data_19618 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19618 _Entry.Title ; 1H, 15N and 13C resonance assignment of a transport protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-18 _Entry.Accession_date 2013-11-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yi Zhang . . . 19618 2 Lei Wang . . . 19618 3 Yunfei Hu . . . 19618 4 Changwen Jin . . . 19618 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19618 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 19618 '15N chemical shifts' 116 19618 '1H chemical shifts' 753 19618 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 . . 2014-04-30 2013-11-18 update BMRB 'update entry citation' 19618 1 . . 2014-04-28 2013-11-18 original author 'original release' 19618 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19618 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24699374 _Citation.Full_citation . _Citation.Title 'Solution structure of the TatB component of the twin-arginine translocation system.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1838 _Citation.Journal_issue 7 _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 1881 _Citation.Page_last 1888 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yi Zhang . . . 19618 1 2 Lei Wang . . . 19618 1 3 Yunfei Hu . . . 19618 1 4 Changwen Jin . . . 19618 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19618 _Assembly.ID 1 _Assembly.Name 'transport protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'transport protein' 1 $transport_protein A . yes native no no . . . 19618 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_transport_protein _Entity.Sf_category entity _Entity.Sf_framecode transport_protein _Entity.Entry_ID 19618 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFDIGFSELLLVFIIGLVVL GPQRLPVAVKTVAGWIRALR SLATTVQNELTQELKLQEFQ DSLKKVEKASLTNLTPELKA SMDELRQAAESMKRSYVAND PLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MI2 . "Solution Structure Of The E. Coli Tatb Protein In Dpc Micelles" . . . . . 100.00 109 100.00 100.00 3.10e-72 . . . . 19618 1 2 no GB EIQ59273 . "twin arginine-targeting protein translocase TatB, partial [Escherichia coli EPECa12]" . . . . . 77.98 85 100.00 100.00 7.56e-52 . . . . 19618 1 3 no GB EYV46754 . "preprotein translocase, partial [Escherichia coli O145:NM str. 2010C-3507]" . . . . . 90.83 99 100.00 100.00 3.30e-63 . . . . 19618 1 4 no REF WP_053263795 . "preprotein translocase [Escherichia coli]" . . . . . 92.66 171 100.00 100.00 3.05e-65 . . . . 19618 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 . 19618 1 2 . PHE . 19618 1 3 . ASP . 19618 1 4 . ILE . 19618 1 5 . GLY . 19618 1 6 . PHE . 19618 1 7 . SER . 19618 1 8 . GLU . 19618 1 9 . LEU . 19618 1 10 . LEU . 19618 1 11 . LEU . 19618 1 12 . VAL . 19618 1 13 . PHE . 19618 1 14 . ILE . 19618 1 15 . ILE . 19618 1 16 . GLY . 19618 1 17 . LEU . 19618 1 18 . VAL . 19618 1 19 . VAL . 19618 1 20 . LEU . 19618 1 21 . GLY . 19618 1 22 . PRO . 19618 1 23 . GLN . 19618 1 24 . ARG . 19618 1 25 . LEU . 19618 1 26 . PRO . 19618 1 27 . VAL . 19618 1 28 . ALA . 19618 1 29 . VAL . 19618 1 30 . LYS . 19618 1 31 . THR . 19618 1 32 . VAL . 19618 1 33 . ALA . 19618 1 34 . GLY . 19618 1 35 . TRP . 19618 1 36 . ILE . 19618 1 37 . ARG . 19618 1 38 . ALA . 19618 1 39 . LEU . 19618 1 40 . ARG . 19618 1 41 . SER . 19618 1 42 . LEU . 19618 1 43 . ALA . 19618 1 44 . THR . 19618 1 45 . THR . 19618 1 46 . VAL . 19618 1 47 . GLN . 19618 1 48 . ASN . 19618 1 49 . GLU . 19618 1 50 . LEU . 19618 1 51 . THR . 19618 1 52 . GLN . 19618 1 53 . GLU . 19618 1 54 . LEU . 19618 1 55 . LYS . 19618 1 56 . LEU . 19618 1 57 . GLN . 19618 1 58 . GLU . 19618 1 59 . PHE . 19618 1 60 . GLN . 19618 1 61 . ASP . 19618 1 62 . SER . 19618 1 63 . LEU . 19618 1 64 . LYS . 19618 1 65 . LYS . 19618 1 66 . VAL . 19618 1 67 . GLU . 19618 1 68 . LYS . 19618 1 69 . ALA . 19618 1 70 . SER . 19618 1 71 . LEU . 19618 1 72 . THR . 19618 1 73 . ASN . 19618 1 74 . LEU . 19618 1 75 . THR . 19618 1 76 . PRO . 19618 1 77 . GLU . 19618 1 78 . LEU . 19618 1 79 . LYS . 19618 1 80 . ALA . 19618 1 81 . SER . 19618 1 82 . MET . 19618 1 83 . ASP . 19618 1 84 . GLU . 19618 1 85 . LEU . 19618 1 86 . ARG . 19618 1 87 . GLN . 19618 1 88 . ALA . 19618 1 89 . ALA . 19618 1 90 . GLU . 19618 1 91 . SER . 19618 1 92 . MET . 19618 1 93 . LYS . 19618 1 94 . ARG . 19618 1 95 . SER . 19618 1 96 . TYR . 19618 1 97 . VAL . 19618 1 98 . ALA . 19618 1 99 . ASN . 19618 1 100 . ASP . 19618 1 101 . PRO . 19618 1 102 . LEU . 19618 1 103 . GLU . 19618 1 104 . HIS . 19618 1 105 . HIS . 19618 1 106 . HIS . 19618 1 107 . HIS . 19618 1 108 . HIS . 19618 1 109 . HIS . 19618 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 19618 1 . PHE 2 2 19618 1 . ASP 3 3 19618 1 . ILE 4 4 19618 1 . GLY 5 5 19618 1 . PHE 6 6 19618 1 . SER 7 7 19618 1 . GLU 8 8 19618 1 . LEU 9 9 19618 1 . LEU 10 10 19618 1 . LEU 11 11 19618 1 . VAL 12 12 19618 1 . PHE 13 13 19618 1 . ILE 14 14 19618 1 . ILE 15 15 19618 1 . GLY 16 16 19618 1 . LEU 17 17 19618 1 . VAL 18 18 19618 1 . VAL 19 19 19618 1 . LEU 20 20 19618 1 . GLY 21 21 19618 1 . PRO 22 22 19618 1 . GLN 23 23 19618 1 . ARG 24 24 19618 1 . LEU 25 25 19618 1 . PRO 26 26 19618 1 . VAL 27 27 19618 1 . ALA 28 28 19618 1 . VAL 29 29 19618 1 . LYS 30 30 19618 1 . THR 31 31 19618 1 . VAL 32 32 19618 1 . ALA 33 33 19618 1 . GLY 34 34 19618 1 . TRP 35 35 19618 1 . ILE 36 36 19618 1 . ARG 37 37 19618 1 . ALA 38 38 19618 1 . LEU 39 39 19618 1 . ARG 40 40 19618 1 . SER 41 41 19618 1 . LEU 42 42 19618 1 . ALA 43 43 19618 1 . THR 44 44 19618 1 . THR 45 45 19618 1 . VAL 46 46 19618 1 . GLN 47 47 19618 1 . ASN 48 48 19618 1 . GLU 49 49 19618 1 . LEU 50 50 19618 1 . THR 51 51 19618 1 . GLN 52 52 19618 1 . GLU 53 53 19618 1 . LEU 54 54 19618 1 . LYS 55 55 19618 1 . LEU 56 56 19618 1 . GLN 57 57 19618 1 . GLU 58 58 19618 1 . PHE 59 59 19618 1 . GLN 60 60 19618 1 . ASP 61 61 19618 1 . SER 62 62 19618 1 . LEU 63 63 19618 1 . LYS 64 64 19618 1 . LYS 65 65 19618 1 . VAL 66 66 19618 1 . GLU 67 67 19618 1 . LYS 68 68 19618 1 . ALA 69 69 19618 1 . SER 70 70 19618 1 . LEU 71 71 19618 1 . THR 72 72 19618 1 . ASN 73 73 19618 1 . LEU 74 74 19618 1 . THR 75 75 19618 1 . PRO 76 76 19618 1 . GLU 77 77 19618 1 . LEU 78 78 19618 1 . LYS 79 79 19618 1 . ALA 80 80 19618 1 . SER 81 81 19618 1 . MET 82 82 19618 1 . ASP 83 83 19618 1 . GLU 84 84 19618 1 . LEU 85 85 19618 1 . ARG 86 86 19618 1 . GLN 87 87 19618 1 . ALA 88 88 19618 1 . ALA 89 89 19618 1 . GLU 90 90 19618 1 . SER 91 91 19618 1 . MET 92 92 19618 1 . LYS 93 93 19618 1 . ARG 94 94 19618 1 . SER 95 95 19618 1 . TYR 96 96 19618 1 . VAL 97 97 19618 1 . ALA 98 98 19618 1 . ASN 99 99 19618 1 . ASP 100 100 19618 1 . PRO 101 101 19618 1 . LEU 102 102 19618 1 . GLU 103 103 19618 1 . HIS 104 104 19618 1 . HIS 105 105 19618 1 . HIS 106 106 19618 1 . HIS 107 107 19618 1 . HIS 108 108 19618 1 . HIS 109 109 19618 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 19618 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $transport_protein . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19618 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 19618 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $transport_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-21a . . . . . . 19618 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19618 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'transport protein' '[U-100% 13C; U-100% 15N]' . . 1 $transport_protein . . 1 . . mM . . . . 19618 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 19618 1 3 DPC 'natural abundance' . . . . . . 40 . . mM . . . . 19618 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19618 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19618 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19618 _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' 0.02 . M 19618 1 pH 5.5 . pH 19618 1 pressure 1 . atm 19618 1 temperature 313 . K 19618 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19618 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19618 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19618 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19618 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19618 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19618 2 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 19618 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19618 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19618 _NMR_spectrometer.ID 3 _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 19618 _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 . 500 . . . 19618 1 2 spectrometer_2 Bruker Avance . 600 . . . 19618 1 3 spectrometer_3 Bruker Avance . 800 . . . 19618 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 19618 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19618 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19618 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19618 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19618 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19618 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 19618 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19618 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 19618 1 3 '3D CBCA(CO)NH' 1 $sample_1 . 19618 1 4 '3D HNCO' 1 $sample_1 . 19618 1 11 '3D 1H-13C NOESY aromatic' 1 $sample_1 . 19618 1 12 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19618 1 13 '3D 1H-15N NOESY' 1 $sample_1 . 19618 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.592 0.005 . 1 . . . . 1 Met H . 19618 1 2 . 1 1 1 1 MET HA H 1 4.246 0.002 . 1 . . . . 1 Met HA . 19618 1 3 . 1 1 1 1 MET HB2 H 1 1.811 0.001 . 2 . . . . 1 Met HB2 . 19618 1 4 . 1 1 1 1 MET HB3 H 1 1.753 0.002 . 2 . . . . 1 Met HB3 . 19618 1 5 . 1 1 1 1 MET HG2 H 1 2.254 0.006 . 1 . . . . 1 Met HG2 . 19618 1 6 . 1 1 1 1 MET HE1 H 1 1.949 0.004 . 1 . . . . 1 Met HE1 . 19618 1 7 . 1 1 1 1 MET HE2 H 1 1.949 0.004 . 1 . . . . 1 Met HE2 . 19618 1 8 . 1 1 1 1 MET HE3 H 1 1.949 0.004 . 1 . . . . 1 Met HE3 . 19618 1 9 . 1 1 1 1 MET C C 13 174.950 0.200 . 1 . . . . 1 Met C . 19618 1 10 . 1 1 1 1 MET CA C 13 55.442 0.006 . 1 . . . . 1 Met CA . 19618 1 11 . 1 1 1 1 MET CB C 13 33.803 0.010 . 1 . . . . 1 Met CB . 19618 1 12 . 1 1 1 1 MET CG C 13 32.097 0.001 . 1 . . . . 1 Met CG . 19618 1 13 . 1 1 1 1 MET CE C 13 17.212 0.007 . 1 . . . . 1 Met CE . 19618 1 14 . 1 1 1 1 MET N N 15 128.515 0.039 . 1 . . . . 1 Met N . 19618 1 15 . 1 1 2 2 PHE H H 1 8.192 0.003 . 1 . . . . 2 Phe H . 19618 1 16 . 1 1 2 2 PHE HA H 1 4.627 0.005 . 1 . . . . 2 Phe HA . 19618 1 17 . 1 1 2 2 PHE HB2 H 1 2.973 0.004 . 2 . . . . 2 Phe HB2 . 19618 1 18 . 1 1 2 2 PHE HB3 H 1 3.251 0.002 . 2 . . . . 2 Phe HB3 . 19618 1 19 . 1 1 2 2 PHE HD1 H 1 7.223 0.004 . 3 . . . . 2 Phe HD1 . 19618 1 20 . 1 1 2 2 PHE HD2 H 1 7.223 0.004 . 3 . . . . 2 Phe HD2 . 19618 1 21 . 1 1 2 2 PHE HE1 H 1 7.203 0.003 . 3 . . . . 2 Phe HE1 . 19618 1 22 . 1 1 2 2 PHE HE2 H 1 7.203 0.003 . 3 . . . . 2 Phe HE2 . 19618 1 23 . 1 1 2 2 PHE HZ H 1 7.091 0.003 . 1 . . . . 2 Phe HZ . 19618 1 24 . 1 1 2 2 PHE C C 13 174.630 0.200 . 1 . . . . 2 Phe C . 19618 1 25 . 1 1 2 2 PHE CA C 13 57.130 0.200 . 1 . . . . 2 Phe CA . 19618 1 26 . 1 1 2 2 PHE CB C 13 39.429 0.019 . 1 . . . . 2 Phe CB . 19618 1 27 . 1 1 2 2 PHE CD1 C 13 132.211 0.003 . 3 . . . . 2 Phe CD1 . 19618 1 28 . 1 1 2 2 PHE CD2 C 13 132.211 0.003 . 3 . . . . 2 Phe CD2 . 19618 1 29 . 1 1 2 2 PHE CE1 C 13 131.028 0.074 . 3 . . . . 2 Phe CE1 . 19618 1 30 . 1 1 2 2 PHE CE2 C 13 131.028 0.074 . 3 . . . . 2 Phe CE2 . 19618 1 31 . 1 1 2 2 PHE CZ C 13 128.935 0.200 . 1 . . . . 2 Phe CZ . 19618 1 32 . 1 1 2 2 PHE N N 15 117.034 0.038 . 1 . . . . 2 Phe N . 19618 1 33 . 1 1 3 3 ASP H H 1 8.173 0.003 . 1 . . . . 3 Asp H . 19618 1 34 . 1 1 3 3 ASP HA H 1 4.666 0.005 . 1 . . . . 3 Asp HA . 19618 1 35 . 1 1 3 3 ASP HB2 H 1 2.602 0.003 . 2 . . . . 3 Asp HB2 . 19618 1 36 . 1 1 3 3 ASP HB3 H 1 2.766 0.004 . 2 . . . . 3 Asp HB3 . 19618 1 37 . 1 1 3 3 ASP C C 13 175.430 0.200 . 1 . . . . 3 Asp C . 19618 1 38 . 1 1 3 3 ASP CA C 13 54.500 0.200 . 1 . . . . 3 Asp CA . 19618 1 39 . 1 1 3 3 ASP CB C 13 41.078 0.001 . 1 . . . . 3 Asp CB . 19618 1 40 . 1 1 3 3 ASP N N 15 120.891 0.044 . 1 . . . . 3 Asp N . 19618 1 41 . 