 VAL H . . 1 . . 15652 2 86 2 . . . 129.79 . . . . . . . . . . . . . 64 ARG N . . 1 . . 15652 2 86 3 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2 87 1 . . . 8.647 . . . . . . . . . . . . . 63 VAL H . . 1 . . 15652 2 87 2 . . . 110.25 . . . . . . . . . . . . . 62 GLY N . . 1 . . 15652 2 87 3 . . . 7.837 . . . . . . . . . . . . . 62 GLY H . . 1 . . 15652 2 88 1 . . . 8.72 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2 88 2 . . . 123.589 . . . . . . . . . . . . . 48 ALA N . . 1 . . 15652 2 88 3 . . . 8.311 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2 89 1 . . . 8.722 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2 89 2 . . . 119.834 . . . . . . . . . . . . . 49 LEU N . . 1 . . 15652 2 89 3 . . . 8.725 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2 90 1 . . . 8.723 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2 90 2 . . . 115.577 . . . . . . . . . . . . . 50 LYS N . . 1 . . 15652 2 90 3 . . . 7.42 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2 91 1 . . . 8.773 . . . . . . . . . . . . . 73 TYR H . . 1 . . 15652 2 91 2 . . . 108.24 . . . . . . . . . . . . . 74 GLY N . . 1 . . 15652 2 91 3 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2 92 1 . . . 8.775 . . . . . . . . . . . . . 18 ALA H . . 1 . . 15652 2 92 2 . . . 118.673 . . . . . . . . . . . . . 18 ALA N . . 1 . . 15652 2 92 3 . . . 8.777 . . . . . . . . . . . . . 18 ALA H . . 1 . . 15652 2 93 1 . . . 8.853 . . . . . . . . . . . . . 38 SER H . . 1 . . 15652 2 93 2 . . . 122.757 . . . . . . . . . . . . . 38 SER N . . 1 . . 15652 2 93 3 . . . 8.853 . . . . . . . . . . . . . 38 SER H . . 1 . . 15652 2 94 1 . . . 8.896 . . . . . . . . . . . . . 69 ARG H . . 1 . . 15652 2 94 2 . . . 123.587 . . . . . . . . . . . . . 69 ARG N . . 1 . . 15652 2 94 3 . . . 8.898 . . . . . . . . . . . . . 69 ARG H . . 1 . . 15652 2 95 1 . . . 8.98 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2 95 2 . . . 111.641 . . . . . . . . . . . . . 83 THR N . . 1 . . 15652 2 95 3 . . . 8.423 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2 96 1 . . . 8.983 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2 96 2 . . . 121.861 . . . . . . . . . . . . . 82 ARG N . . 1 . . 15652 2 96 3 . . . 8.98 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2 97 1 . . . 9.061 . . . . . . . . . . . . . 66 PHE H . . 1 . . 15652 2 97 2 . . . 114.715 . . . . . . . . . . . . . 66 PHE N . . 1 . . 15652 2 97 3 . . . 9.06 . . . . . . . . . . . . . 66 PHE H . . 1 . . 15652 2 98 1 . . . 9.062 . . . . . . . . . . . . . 66 PHE H . . 1 . . 15652 2 98 2 . . . 114.16 . . . . . . . . . . . . . 65 ASN N . . 1 . . 15652 2 98 3 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2 99 1 . . . 9.117 . . . . . . . . . . . . . 14 PHE H . . 1 . . 15652 2 99 2 . . . 122.952 . . . . . . . . . . . . . 13 GLU N . . 1 . . 15652 2 99 3 . . . 8.336 . . . . . . . . . . . . . 13 GLU H . . 1 . . 15652 2 100 1 . . . 9.118 . . . . . . . . . . . . . 14 PHE H . . 1 . . 15652 2 100 2 . . . 123.15 . . . . . . . . . . . . . 14 PHE N . . 1 . . 15652 2 100 3 . . . 9.118 . . . . . . . . . . . . . 14 PHE H . . 1 . . 15652 2 101 1 . . . 9.304 . . . . . . . . . . . . . 17 LYS H . . 1 . . 15652 2 101 2 . . . 125.23 . . . . . . . . . . . . . 17 LYS N . . 1 . . 15652 2 101 3 . . . 9.304 . . . . . . . . . . . . . 17 LYS H . . 1 . . 15652 2 102 1 . . . 9.322 . . . . . . . . . . . . . 67 GLU H . . 1 . . 15652 2 102 2 . . . 122.087 . . . . . . . . . . . . . 67 GLU N . . 1 . . 15652 2 102 3 . . . 9.325 . . . . . . . . . . . . . 67 GLU H . . 1 . . 15652 2 103 1 . . . 9.363 . . . . . . . . . . . . . 42 GLY H . . 1 . . 15652 2 103 2 . . . 123.572 . . . . . . . . . . . . . 43 ALA N . . 1 . . 15652 2 103 3 . . . 7.947 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2 104 1 . . . 9.395 . . . . . . . . . . . . . 15 ALA H . . 1 . . 15652 2 104 2 . . . 126.1 . . . . . . . . . . . . . 15 ALA N . . 1 . . 15652 2 104 3 . . . 9.395 . . . . . . . . . . . . . 15 ALA H . . 1 . . 15652 2 105 1 . . . 9.395 . . . . . . . . . . . . . 15 ALA H . . 1 . . 15652 2 105 2 . . . 110.23 . . . . . . . . . . . . . 16 ARG N . . 1 . . 15652 2 105 3 . . . 7.759 . . . . . . . . . . . . . 16 ARG H . . 1 . . 15652 2 106 1 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2 106 2 . . . 129.79 . . . . . . . . . . . . . 64 ARG N . . 1 . . 15652 2 106 3 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2 107 1 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2 107 2 . . . 114.16 . . . . . . . . . . . . . 65 ASN N . . 1 . . 15652 2 107 3 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2 108 1 . . . 9.533 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2 108 2 . . . 122.859 . . . . . . . . . . . . . 63 VAL N . . 1 . . 15652 2 108 3 . . . 8.648 . . . . . . . . . . . . . 63 VAL H . . 1 . . 15652 2 109 1 . . . 9.582 . . . . . . . . . . . . . 34 GLY H . . 1 . . 15652 2 109 2 . . . 122.084 . . . . . . . . . . . . . 35 ASP N . . 1 . . 15652 2 109 3 . . . 8.254 . . . . . . . . . . . . . 35 ASP H . . 1 . . 15652 2 110 1 . . . 10.002 . . . . . . . . . . . . . 79 TRP H . . 1 . . 15652 2 110 2 . . . 121.003 . . . . . . . . . . . . . 79 TRP N . . 1 . . 15652 2 110 3 . . . 10.003 . . . . . . . . . . . . . 79 TRP H . . 1 . . 15652 2 stop_ save_