1 1 4 4 ILE H H 1 7.891 0.003 . 1 . . . . 4 Ile H . 19618 1 42 . 1 1 4 4 ILE HA H 1 4.172 0.003 . 1 . . . . 4 Ile HA . 19618 1 43 . 1 1 4 4 ILE HB H 1 1.868 0.001 . 1 . . . . 4 Ile HB . 19618 1 44 . 1 1 4 4 ILE HG12 H 1 1.215 0.003 . 2 . . . . 4 Ile HG12 . 19618 1 45 . 1 1 4 4 ILE HG13 H 1 1.550 0.003 . 2 . . . . 4 Ile HG13 . 19618 1 46 . 1 1 4 4 ILE HG21 H 1 0.920 0.002 . 1 . . . . 4 Ile HG21 . 19618 1 47 . 1 1 4 4 ILE HG22 H 1 0.920 0.002 . 1 . . . . 4 Ile HG22 . 19618 1 48 . 1 1 4 4 ILE HG23 H 1 0.920 0.002 . 1 . . . . 4 Ile HG23 . 19618 1 49 . 1 1 4 4 ILE HD11 H 1 0.833 0.003 . 1 . . . . 4 Ile HD11 . 19618 1 50 . 1 1 4 4 ILE HD12 H 1 0.833 0.003 . 1 . . . . 4 Ile HD12 . 19618 1 51 . 1 1 4 4 ILE HD13 H 1 0.833 0.003 . 1 . . . . 4 Ile HD13 . 19618 1 52 . 1 1 4 4 ILE C C 13 175.320 0.200 . 1 . . . . 4 Ile C . 19618 1 53 . 1 1 4 4 ILE CA C 13 61.248 0.003 . 1 . . . . 4 Ile CA . 19618 1 54 . 1 1 4 4 ILE CB C 13 39.368 0.014 . 1 . . . . 4 Ile CB . 19618 1 55 . 1 1 4 4 ILE CG1 C 13 27.548 0.020 . 1 . . . . 4 Ile CG1 . 19618 1 56 . 1 1 4 4 ILE CG2 C 13 17.777 0.047 . 1 . . . . 4 Ile CG2 . 19618 1 57 . 1 1 4 4 ILE CD1 C 13 13.519 0.017 . 1 . . . . 4 Ile CD1 . 19618 1 58 . 1 1 4 4 ILE N N 15 120.399 0.014 . 1 . . . . 4 Ile N . 19618 1 59 . 1 1 5 5 GLY H H 1 8.372 0.006 . 1 . . . . 5 Gly H . 19618 1 60 . 1 1 5 5 GLY HA2 H 1 4.249 0.002 . 2 . . . . 5 Gly HA2 . 19618 1 61 . 1 1 5 5 GLY HA3 H 1 3.998 0.002 . 2 . . . . 5 Gly HA3 . 19618 1 62 . 1 1 5 5 GLY C C 13 174.310 0.200 . 1 . . . . 5 Gly C . 19618 1 63 . 1 1 5 5 GLY CA C 13 45.114 0.041 . 1 . . . . 5 Gly CA . 19618 1 64 . 1 1 5 5 GLY N N 15 112.412 0.029 . 1 . . . . 5 Gly N . 19618 1 65 . 1 1 6 6 PHE H H 1 8.846 0.013 . 1 . . . . 6 Phe H . 19618 1 66 . 1 1 6 6 PHE HA H 1 4.223 0.006 . 1 . . . . 6 Phe HA . 19618 1 67 . 1 1 6 6 PHE HB2 H 1 3.249 0.002 . 2 . . . . 6 Phe HB2 . 19618 1 68 . 1 1 6 6 PHE HB3 H 1 3.099 0.001 . 2 . . . . 6 Phe HB3 . 19618 1 69 . 1 1 6 6 PHE HD1 H 1 7.241 0.003 . 3 . . . . 6 Phe HD1 . 19618 1 70 . 1 1 6 6 PHE HD2 H 1 7.241 0.003 . 3 . . . . 6 Phe HD2 . 19618 1 71 . 1 1 6 6 PHE HE1 H 1 7.203 0.005 . 3 . . . . 6 Phe HE1 . 19618 1 72 . 1 1 6 6 PHE HE2 H 1 7.203 0.005 . 3 . . . . 6 Phe HE2 . 19618 1 73 . 1 1 6 6 PHE HZ H 1 7.138 0.003 . 1 . . . . 6 Phe HZ . 19618 1 74 . 1 1 6 6 PHE C C 13 177.140 0.200 . 1 . . . . 6 Phe C . 19618 1 75 . 1 1 6 6 PHE CA C 13 61.664 0.009 . 1 . . . . 6 Phe CA . 19618 1 76 . 1 1 6 6 PHE CB C 13 39.478 0.016 . 1 . . . . 6 Phe CB . 19618 1 77 . 1 1 6 6 PHE CD1 C 13 131.984 0.003 . 3 . . . . 6 Phe CD1 . 19618 1 78 . 1 1 6 6 PHE CD2 C 13 131.984 0.003 . 3 . . . . 6 Phe CD2 . 19618 1 79 . 1 1 6 6 PHE CE1 C 13 130.949 0.200 . 3 . . . . 6 Phe CE1 . 19618 1 80 . 1 1 6 6 PHE CE2 C 13 130.949 0.200 . 3 . . . . 6 Phe CE2 . 19618 1 81 . 1 1 6 6 PHE CZ C 13 129.170 0.200 . 1 . . . . 6 Phe CZ . 19618 1 82 . 1 1 6 6 PHE N N 15 121.269 0.033 . 1 . . . . 6 Phe N . 19618 1 83 . 1 1 7 7 SER H H 1 8.722 0.018 . 1 . . . . 7 Ser H . 19618 1 84 . 1 1 7 7 SER HA H 1 3.919 0.007 . 1 . . . . 7 Ser HA . 19618 1 85 . 1 1 7 7 SER HB2 H 1 3.929 0.150 . 2 . . . . 7 Ser HB2 . 19618 1 86 . 1 1 7 7 SER HB3 H 1 3.796 0.002 . 2 . . . . 7 Ser HB3 . 19618 1 87 . 1 1 7 7 SER C C 13 175.580 0.200 . 1 . . . . 7 Ser C . 19618 1 88 . 1 1 7 7 SER CA C 13 62.864 0.200 . 1 . . . . 7 Ser CA . 19618 1 89 . 1 1 7 7 SER CB C 13 62.864 0.200 . 1 . . . . 7 Ser CB . 19618 1 90 . 1 1 7 7 SER N N 15 114.964 0.040 . 1 . . . . 7 Ser N . 19618 1 91 . 1 1 8 8 GLU H H 1 8.103 0.004 . 1 . . . . 8 Glu H . 19618 1 92 . 1 1 8 8 GLU HA H 1 3.907 0.003 . 1 . . . . 8 Glu HA . 19618 1 93 . 1 1 8 8 GLU HB2 H 1 2.329 0.005 . 2 . . . . 8 Glu HB2 . 19618 1 94 . 1 1 8 8 GLU HB3 H 1 1.842 0.002 . 2 . . . . 8 Glu HB3 . 19618 1 95 . 1 1 8 8 GLU C C 13 177.630 0.200 . 1 . . . . 8 Glu C . 19618 1 96 . 1 1 8 8 GLU CA C 13 61.000 0.200 . 1 . . . . 8 Glu CA . 19618 1 97 . 1 1 8 8 GLU CB C 13 28.744 0.051 . 1 . . . . 8 Glu CB . 19618 1 98 . 1 1 8 8 GLU CG C 13 34.000 0.200 . 1 . . . . 8 Glu CG . 19618 1 99 . 1 1 8 8 GLU N N 15 120.549 0.016 . 1 . . . . 8 Glu N . 19618 1 100 . 1 1 9 9 LEU H H 1 7.891 0.003 . 1 . . . . 9 Leu H . 19618 1 101 . 1 1 9 9 LEU HA H 1 3.920 0.003 . 1 . . . . 9 Leu HA . 19618 1 102 . 1 1 9 9 LEU HB2 H 1 1.510 0.002 . 2 . . . . 9 Leu HB2 . 19618 1 103 . 1 1 9 9 LEU HB3 H 1 1.693 0.003 . 2 . . . . 9 Leu HB3 . 19618 1 104 . 1 1 9 9 LEU HG H 1 1.650 0.001 . 1 . . . . 9 Leu HG . 19618 1 105 . 1 1 9 9 LEU HD11 H 1 0.833 0.003 . 2 . . . . 9 Leu HD11 . 19618 1 106 . 1 1 9 9 LEU HD12 H 1 0.833 0.003 . 2 . . . . 9 Leu HD12 . 19618 1 107 . 1 1 9 9 LEU HD13 H 1 0.833 0.003 . 2 . . . . 9 Leu HD13 . 19618 1 108 . 1 1 9 9 LEU HD21 H 1 0.909 0.150 . 2 . . . . 9 Leu HD21 . 19618 1 109 . 1 1 9 9 LEU HD22 H 1 0.909 0.150 . 2 . . . . 9 Leu HD22 . 19618 1 110 . 1 1 9 9 LEU HD23 H 1 0.909 0.150 . 2 . . . . 9 Leu HD23 . 19618 1 111 . 1 1 9 9 LEU C C 13 178.240 0.200 . 1 . . . . 9 Leu C . 19618 1 112 . 1 1 9 9 LEU CA C 13 58.060 0.006 . 1 . . . . 9 Leu CA . 19618 1 113 . 1 1 9 9 LEU CB C 13 41.644 0.001 . 1 . . . . 9 Leu CB . 19618 1 114 . 1 1 9 9 LEU CG C 13 27.043 0.007 . 1 . . . . 9 Leu CG . 19618 1 115 . 1 1 9 9 LEU CD1 C 13 24.600 0.200 . 2 . . . . 9 Leu CD1 . 19618 1 116 . 1 1 9 9 LEU CD2 C 13 24.631 0.036 . 2 . . . . 9 Leu CD2 . 19618 1 117 . 1 1 9 9 LEU N N 15 119.311 0.079 . 1 . . . . 9 Leu N . 19618 1 118 . 1 1 10 10 LEU H H 1 8.246 0.003 . 1 . . . . 10 Leu H . 19618 1 119 . 1 1 10 10 LEU HA H 1 3.935 0.003 . 1 . . . . 10 Leu HA . 19618 1 120 . 1 1 10 10 LEU HB2 H 1 1.563 0.007 . 2 . . . . 10 Leu HB2 . 19618 1 121 . 1 1 10 10 LEU HB3 H 1 1.745 0.005 . 2 . . . . 10 Leu HB3 . 19618 1 122 . 1 1 10 10 LEU HG H 1 1.832 0.150 . 1 . . . . 10 Leu HG . 19618 1 123 . 1 1 10 10 LEU HD11 H 1 0.847 0.004 . 2 . . . . 10 Leu HD11 . 19618 1 124 . 1 1 10 10 LEU HD12 H 1 0.847 0.004 . 2 . . . . 10 Leu HD12 . 19618 1 125 . 1 1 10 10 LEU HD13 H 1 0.847 0.004 . 2 . . . . 10 Leu HD13 . 19618 1 126 . 1 1 10 10 LEU HD21 H 1 0.835 0.003 . 2 . . . . 10 Leu HD21 . 19618 1 127 . 1 1 10 10 LEU HD22 H 1 0.835 0.003 . 2 . . . . 10 Leu HD22 . 19618 1 128 . 1 1 10 10 LEU HD23 H 1 0.835 0.003 . 2 . . . . 10 Leu HD23 . 19618 1 129 . 1 1 10 10 LEU C C 13 178.470 0.200 . 1 . . . . 10 Leu C . 19618 1 130 . 1 1 10 10 LEU CA C 13 58.121 0.016 . 1 . . . . 10 Leu CA . 19618 1 131 . 1 1 10 10 LEU CB C 13 41.530 0.200 . 1 . . . . 10 Leu CB . 19618 1 132 . 1 1 10 10 LEU CD1 C 13 24.667 0.001 . 1 . . . . 10 Leu CD1 . 19618 1 133 . 1 1 10 10 LEU CD2 C 13 24.668 0.001 . 1 . . . . 10 Leu CD2 . 19618 1 134 . 1 1 10 10 LEU N N 15 119.049 0.057 . 1 . . . . 10 Leu N . 19618 1 135 . 1 1 11 11 LEU H H 1 7.773 0.005 . 1 . . . . 11 Leu H . 19618 1 136 . 1 1 11 11 LEU HA H 1 3.985 0.004 . 1 . . . . 11 Leu HA . 19618 1 137 . 1 1 11 11 LEU HB2 H 1 1.755 0.010 . 2 . . . . 11 Leu HB2 . 19618 1 138 . 1 1 11 11 LEU HB3 H 1 1.771 0.001 . 2 . . . . 11 Leu HB3 . 19618 1 139 . 1 1 11 11 LEU HG H 1 1.609 0.003 . 1 . . . . 11 Leu HG . 19618 1 140 . 1 1 11 11 LEU HD11 H 1 0.855 0.150 . 1 . . . . 11 Leu HD11 . 19618 1 141 . 1 1 11 11 LEU HD12 H 1 0.855 0.150 . 1 . . . . 11 Leu HD12 . 19618 1 142 . 1 1 11 11 LEU HD13 H 1 0.855 0.150 . 1 . . . . 11 Leu HD13 . 19618 1 143 . 1 1 11 11 LEU HD21 H 1 0.854 0.150 . 1 . . . . 11 Leu HD21 . 19618 1 144 . 1 1 11 11 LEU HD22 H 1 0.854 0.150 . 1 . . . . 11 Leu HD22 . 19618 1 145 . 1 1 11 11 LEU HD23 H 1 0.854 0.150 . 1 . . . . 11 Leu HD23 . 19618 1 146 . 1 1 11 11 LEU C C 13 178.260 0.200 . 1 . . . . 11 Leu C . 19618 1 147 . 1 1 11 11 LEU CA C 13 58.563 0.011 . 1 . . . . 11 Leu CA . 19618 1 148 . 1 1 11 11 LEU CB C 13 41.842 0.022 . 1 . . . . 11 Leu CB . 19618 1 149 . 1 1 11 11 LEU CG C 13 27.000 0.200 . 1 . . . . 11 Leu CG . 19618 1 150 . 1 1 11 11 LEU N N 15 118.401 0.034 . 1 . . . . 11 Leu N . 19618 1 151 . 1 1 12 12 VAL H H 1 7.994 0.008 . 1 . . . . 12 Val H . 19618 1 152 . 1 1 12 12 VAL HA H 1 3.490 0.004 . 1 . . . . 12 Val HA . 19618 1 153 . 1 1 12 12 VAL HB H 1 2.257 0.002 . 1 . . . . 12 Val HB . 19618 1 154 . 1 1 12 12 VAL HG11 H 1 0.860 0.002 . 2 . . . . 12 Val HG11 . 19618 1 155 . 1 1 12 12 VAL HG12 H 1 0.860 0.002 . 2 . . . . 12 Val HG12 . 19618 1 156 . 1 1 12 12 VAL HG13 H 1 0.860 0.002 . 2 . . . . 12 Val HG13 . 19618 1 157 . 1 1 12 12 VAL HG21 H 1 1.039 0.003 . 2 . . . . 12 Val HG21 . 19618 1 158 . 1 1 12 12 VAL HG22 H 1 1.039 0.003 . 2 . . . . 12 Val HG22 . 19618 1 159 . 1 1 12 12 VAL HG23 H 1 1.039 0.003 . 2 . . . . 12 Val HG23 . 19618 1 160 . 1 1 12 12 VAL C C 13 177.230 0.200 . 1 . . . . 12 Val C . 19618 1 161 . 1 1 12 12 VAL CA C 13 67.220 0.013 . 1 . . . . 12 Val CA . 19618 1 162 . 1 1 12 12 VAL CB C 13 31.243 0.200 . 1 . . . . 12 Val CB . 19618 1 163 . 1 1 12 12 VAL CG1 C 13 21.719 0.200 . 2 . . . . 12 Val CG1 . 19618 1 164 . 1 1 12 12 VAL CG2 C 13 23.193 0.017 . 2 . . . . 12 Val CG2 . 19618 1 165 . 1 1 12 12 VAL N N 15 118.023 0.038 . 1 . . . . 12 Val N . 19618 1 166 . 1 1 13 13 PHE H H 1 8.309 0.004 . 1 . . . . 13 Phe H . 19618 1 167 . 1 1 13 13 PHE HA H 1 4.104 0.002 . 1 . . . . 13 Phe HA . 19618 1 168 . 1 1 13 13 PHE HB2 H 1 3.253 0.003 . 2 . . . . 13 Phe HB2 . 19618 1 169 . 1 1 13 13 PHE HB3 H 1 3.159 0.006 . 2 . . . . 13 Phe HB3 . 19618 1 170 . 1 1 13 13 PHE HD1 H 1 7.079 0.003 . 3 . . . . 13 Phe HD1 . 19618 1 171 . 1 1 13 13 PHE HD2 H 1 7.079 0.003 . 3 . . . . 13 Phe HD2 . 19618 1 172 . 1 1 13 13 PHE HE1 H 1 7.040 0.006 . 3 . . . . 13 Phe HE1 . 19618 1 173 . 1 1 13 13 PHE HE2 H 1 7.040 0.006 . 3 . . . . 13 Phe HE2 . 19618 1 174 . 1 1 13 13 PHE HZ H 1 6.999 0.002 . 1 . . . . 13 Phe HZ . 19618 1 175 . 1 1 13 13 PHE C C 13 176.750 0.200 . 1 . . . . 13 Phe C . 19618 1 176 . 1 1 13 13 PHE CA C 13 61.731 0.012 . 1 . . . . 13 Phe CA . 19618 1 177 . 1 1 13 13 PHE CB C 13 39.305 0.043 . 1 . . . . 13 Phe CB . 19618 1 178 . 1 1 13 13 PHE CD1 C 13 131.287 0.031 . 3 . . . . 13 Phe CD1 . 19618 1 179 . 1 1 13 13 PHE CD2 C 13 131.287 0.031 . 3 . . . . 13 Phe CD2 . 19618 1 180 . 1 1 13 13 PHE CE1 C 13 130.576 0.001 . 3 . . . . 13 Phe CE1 . 19618 1 181 . 1 1 13 13 PHE CE2 C 13 130.576 0.001 . 3 . . . . 13 Phe CE2 . 19618 1 182 . 1 1 13 13 PHE CZ C 13 128.701 0.200 . 1 . . . . 13 Phe CZ . 19618 1 183 . 1 1 13 13 PHE N N 15 119.885 0.051 . 1 . . . . 13 Phe N . 19618 1 184 . 1 1 14 14 ILE H H 1 8.447 0.003 . 1 . . . . 14 Ile H . 19618 1 185 . 1 1 14 14 ILE HA H 1 3.483 0.007 . 1 . . . . 14 Ile HA . 19618 1 186 . 1 1 14 14 ILE HB H 1 2.019 0.001 . 1 . . . . 14 Ile HB . 19618 1 187 . 1 1 14 14 ILE HG12 H 1 1.153 0.002 . 2 . . . . 14 Ile HG12 . 19618 1 188 . 1 1 14 14 ILE HG13 H 1 1.886 0.003 . 2 . . . . 14 Ile HG13 . 19618 1 189 . 1 1 14 14 ILE HG21 H 1 0.840 0.001 . 1 . . . . 14 Ile HG21 . 19618 1 190 . 1 1 14 14 ILE HG22 H 1 0.840 0.001 . 1 . . . . 14 Ile HG22 . 19618 1 191 . 1 1 14 14 ILE HG23 H 1 0.840 0.001 . 1 . . . . 14 Ile HG23 . 19618 1 192 . 1 1 14 14 ILE HD11 H 1 0.797 0.001 . 1 . . . . 14 Ile HD11 . 19618 1 193 . 1 1 14 14 ILE HD12 H 1 0.797 0.001 . 1 . . . . 14 Ile HD12 . 19618 1 194 . 1 1 14 14 ILE HD13 H 1 0.797 0.001 . 1 . . . . 14 Ile HD13 . 19618 1 195 . 1 1 14 14 ILE C C 13 177.400 0.200 . 1 . . . . 14 Ile C . 19618 1 196 . 1 1 14 14 ILE CA C 13 65.528 0.020 . 1 . . . . 14 Ile CA . 19618 1 197 . 1 1 14 14 ILE CB C 13 37.462 0.200 . 1 . . . . 14 Ile CB . 19618 1 198 . 1 1 14 14 ILE CG1 C 13 29.434 0.030 . 1 . . . . 14 Ile CG1 . 19618 1 199 . 1 1 14 14 ILE CG2 C 13 17.406 0.007 . 1 . . . . 14 Ile CG2 . 19618 1 200 . 1 1 14 14 ILE CD1 C 13 12.999 0.011 . 1 . . . . 14 Ile CD1 . 19618 1 201 . 1 1 14 14 ILE N N 15 118.930 0.022 . 1 . . . . 14 Ile N . 19618 1 202 . 1 1 15 15 ILE H H 1 8.373 0.004 . 1 . . . . 15 Ile H . 19618 1 203 . 1 1 15 15 ILE HA H 1 3.495 0.002 . 1 . . . . 15 Ile HA . 19618 1 204 . 1 1 15 15 ILE HB H 1 1.908 0.001 . 1 . . . . 15 Ile HB . 19618 1 205 . 1 1 15 15 ILE HG12 H 1 0.976 0.003 . 2 . . . . 15 Ile HG12 . 19618 1 206 . 1 1 15 15 ILE HG13 H 1 1.870 0.001 . 2 . . . . 15 Ile HG13 . 19618 1 207 . 1 1 15 15 ILE HG21 H 1 0.785 0.002 . 1 . . . . 15 Ile HG21 . 19618 1 208 . 1 1 15 15 ILE HG22 H 1 0.785 0.002 . 1 . . . . 15 Ile HG22 . 19618 1 209 . 1 1 15 15 ILE HG23 H 1 0.785 0.002 . 1 . . . . 15 Ile HG23 . 19618 1 210 . 1 1 15 15 ILE HD11 H 1 0.763 0.001 . 1 . . . . 15 Ile HD11 . 19618 1 211 . 1 1 15 15 ILE HD12 H 1 0.763 0.001 . 1 . . . . 15 Ile HD12 . 19618 1 212 . 1 1 15 15 ILE HD13 H 1 0.763 0.001 . 1 . . . . 15 Ile HD13 . 19618 1 213 . 1 1 15 15 ILE C C 13 178.010 0.200 . 1 . . . . 15 Ile C . 19618 1 214 . 1 1 15 15 ILE CA C 13 65.761 0.026 . 1 . . . . 15 Ile CA . 19618 1 215 . 1 1 15 15 ILE CB C 13 37.340 0.200 . 1 . . . . 15 Ile CB . 19618 1 216 . 1 1 15 15 ILE CG1 C 13 29.573 0.015 . 1 . . . . 15 Ile CG1 . 19618 1 217 . 1 1 15 15 ILE CG2 C 13 17.631 0.003 . 1 . . . . 15 Ile CG2 . 19618 1 218 . 1 1 15 15 ILE CD1 C 13 13.295 0.008 . 1 . . . . 15 Ile CD1 . 19618 1 219 . 1 1 15 15 ILE N N 15 119.304 0.009 . 1 . . . . 15 Ile N . 19618 1 220 . 1 1 16 16 GLY H H 1 8.680 0.005 . 1 . . . . 16 Gly H . 19618 1 221 . 1 1 16 16 GLY HA2 H 1 3.479 0.004 . 1 . . . . 16 Gly HA2 . 19618 1 222 . 1 1 16 16 GLY C C 13 174.660 0.200 . 1 . . . . 16 Gly C . 19618 1 223 . 1 1 16 16 GLY CA C 13 47.955 0.016 . 1 . . . . 16 Gly CA . 19618 1 224 . 1 1 16 16 GLY N N 15 106.846 0.013 . 1 . . . . 16 Gly N . 19618 1 225 . 1 1 17 17 LEU H H 1 8.416 0.004 . 1 . . . . 17 Leu H . 19618 1 226 . 1 1 17 17 LEU HA H 1 3.712 0.002 . 1 . . . . 17 Leu HA . 19618 1 227 . 1 1 17 17 LEU HB3 H 1 1.606 0.002 . 1 . . . . 17 Leu HB3 . 19618 1 228 . 1 1 17 17 LEU HG H 1 1.516 0.003 . 1 . . . . 17 Leu HG . 19618 1 229 . 1 1 17 17 LEU HD11 H 1 0.670 0.004 . 2 . . . . 17 Leu HD11 . 19618 1 230 . 1 1 17 17 LEU HD12 H 1 0.670 0.004 . 2 . . . . 17 Leu HD12 . 19618 1 231 . 1 1 17 17 LEU HD13 H 1 0.670 0.004 . 2 . . . . 17 Leu HD13 . 19618 1 232 . 1 1 17 17 LEU HD21 H 1 0.721 0.002 . 2 . . . . 17 Leu HD21 . 19618 1 233 . 1 1 17 17 LEU HD22 H 1 0.721 0.002 . 2 . . . . 17 Leu HD22 . 19618 1 234 . 1 1 17 17 LEU HD23 H 1 0.721 0.002 . 2 . . . . 17 Leu HD23 . 19618 1 235 . 1 1 17 17 LEU C C 13 178.020 0.200 . 1 . . . . 17 Leu C . 19618 1 236 . 1 1 17 17 LEU CA C 13 58.553 0.006 . 1 . . . . 17 Leu CA . 19618 1 237 . 1 1 17 17 LEU CB C 13 42.015 0.030 . 1 . . . . 17 Leu CB . 19618 1 238 . 1 1 17 17 LEU CG C 13 26.622 0.010 . 1 . . . . 17 Leu CG . 19618 1 239 . 1 1 17 17 LEU CD1 C 13 24.717 0.065 . 2 . . . . 17 Leu CD1 . 19618 1 240 . 1 1 17 17 LEU CD2 C 13 24.892 0.021 . 2 . . . . 17 Leu CD2 . 19618 1 241 . 1 1 17 17 LEU N N 15 123.076 0.013 . 1 . . . . 17 Leu N . 19618 1 242 . 1 1 18 18 VAL H H 1 7.943 0.009 . 1 . . . . 18 Val H . 19618 1 243 . 1 1 18 18 VAL HA H 1 3.627 0.002 . 1 . . . . 18 Val HA . 19618 1 244 . 1 1 18 18 VAL HB H 1 2.174 0.003 . 1 . . . . 18 Val HB . 19618 1 245 . 1 1 18 18 VAL HG11 H 1 1.005 0.001 . 2 . . . . 18 Val HG11 . 19618 1 246 . 1 1 18 18 VAL HG12 H 1 1.005 0.001 . 2 . . . . 18 Val HG12 . 19618 1 247 . 1 1 18 18 VAL HG13 H 1 1.005 0.001 . 2 . . . . 18 Val HG13 . 19618 1 248 . 1 1 18 18 VAL HG21 H 1 0.892 0.002 . 2 . . . . 18 Val HG21 . 19618 1 249 . 1 1 18 18 VAL HG22 H 1 0.892 0.002 . 2 . . . . 18 Val HG22 . 19618 1 250 . 1 1 18 18 VAL HG23 H 1 0.892 0.002 . 2 . . . . 18 Val HG23 . 19618 1 251 . 1 1 18 18 VAL C C 13 176.700 0.200 . 1 . . . . 18 Val C . 19618 1 252 . 1 1 18 18 VAL CA C 13 66.122 0.001 . 1 . . . . 18 Val CA . 19618 1 253 . 1 1 18 18 VAL CB C 13 31.800 0.001 . 1 . . . . 18 Val CB . 19618 1 254 . 1 1 18 18 VAL CG1 C 13 22.883 0.002 . 2 . . . . 18 Val CG1 . 19618 1 255 . 1 1 18 18 VAL CG2 C 13 21.887 0.013 . 2 . . . . 18 Val CG2 . 19618 1 256 . 1 1 18 18 VAL N N 15 116.823 0.020 . 1 . . . . 18 Val N . 19618 1 257 . 1 1 19 19 VAL H H 1 8.263 0.006 . 1 . . . . 19 Val H . 19618 1 258 . 1 1 19 19 VAL HA H 1 3.807 0.001 . 1 . . . . 19 Val HA . 19618 1 259 . 1 1 19 19 VAL HB H 1 2.000 0.005 . 1 . . . . 19 Val HB . 19618 1 260 . 1 1 19 19 VAL HG11 H 1 0.907 0.001 . 2 . . . . 19 Val HG11 . 19618 1 261 . 1 1 19 19 VAL HG12 H 1 0.907 0.001 . 2 . . . . 19 Val HG12 . 19618 1 262 . 1 1 19 19 VAL HG13 H 1 0.907 0.001 . 2 . . . . 19 Val HG13 . 19618 1 263 . 1 1 19 19 VAL HG21 H 1 0.988 0.003 . 2 . . . . 19 Val HG21 . 19618 1 264 . 1 1 19 19 VAL HG22 H 1 0.988 0.003 . 2 . . . . 19 Val HG22 . 19618 1 265 . 1 1 19 19 VAL HG23 H 1 0.988 0.003 . 2 . . . . 19 Val HG23 . 19618 1 266 . 1 1 19 19 VAL C C 13 177.010 0.200 . 1 . . . . 19 Val C . 19618 1 267 . 1 1 19 19 VAL CA C 13 65.623 0.200 . 1 . . . . 19 Val CA . 19618 1 268 . 1 1 19 19 VAL CB C 13 32.507 0.060 . 1 . . . . 19 Val CB . 19618 1 269 . 1 1 19 19 VAL CG1 C 13 21.880 0.200 . 2 . . . . 19 Val CG1 . 19618 1 270 . 1 1 19 19 VAL CG2 C 13 22.947 0.015 . 2 . . . . 19 Val CG2 . 19618 1 271 . 1 1 19 19 VAL N N 15 115.935 0.021 . 1 . . . . 19 Val N . 19618 1 272 . 1 1 20 20 LEU H H 1 8.294 0.004 . 1 . . . . 20 Leu H . 19618 1 273 . 1 1 20 20 LEU HA H 1 4.392 0.004 . 1 . . . . 20 Leu HA . 19618 1 274 . 1 1 20 20 LEU HB2 H 1 2.009 0.005 . 2 . . . . 20 Leu HB2 . 19618 1 275 . 1 1 20 20 LEU HB3 H 1 1.348 0.008 . 2 . . . . 20 Leu HB3 . 19618 1 276 . 1 1 20 20 LEU HG H 1 1.673 0.002 . 1 . . . . 20 Leu HG . 19618 1 277 . 1 1 20 20 LEU HD11 H 1 0.834 0.003 . 2 . . . . 20 Leu HD11 . 19618 1 278 . 1 1 20 20 LEU HD12 H 1 0.834 0.003 . 2 . . . . 20 Leu HD12 . 19618 1 279 . 1 1 20 20 LEU HD13 H 1 0.834 0.003 . 2 . . . . 20 Leu HD13 . 19618 1 280 . 1 1 20 20 LEU HD21 H 1 0.789 0.003 . 2 . . . . 20 Leu HD21 . 19618 1 281 . 1 1 20 20 LEU HD22 H 1 0.789 0.003 . 2 . . . . 20 Leu HD22 . 19618 1 282 . 1 1 20 20 LEU HD23 H 1 0.789 0.003 . 2 . . . . 20 Leu HD23 . 19618 1 283 . 1 1 20 20 LEU C C 13 178.810 0.200 . 1 . . . . 20 Leu C . 19618 1 284 . 1 1 20 20 LEU CA C 13 56.222 0.200 . 1 . . . . 20 Leu CA . 19618 1 285 . 1 1 20 20 LEU CB C 13 43.053 0.023 . 1 . . . . 20 Leu CB . 19618 1 286 . 1 1 20 20 LEU CG C 13 27.240 0.200 . 1 . . . . 20 Leu CG . 19618 1 287 . 1 1 20 20 LEU CD1 C 13 23.509 0.002 . 2 . . . . 20 Leu CD1 . 19618 1 288 . 1 1 20 20 LEU CD2 C 13 26.154 0.012 . 2 . . . . 20 Leu CD2 . 19618 1 289 . 1 1 20 20 LEU N N 15 117.007 0.030 . 1 . . . . 20 Leu N . 19618 1 290 . 1 1 21 21 GLY H H 1 7.607 0.005 . 1 . . . . 21 Gly H . 19618 1 291 . 1 1 21 21 GLY HA2 H 1 4.209 0.006 . 2 . . . . 21 Gly HA2 . 19618 1 292 . 1 1 21 21 GLY HA3 H 1 4.464 0.009 . 2 . . . . 21 Gly HA3 . 19618 1 293 . 1 1 21 21 GLY C C 13 172.370 0.200 . 1 . . . . 21 Gly C . 19618 1 294 . 1 1 21 21 GLY CA C 13 44.770 0.200 . 1 . . . . 21 Gly CA . 19618 1 295 . 1 1 21 21 GLY N N 15 107.850 0.009 . 1 . . . . 21 Gly N . 19618 1 296 . 1 1 22 22 PRO HA H 1 4.106 0.001 . 1 . . . . 22 Pro HA . 19618 1 297 . 1 1 22 22 PRO HB2 H 1 2.077 0.003 . 1 . . . . 22 Pro HB2 . 19618 1 298 . 1 1 22 22 PRO HG2 H 1 2.215 0.003 . 2 . . . . 22 Pro HG2 . 19618 1 299 . 1 1 22 22 PRO HG3 H 1 1.949 0.003 . 2 . . . . 22 Pro HG3 . 19618 1 300 . 1 1 22 22 PRO HD2 H 1 4.040 0.003 . 2 . . . . 22 Pro HD2 . 19618 1 301 . 1 1 22 22 PRO HD3 H 1 3.548 0.003 . 2 . . . . 22 Pro HD3 . 19618 1 302 . 1 1 22 22 PRO C C 13 176.860 0.200 . 1 . . . . 22 Pro C . 19618 1 303 . 1 1 22 22 PRO CA C 13 65.320 0.019 . 1 . . . . 22 Pro CA . 19618 1 304 . 1 1 22 22 PRO CB C 13 32.190 0.200 . 1 . . . . 22 Pro CB . 19618 1 305 . 1 1 22 22 PRO CG C 13 27.587 0.016 . 1 . . . . 22 Pro CG . 19618 1 306 . 1 1 22 22 PRO CD C 13 50.075 0.007 . 1 . . . . 22 Pro CD . 19618 1 307 . 1 1 23 23 GLN H H 1 8.376 0.005 . 1 . . . . 23 Gln H . 19618 1 308 . 1 1 23 23 GLN HA H 1 4.219 0.002 . 1 . . . . 23 Gln HA . 19618 1 309 . 1 1 23 23 GLN HB2 H 1 2.122 0.002 . 1 . . . . 23 Gln HB2 . 19618 1 310 . 1 1 23 23 GLN HG2 H 1 2.463 0.002 . 1 . . . . 23 Gln HG2 . 19618 1 311 . 1 1 23 23 GLN HE21 H 1 6.908 0.003 . 1 . . . . 23 Gln HE21 . 19618 1 312 . 1 1 23 23 GLN HE22 H 1 7.683 0.012 . 1 . . . . 23 Gln HE22 . 19618 1 313 . 1 1 23 23 GLN C C 13 178.010 0.200 . 1 . . . . 23 Gln C . 19618 1 314 . 1 1 23 23 GLN CA C 13 58.603 0.020 . 1 . . . . 23 Gln CA . 19618 1 315 . 1 1 23 23 GLN CB C 13 28.644 0.002 . 1 . . . . 23 Gln CB . 19618 1 316 . 1 1 23 23 GLN CG C 13 34.558 0.023 . 1 . . . . 23 Gln CG . 19618 1 317 . 1 1 23 23 GLN N N 15 115.222 0.061 . 1 . . . . 23 Gln N . 19618 1 318 . 1 1 23 23 GLN NE2 N 15 112.755 0.049 . 1 . . . . 23 Gln NE2 . 19618 1 319 . 1 1 24 24 ARG H H 1 7.768 0.003 . 1 . . . . 24 Arg H . 19618 1 320 . 1 1 24 24 ARG HA H 1 4.367 0.002 . 1 . . . . 24 Arg HA . 19618 1 321 . 1 1 24 24 ARG HB2 H 1 1.810 0.150 . 2 . . . . 24 Arg HB2 . 19618 1 322 . 1 1 24 24 ARG HB3 H 1 1.890 0.001 . 2 . . . . 24 Arg HB3 . 19618 1 323 . 1 1 24 24 ARG HG2 H 1 1.833 0.002 . 2 . . . . 24 Arg HG2 . 19618 1 324 . 1 1 24 24 ARG HG3 H 1 1.687 0.003 . 2 . . . . 24 Arg HG3 . 19618 1 325 . 1 1 24 24 ARG HD2 H 1 3.275 0.003 . 2 . . . . 24 Arg HD2 . 19618 1 326 . 1 1 24 24 ARG HD3 H 1 3.271 0.005 . 2 . . . . 24 Arg HD3 . 19618 1 327 . 1 1 24 24 ARG HE H 1 7.565 0.002 . 1 . . . . 24 Arg HE . 19618 1 328 . 1 1 24 24 ARG C C 13 177.230 0.200 . 1 . . . . 24 Arg C . 19618 1 329 . 1 1 24 24 ARG CA C 13 56.644 0.006 . 1 . . . . 24 Arg CA . 19618 1 330 . 1 1 24 24 ARG CB C 13 31.651 0.012 . 1 . . . . 24 Arg CB . 19618 1 331 . 1 1 24 24 ARG CG C 13 28.050 0.001 . 1 . . . . 24 Arg CG . 19618 1 332 . 1 1 24 24 ARG CD C 13 43.610 0.016 . 1 . . . . 24 Arg CD . 19618 1 333 . 1 1 24 24 ARG N N 15 116.938 0.005 . 1 . . . . 24 Arg N . 19618 1 334 . 1 1 24 24 ARG NE N 15 84.932 0.038 . 1 . . . . 24 Arg NE . 19618 1 335 . 1 1 25 25 LEU H H 1 7.775 0.003 . 1 . . . . 25 Leu H . 19618 1 336 . 1 1 25 25 LEU HA H 1 4.193 0.004 . 1 . . . . 25 Leu HA . 19618 1 337 . 1 1 25 25 LEU HB2 H 1 1.725 0.002 . 1 . . . . 25 Leu HB2 . 19618 1 338 . 1 1 25 25 LEU HG H 1 1.644 0.150 . 1 . . . . 25 Leu HG . 19618 1 339 . 1 1 25 25 LEU HD11 H 1 0.770 0.002 . 2 . . . . 25 Leu HD11 . 19618 1 340 . 1 1 25 25 LEU HD12 H 1 0.770 0.002 . 2 . . . . 25 Leu HD12 . 19618 1 341 . 1 1 25 25 LEU HD13 H 1 0.770 0.002 . 2 . . . . 25 Leu HD13 . 19618 1 342 . 1 1 25 25 LEU HD21 H 1 0.823 0.005 . 2 . . . . 25 Leu HD21 . 19618 1 343 . 1 1 25 25 LEU HD22 H 1 0.823 0.005 . 2 . . . . 25 Leu HD22 . 19618 1 344 . 1 1 25 25 LEU HD23 H 1 0.823 0.005 . 2 . . . . 25 Leu HD23 . 19618 1 345 . 1 1 25 25 LEU CA C 13 59.744 0.200 . 1 . . . . 25 Leu CA . 19618 1 346 . 1 1 25 25 LEU CB C 13 39.884 0.051 . 1 . . . . 25 Leu CB . 19618 1 347 . 1 1 25 25 LEU CG C 13 27.260 0.200 . 1 . . . . 25 Leu CG . 19618 1 348 . 1 1 25 25 LEU CD1 C 13 25.435 0.006 . 2 . . . . 25 Leu CD1 . 19618 1 349 . 1 1 25 25 LEU CD2 C 13 24.585 0.067 . 2 . . . . 25 Leu CD2 . 19618 1 350 . 1 1 25 25 LEU N N 15 120.454 0.028 . 1 . . . . 25 Leu N . 19618 1 351 . 1 1 26 26 PRO HA H 1 4.126 0.003 . 1 . . . . 26 Pro HA . 19618 1 352 . 1 1 26 26 PRO HB2 H 1 1.999 0.004 . 2 . . . . 26 Pro HB2 . 19618 1 353 . 1 1 26 26 PRO HB3 H 1 2.254 0.150 . 2 . . . . 26 Pro HB3 . 19618 1 354 . 1 1 26 26 PRO HG2 H 1 2.267 0.150 . 2 . . . . 26 Pro HG2 . 19618 1 355 . 1 1 26 26 PRO HG3 H 1 1.842 0.002 . 2 . . . . 26 Pro HG3 . 19618 1 356 . 1 1 26 26 PRO HD2 H 1 3.654 0.005 . 2 . . . . 26 Pro HD2 . 19618 1 357 . 1 1 26 26 PRO HD3 H 1 3.653 0.005 . 2 . . . . 26 Pro HD3 . 19618 1 358 . 1 1 26 26 PRO C C 13 178.210 0.200 . 1 . . . . 26 Pro C . 19618 1 359 . 1 1 26 26 PRO CA C 13 66.882 0.010 . 1 . . . . 26 Pro CA . 19618 1 360 . 1 1 26 26 PRO CB C 13 31.135 0.200 . 1 . . . . 26 Pro CB . 19618 1 361 . 1 1 26 26 PRO CG C 13 29.030 0.200 . 1 . . . . 26 Pro CG . 19618 1 362 . 1 1 26 26 PRO CD C 13 50.473 0.001 . 1 . . . . 26 Pro CD . 19618 1 363 . 1 1 27 27 VAL H H 1 6.993 0.004 . 1 . . . . 27 Val H . 19618 1 364 . 1 1 27 27 VAL HA H 1 3.744 0.002 . 1 . . . . 27 Val HA . 19618 1 365 . 1 1 27 27 VAL HB H 1 2.175 0.005 . 1 . . . . 27 Val HB . 19618 1 366 . 1 1 27 27 VAL HG11 H 1 0.994 0.004 . 2 . . . . 27 Val HG11 . 19618 1 367 . 1 1 27 27 VAL HG12 H 1 0.994 0.004 . 2 . . . . 27 Val HG12 . 19618 1 368 . 1 1 27 27 VAL HG13 H 1 0.994 0.004 . 2 . . . . 27 Val HG13 . 19618 1 369 . 1 1 27 27 VAL HG21 H 1 1.089 0.001 . 2 . . . . 27 Val HG21 . 19618 1 370 . 1 1 27 27 VAL HG22 H 1 1.089 0.001 . 2 . . . . 27 Val HG22 . 19618 1 371 . 1 1 27 27 VAL HG23 H 1 1.089 0.001 . 2 . . . . 27 Val HG23 . 19618 1 372 . 1 1 27 27 VAL C C 13 178.710 0.200 . 1 . . . . 27 Val C . 19618 1 373 . 1 1 27 27 VAL CA C 13 65.618 0.007 . 1 . . . . 27 Val CA . 19618 1 374 . 1 1 27 27 VAL CB C 13 31.887 0.060 . 1 . . . . 27 Val CB . 19618 1 375 . 1 1 27 27 VAL CG1 C 13 21.269 0.012 . 2 . . . . 27 Val CG1 . 19618 1 376 . 1 1 27 27 VAL CG2 C 13 22.437 0.005 . 2 . . . . 27 Val CG2 . 19618 1 377 . 1 1 27 27 VAL N N 15 116.120 0.034 . 1 . . . . 27 Val N . 19618 1 378 . 1 1 28 28 ALA H H 1 8.105 0.002 . 1 . . . . 28 Ala H . 19618 1 379 . 1 1 28 28 ALA HA H 1 4.038 0.005 . 1 . . . . 28 Ala HA . 19618 1 380 . 1 1 28 28 ALA HB1 H 1 1.448 0.002 . 1 . . . . 28 Ala HB1 . 19618 1 381 . 1 1 28 28 ALA HB2 H 1 1.448 0.002 . 1 . . . . 28 Ala HB2 . 19618 1 382 . 1 1 28 28 ALA HB3 H 1 1.448 0.002 . 1 . . . . 28 Ala HB3 . 19618 1 383 . 1 1 28 28 ALA C C 13 178.950 0.200 . 1 . . . . 28 Ala C . 19618 1 384 . 1 1 28 28 ALA CA C 13 55.500 0.200 . 1 . . . . 28 Ala CA . 19618 1 385 . 1 1 28 28 ALA CB C 13 18.822 0.012 . 1 . . . . 28 Ala CB . 19618 1 386 . 1 1 28 28 ALA N N 15 125.627 0.034 . 1 . . . . 28 Ala N . 19618 1 387 . 1 1 29 29 VAL H H 1 8.255 0.003 . 1 . . . . 29 Val H . 19618 1 388 . 1 1 29 29 VAL HA H 1 3.455 0.002 . 1 . . . . 29 Val HA . 19618 1 389 . 1 1 29 29 VAL HB H 1 2.158 0.001 . 1 . . . . 29 Val HB . 19618 1 390 . 1 1 29 29 VAL HG11 H 1 0.941 0.001 . 2 . . . . 29 Val HG11 . 19618 1 391 . 1 1 29 29 VAL HG12 H 1 0.941 0.001 . 2 . . . . 29 Val HG12 . 19618 1 392 . 1 1 29 29 VAL HG13 H 1 0.941 0.001 . 2 . . . . 29 Val HG13 . 19618 1 393 . 1 1 29 29 VAL HG21 H 1 1.031 0.003 . 2 . . . . 29 Val HG21 . 19618 1 394 . 1 1 29 29 VAL HG22 H 1 1.031 0.003 . 2 . . . . 29 Val HG22 . 19618 1 395 . 1 1 29 29 VAL HG23 H 1 1.031 0.003 . 2 . . . . 29 Val HG23 . 19618 1 396 . 1 1 29 29 VAL C C 13 177.170 0.200 . 1 . . . . 29 Val C . 19618 1 397 . 1 1 29 29 VAL CA C 13 67.088 0.003 . 1 . . . . 29 Val CA . 19618 1 398 . 1 1 29 29 VAL CB C 13 31.740 0.200 . 1 . . . . 29 Val CB . 19618 1 399 . 1 1 29 29 VAL CG1 C 13 21.773 0.200 . 2 . . . . 29 Val CG1 . 19618 1 400 . 1 1 29 29 VAL CG2 C 13 23.148 0.041 . 2 . . . . 29 Val CG2 . 19618 1 401 . 1 1 29 29 VAL N N 15 117.111 0.028 . 1 . . . . 29 Val N . 19618 1 402 . 1 1 30 30 LYS H H 1 7.887 0.011 . 1 . . . . 30 Lys H . 19618 1 403 . 1 1 30 30 LYS HA H 1 3.897 0.001 . 1 . . . . 30 Lys HA . 19618 1 404 . 1 1 30 30 LYS HB2 H 1 1.927 0.001 . 2 . . . . 30 Lys HB2 . 19618 1 405 . 1 1 30 30 LYS HB3 H 1 1.929 0.003 . 2 . . . . 30 Lys HB3 . 19618 1 406 . 1 1 30 30 LYS HG2 H 1 1.634 0.009 . 2 . . . . 30 Lys HG2 . 19618 1 407 . 1 1 30 30 LYS HG3 H 1 1.464 0.002 . 2 . . . . 30 Lys HG3 . 19618 1 408 . 1 1 30 30 LYS HD2 H 1 1.664 0.150 . 1 . . . . 30 Lys HD2 . 19618 1 409 . 1 1 30 30 LYS HE2 H 1 2.951 0.150 . 1 . . . . 30 Lys HE2 . 19618 1 410 . 1 1 30 30 LYS C C 13 179.500 0.200 . 1 . . . . 30 Lys C . 19618 1 411 . 1 1 30 30 LYS CA C 13 60.000 0.200 . 1 . . . . 30 Lys CA . 19618 1 412 . 1 1 30 30 LYS CB C 13 32.000 0.200 . 1 . . . . 30 Lys CB . 19618 1 413 . 1 1 30 30 LYS CG C 13 25.604 0.020 . 1 . . . . 30 Lys CG . 19618 1 414 . 1 1 30 30 LYS CE C 13 42.136 0.200 . 1 . . . . 30 Lys CE . 19618 1 415 . 1 1 30 30 LYS N N 15 119.002 0.054 . 1 . . . . 30 Lys N . 19618 1 416 . 1 1 31 31 THR H H 1 8.149 0.003 . 1 . . . . 31 Thr H . 19618 1 417 . 1 1 31 31 THR HA H 1 3.809 0.003 . 1 . . . . 31 Thr HA . 19618 1 418 . 1 1 31 31 THR HB H 1 4.127 0.007 . 1 . . . . 31 Thr HB . 19618 1 419 . 1 1 31 31 THR HG21 H 1 0.777 0.004 . 1 . . . . 31 Thr HG21 . 19618 1 420 . 1 1 31 31 THR HG22 H 1 0.777 0.004 . 1 . . . . 31 Thr HG22 . 19618 1 421 . 1 1 31 31 THR HG23 H 1 0.777 0.004 . 1 . . . . 31 Thr HG23 . 19618 1 422 . 1 1 31 31 THR CA C 13 66.761 0.003 . 1 . . . . 31 Thr CA . 19618 1 423 . 1 1 31 31 THR CB C 13 68.693 0.005 . 1 . . . . 31 Thr CB . 19618 1 424 . 1 1 31 31 THR CG2 C 13 21.188 0.007 . 1 . . . . 31 Thr CG2 . 19618 1 425 . 1 1 31 31 THR N N 15 118.221 0.065 . 1 . . . . 31 Thr N . 19618 1 426 . 1 1 32 32 VAL H H 1 8.093 0.003 . 1 . . . . 32 Val H . 19618 1 427 . 1 1 32 32 VAL HA H 1 3.405 0.006 . 1 . . . . 32 Val HA . 19618 1 428 . 1 1 32 32 VAL HB H 1 2.072 0.003 . 1 . . . . 32 Val HB . 19618 1 429 . 1 1 32 32 VAL HG11 H 1 0.956 0.004 . 2 . . . . 32 Val HG11 . 19618 1 430 . 1 1 32 32 VAL HG12 H 1 0.956 0.004 . 2 . . . . 32 Val HG12 . 19618 1 431 . 1 1 32 32 VAL HG13 H 1 0.956 0.004 . 2 . . . . 32 Val HG13 . 19618 1 432 . 1 1 32 32 VAL HG21 H 1 0.976 0.003 . 2 . . . . 32 Val HG21 . 19618 1 433 . 1 1 32 32 VAL HG22 H 1 0.976 0.003 . 2 . . . . 32 Val HG22 . 19618 1 434 . 1 1 32 32 VAL HG23 H 1 0.976 0.003 . 2 . . . . 32 Val HG23 . 19618 1 435 . 1 1 32 32 VAL C C 13 177.570 0.200 . 1 . . . . 32 Val C . 19618 1 436 . 1 1 32 32 VAL CA C 13 66.759 0.007 . 1 . . . . 32 Val CA . 19618 1 437 . 1 1 32 32 VAL CB C 13 31.444 0.007 . 1 . . . . 32 Val CB . 19618 1 438 . 1 1 32 32 VAL CG1 C 13 23.380 0.027 . 2 . . . . 32 Val CG1 . 19618 1 439 . 1 1 32 32 VAL CG2 C 13 22.028 0.014 . 2 . . . . 32 Val CG2 . 19618 1 440 . 1 1 32 32 VAL N N 15 121.668 0.033 . 1 . . . . 32 Val N . 19618 1 441 . 1 1 33 33 ALA H H 1 8.594 0.003 . 1 . . . . 33 Ala H . 19618 1 442 . 1 1 33 33 ALA HA H 1 4.014 0.004 . 1 . . . . 33 Ala HA . 19618 1 443 . 1 1 33 33 ALA HB1 H 1 1.517 0.004 . 1 . . . . 33 Ala HB1 . 19618 1 444 . 1 1 33 33 ALA HB2 H 1 1.517 0.004 . 1 . . . . 33 Ala HB2 . 19618 1 445 . 1 1 33 33 ALA HB3 H 1 1.517 0.004 . 1 . . . . 33 Ala HB3 . 19618 1 446 . 1 1 33 33 ALA C C 13 180.040 0.200 . 1 . . . . 33 Ala C . 19618 1 447 . 1 1 33 33 ALA CA C 13 55.855 0.046 . 1 . . . . 33 Ala CA . 19618 1 448 . 1 1 33 33 ALA CB C 13 18.300 0.001 . 1 . . . . 33 Ala CB . 19618 1 449 . 1 1 33 33 ALA N N 15 121.985 0.027 . 1 . . . . 33 Ala N . 19618 1 450 . 1 1 34 34 GLY H H 1 7.888 0.003 . 1 . . . . 34 Gly H . 19618 1 451 . 1 1 34 34 GLY HA2 H 1 4.061 0.002 . 2 . . . . 34 Gly HA2 . 19618 1 452 . 1 1 34 34 GLY HA3 H 1 3.890 0.001 . 2 . . . . 34 Gly HA3 . 19618 1 453 . 1 1 34 34 GLY C C 13 177.230 0.200 . 1 . . . . 34 Gly C . 19618 1 454 . 1 1 34 34 GLY CA C 13 47.276 0.200 . 1 . . . . 34 Gly CA . 19618 1 455 . 1 1 34 34 GLY N N 15 105.193 0.032 . 1 . . . . 34 Gly N . 19618 1 456 . 1 1 35 35 TRP H H 1 8.068 0.003 . 1 . . . . 35 Trp H . 19618 1 457 . 1 1 35 35 TRP HA H 1 4.595 0.004 . 1 . . . . 35 Trp HA . 19618 1 458 . 1 1 35 35 TRP HB2 H 1 3.157 0.008 . 2 . . . . 35 Trp HB2 . 19618 1 459 . 1 1 35 35 TRP HB3 H 1 3.620 0.004 . 2 . . . . 35 Trp HB3 . 19618 1 460 . 1 1 35 35 TRP HD1 H 1 7.233 0.002 . 1 . . . . 35 Trp HD1 . 19618 1 461 . 1 1 35 35 TRP HE1 H 1 10.505 0.004 . 1 . . . . 35 Trp HE1 . 19618 1 462 . 1 1 35 35 TRP HE3 H 1 7.396 0.005 . 1 . . . . 35 Trp HE3 . 19618 1 463 . 1 1 35 35 TRP HZ2 H 1 7.420 0.003 . 1 . . . . 35 Trp HZ2 . 19618 1 464 . 1 1 35 35 TRP HZ3 H 1 6.880 0.004 . 1 . . . . 35 Trp HZ3 . 19618 1 465 . 1 1 35 35 TRP HH2 H 1 7.026 0.002 . 1 . . . . 35 Trp HH2 . 19618 1 466 . 1 1 35 35 TRP C C 13 178.360 0.200 . 1 . . . . 35 Trp C . 19618 1 467 . 1 1 35 35 TRP CA C 13 59.390 0.200 . 1 . . . . 35 Trp CA . 19618 1 468 . 1 1 35 35 TRP CB C 13 29.252 0.038 . 1 . . . . 35 Trp CB . 19618 1 469 . 1 1 35 35 TRP CD1 C 13 125.416 0.013 . 1 . . . . 35 Trp CD1 . 19618 1 470 . 1 1 35 35 TRP CE3 C 13 119.613 0.075 . 1 . . . . 35 Trp CE3 . 19618 1 471 . 1 1 35 35 TRP CZ2 C 13 114.887 0.028 . 1 . . . . 35 Trp CZ2 . 19618 1 472 . 1 1 35 35 TRP CZ3 C 13 120.966 0.200 . 1 . . . . 35 Trp CZ3 . 19618 1 473 . 1 1 35 35 TRP CH2 C 13 123.816 0.053 . 1 . . . . 35 Trp CH2 . 19618 1 474 . 1 1 35 35 TRP N N 15 124.792 0.026 . 1 . . . . 35 Trp N . 19618 1 475 . 1 1 35 35 TRP NE1 N 15 129.869 0.029 . 1 . . . . 35 Trp NE1 . 19618 1 476 . 1 1 36 36 ILE H H 1 8.549 0.006 . 1 . . . . 36 Ile H . 19618 1 477 . 1 1 36 36 ILE HA H 1 3.735 0.003 . 1 . . . . 36 Ile HA . 19618 1 478 . 1 1 36 36 ILE HB H 1 2.094 0.003 . 1 . . . . 36 Ile HB . 19618 1 479 . 1 1 36 36 ILE HG12 H 1 1.237 0.003 . 2 . . . . 36 Ile HG12 . 19618 1 480 . 1 1 36 36 ILE HG13 H 1 1.897 0.012 . 2 . . . . 36 Ile HG13 . 19618 1 481 . 1 1 36 36 ILE HG21 H 1 0.962 0.003 . 1 . . . . 36 Ile HG21 . 19618 1 482 . 1 1 36 36 ILE HG22 H 1 0.962 0.003 . 1 . . . . 36 Ile HG22 . 19618 1 483 . 1 1 36 36 ILE HG23 H 1 0.962 0.003 . 1 . . . . 36 Ile HG23 . 19618 1 484 . 1 1 36 36 ILE HD11 H 1 0.863 0.003 . 1 . . . . 36 Ile HD11 . 19618 1 485 . 1 1 36 36 ILE HD12 H 1 0.863 0.003 . 1 . . . . 36 Ile HD12 . 19618 1 486 . 1 1 36 36 ILE HD13 H 1 0.863 0.003 . 1 . . . . 36 Ile HD13 . 19618 1 487 . 1 1 36 36 ILE C C 13 178.080 0.200 . 1 . . . . 36 Ile C . 19618 1 488 . 1 1 36 36 ILE CA C 13 65.580 0.031 . 1 . . . . 36 Ile CA . 19618 1 489 . 1 1 36 36 ILE CB C 13 37.449 0.022 . 1 . . . . 36 Ile CB . 19618 1 490 . 1 1 36 36 ILE CG1 C 13 29.481 0.013 . 1 . . . . 36 Ile CG1 . 19618 1 491 . 1 1 36 36 ILE CG2 C 13 17.530 0.016 . 1 . . . . 36 Ile CG2 . 19618 1 492 . 1 1 36 36 ILE CD1 C 13 13.406 0.001 . 1 . . . . 36 Ile CD1 . 19618 1 493 . 1 1 36 36 ILE N N 15 119.784 0.014 . 1 . . . . 36 Ile N . 19618 1 494 . 1 1 37 37 ARG H H 1 8.258 0.005 . 1 . . . . 37 Arg H . 19618 1 495 . 1 1 37 37 ARG HA H 1 4.021 0.004 . 1 . . . . 37 Arg HA . 19618 1 496 . 1 1 37 37 ARG HB2 H 1 2.008 0.003 . 1 . . . . 37 Arg HB2 . 19618 1 497 . 1 1 37 37 ARG HG2 H 1 1.685 0.004 . 2 . . . . 37 Arg HG2 . 19618 1 498 . 1 1 37 37 ARG HG3 H 1 1.907 0.003 . 2 . . . . 37 Arg HG3 . 19618 1 499 . 1 1 37 37 ARG HD2 H 1 3.224 0.003 . 1 . . . . 37 Arg HD2 . 19618 1 500 . 1 1 37 37 ARG HE H 1 7.498 0.002 . 1 . . . . 37 Arg HE . 19618 1 501 . 1 1 37 37 ARG C C 13 179.390 0.200 . 1 . . . . 37 Arg C . 19618 1 502 . 1 1 37 37 ARG CA C 13 60.259 0.017 . 1 . . . . 37 Arg CA . 19618 1 503 . 1 1 37 37 ARG CB C 13 30.203 0.020 . 1 . . . . 37 Arg CB . 19618 1 504 . 1 1 37 37 ARG CG C 13 28.038 0.037 . 1 . . . . 37 Arg CG . 19618 1 505 . 1 1 37 37 ARG CD C 13 43.724 0.077 . 1 . . . . 37 Arg CD . 19618 1 506 . 1 1 37 37 ARG N N 15 119.567 0.056 . 1 . . . . 37 Arg N . 19618 1 507 . 1 1 37 37 ARG NE N 15 85.452 0.101 . 1 . . . . 37 Arg NE . 19618 1 508 . 1 1 38 38 ALA H H 1 8.027 0.006 . 1 . . . . 38 Ala H . 19618 1 509 . 1 1 38 38 ALA HA H 1 4.247 0.004 . 1 . . . . 38 Ala HA . 19618 1 510 . 1 1 38 38 ALA HB1 H 1 1.599 0.002 . 1 . . . . 38 Ala HB1 . 19618 1 511 . 1 1 38 38 ALA HB2 H 1 1.599 0.002 . 1 . . . . 38 Ala HB2 . 19618 1 512 . 1 1 38 38 ALA HB3 H 1 1.599 0.002 . 1 . . . . 38 Ala HB3 . 19618 1 513 . 1 1 38 38 ALA C C 13 180.260 0.200 . 1 . . . . 38 Ala C . 19618 1 514 . 1 1 38 38 ALA CA C 13 55.138 0.028 . 1 . . . . 38 Ala CA . 19618 1 515 . 1 1 38 38 ALA CB C 13 18.543 0.020 . 1 . . . . 38 Ala CB . 19618 1 516 . 1 1 38 38 ALA N N 15 122.568 0.033 . 1 . . . . 38 Ala N . 19618 1 517 . 1 1 39 39 LEU H H 1 8.505 0.004 . 1 . . . . 39 Leu H . 19618 1 518 . 1 1 39 39 LEU HA H 1 4.097 0.003 . 1 . . . . 39 Leu HA . 19618 1 519 . 1 1 39 39 LEU HB2 H 1 1.953 0.002 . 2 . . . . 39 Leu HB2 . 19618 1 520 . 1 1 39 39 LEU HB3 H 1 1.720 0.004 . 2 . . . . 39 Leu HB3 . 19618 1 521 . 1 1 39 39 LEU HG H 1 1.952 0.001 . 1 . . . . 39 Leu HG . 19618 1 522 . 1 1 39 39 LEU HD11 H 1 0.945 0.007 . 1 . . . . 39 Leu HD11 . 19618 1 523 . 1 1 39 39 LEU HD12 H 1 0.945 0.007 . 1 . . . . 39 Leu HD12 . 19618 1 524 . 1 1 39 39 LEU HD13 H 1 0.945 0.007 . 1 . . . . 39 Leu HD13 . 19618 1 525 . 1 1 39 39 LEU C C 13 178.620 0.200 . 1 . . . . 39 Leu C . 19618 1 526 . 1 1 39 39 LEU CA C 13 58.335 0.200 . 1 . . . . 39 Leu CA . 19618 1 527 . 1 1 39 39 LEU CB C 13 41.864 0.200 . 1 . . . . 39 Leu CB . 19618 1 528 . 1 1 39 39 LEU CG C 13 27.369 0.005 . 1 . . . . 39 Leu CG . 19618 1 529 . 1 1 39 39 LEU CD1 C 13 24.426 0.200 . 1 . . . . 39 Leu CD1 . 19618 1 530 . 1 1 39 39 LEU N N 15 120.266 0.048 . 1 . . . . 39 Leu N . 19618 1 531 . 1 1 40 40 ARG H H 1 8.511 0.004 . 1 . . . . 40 Arg H . 19618 1 532 . 1 1 40 40 ARG HA H 1 4.034 0.003 . 1 . . . . 40 Arg HA . 19618 1 533 . 1 1 40 40 ARG HB2 H 1 2.025 0.007 . 1 . . . . 40 Arg HB2 . 19618 1 534 . 1 1 40 40 ARG HG2 H 1 1.912 0.003 . 2 . . . . 40 Arg HG2 . 19618 1 535 . 1 1 40 40 ARG HG3 H 1 1.686 0.005 . 2 . . . . 40 Arg HG3 . 19618 1 536 . 1 1 40 40 ARG HD2 H 1 3.223 0.015 . 2 . . . . 40 Arg HD2 . 19618 1 537 . 1 1 40 40 ARG HD3 H 1 3.207 0.004 . 2 . . . . 40 Arg HD3 . 19618 1 538 . 1 1 40 40 ARG HE H 1 7.676 0.002 . 1 . . . . 40 Arg HE . 19618 1 539 . 1 1 40 40 ARG C C 13 179.250 0.200 . 1 . . . . 40 Arg C . 19618 1 540 . 1 1 40 40 ARG CA C 13 60.042 0.007 . 1 . . . . 40 Arg CA . 19618 1 541 . 1 1 40 40 ARG CB C 13 30.183 0.021 . 1 . . . . 40 Arg CB . 19618 1 542 . 1 1 40 40 ARG CG C 13 28.212 0.051 . 1 . . . . 40 Arg CG . 19618 1 543 . 1 1 40 40 ARG CD C 13 43.760 0.200 . 1 . . . . 40 Arg CD . 19618 1 544 . 1 1 40 40 ARG N N 15 119.303 0.043 . 1 . . . . 40 Arg N . 19618 1 545 . 1 1 40 40 ARG NE N 15 85.448 0.026 . 1 . . . . 40 Arg NE . 19618 1 546 . 1 1 41 41 SER H H 1 8.053 0.003 . 1 . . . . 41 Ser H . 19618 1 547 . 1 1 41 41 SER HA H 1 4.073 0.002 . 1 . . . . 41 Ser HA . 19618 1 548 . 1 1 41 41 SER HB2 H 1 4.348 0.001 . 1 . . . . 41 Ser HB2 . 19618 1 549 . 1 1 41 41 SER C C 13 177.200 0.200 . 1 . . . . 41 Ser C . 19618 1 550 . 1 1 41 41 SER CA C 13 63.101 0.003 . 1 . . . . 41 Ser CA . 19618 1 551 . 1 1 41 41 SER CB C 13 61.614 0.028 . 1 . . . . 41 Ser CB . 19618 1 552 . 1 1 41 41 SER N N 15 115.746 0.028 . 1 . . . . 41 Ser N . 19618 1 553 . 1 1 42 42 LEU H H 1 8.258 0.002 . 1 . . . . 42 Leu H . 19618 1 554 . 1 1 42 42 LEU HA H 1 4.252 0.011 . 1 . . . . 42 Leu HA . 19618 1 555 . 1 1 42 42 LEU HB2 H 1 1.842 0.002 . 1 . . . . 42 Leu HB2 . 19618 1 556 . 1 1 42 42 LEU HB3 H 1 1.842 0.002 . 1 . . . . 42 Leu HB3 . 19618 1 557 . 1 1 42 42 LEU HG H 1 1.747 0.001 . 1 . . . . 42 Leu HG . 19618 1 558 . 1 1 42 42 LEU HD11 H 1 0.932 0.002 . 1 . . . . 42 Leu HD11 . 19618 1 559 . 1 1 42 42 LEU HD12 H 1 0.932 0.002 . 1 . . . . 42 Leu HD12 . 19618 1 560 . 1 1 42 42 LEU HD13 H 1 0.932 0.002 . 1 . . . . 42 Leu HD13 . 19618 1 561 . 1 1 42 42 LEU C C 13 178.250 0.200 . 1 . . . . 42 Leu C . 19618 1 562 . 1 1 42 42 LEU CA C 13 58.569 0.001 . 1 . . . . 42 Leu CA . 19618 1 563 . 1 1 42 42 LEU CB C 13 42.103 0.012 . 1 . . . . 42 Leu CB . 19618 1 564 . 1 1 42 42 LEU CG C 13 27.285 0.200 . 1 . . . . 42 Leu CG . 19618 1 565 . 1 1 42 42 LEU CD1 C 13 25.140 0.006 . 1 . . . . 42 Leu CD1 . 19618 1 566 . 1 1 42 42 LEU N N 15 124.115 0.013 . 1 . . . . 42 Leu N . 19618 1 567 . 1 1 43 43 ALA H H 1 8.549 0.009 . 1 . . . . 43 Ala H . 19618 1 568 . 1 1 43 43 ALA HA H 1 3.948 0.002 . 1 . . . . 43 Ala HA . 19618 1 569 . 1 1 43 43 ALA HB1 H 1 1.535 0.004 . 1 . . . . 43 Ala HB1 . 19618 1 570 . 1 1 43 43 ALA HB2 H 1 1.535 0.004 . 1 . . . . 43 Ala HB2 . 19618 1 571 . 1 1 43 43 ALA HB3 H 1 1.535 0.004 . 1 . . . . 43 Ala HB3 . 19618 1 572 . 1 1 43 43 ALA C C 13 179.570 0.200 . 1 . . . . 43 Ala C . 19618 1 573 . 1 1 43 43 ALA CA C 13 55.853 0.008 . 1 . . . . 43 Ala CA . 19618 1 574 . 1 1 43 43 ALA CB C 13 18.348 0.026 . 1 . . . . 43 Ala CB . 19618 1 575 . 1 1 43 43 ALA N N 15 121.163 0.014 . 1 . . . . 43 Ala N . 19618 1 576 . 1 1 44 44 THR H H 1 8.040 0.004 . 1 . . . . 44 Thr H . 19618 1 577 . 1 1 44 44 THR HA H 1 4.008 0.003 . 1 . . . . 44 Thr HA . 19618 1 578 . 1 1 44 44 THR HB H 1 4.402 0.002 . 1 . . . . 44 Thr HB . 19618 1 579 . 1 1 44 44 THR HG1 H 1 4.644 0.003 . 1 . . . . 44 Thr HG1 . 19618 1 580 . 1 1 44 44 THR HG21 H 1 1.307 0.005 . 1 . . . . 44 Thr HG21 . 19618 1 581 . 1 1 44 44 THR HG22 H 1 1.307 0.005 . 1 . . . . 44 Thr HG22 . 19618 1 582 . 1 1 44 44 THR HG23 H 1 1.307 0.005 . 1 . . . . 44 Thr HG23 . 19618 1 583 . 1 1 44 44 THR C C 13 176.200 0.200 . 1 . . . . 44 Thr C . 19618 1 584 . 1 1 44 44 THR CA C 13 66.735 0.021 . 1 . . . . 44 Thr CA . 19618 1 585 . 1 1 44 44 THR CB C 13 69.010 0.036 . 1 . . . . 44 Thr CB . 19618 1 586 . 1 1 44 44 THR CG2 C 13 21.980 0.021 . 1 . . . . 44 Thr CG2 . 19618 1 587 . 1 1 44 44 THR N N 15 114.598 0.020 . 1 . . . . 44 Thr N . 19618 1 588 . 1 1 45 45 THR H H 1 8.080 0.003 . 1 . . . . 45 Thr H . 19618 1 589 . 1 1 45 45 THR HA H 1 4.054 0.003 . 1 . . . . 45 Thr HA . 19618 1 590 . 1 1 45 45 THR HB H 1 4.431 0.004 . 1 . . . . 45 Thr HB . 19618 1 591 . 1 1 45 45 THR HG21 H 1 1.290 0.003 . 1 . . . . 45 Thr HG21 . 19618 1 592 . 1 1 45 45 THR HG22 H 1 1.290 0.003 . 1 . . . . 45 Thr HG22 . 19618 1 593 . 1 1 45 45 THR HG23 H 1 1.290 0.003 . 1 . . . . 45 Thr HG23 . 19618 1 594 . 1 1 45 45 THR C C 13 176.640 0.200 . 1 . . . . 45 Thr C . 19618 1 595 . 1 1 45 45 THR CA C 13 67.002 0.004 . 1 . . . . 45 Thr CA . 19618 1 596 . 1 1 45 45 THR CB C 13 68.934 0.028 . 1 . . . . 45 Thr CB . 19618 1 597 . 1 1 45 45 THR CG2 C 13 21.929 0.002 . 1 . . . . 45 Thr CG2 . 19618 1 598 . 1 1 45 45 THR N N 15 120.267 0.033 . 1 . . . . 45 Thr N . 19618 1 599 . 1 1 46 46 VAL H H 1 8.476 0.003 . 1 . . . . 46 Val H . 19618 1 600 . 1 1 46 46 VAL HA H 1 3.617 0.004 . 1 . . . . 46 Val HA . 19618 1 601 . 1 1 46 46 VAL HB H 1 2.195 0.002 . 1 . . . . 46 Val HB . 19618 1 602 . 1 1 46 46 VAL HG11 H 1 0.923 0.008 . 2 . . . . 46 Val HG11 . 19618 1 603 . 1 1 46 46 VAL HG12 H 1 0.923 0.008 . 2 . . . . 46 Val HG12 . 19618 1 604 . 1 1 46 46 VAL HG13 H 1 0.923 0.008 . 2 . . . . 46 Val HG13 . 19618 1 605 . 1 1 46 46 VAL HG21 H 1 1.055 0.003 . 2 . . . . 46 Val HG21 . 19618 1 606 . 1 1 46 46 VAL HG22 H 1 1.055 0.003 . 2 . . . . 46 Val HG22 . 19618 1 607 . 1 1 46 46 VAL HG23 H 1 1.055 0.003 . 2 . . . . 46 Val HG23 . 19618 1 608 . 1 1 46 46 VAL C C 13 177.500 0.200 . 1 . . . . 46 Val C . 19618 1 609 . 1 1 46 46 VAL CA C 13 67.031 0.072 . 1 . . . . 46 Val CA . 19618 1 610 . 1 1 46 46 VAL CB C 13 31.753 0.004 . 1 . . . . 46 Val CB . 19618 1 611 . 1 1 46 46 VAL CG1 C 13 21.834 0.020 . 2 . . . . 46 Val CG1 . 19618 1 612 . 1 1 46 46 VAL CG2 C 13 23.126 0.006 . 2 . . . . 46 Val CG2 . 19618 1 613 . 1 1 46 46 VAL N N 15 121.276 0.029 . 1 . . . . 46 Val N . 19618 1 614 . 1 1 47 47 GLN H H 1 8.330 0.005 . 1 . . . . 47 Gln H . 19618 1 615 . 1 1 47 47 GLN HA H 1 3.917 0.002 . 1 . . . . 47 Gln HA . 19618 1 616 . 1 1 47 47 GLN HB2 H 1 2.227 0.004 . 1 . . . . 47 Gln HB2 . 19618 1 617 . 1 1 47 47 GLN HG2 H 1 2.357 0.022 . 2 . . . . 47 Gln HG2 . 19618 1 618 . 1 1 47 47 GLN HG3 H 1 2.391 0.004 . 2 . . . . 47 Gln HG3 . 19618 1 619 . 1 1 47 47 GLN HE21 H 1 6.768 0.006 . 1 . . . . 47 Gln HE21 . 19618 1 620 . 1 1 47 47 GLN HE22 H 1 7.234 0.003 . 1 . . . . 47 Gln HE22 . 19618 1 621 . 1 1 47 47 GLN C C 13 178.340 0.200 . 1 . . . . 47 Gln C . 19618 1 622 . 1 1 47 47 GLN CA C 13 60.098 0.027 . 1 . . . . 47 Gln CA . 19618 1 623 . 1 1 47 47 GLN CB C 13 28.779 0.010 . 1 . . . . 47 Gln CB . 19618 1 624 . 1 1 47 47 GLN CG C 13 34.380 0.018 . 1 . . . . 47 Gln CG . 19618 1 625 . 1 1 47 47 GLN N N 15 119.492 0.028 . 1 . . . . 47 Gln N . 19618 1 626 . 1 1 47 47 GLN NE2 N 15 110.009 0.019 . 1 . . . . 47 Gln NE2 . 19618 1 627 . 1 1 48 48 ASN H H 1 8.353 0.003 . 1 . . . . 48 Asn H . 19618 1 628 . 1 1 48 48 ASN HA H 1 4.528 0.004 . 1 . . . . 48 Asn HA . 19618 1 629 . 1 1 48 48 ASN HB2 H 1 2.894 0.004 . 2 . . . . 48 Asn HB2 . 19618 1 630 . 1 1 48 48 ASN HB3 H 1 3.023 0.003 . 2 . . . . 48 Asn HB3 . 19618 1 631 . 1 1 48 48 ASN HD21 H 1 6.877 0.006 . 1 . . . . 48 Asn HD21 . 19618 1 632 . 1 1 48 48 ASN HD22 H 1 7.642 0.003 . 1 . . . . 48 Asn HD22 . 19618 1 633 . 1 1 48 48 ASN C C 13 177.600 0.200 . 1 . . . . 48 Asn C . 19618 1 634 . 1 1 48 48 ASN CA C 13 55.915 0.004 . 1 . . . . 48 Asn CA . 19618 1 635 . 1 1 48 48 ASN CB C 13 38.465 0.027 . 1 . . . . 48 Asn CB . 19618 1 636 . 1 1 48 48 ASN N N 15 118.420 0.015 . 1 . . . . 48 Asn N . 19618 1 637 . 1 1 48 48 ASN ND2 N 15 112.596 0.029 . 1 . . . . 48 Asn ND2 . 19618 1 638 . 1 1 49 49 GLU H H 1 8.243 0.006 . 1 . . . . 49 Glu H . 19618 1 639 . 1 1 49 49 GLU HA H 1 4.213 0.002 . 1 . . . . 49 Glu HA . 19618 1 640 . 1 1 49 49 GLU HB2 H 1 2.182 0.003 . 2 . . . . 49 Glu HB2 . 19618 1 641 . 1 1 49 49 GLU HB3 H 1 2.143 0.001 . 2 . . . . 49 Glu HB3 . 19618 1 642 . 1 1 49 49 GLU HG2 H 1 2.320 0.150 . 2 . . . . 49 Glu HG2 . 19618 1 643 . 1 1 49 49 GLU HG3 H 1 2.349 0.150 . 2 . . . . 49 Glu HG3 . 19618 1 644 . 1 1 49 49 GLU CA C 13 58.040 0.001 . 1 . . . . 49 Glu CA . 19618 1 645 . 1 1 49 49 GLU CB C 13 29.230 0.200 . 1 . . . . 49 Glu CB . 19618 1 646 . 1 1 49 49 GLU CG C 13 35.000 0.200 . 1 . . . . 49 Glu CG . 19618 1 647 . 1 1 49 49 GLU N N 15 119.943 0.010 . 1 . . . . 49 Glu N . 19618 1 648 . 1 1 50 50 LEU H H 1 8.245 0.004 . 1 . . . . 50 Leu H . 19618 1 649 . 1 1 50 50 LEU HA H 1 4.232 0.002 . 1 . . . . 50 Leu HA . 19618 1 650 . 1 1 50 50 LEU HB2 H 1 1.652 0.150 . 2 . . . . 50 Leu HB2 . 19618 1 651 . 1 1 50 50 LEU HB3 H 1 1.605 0.150 . 2 . . . . 50 Leu HB3 . 19618 1 652 . 1 1 50 50 LEU HG H 1 1.818 0.150 . 1 . . . . 50 Leu HG . 19618 1 653 . 1 1 50 50 LEU HD11 H 1 0.875 0.002 . 2 . . . . 50 Leu HD11 . 19618 1 654 . 1 1 50 50 LEU HD12 H 1 0.875 0.002 . 2 . . . . 50 Leu HD12 . 19618 1 655 . 1 1 50 50 LEU HD13 H 1 0.875 0.002 . 2 . . . . 50 Leu HD13 . 19618 1 656 . 1 1 50 50 LEU HD21 H 1 0.850 0.003 . 2 . . . . 50 Leu HD21 . 19618 1 657 . 1 1 50 50 LEU HD22 H 1 0.850 0.003 . 2 . . . . 50 Leu HD22 . 19618 1 658 . 1 1 50 50 LEU HD23 H 1 0.850 0.003 . 2 . . . . 50 Leu HD23 . 19618 1 659 . 1 1 50 50 LEU C C 13 177.820 0.200 . 1 . . . . 50 Leu C . 19618 1 660 . 1 1 50 50 LEU CA C 13 58.200 0.200 . 1 . . . . 50 Leu CA . 19618 1 661 . 1 1 50 50 LEU CB C 13 41.940 0.200 . 1 . . . . 50 Leu CB . 19618 1 662 . 1 1 50 50 LEU CG C 13 27.070 0.200 . 1 . . . . 50 Leu CG . 19618 1 663 . 1 1 50 50 LEU CD1 C 13 25.527 0.015 . 2 . . . . 50 Leu CD1 . 19618 1 664 . 1 1 50 50 LEU CD2 C 13 23.970 0.012 . 2 . . . . 50 Leu CD2 . 19618 1 665 . 1 1 50 50 LEU N N 15 118.881 0.026 . 1 . . . . 50 Leu N . 19618 1 666 . 1 1 51 51 THR H H 1 7.898 0.010 . 1 . . . . 51 Thr H . 19618 1 667 . 1 1 51 51 THR HA H 1 4.095 0.002 . 1 . . . . 51 Thr HA . 19618 1 668 . 1 1 51 51 THR HB H 1 4.386 0.003 . 1 . . . . 51 Thr HB . 19618 1 669 . 1 1 51 51 THR HG21 H 1 1.307 0.003 . 1 . . . . 51 Thr HG21 . 19618 1 670 . 1 1 51 51 THR HG22 H 1 1.307 0.003 . 1 . . . . 51 Thr HG22 . 19618 1 671 . 1 1 51 51 THR HG23 H 1 1.307 0.003 . 1 . . . . 51 Thr HG23 . 19618 1 672 . 1 1 51 51 THR C C 13 175.930 0.200 . 1 . . . . 51 Thr C . 19618 1 673 . 1 1 51 51 THR CA C 13 65.016 0.011 . 1 . . . . 51 Thr CA . 19618 1 674 . 1 1 51 51 THR CB C 13 69.295 0.007 . 1 . . . . 51 Thr CB . 19618 1 675 . 1 1 51 51 THR CG2 C 13 21.930 0.008 . 1 . . . . 51 Thr CG2 . 19618 1 676 . 1 1 51 51 THR N N 15 110.946 0.090 . 1 . . . . 51 Thr N . 19618 1 677 . 1 1 52 52 GLN H H 1 7.726 0.007 . 1 . . . . 52 Gln H . 19618 1 678 . 1 1 52 52 GLN HA H 1 4.259 0.002 . 1 . . . . 52 Gln HA . 19618 1 679 . 1 1 52 52 GLN HB2 H 1 2.178 0.003 . 1 . . . . 52 Gln HB2 . 19618 1 680 . 1 1 52 52 GLN HG2 H 1 2.472 0.004 . 1 . . . . 52 Gln HG2 . 19618 1 681 . 1 1 52 52 GLN HE21 H 1 7.424 0.001 . 1 . . . . 52 Gln HE21 . 19618 1 682 . 1 1 52 52 GLN HE22 H 1 6.810 0.003 . 1 . . . . 52 Gln HE22 . 19618 1 683 . 1 1 52 52 GLN C C 13 177.380 0.200 . 1 . . . . 52 Gln C . 19618 1 684 . 1 1 52 52 GLN CA C 13 57.463 0.025 . 1 . . . . 52 Gln CA . 19618 1 685 . 1 1 52 52 GLN CB C 13 29.239 0.008 . 1 . . . . 52 Gln CB . 19618 1 686 . 1 1 52 52 GLN CG C 13 33.995 0.007 . 1 . . . . 52 Gln CG . 19618 1 687 . 1 1 52 52 GLN N N 15 119.707 0.058 . 1 . . . . 52 Gln N . 19618 1 688 . 1 1 52 52 GLN NE2 N 15 112.407 0.026 . 1 . . . . 52 Gln NE2 . 19618 1 689 . 1 1 53 53 GLU H H 1 8.105 0.003 . 1 . . . . 53 Glu H . 19618 1 690 . 1 1 53 53 GLU HA H 1 4.224 0.002 . 1 . . . . 53 Glu HA . 19618 1 691 . 1 1 53 53 GLU HB3 H 1 2.016 0.002 . 1 . . . . 53 Glu HB3 . 19618 1 692 . 1 1 53 53 GLU HG2 H 1 2.429 0.003 . 2 . . . . 53 Glu HG2 . 19618 1 693 . 1 1 53 53 GLU HG3 H 1 2.334 0.001 . 2 . . . . 53 Glu HG3 . 19618 1 694 . 1 1 53 53 GLU C C 13 177.310 0.200 . 1 . . . . 53 Glu C . 19618 1 695 . 1 1 53 53 GLU CA C 13 57.948 0.200 . 1 . . . . 53 Glu CA . 19618 1 696 . 1 1 53 53 GLU CB C 13 29.262 0.002 . 1 . . . . 53 Glu CB . 19618 1 697 . 1 1 53 53 GLU CG C 13 34.590 0.006 . 1 . . . . 53 Glu CG . 19618 1 698 . 1 1 53 53 GLU N N 15 119.482 0.017 . 1 . . . . 53 Glu N . 19618 1 699 . 1 1 54 54 LEU H H 1 7.994 0.002 . 1 . . . . 54 Leu H . 19618 1 700 . 1 1 54 54 LEU HA H 1 4.213 0.004 . 1 . . . . 54 Leu HA . 19618 1 701 . 1 1 54 54 LEU HB2 H 1 1.771 0.002 . 2 . . . . 54 Leu HB2 . 19618 1 702 . 1 1 54 54 LEU HB3 H 1 1.581 0.002 . 2 . . . . 54 Leu HB3 . 19618 1 703 . 1 1 54 54 LEU HG H 1 1.749 0.003 . 1 . . . . 54 Leu HG . 19618 1 704 . 1 1 54 54 LEU HD11 H 1 0.851 0.003 . 2 . . . . 54 Leu HD11 . 19618 1 705 . 1 1 54 54 LEU HD12 H 1 0.851 0.003 . 2 . . . . 54 Leu HD12 . 19618 1 706 . 1 1 54 54 LEU HD13 H 1 0.851 0.003 . 2 . . . . 54 Leu HD13 . 19618 1 707 . 1 1 54 54 LEU HD21 H 1 0.891 0.002 . 2 . . . . 54 Leu HD21 . 19618 1 708 . 1 1 54 54 LEU HD22 H 1 0.891 0.002 . 2 . . . . 54 Leu HD22 . 19618 1 709 . 1 1 54 54 LEU HD23 H 1 0.891 0.002 . 2 . . . . 54 Leu HD23 . 19618 1 710 . 1 1 54 54 LEU C C 13 177.080 0.200 . 1 . . . . 54 Leu C . 19618 1 711 . 1 1 54 54 LEU CA C 13 56.203 0.001 . 1 . . . . 54 Leu CA . 19618 1 712 . 1 1 54 54 LEU CB C 13 42.064 0.200 . 1 . . . . 54 Leu CB . 19618 1 713 . 1 1 54 54 LEU CG C 13 27.284 0.036 . 1 . . . . 54 Leu CG . 19618 1 714 . 1 1 54 54 LEU CD1 C 13 24.903 0.200 . 2 . . . . 54 Leu CD1 . 19618 1 715 . 1 1 54 54 LEU CD2 C 13 25.436 0.003 . 2 . . . . 54 Leu CD2 . 19618 1 716 . 1 1 54 54 LEU N N 15 119.233 0.018 . 1 . . . . 54 Leu N . 19618 1 717 . 1 1 55 55 LYS H H 1 7.707 0.002 . 1 . . . . 55 Lys H . 19618 1 718 . 1 1 55 55 LYS HA H 1 4.323 0.002 . 1 . . . . 55 Lys HA . 19618 1 719 . 1 1 55 55 LYS HB2 H 1 1.926 0.150 . 1 . . . . 55 Lys HB2 . 19618 1 720 . 1 1 55 55 LYS HG2 H 1 1.458 0.005 . 2 . . . . 55 Lys HG2 . 19618 1 721 . 1 1 55 55 LYS HG3 H 1 1.540 0.004 . 2 . . . . 55 Lys HG3 . 19618 1 722 . 1 1 55 55 LYS HD2 H 1 1.708 0.005 . 1 . . . . 55 Lys HD2 . 19618 1 723 . 1 1 55 55 LYS HE2 H 1 2.982 0.001 . 1 . . . . 55 Lys HE2 . 19618 1 724 . 1 1 55 55 LYS C C 13 177.460 0.200 . 1 . . . . 55 Lys C . 19618 1 725 . 1 1 55 55 LYS CA C 13 56.621 0.009 . 1 . . . . 55 Lys CA . 19618 1 726 . 1 1 55 55 LYS CB C 13 32.351 0.200 . 1 . . . . 55 Lys CB . 19618 1 727 . 1 1 55 55 LYS CG C 13 25.319 0.038 . 1 . . . . 55 Lys CG . 19618 1 728 . 1 1 55 55 LYS CD C 13 25.263 0.200 . 1 . . . . 55 Lys CD . 19618 1 729 . 1 1 55 55 LYS CE C 13 42.272 0.200 . 1 . . . . 55 Lys CE . 19618 1 730 . 1 1 55 55 LYS N N 15 118.746 0.069 . 1 . . . . 55 Lys N . 19618 1 731 . 1 1 56 56 LEU H H 1 8.144 0.003 . 1 . . . . 56 Leu H . 19618 1 732 . 1 1 56 56 LEU HA H 1 4.245 0.004 . 1 . . . . 56 Leu HA . 19618 1 733 . 1 1 56 56 LEU HB2 H 1 1.714 0.004 . 2 . . . . 56 Leu HB2 . 19618 1 734 . 1 1 56 56 LEU HB3 H 1 1.887 0.005 . 2 . . . . 56 Leu HB3 . 19618 1 735 . 1 1 56 56 LEU HG H 1 1.826 0.002 . 1 . . . . 56 Leu HG . 19618 1 736 . 1 1 56 56 LEU HD11 H 1 0.988 0.002 . 2 . . . . 56 Leu HD11 . 19618 1 737 . 1 1 56 56 LEU HD12 H 1 0.988 0.002 . 2 . . . . 56 Leu HD12 . 19618 1 738 . 1 1 56 56 LEU HD13 H 1 0.988 0.002 . 2 . . . . 56 Leu HD13 . 19618 1 739 . 1 1 56 56 LEU HD21 H 1 0.925 0.003 . 2 . . . . 56 Leu HD21 . 19618 1 740 . 1 1 56 56 LEU HD22 H 1 0.925 0.003 . 2 . . . . 56 Leu HD22 . 19618 1 741 . 1 1 56 56 LEU HD23 H 1 0.925 0.003 . 2 . . . . 56 Leu HD23 . 19618 1 742 . 1 1 56 56 LEU C C 13 178.670 0.200 . 1 . . . . 56 Leu C . 19618 1 743 . 1 1 56 56 LEU CA C 13 56.862 0.005 . 1 . . . . 56 Leu CA . 19618 1 744 . 1 1 56 56 LEU CB C 13 41.920 0.039 . 1 . . . . 56 Leu CB . 19618 1 745 . 1 1 56 56 LEU CG C 13 27.202 0.005 . 1 . . . . 56 Leu CG . 19618 1 746 . 1 1 56 56 LEU CD1 C 13 25.277 0.002 . 2 . . . . 56 Leu CD1 . 19618 1 747 . 1 1 56 56 LEU CD2 C 13 23.874 0.005 . 2 . . . . 56 Leu CD2 . 19618 1 748 . 1 1 56 56 LEU N N 15 121.663 0.029 . 1 . . . . 56 Leu N . 19618 1 749 . 1 1 57 57 GLN H H 1 8.690 0.013 . 1 . . . . 57 Gln H . 19618 1 750 . 1 1 57 57 GLN HA H 1 4.058 0.003 . 1 . . . . 57 Gln HA . 19618 1 751 . 1 1 57 57 GLN HB2 H 1 2.186 0.002 . 2 . . . . 57 Gln HB2 . 19618 1 752 . 1 1 57 57 GLN HB3 H 1 2.093 0.002 . 2 . . . . 57 Gln HB3 . 19618 1 753 . 1 1 57 57 GLN HG2 H 1 2.439 0.004 . 1 . . . . 57 Gln HG2 . 19618 1 754 . 1 1 57 57 GLN HE21 H 1 7.682 0.007 . 1 . . . . 57 Gln HE21 . 19618 1 755 . 1 1 57 57 GLN HE22 H 1 6.797 0.003 . 1 . . . . 57 Gln HE22 . 19618 1 756 . 1 1 57 57 GLN C C 13 177.680 0.200 . 1 . . . . 57 Gln C . 19618 1 757 . 1 1 57 57 GLN CA C 13 58.744 0.027 . 1 . . . . 57 Gln CA . 19618 1 758 . 1 1 57 57 GLN CB C 13 28.501 0.005 . 1 . . . . 57 Gln CB . 19618 1 759 . 1 1 57 57 GLN CG C 13 33.861 0.018 . 1 . . . . 57 Gln CG . 19618 1 760 . 1 1 57 57 GLN N N 15 121.190 0.067 . 1 . . . . 57 Gln N . 19618 1 761 . 1 1 57 57 GLN NE2 N 15 113.454 0.055 . 1 . . . . 57 Gln NE2 . 19618 1 762 . 1 1 58 58 GLU H H 1 8.451 0.010 . 1 . . . . 58 Glu H . 19618 1 763 . 1 1 58 58 GLU HA H 1 4.238 0.002 . 1 . . . . 58 Glu HA . 19618 1 764 . 1 1 58 58 GLU HB2 H 1 2.046 0.004 . 1 . . . . 58 Glu HB2 . 19618 1 765 . 1 1 58 58 GLU HG2 H 1 2.328 0.002 . 1 . . . . 58 Glu HG2 . 19618 1 766 . 1 1 58 58 GLU C C 13 178.640 0.200 . 1 . . . . 58 Glu C . 19618 1 767 . 1 1 58 58 GLU CA C 13 58.681 0.004 . 1 . . . . 58 Glu CA . 19618 1 768 . 1 1 58 58 GLU CB C 13 29.243 0.026 . 1 . . . . 58 Glu CB . 19618 1 769 . 1 1 58 58 GLU CG C 13 36.245 0.003 . 1 . . . . 58 Glu CG . 19618 1 770 . 1 1 58 58 GLU N N 15 118.583 0.110 . 1 . . . . 58 Glu N . 19618 1 771 . 1 1 59 59 PHE H H 1 7.931 0.007 . 1 . . . . 59 Phe H . 19618 1 772 . 1 1 59 59 PHE HA H 1 4.469 0.003 . 1 . . . . 59 Phe HA . 19618 1 773 . 1 1 59 59 PHE HB2 H 1 3.212 0.002 . 2 . . . . 59 Phe HB2 . 19618 1 774 . 1 1 59 59 PHE HB3 H 1 3.304 0.002 . 2 . . . . 59 Phe HB3 . 19618 1 775 . 1 1 59 59 PHE HD1 H 1 7.241 0.005 . 3 . . . . 59 Phe HD1 . 19618 1 776 . 1 1 59 59 PHE HD2 H 1 7.241 0.005 . 3 . . . . 59 Phe HD2 . 19618 1 777 . 1 1 59 59 PHE C C 13 177.150 0.200 . 1 . . . . 59 Phe C . 19618 1 778 . 1 1 59 59 PHE CA C 13 60.330 0.001 . 1 . . . . 59 Phe CA . 19618 1 779 . 1 1 59 59 PHE CB C 13 39.484 0.015 . 1 . . . . 59 Phe CB . 19618 1 780 . 1 1 59 59 PHE CD1 C 13 131.754 0.002 . 3 . . . . 59 Phe CD1 . 19618 1 781 . 1 1 59 59 PHE CD2 C 13 131.754 0.002 . 3 . . . . 59 Phe CD2 . 19618 1 782 . 1 1 59 59 PHE N N 15 120.319 0.030 . 1 . . . . 59 Phe N . 19618 1 783 . 1 1 60 60 GLN H H 1 8.260 0.005 . 1 . . . . 60 Gln H . 19618 1 784 . 1 1 60 60 GLN HA H 1 3.865 0.002 . 1 . . . . 60 Gln HA . 19618 1 785 . 1 1 60 60 GLN HB3 H 1 2.195 0.002 . 1 . . . . 60 Gln HB3 . 19618 1 786 . 1 1 60 60 GLN HG2 H 1 2.400 0.002 . 2 . . . . 60 Gln HG2 . 19618 1 787 . 1 1 60 60 GLN HG3 H 1 2.510 0.002 . 2 . . . . 60 Gln HG3 . 19618 1 788 . 1 1 60 60 GLN HE21 H 1 7.426 0.008 . 1 . . . . 60 Gln HE21 . 19618 1 789 . 1 1 60 60 GLN HE22 H 1 6.815 0.003 . 1 . . . . 60 Gln HE22 . 19618 1 790 . 1 1 60 60 GLN C C 13 178.270 0.200 . 1 . . . . 60 Gln C . 19618 1 791 . 1 1 60 60 GLN CA C 13 59.785 0.200 . 1 . . . . 60 Gln CA . 19618 1 792 . 1 1 60 60 GLN CB C 13 28.714 0.043 . 1 . . . . 60 Gln CB . 19618 1 793 . 1 1 60 60 GLN CG C 13 34.350 0.010 . 1 . . . . 60 Gln CG . 19618 1 794 . 1 1 60 60 GLN N N 15 119.727 0.016 . 1 . . . . 60 Gln N . 19618 1 795 . 1 1 60 60 GLN NE2 N 15 111.074 0.052 . 1 . . . . 60 Gln NE2 . 19618 1 796 . 1 1 61 61 ASP H H 1 8.495 0.005 . 1 . . . . 61 Asp H . 19618 1 797 . 1 1 61 61 ASP HA H 1 4.460 0.002 . 1 . . . . 61 Asp HA . 19618 1 798 . 1 1 61 61 ASP HB2 H 1 2.788 0.002 . 2 . . . . 61 Asp HB2 . 19618 1 799 . 1 1 61 61 ASP HB3 H 1 2.690 0.003 . 2 . . . . 61 Asp HB3 . 19618 1 800 . 1 1 61 61 ASP C C 13 179.030 0.200 . 1 . . . . 61 Asp C . 19618 1 801 . 1 1 61 61 ASP CA C 13 57.378 0.001 . 1 . . . . 61 Asp CA . 19618 1 802 . 1 1 61 61 ASP CB C 13 40.663 0.017 . 1 . . . . 61 Asp CB . 19618 1 803 . 1 1 61 61 ASP N N 15 119.786 0.105 . 1 . . . . 61 Asp N . 19618 1 804 . 1 1 62 62 SER H H 1 7.917 0.014 . 1 . . . . 62 Ser H . 19618 1 805 . 1 1 62 62 SER HA H 1 4.222 0.002 . 1 . . . . 62 Ser HA . 19618 1 806 . 1 1 62 62 SER HB2 H 1 3.833 0.005 . 2 . . . . 62 Ser HB2 . 19618 1 807 . 1 1 62 62 SER HB3 H 1 4.001 0.002 . 2 . . . . 62 Ser HB3 . 19618 1 808 . 1 1 62 62 SER HG H 1 4.660 0.200 . 1 . . . . 62 Ser HG . 19618 1 809 . 1 1 62 62 SER C C 13 175.870 0.200 . 1 . . . . 62 Ser C . 19618 1 810 . 1 1 62 62 SER CA C 13 62.629 0.016 . 1 . . . . 62 Ser CA . 19618 1 811 . 1 1 62 62 SER CB C 13 63.139 0.012 . 1 . . . . 62 Ser CB . 19618 1 812 . 1 1 62 62 SER N N 15 117.292 0.011 . 1 . . . . 62 Ser N . 19618 1 813 . 1 1 63 63 LEU H H 1 7.991 0.005 . 1 . . . . 63 Leu H . 19618 1 814 . 1 1 63 63 LEU HA H 1 3.984 0.002 . 1 . . . . 63 Leu HA . 19618 1 815 . 1 1 63 63 LEU HB2 H 1 1.658 0.003 . 2 . . . . 63 Leu HB2 . 19618 1 816 . 1 1 63 63 LEU HB3 H 1 1.593 0.001 . 2 . . . . 63 Leu HB3 . 19618 1 817 . 1 1 63 63 LEU HG H 1 1.621 0.001 . 1 . . . . 63 Leu HG . 19618 1 818 . 1 1 63 63 LEU HD11 H 1 0.800 0.003 . 2 . . . . 63 Leu HD11 . 19618 1 819 . 1 1 63 63 LEU HD12 H 1 0.800 0.003 . 2 . . . . 63 Leu HD12 . 19618 1 820 . 1 1 63 63 LEU HD13 H 1 0.800 0.003 . 2 . . . . 63 Leu HD13 . 19618 1 821 . 1 1 63 63 LEU HD21 H 1 0.833 0.003 . 2 . . . . 63 Leu HD21 . 19618 1 822 . 1 1 63 63 LEU HD22 H 1 0.833 0.003 . 2 . . . . 63 Leu HD22 . 19618 1 823 . 1 1 63 63 LEU HD23 H 1 0.833 0.003 . 2 . . . . 63 Leu HD23 . 19618 1 824 . 1 1 63 63 LEU C C 13 178.590 0.200 . 1 . . . . 63 Leu C . 19618 1 825 . 1 1 63 63 LEU CA C 13 57.685 0.200 . 1 . . . . 63 Leu CA . 19618 1 826 . 1 1 63 63 LEU CB C 13 41.627 0.011 . 1 . . . . 63 Leu CB . 19618 1 827 . 1 1 63 63 LEU CG C 13 26.883 0.200 . 1 . . . . 63 Leu CG . 19618 1 828 . 1 1 63 63 LEU CD1 C 13 24.155 0.014 . 2 . . . . 63 Leu CD1 . 19618 1 829 . 1 1 63 63 LEU CD2 C 13 25.410 0.200 . 2 . . . . 63 Leu CD2 . 19618 1 830 . 1 1 63 63 LEU N N 15 122.182 0.079 . 1 . . . . 63 Leu N . 19618 1 831 . 1 1 64 64 LYS H H 1 7.766 0.003 . 1 . . . . 64 Lys H . 19618 1 832 . 1 1 64 64 LYS HA H 1 4.064 0.004 . 1 . . . . 64 Lys HA . 19618 1 833 . 1 1 64 64 LYS HB2 H 1 1.942 0.001 . 1 . . . . 64 Lys HB2 . 19618 1 834 . 1 1 64 64 LYS HB3 H 1 1.943 0.002 . 1 . . . . 64 Lys HB3 . 19618 1 835 . 1 1 64 64 LYS HG2 H 1 1.648 0.001 . 2 . . . . 64 Lys HG2 . 19618 1 836 . 1 1 64 64 LYS HG3 H 1 1.526 0.150 . 2 . . . . 64 Lys HG3 . 19618 1 837 . 1 1 64 64 LYS HD2 H 1 1.740 0.001 . 2 . . . . 64 Lys HD2 . 19618 1 838 . 1 1 64 64 LYS HD3 H 1 1.526 0.001 . 2 . . . . 64 Lys HD3 . 19618 1 839 . 1 1 64 64 LYS HE2 H 1 2.985 0.003 . 1 . . . . 64 Lys HE2 . 19618 1 840 . 1 1 64 64 LYS C C 13 178.630 0.200 . 1 . . . . 64 Lys C . 19618 1 841 . 1 1 64 64 LYS CA C 13 58.982 0.003 . 1 . . . . 64 Lys CA . 19618 1 842 . 1 1 64 64 LYS CB C 13 32.456 0.036 . 1 . . . . 64 Lys CB . 19618 1 843 . 1 1 64 64 LYS CG C 13 25.441 0.006 . 1 . . . . 64 Lys CG . 19618 1 844 . 1 1 64 64 LYS CD C 13 29.282 0.008 . 1 . . . . 64 Lys CD . 19618 1 845 . 1 1 64 64 LYS CE C 13 42.249 0.021 . 1 . . . . 64 Lys CE . 19618 1 846 . 1 1 64 64 LYS N N 15 118.067 0.018 . 1 . . . . 64 Lys N . 19618 1 847 . 1 1 65 65 LYS H H 1 7.588 0.002 . 1 . . . . 65 Lys H . 19618 1 848 . 1 1 65 65 LYS HA H 1 4.137 0.002 . 1 . . . . 65 Lys HA . 19618 1 849 . 1 1 65 65 LYS HB2 H 1 1.952 0.001 . 2 . . . . 65 Lys HB2 . 19618 1 850 . 1 1 65 65 LYS HB3 H 1 2.002 0.001 . 2 . . . . 65 Lys HB3 . 19618 1 851 . 1 1 65 65 LYS HG2 H 1 1.468 0.003 . 2 . . . . 65 Lys HG2 . 19618 1 852 . 1 1 65 65 LYS HG3 H 1 1.703 0.013 . 2 . . . . 65 Lys HG3 . 19618 1 853 . 1 1 65 65 LYS HD2 H 1 1.741 0.150 . 2 . . . . 65 Lys HD2 . 19618 1 854 . 1 1 65 65 LYS HD3 H 1 1.687 0.150 . 2 . . . . 65 Lys HD3 . 19618 1 855 . 1 1 65 65 LYS HE2 H 1 2.996 0.002 . 1 . . . . 65 Lys HE2 . 19618 1 856 . 1 1 65 65 LYS C C 13 178.580 0.200 . 1 . . . . 65 Lys C . 19618 1 857 . 1 1 65 65 LYS CA C 13 58.703 0.200 . 1 . . . . 65 Lys CA . 19618 1 858 . 1 1 65 65 LYS CB C 13 32.783 0.006 . 1 . . . . 65 Lys CB . 19618 1 859 . 1 1 65 65 LYS CD C 13 29.458 0.200 . 1 . . . . 65 Lys CD . 19618 1 860 . 1 1 65 65 LYS CE C 13 42.226 0.200 . 1 . . . . 65 Lys CE . 19618 1 861 . 1 1 65 65 LYS N N 15 118.312 0.007 . 1 . . . . 65 Lys N . 19618 1 862 . 1 1 66 66 VAL H H 1 7.704 0.004 . 1 . . . . 66 Val H . 19618 1 863 . 1 1 66 66 VAL HA H 1 3.855 0.004 . 1 . . . . 66 Val HA . 19618 1 864 . 1 1 66 66 VAL HB H 1 2.256 0.003 . 1 . . . . 66 Val HB . 19618 1 865 . 1 1 66 66 VAL HG11 H 1 1.063 0.002 . 2 . . . . 66 Val HG11 . 19618 1 866 . 1 1 66 66 VAL HG12 H 1 1.063 0.002 . 2 . . . . 66 Val HG12 . 19618 1 867 . 1 1 66 66 VAL HG13 H 1 1.063 0.002 . 2 . . . . 66 Val HG13 . 19618 1 868 . 1 1 66 66 VAL HG21 H 1 0.958 0.003 . 2 . . . . 66 Val HG21 . 19618 1 869 . 1 1 66 66 VAL HG22 H 1 0.958 0.003 . 2 . . . . 66 Val HG22 . 19618 1 870 . 1 1 66 66 VAL HG23 H 1 0.958 0.003 . 2 . . . . 66 Val HG23 . 19618 1 871 . 1 1 66 66 VAL C C 13 176.880 0.200 . 1 . . . . 66 Val C . 19618 1 872 . 1 1 66 66 VAL CA C 13 64.881 0.005 . 1 . . . . 66 Val CA . 19618 1 873 . 1 1 66 66 VAL CB C 13 31.783 0.017 . 1 . . . . 66 Val CB . 19618 1 874 . 1 1 66 66 VAL CG1 C 13 22.441 0.024 . 2 . . . . 66 Val CG1 . 19618 1 875 . 1 1 66 66 VAL CG2 C 13 21.733 0.025 . 2 . . . . 66 Val CG2 . 19618 1 876 . 1 1 66 66 VAL N N 15 118.964 0.053 . 1 . . . . 66 Val N . 19618 1 877 . 1 1 67 67 GLU H H 1 8.171 0.002 . 1 . . . . 67 Glu H . 19618 1 878 . 1 1 67 67 GLU HA H 1 4.073 0.001 . 1 . . . . 67 Glu HA . 19618 1 879 . 1 1 67 67 GLU HB2 H 1 2.150 0.006 . 2 . . . . 67 Glu HB2 . 19618 1 880 . 1 1 67 67 GLU HB3 H 1 2.145 0.001 . 2 . . . . 67 Glu HB3 . 19618 1 881 . 1 1 67 67 GLU HG2 H 1 2.274 0.004 . 2 . . . . 67 Glu HG2 . 19618 1 882 . 1 1 67 67 GLU HG3 H 1 2.437 0.002 . 2 . . . . 67 Glu HG3 . 19618 1 883 . 1 1 67 67 GLU C C 13 177.320 0.200 . 1 . . . . 67 Glu C . 19618 1 884 . 1 1 67 67 GLU CA C 13 58.494 0.001 . 1 . . . . 67 Glu CA . 19618 1 885 . 1 1 67 67 GLU CB C 13 29.413 0.016 . 1 . . . . 67 Glu CB . 19618 1 886 . 1 1 67 67 GLU CG C 13 35.122 0.012 . 1 . . . . 67 Glu CG . 19618 1 887 . 1 1 67 67 GLU N N 15 121.170 0.050 . 1 . . . . 67 Glu N . 19618 1 888 . 1 1 68 68 LYS H H 1 7.982 0.003 . 1 . . . . 68 Lys H . 19618 1 889 . 1 1 68 68 LYS HA H 1 4.176 0.006 . 1 . . . . 68 Lys HA . 19618 1 890 . 1 1 68 68 LYS HB2 H 1 1.873 0.002 . 2 . . . . 68 Lys HB2 . 19618 1 891 . 1 1 68 68 LYS HB3 H 1 1.955 0.001 . 2 . . . . 68 Lys HB3 . 19618 1 892 . 1 1 68 68 LYS HG2 H 1 1.548 0.002 . 2 . . . . 68 Lys HG2 . 19618 1 893 . 1 1 68 68 LYS HG3 H 1 1.475 0.001 . 2 . . . . 68 Lys HG3 . 19618 1 894 . 1 1 68 68 LYS HD2 H 1 1.705 0.002 . 1 . . . . 68 Lys HD2 . 19618 1 895 . 1 1 68 68 LYS HE2 H 1 2.987 0.003 . 1 . . . . 68 Lys HE2 . 19618 1 896 . 1 1 68 68 LYS C C 13 177.560 0.200 . 1 . . . . 68 Lys C . 19618 1 897 . 1 1 68 68 LYS CA C 13 57.738 0.003 . 1 . . . . 68 Lys CA . 19618 1 898 . 1 1 68 68 LYS CB C 13 32.634 0.200 . 1 . . . . 68 Lys CB . 19618 1 899 . 1 1 68 68 LYS CG C 13 25.171 0.002 . 1 . . . . 68 Lys CG . 19618 1 900 . 1 1 68 68 LYS CD C 13 29.275 0.013 . 1 . . . . 68 Lys CD . 19618 1 901 . 1 1 68 68 LYS CE C 13 42.271 0.007 . 1 . . . . 68 Lys CE . 19618 1 902 . 1 1 68 68 LYS N N 15 118.884 0.017 . 1 . . . . 68 Lys N . 19618 1 903 . 1 1 69 69 ALA H H 1 7.925 0.015 . 1 . . . . 69 Ala H . 19618 1 904 . 1 1 69 69 ALA HA H 1 4.277 0.003 . 1 . . . . 69 Ala HA . 19618 1 905 . 1 1 69 69 ALA HB1 H 1 1.476 0.002 . 1 . . . . 69 Ala HB1 . 19618 1 906 . 1 1 69 69 ALA HB2 H 1 1.476 0.002 . 1 . . . . 69 Ala HB2 . 19618 1 907 . 1 1 69 69 ALA HB3 H 1 1.476 0.002 . 1 . . . . 69 Ala HB3 . 19618 1 908 . 1 1 69 69 ALA C C 13 177.930 0.200 . 1 . . . . 69 Ala C . 19618 1 909 . 1 1 69 69 ALA CA C 13 53.542 0.010 . 1 . . . . 69 Ala CA . 19618 1 910 . 1 1 69 69 ALA CB C 13 19.143 0.021 . 1 . . . . 69 Ala CB . 19618 1 911 . 1 1 69 69 ALA N N 15 122.564 0.073 . 1 . . . . 69 Ala N . 19618 1 912 . 1 1 70 70 SER H H 1 8.071 0.006 . 1 . . . . 70 Ser H . 19618 1 913 . 1 1 70 70 SER HA H 1 4.470 0.002 . 1 . . . . 70 Ser HA . 19618 1 914 . 1 1 70 70 SER HB2 H 1 3.972 0.002 . 2 . . . . 70 Ser HB2 . 19618 1 915 . 1 1 70 70 SER HB3 H 1 3.875 0.002 . 2 . . . . 70 Ser HB3 . 19618 1 916 . 1 1 70 70 SER C C 13 175.200 0.200 . 1 . . . . 70 Ser C . 19618 1 917 . 1 1 70 70 SER CA C 13 59.435 0.005 . 1 . . . . 70 Ser CA . 19618 1 918 . 1 1 70 70 SER CB C 13 64.014 0.200 . 1 . . . . 70 Ser CB . 19618 1 919 . 1 1 70 70 SER N N 15 113.723 0.114 . 1 . . . . 70 Ser N . 19618 1 920 . 1 1 71 71 LEU H H 1 8.248 0.002 . 1 . . . . 71 Leu H . 19618 1 921 . 1 1 71 71 LEU HA H 1 4.266 0.002 . 1 . . . . 71 Leu HA . 19618 1 922 . 1 1 71 71 LEU HB2 H 1 1.814 0.005 . 2 . . . . 71 Leu HB2 . 19618 1 923 . 1 1 71 71 LEU HB3 H 1 1.658 0.002 . 2 . . . . 71 Leu HB3 . 19618 1 924 . 1 1 71 71 LEU HG H 1 1.819 0.003 . 1 . . . . 71 Leu HG . 19618 1 925 . 1 1 71 71 LEU HD11 H 1 0.944 0.004 . 2 . . . . 71 Leu HD11 . 19618 1 926 . 1 1 71 71 LEU HD12 H 1 0.944 0.004 . 2 . . . . 71 Leu HD12 . 19618 1 927 . 1 1 71 71 LEU HD13 H 1 0.944 0.004 . 2 . . . . 71 Leu HD13 . 19618 1 928 . 1 1 71 71 LEU HD21 H 1 0.887 0.001 . 2 . . . . 71 Leu HD21 . 19618 1 929 . 1 1 71 71 LEU HD22 H 1 0.887 0.001 . 2 . . . . 71 Leu HD22 . 19618 1 930 . 1 1 71 71 LEU HD23 H 1 0.887 0.001 . 2 . . . . 71 Leu HD23 . 19618 1 931 . 1 1 71 71 LEU C C 13 178.070 0.200 . 1 . . . . 71 Leu C . 19618 1 932 . 1 1 71 71 LEU CA C 13 56.579 0.013 . 1 . . . . 71 Leu CA . 19618 1 933 . 1 1 71 71 LEU CB C 13 42.037 0.200 . 1 . . . . 71 Leu CB . 19618 1 934 . 1 1 71 71 LEU CG C 13 27.192 0.200 . 1 . . . . 71 Leu CG . 19618 1 935 . 1 1 71 71 LEU CD1 C 13 25.435 0.026 . 2 . . . . 71 Leu CD1 . 19618 1 936 . 1 1 71 71 LEU CD2 C 13 23.812 0.001 . 2 . . . . 71 Leu CD2 . 19618 1 937 . 1 1 71 71 LEU N N 15 122.300 0.027 . 1 . . . . 71 Leu N . 19618 1 938 . 1 1 72 72 THR H H 1 7.814 0.002 . 1 . . . . 72 Thr H . 19618 1 939 . 1 1 72 72 THR HA H 1 4.147 0.002 . 1 . . . . 72 Thr HA . 19618 1 940 . 1 1 72 72 THR HB H 1 4.241 0.004 . 1 . . . . 72 Thr HB . 19618 1 941 . 1 1 72 72 THR HG1 H 1 4.655 0.150 . 1 . . . . 72 Thr HG1 . 19618 1 942 . 1 1 72 72 THR HG21 H 1 1.246 0.004 . 1 . . . . 72 Thr HG21 . 19618 1 943 . 1 1 72 72 THR HG22 H 1 1.246 0.004 . 1 . . . . 72 Thr HG22 . 19618 1 944 . 1 1 72 72 THR HG23 H 1 1.246 0.004 . 1 . . . . 72 Thr HG23 . 19618 1 945 . 1 1 72 72 THR C C 13 174.960 0.200 . 1 . . . . 72 Thr C . 19618 1 946 . 1 1 72 72 THR CA C 13 63.893 0.005 . 1 . . . . 72 Thr CA . 19618 1 947 . 1 1 72 72 THR CB C 13 69.383 0.069 . 1 . . . . 72 Thr CB . 19618 1 948 . 1 1 72 72 THR CG2 C 13 21.897 0.003 . 1 . . . . 72 Thr CG2 . 19618 1 949 . 1 1 72 72 THR N N 15 111.317 0.009 . 1 . . . . 72 Thr N . 19618 1 950 . 1 1 73 73 ASN H H 1 7.964 0.003 . 1 . . . . 73 Asn H . 19618 1 951 . 1 1 73 73 ASN HA H 1 4.786 0.003 . 1 . . . . 73 Asn HA . 19618 1 952 . 1 1 73 73 ASN HB2 H 1 2.905 0.001 . 2 . . . . 73 Asn HB2 . 19618 1 953 . 1 1 73 73 ASN HB3 H 1 2.753 0.001 . 2 . . . . 73 Asn HB3 . 19618 1 954 . 1 1 73 73 ASN HD21 H 1 7.630 0.003 . 1 . . . . 73 Asn HD21 . 19618 1 955 . 1 1 73 73 ASN HD22 H 1 6.925 0.002 . 1 . . . . 73 Asn HD22 . 19618 1 956 . 1 1 73 73 ASN C C 13 174.950 0.200 . 1 . . . . 73 Asn C . 19618 1 957 . 1 1 73 73 ASN CA C 13 53.710 0.200 . 1 . . . . 73 Asn CA . 19618 1 958 . 1 1 73 73 ASN CB C 13 39.208 0.008 . 1 . . . . 73 Asn CB . 19618 1 959 . 1 1 73 73 ASN N N 15 119.029 0.012 . 1 . . . . 73 Asn N . 19618 1 960 . 1 1 73 73 ASN ND2 N 15 113.082 0.013 . 1 . . . . 73 Asn ND2 . 19618 1 961 . 1 1 74 74 LEU H H 1 7.813 0.002 . 1 . . . . 74 Leu H . 19618 1 962 . 1 1 74 74 LEU HA H 1 4.421 0.003 . 1 . . . . 74 Leu HA . 19618 1 963 . 1 1 74 74 LEU HB2 H 1 1.617 0.002 . 2 . . . . 74 Leu HB2 . 19618 1 964 . 1 1 74 74 LEU HB3 H 1 1.780 0.004 . 2 . . . . 74 Leu HB3 . 19618 1 965 . 1 1 74 74 LEU HG H 1 1.808 0.005 . 1 . . . . 74 Leu HG . 19618 1 966 . 1 1 74 74 LEU HD11 H 1 0.940 0.003 . 2 . . . . 74 Leu HD11 . 19618 1 967 . 1 1 74 74 LEU HD12 H 1 0.940 0.003 . 2 . . . . 74 Leu HD12 . 19618 1 968 . 1 1 74 74 LEU HD13 H 1 0.940 0.003 . 2 . . . . 74 Leu HD13 . 19618 1 969 . 1 1 74 74 LEU HD21 H 1 0.903 0.006 . 2 . . . . 74 Leu HD21 . 19618 1 970 . 1 1 74 74 LEU HD22 H 1 0.903 0.006 . 2 . . . . 74 Leu HD22 . 19618 1 971 . 1 1 74 74 LEU HD23 H 1 0.903 0.006 . 2 . . . . 74 Leu HD23 . 19618 1 972 . 1 1 74 74 LEU C C 13 176.830 0.200 . 1 . . . . 74 Leu C . 19618 1 973 . 1 1 74 74 LEU CA C 13 55.521 0.006 . 1 . . . . 74 Leu CA . 19618 1 974 . 1 1 74 74 LEU CB C 13 42.778 0.010 . 1 . . . . 74 Leu CB . 19618 1 975 . 1 1 74 74 LEU CG C 13 27.097 0.007 . 1 . . . . 74 Leu CG . 19618 1 976 . 1 1 74 74 LEU CD1 C 13 25.691 0.029 . 2 . . . . 74 Leu CD1 . 19618 1 977 . 1 1 74 74 LEU CD2 C 13 24.121 0.047 . 2 . . . . 74 Leu CD2 . 19618 1 978 . 1 1 74 74 LEU N N 15 120.564 0.016 . 1 . . . . 74 Leu N . 19618 1 979 . 1 1 75 75 THR H H 1 7.575 0.004 . 1 . . . . 75 Thr H . 19618 1 980 . 1 1 75 75 THR HA H 1 4.483 0.003 . 1 . . . . 75 Thr HA . 19618 1 981 . 1 1 75 75 THR HB H 1 4.611 0.005 . 1 . . . . 75 Thr HB . 19618 1 982 . 1 1 75 75 THR HG21 H 1 1.368 0.002 . 1 . . . . 75 Thr HG21 . 19618 1 983 . 1 1 75 75 THR HG22 H 1 1.368 0.002 . 1 . . . . 75 Thr HG22 . 19618 1 984 . 1 1 75 75 THR HG23 H 1 1.368 0.002 . 1 . . . . 75 Thr HG23 . 19618 1 985 . 1 1 75 75 THR C C 13 173.640 0.200 . 1 . . . . 75 Thr C . 19618 1 986 . 1 1 75 75 THR CA C 13 62.106 0.200 . 1 . . . . 75 Thr CA . 19618 1 987 . 1 1 75 75 THR CB C 13 68.800 0.200 . 1 . . . . 75 Thr CB . 19618 1 988 . 1 1 75 75 THR CG2 C 13 22.477 0.005 . 1 . . . . 75 Thr CG2 . 19618 1 989 . 1 1 75 75 THR N N 15 113.965 0.013 . 1 . . . . 75 Thr N . 19618 1 990 . 1 1 76 76 PRO HA H 1 4.292 0.002 . 1 . . . . 76 Pro HA . 19618 1 991 . 1 1 76 76 PRO HB2 H 1 2.411 0.002 . 2 . . . . 76 Pro HB2 . 19618 1 992 . 1 1 76 76 PRO HB3 H 1 1.955 0.001 . 2 . . . . 76 Pro HB3 . 19618 1 993 . 1 1 76 76 PRO HG2 H 1 2.212 0.001 . 2 . . . . 76 Pro HG2 . 19618 1 994 . 1 1 76 76 PRO HG3 H 1 2.049 0.001 . 2 . . . . 76 Pro HG3 . 19618 1 995 . 1 1 76 76 PRO HD2 H 1 3.891 0.003 . 2 . . . . 76 Pro HD2 . 19618 1 996 . 1 1 76 76 PRO HD3 H 1 3.843 0.003 . 2 . . . . 76 Pro HD3 . 19618 1 997 . 1 1 76 76 PRO C C 13 179.260 0.200 . 1 . . . . 76 Pro C . 19618 1 998 . 1 1 76 76 PRO CA C 13 65.849 0.001 . 1 . . . . 76 Pro CA . 19618 1 999 . 1 1 76 76 PRO CB C 13 31.706 0.200 . 1 . . . . 76 Pro CB . 19618 1 1000 . 1 1 76 76 PRO CG C 13 28.047 0.006 . 1 . . . . 76 Pro CG . 19618 1 1001 . 1 1 76 76 PRO CD C 13 50.546 0.023 . 1 . . . . 76 Pro CD . 19618 1 1002 . 1 1 77 77 GLU H H 1 8.660 0.002 . 1 . . . . 77 Glu H . 19618 1 1003 . 1 1 77 77 GLU HA H 1 4.212 0.002 . 1 . . . . 77 Glu HA . 19618 1 1004 . 1 1 77 77 GLU HB2 H 1 2.031 0.002 . 2 . . . . 77 Glu HB2 . 19618 1 1005 . 1 1 77 77 GLU HB3 H 1 2.123 0.002 . 2 . . . . 77 Glu HB3 . 19618 1 1006 . 1 1 77 77 GLU HG2 H 1 2.348 0.001 . 2 . . . . 77 Glu HG2 . 19618 1 1007 . 1 1 77 77 GLU HG3 H 1 2.449 0.002 . 2 . . . . 77 Glu HG3 . 19618 1 1008 . 1 1 77 77 GLU C C 13 178.890 0.200 . 1 . . . . 77 Glu C . 19618 1 1009 . 1 1 77 77 GLU CA C 13 59.407 0.011 . 1 . . . . 77 Glu CA . 19618 1 1010 . 1 1 77 77 GLU CB C 13 28.895 0.064 . 1 . . . . 77 Glu CB . 19618 1 1011 . 1 1 77 77 GLU CG C 13 36.460 0.200 . 1 . . . . 77 Glu CG . 19618 1 1012 . 1 1 77 77 GLU N N 15 118.104 0.001 . 1 . . . . 77 Glu N . 19618 1 1013 . 1 1 78 78 LEU H H 1 7.911 0.003 . 1 . . . . 78 Leu H . 19618 1 1014 . 1 1 78 78 LEU HA H 1 4.215 0.002 . 1 . . . . 78 Leu HA . 19618 1 1015 . 1 1 78 78 LEU HB2 H 1 1.668 0.008 . 2 . . . . 78 Leu HB2 . 19618 1 1016 . 1 1 78 78 LEU HB3 H 1 1.844 0.001 . 2 . . . . 78 Leu HB3 . 19618 1 1017 . 1 1 78 78 LEU HG H 1 1.755 0.003 . 1 . . . . 78 Leu HG . 19618 1 1018 . 1 1 78 78 LEU HD11 H 1 1.001 0.002 . 2 . . . . 78 Leu HD11 . 19618 1 1019 . 1 1 78 78 LEU HD12 H 1 1.001 0.002 . 2 . . . . 78 Leu HD12 . 19618 1 1020 . 1 1 78 78 LEU HD13 H 1 1.001 0.002 . 2 . . . . 78 Leu HD13 . 19618 1 1021 . 1 1 78 78 LEU HD21 H 1 0.947 0.004 . 2 . . . . 78 Leu HD21 . 19618 1 1022 . 1 1 78 78 LEU HD22 H 1 0.947 0.004 . 2 . . . . 78 Leu HD22 . 19618 1 1023 . 1 1 78 78 LEU HD23 H 1 0.947 0.004 . 2 . . . . 78 Leu HD23 . 19618 1 1024 . 1 1 78 78 LEU C C 13 178.640 0.200 . 1 . . . . 78 Leu C . 19618 1 1025 . 1 1 78 78 LEU CA C 13 57.628 0.066 . 1 . . . . 78 Leu CA . 19618 1 1026 . 1 1 78 78 LEU CB C 13 42.143 0.032 . 1 . . . . 78 Leu CB . 19618 1 1027 . 1 1 78 78 LEU CG C 13 27.342 0.006 . 1 . . . . 78 Leu CG . 19618 1 1028 . 1 1 78 78 LEU CD1 C 13 25.237 0.007 . 2 . . . . 78 Leu CD1 . 19618 1 1029 . 1 1 78 78 LEU CD2 C 13 24.436 0.008 . 2 . . . . 78 Leu CD2 . 19618 1 1030 . 1 1 78 78 LEU N N 15 122.544 0.012 . 1 . . . . 78 Leu N . 19618 1 1031 . 1 1 79 79 LYS H H 1 8.343 0.006 . 1 . . . . 79 Lys H . 19618 1 1032 . 1 1 79 79 LYS HA H 1 3.928 0.003 . 1 . . . . 79 Lys HA . 19618 1 1033 . 1 1 79 79 LYS HB2 H 1 1.939 0.001 . 2 . . . . 79 Lys HB2 . 19618 1 1034 . 1 1 79 79 LYS HB3 H 1 1.872 0.004 . 2 . . . . 79 Lys HB3 . 19618 1 1035 . 1 1 79 79 LYS HG2 H 1 1.411 0.003 . 2 . . . . 79 Lys HG2 . 19618 1 1036 . 1 1 79 79 LYS HG3 H 1 1.544 0.004 . 2 . . . . 79 Lys HG3 . 19618 1 1037 . 1 1 79 79 LYS HD2 H 1 1.394 0.150 . 2 . . . . 79 Lys HD2 . 19618 1 1038 . 1 1 79 79 LYS HD3 H 1 1.700 0.004 . 2 . . . . 79 Lys HD3 . 19618 1 1039 . 1 1 79 79 LYS HE2 H 1 2.969 0.005 . 1 . . . . 79 Lys HE2 . 19618 1 1040 . 1 1 79 79 LYS C C 13 178.310 0.200 . 1 . . . . 79 Lys C . 19618 1 1041 . 1 1 79 79 LYS CA C 13 60.051 0.021 . 1 . . . . 79 Lys CA . 19618 1 1042 . 1 1 79 79 LYS CB C 13 32.371 0.031 . 1 . . . . 79 Lys CB . 19618 1 1043 . 1 1 79 79 LYS CG C 13 25.756 0.020 . 1 . . . . 79 Lys CG . 19618 1 1044 . 1 1 79 79 LYS CD C 13 29.438 0.077 . 1 . . . . 79 Lys CD . 19618 1 1045 . 1 1 79 79 LYS CE C 13 42.300 0.200 . 1 . . . . 79 Lys CE . 19618 1 1046 . 1 1 79 79 LYS N N 15 120.539 0.012 . 1 . . . . 79 Lys N . 19618 1 1047 . 1 1 80 80 ALA H H 1 8.052 0.003 . 1 . . . . 80 Ala H . 19618 1 1048 . 1 1 80 80 ALA HA H 1 4.289 0.002 . 1 . . . . 80 Ala HA . 19618 1 1049 . 1 1 80 80 ALA HB1 H 1 1.537 0.002 . 1 . . . . 80 Ala HB1 . 19618 1 1050 . 1 1 80 80 ALA HB2 H 1 1.537 0.002 . 1 . . . . 80 Ala HB2 . 19618 1 1051 . 1 1 80 80 ALA HB3 H 1 1.537 0.002 . 1 . . . . 80 Ala HB3 . 19618 1 1052 . 1 1 80 80 ALA C C 13 180.430 0.200 . 1 . . . . 80 Ala C . 19618 1 1053 . 1 1 80 80 ALA CA C 13 54.824 0.028 . 1 . . . . 80 Ala CA . 19618 1 1054 . 1 1 80 80 ALA CB C 13 18.301 0.008 . 1 . . . . 80 Ala CB . 19618 1 1055 . 1 1 80 80 ALA N N 15 121.282 0.013 . 1 . . . . 80 Ala N . 19618 1 1056 . 1 1 81 81 SER H H 1 7.910 0.004 . 1 . . . . 81 Ser H . 19618 1 1057 . 1 1 81 81 SER HA H 1 4.371 0.004 . 1 . . . . 81 Ser HA . 19618 1 1058 . 1 1 81 81 SER HB2 H 1 3.872 0.002 . 2 . . . . 81 Ser HB2 . 19618 1 1059 . 1 1 81 81 SER HB3 H 1 4.087 0.002 . 2 . . . . 81 Ser HB3 . 19618 1 1060 . 1 1 81 81 SER HG H 1 4.676 0.150 . 1 . . . . 81 Ser HG . 19618 1 1061 . 1 1 81 81 SER C C 13 175.970 0.200 . 1 . . . . 81 Ser C . 19618 1 1062 . 1 1 81 81 SER CA C 13 62.150 0.200 . 1 . . . . 81 Ser CA . 19618 1 1063 . 1 1 81 81 SER CB C 13 63.558 0.006 . 1 . . . . 81 Ser CB . 19618 1 1064 . 1 1 81 81 SER N N 15 115.616 0.014 . 1 . . . . 81 Ser N . 19618 1 1065 . 1 1 82 82 MET H H 1 8.327 0.003 . 1 . . . . 82 Met H . 19618 1 1066 . 1 1 82 82 MET HA H 1 4.221 0.006 . 1 . . . . 82 Met HA . 19618 1 1067 . 1 1 82 82 MET HB2 H 1 2.246 0.002 . 2 . . . . 82 Met HB2 . 19618 1 1068 . 1 1 82 82 MET HB3 H 1 2.160 0.001 . 2 . . . . 82 Met HB3 . 19618 1 1069 . 1 1 82 82 MET HG2 H 1 2.570 0.005 . 2 . . . . 82 Met HG2 . 19618 1 1070 . 1 1 82 82 MET HG3 H 1 2.685 0.002 . 2 . . . . 82 Met HG3 . 19618 1 1071 . 1 1 82 82 MET HE1 H 1 2.030 0.003 . 1 . . . . 82 Met HE1 . 19618 1 1072 . 1 1 82 82 MET HE2 H 1 2.030 0.003 . 1 . . . . 82 Met HE2 . 19618 1 1073 . 1 1 82 82 MET HE3 H 1 2.030 0.003 . 1 . . . . 82 Met HE3 . 19618 1 1074 . 1 1 82 82 MET C C 13 178.210 0.200 . 1 . . . . 82 Met C . 19618 1 1075 . 1 1 82 82 MET CA C 13 58.680 0.005 . 1 . . . . 82 Met CA . 19618 1 1076 . 1 1 82 82 MET CB C 13 32.310 0.200 . 1 . . . . 82 Met CB . 19618 1 1077 . 1 1 82 82 MET CG C 13 32.895 0.015 . 1 . . . . 82 Met CG . 19618 1 1078 . 1 1 82 82 MET CE C 13 17.593 0.002 . 1 . . . . 82 Met CE . 19618 1 1079 . 1 1 82 82 MET N N 15 121.722 0.010 . 1 . . . . 82 Met N . 19618 1 1080 . 1 1 83 83 ASP H H 1 8.386 0.002 . 1 . . . . 83 Asp H . 19618 1 1081 . 1 1 83 83 ASP HA H 1 4.487 0.003 . 1 . . . . 83 Asp HA . 19618 1 1082 . 1 1 83 83 ASP HB2 H 1 2.841 0.002 . 2 . . . . 83 Asp HB2 . 19618 1 1083 . 1 1 83 83 ASP HB3 H 1 2.712 0.004 . 2 . . . . 83 Asp HB3 . 19618 1 1084 . 1 1 83 83 ASP C C 13 179.020 0.200 . 1 . . . . 83 Asp C . 19618 1 1085 . 1 1 83 83 ASP CA C 13 57.803 0.005 . 1 . . . . 83 Asp CA . 19618 1 1086 . 1 1 83 83 ASP CB C 13 40.637 0.012 . 1 . . . . 83 Asp CB . 19618 1 1087 . 1 1 83 83 ASP N N 15 120.639 0.010 . 1 . . . . 83 Asp N . 19618 1 1088 . 1 1 84 84 GLU H H 1 7.973 0.004 . 1 . . . . 84 Glu H . 19618 1 1089 . 1 1 84 84 GLU HA H 1 4.118 0.002 . 1 . . . . 84 Glu HA . 19618 1 1090 . 1 1 84 84 GLU HB2 H 1 2.144 0.002 . 2 . . . . 84 Glu HB2 . 19618 1 1091 . 1 1 84 84 GLU HB3 H 1 2.287 0.007 . 2 . . . . 84 Glu HB3 . 19618 1 1092 . 1 1 84 84 GLU HG2 H 1 2.517 0.002 . 2 . . . . 84 Glu HG2 . 19618 1 1093 . 1 1 84 84 GLU HG3 H 1 2.404 0.002 . 2 . . . . 84 Glu HG3 . 19618 1 1094 . 1 1 84 84 GLU C C 13 179.530 0.200 . 1 . . . . 84 Glu C . 19618 1 1095 . 1 1 84 84 GLU CA C 13 59.261 0.009 . 1 . . . . 84 Glu CA . 19618 1 1096 . 1 1 84 84 GLU CB C 13 28.997 0.015 . 1 . . . . 84 Glu CB . 19618 1 1097 . 1 1 84 84 GLU CG C 13 35.301 0.200 . 1 . . . . 84 Glu CG . 19618 1 1098 . 1 1 84 84 GLU N N 15 120.363 0.012 . 1 . . . . 84 Glu N . 19618 1 1099 . 1 1 85 85 LEU H H 1 8.103 0.006 . 1 . . . . 85 Leu H . 19618 1 1100 . 1 1 85 85 LEU HA H 1 4.101 0.002 . 1 . . . . 85 Leu HA . 19618 1 1101 . 1 1 85 85 LEU HB2 H 1 1.719 0.002 . 2 . . . . 85 Leu HB2 . 19618 1 1102 . 1 1 85 85 LEU HB3 H 1 1.929 0.003 . 2 . . . . 85 Leu HB3 . 19618 1 1103 . 1 1 85 85 LEU HG H 1 1.826 0.003 . 1 . . . . 85 Leu HG . 19618 1 1104 . 1 1 85 85 LEU HD11 H 1 0.901 0.005 . 1 . . . . 85 Leu HD11 . 19618 1 1105 . 1 1 85 85 LEU HD12 H 1 0.901 0.005 . 1 . . . . 85 Leu HD12 . 19618 1 1106 . 1 1 85 85 LEU HD13 H 1 0.901 0.005 . 1 . . . . 85 Leu HD13 . 19618 1 1107 . 1 1 85 85 LEU C C 13 178.300 0.200 . 1 . . . . 85 Leu C . 19618 1 1108 . 1 1 85 85 LEU CA C 13 58.317 0.038 . 1 . . . . 85 Leu CA . 19618 1 1109 . 1 1 85 85 LEU CB C 13 41.839 0.007 . 1 . . . . 85 Leu CB . 19618 1 1110 . 1 1 85 85 LEU CG C 13 27.114 0.012 . 1 . . . . 85 Leu CG . 19618 1 1111 . 1 1 85 85 LEU CD1 C 13 24.381 0.200 . 1 . . . . 85 Leu CD1 . 19618 1 1112 . 1 1 85 85 LEU N N 15 121.607 0.040 . 1 . . . . 85 Leu N . 19618 1 1113 . 1 1 86 86 ARG H H 1 8.429 0.002 . 1 . . . . 86 Arg H . 19618 1 1114 . 1 1 86 86 ARG HA H 1 3.899 0.004 . 1 . . . . 86 Arg HA . 19618 1 1115 . 1 1 86 86 ARG HB2 H 1 1.972 0.006 . 2 . . . . 86 Arg HB2 . 19618 1 1116 . 1 1 86 86 ARG HB3 H 1 2.151 0.004 . 2 . . . . 86 Arg HB3 . 19618 1 1117 . 1 1 86 86 ARG HG2 H 1 1.662 0.003 . 2 . . . . 86 Arg HG2 . 19618 1 1118 . 1 1 86 86 ARG HG3 H 1 1.786 0.002 . 2 . . . . 86 Arg HG3 . 19618 1 1119 . 1 1 86 86 ARG HD2 H 1 3.281 0.002 . 1 . . . . 86 Arg HD2 . 19618 1 1120 . 1 1 86 86 ARG HE H 1 7.636 0.004 . 1 . . . . 86 Arg HE . 19618 1 1121 . 1 1 86 86 ARG C C 13 178.760 0.200 . 1 . . . . 86 Arg C . 19618 1 1122 . 1 1 86 86 ARG CA C 13 60.253 0.077 . 1 . . . . 86 Arg CA . 19618 1 1123 . 1 1 86 86 ARG CB C 13 29.816 0.200 . 1 . . . . 86 Arg CB . 19618 1 1124 . 1 1 86 86 ARG CG C 13 27.839 0.001 . 1 . . . . 86 Arg CG . 19618 1 1125 . 1 1 86 86 ARG CD C 13 43.615 0.016 . 1 . . . . 86 Arg CD . 19618 1 1126 . 1 1 86 86 ARG N N 15 119.778 0.014 . 1 . . . . 86 Arg N . 19618 1 1127 . 1 1 86 86 ARG NE N 15 84.707 0.153 . 1 . . . . 86 Arg NE . 19618 1 1128 . 1 1 87 87 GLN H H 1 8.144 0.002 . 1 . . . . 87 Gln H . 19618 1 1129 . 1 1 87 87 GLN HA H 1 4.100 0.004 . 1 . . . . 87 Gln HA . 19618 1 1130 . 1 1 87 87 GLN HB2 H 1 2.190 0.003 . 1 . . . . 87 Gln HB2 . 19618 1 1131 . 1 1 87 87 GLN HG2 H 1 2.561 0.003 . 2 . . . . 87 Gln HG2 . 19618 1 1132 . 1 1 87 87 GLN HG3 H 1 2.429 0.004 . 2 . . . . 87 Gln HG3 . 19618 1 1133 . 1 1 87 87 GLN HE21 H 1 7.361 0.003 . 1 . . . . 87 Gln HE21 . 19618 1 1134 . 1 1 87 87 GLN HE22 H 1 6.801 0.150 . 1 . . . . 87 Gln HE22 . 19618 1 1135 . 1 1 87 87 GLN C C 13 179.060 0.200 . 1 . . . . 87 Gln C . 19618 1 1136 . 1 1 87 87 GLN CA C 13 59.032 0.001 . 1 . . . . 87 Gln CA . 19618 1 1137 . 1 1 87 87 GLN CB C 13 28.823 0.014 . 1 . . . . 87 Gln CB . 19618 1 1138 . 1 1 87 87 GLN CG C 13 34.350 0.200 . 1 . . . . 87 Gln CG . 19618 1 1139 . 1 1 87 87 GLN N N 15 118.564 0.022 . 1 . . . . 87 Gln N . 19618 1 1140 . 1 1 87 87 GLN NE2 N 15 112.324 0.008 . 1 . . . . 87 Gln NE2 . 19618 1 1141 . 1 1 88 88 ALA H H 1 8.181 0.001 . 1 . . . . 88 Ala H . 19618 1 1142 . 1 1 88 88 ALA HA H 1 4.214 0.002 . 1 . . . . 88 Ala HA . 19618 1 1143 . 1 1 88 88 ALA HB1 H 1 1.567 0.003 . 1 . . . . 88 Ala HB1 . 19618 1 1144 . 1 1 88 88 ALA HB2 H 1 1.567 0.003 . 1 . . . . 88 Ala HB2 . 19618 1 1145 . 1 1 88 88 ALA HB3 H 1 1.567 0.003 . 1 . . . . 88 Ala HB3 . 19618 1 1146 . 1 1 88 88 ALA C C 13 179.900 0.200 . 1 . . . . 88 Ala C . 19618 1 1147 . 1 1 88 88 ALA CA C 13 55.217 0.022 . 1 . . . . 88 Ala CA . 19618 1 1148 . 1 1 88 88 ALA CB C 13 18.241 0.015 . 1 . . . . 88 Ala CB . 19618 1 1149 . 1 1 88 88 ALA N N 15 123.905 0.016 . 1 . . . . 88 Ala N . 19618 1 1150 . 1 1 89 89 ALA H H 1 8.447 0.003 . 1 . . . . 89 Ala H . 19618 1 1151 . 1 1 89 89 ALA HA H 1 4.028 0.003 . 1 . . . . 89 Ala HA . 19618 1 1152 . 1 1 89 89 ALA HB1 H 1 1.517 0.003 . 1 . . . . 89 Ala HB1 . 19618 1 1153 . 1 1 89 89 ALA HB2 H 1 1.517 0.003 . 1 . . . . 89 Ala HB2 . 19618 1 1154 . 1 1 89 89 ALA HB3 H 1 1.517 0.003 . 1 . . . . 89 Ala HB3 . 19618 1 1155 . 1 1 89 89 ALA C C 13 179.370 0.200 . 1 . . . . 89 Ala C . 19618 1 1156 . 1 1 89 89 ALA CA C 13 55.463 0.044 . 1 . . . . 89 Ala CA . 19618 1 1157 . 1 1 89 89 ALA CB C 13 18.368 0.004 . 1 . . . . 89 Ala CB . 19618 1 1158 . 1 1 89 89 ALA N N 15 121.323 0.007 . 1 . . . . 89 Ala N . 19618 1 1159 . 1 1 90 90 GLU H H 1 8.255 0.003 . 1 . . . . 90 Glu H . 19618 1 1160 . 1 1 90 90 GLU HA H 1 4.029 0.002 . 1 . . . . 90 Glu HA . 19618 1 1161 . 1 1 90 90 GLU HB2 H 1 2.160 0.003 . 2 . . . . 90 Glu HB2 . 19618 1 1162 . 1 1 90 90 GLU HB3 H 1 2.160 0.002 . 2 . . . . 90 Glu HB3 . 19618 1 1163 . 1 1 90 90 GLU HG2 H 1 2.351 0.002 . 2 . . . . 90 Glu HG2 . 19618 1 1164 . 1 1 90 90 GLU HG3 H 1 2.461 0.001 . 2 . . . . 90 Glu HG3 . 19618 1 1165 . 1 1 90 90 GLU C C 13 179.170 0.200 . 1 . . . . 90 Glu C . 19618 1 1166 . 1 1 90 90 GLU CA C 13 59.519 0.024 . 1 . . . . 90 Glu CA . 19618 1 1167 . 1 1 90 90 GLU CB C 13 29.242 0.200 . 1 . . . . 90 Glu CB . 19618 1 1168 . 1 1 90 90 GLU CG C 13 36.203 0.013 . 1 . . . . 90 Glu CG . 19618 1 1169 . 1 1 90 90 GLU N N 15 118.200 0.032 . 1 . . . . 90 Glu N . 19618 1 1170 . 1 1 91 91 SER H H 1 8.097 0.002 . 1 . . . . 91 Ser H . 19618 1 1171 . 1 1 91 91 SER HA H 1 4.251 0.002 . 1 . . . . 91 Ser HA . 19618 1 1172 . 1 1 91 91 SER HB3 H 1 4.028 0.001 . 1 . . . . 91 Ser HB3 . 19618 1 1173 . 1 1 91 91 SER HG H 1 4.664 0.150 . 1 . . . . 91 Ser HG . 19618 1 1174 . 1 1 91 91 SER C C 13 176.970 0.200 . 1 . . . . 91 Ser C . 19618 1 1175 . 1 1 91 91 SER CA C 13 61.559 0.001 . 1 . . . . 91 Ser CA . 19618 1 1176 . 1 1 91 91 SER CB C 13 63.185 0.013 . 1 . . . . 91 Ser CB . 19618 1 1177 . 1 1 91 91 SER N N 15 115.490 0.012 . 1 . . . . 91 Ser N . 19618 1 1178 . 1 1 92 92 MET H H 1 8.089 0.003 . 1 . . . . 92 Met H . 19618 1 1179 . 1 1 92 92 MET HA H 1 4.291 0.002 . 1 . . . . 92 Met HA . 19618 1 1180 . 1 1 92 92 MET HB2 H 1 2.123 0.004 . 2 . . . . 92 Met HB2 . 19618 1 1181 . 1 1 92 92 MET HB3 H 1 2.261 0.003 . 2 . . . . 92 Met HB3 . 19618 1 1182 . 1 1 92 92 MET HG2 H 1 2.599 0.002 . 2 . . . . 92 Met HG2 . 19618 1 1183 . 1 1 92 92 MET HG3 H 1 2.711 0.004 . 2 . . . . 92 Met HG3 . 19618 1 1184 . 1 1 92 92 MET HE1 H 1 2.043 0.002 . 1 . . . . 92 Met HE1 . 19618 1 1185 . 1 1 92 92 MET HE2 H 1 2.043 0.002 . 1 . . . . 92 Met HE2 . 19618 1 1186 . 1 1 92 92 MET HE3 H 1 2.043 0.002 . 1 . . . . 92 Met HE3 . 19618 1 1187 . 1 1 92 92 MET C C 13 177.760 0.200 . 1 . . . . 92 Met C . 19618 1 1188 . 1 1 92 92 MET CA C 13 58.300 0.013 . 1 . . . . 92 Met CA . 19618 1 1189 . 1 1 92 92 MET CB C 13 32.885 0.023 . 1 . . . . 92 Met CB . 19618 1 1190 . 1 1 92 92 MET CG C 13 32.879 0.007 . 1 . . . . 92 Met CG . 19618 1 1191 . 1 1 92 92 MET CE C 13 17.594 0.200 . 1 . . . . 92 Met CE . 19618 1 1192 . 1 1 92 92 MET N N 15 121.542 0.003 . 1 . . . . 92 Met N . 19618 1 1193 . 1 1 93 93 LYS H H 1 8.142 0.006 . 1 . . . . 93 Lys H . 19618 1 1194 . 1 1 93 93 LYS HA H 1 4.027 0.006 . 1 . . . . 93 Lys HA . 19618 1 1195 . 1 1 93 93 LYS HB2 H 1 1.891 0.001 . 2 . . . . 93 Lys HB2 . 19618 1 1196 . 1 1 93 93 LYS HB3 H 1 2.030 0.003 . 2 . . . . 93 Lys HB3 . 19618 1 1197 . 1 1 93 93 LYS HG2 H 1 1.718 0.004 . 2 . . . . 93 Lys HG2 . 19618 1 1198 . 1 1 93 93 LYS HD2 H 1 1.711 0.002 . 1 . . . . 93 Lys HD2 . 19618 1 1199 . 1 1 93 93 LYS HD3 H 1 1.973 0.002 . 1 . . . . 93 Lys HD3 . 19618 1 1200 . 1 1 93 93 LYS HE2 H 1 2.934 0.002 . 1 . . . . 93 Lys HE2 . 19618 1 1201 . 1 1 93 93 LYS C C 13 177.800 0.200 . 1 . . . . 93 Lys C . 19618 1 1202 . 1 1 93 93 LYS CA C 13 59.560 0.025 . 1 . . . . 93 Lys CA . 19618 1 1203 . 1 1 93 93 LYS CB C 13 32.505 0.019 . 1 . . . . 93 Lys CB . 19618 1 1204 . 1 1 93 93 LYS CG C 13 25.355 0.039 . 1 . . . . 93 Lys CG . 19618 1 1205 . 1 1 93 93 LYS CD C 13 29.509 0.200 . 1 . . . . 93 Lys CD . 19618 1 1206 . 1 1 93 93 LYS CE C 13 42.092 0.013 . 1 . . . . 93 Lys CE . 19618 1 1207 . 1 1 93 93 LYS N N 15 120.242 0.035 . 1 . . . . 93 Lys N . 19618 1 1208 . 1 1 94 94 ARG H H 1 8.015 0.003 . 1 . . . . 94 Arg H . 19618 1 1209 . 1 1 94 94 ARG HA H 1 4.178 0.006 . 1 . . . . 94 Arg HA . 19618 1 1210 . 1 1 94 94 ARG HB3 H 1 1.938 0.002 . 1 . . . . 94 Arg HB3 . 19618 1 1211 . 1 1 94 94 ARG HG2 H 1 1.683 0.004 . 2 . . . . 94 Arg HG2 . 19618 1 1212 . 1 1 94 94 ARG HG3 H 1 1.818 0.001 . 2 . . . . 94 Arg HG3 . 19618 1 1213 . 1 1 94 94 ARG HD2 H 1 3.237 0.002 . 1 . . . . 94 Arg HD2 . 19618 1 1214 . 1 1 94 94 ARG HE H 1 7.418 0.001 . 1 . . . . 94 Arg HE . 19618 1 1215 . 1 1 94 94 ARG C C 13 177.920 0.200 . 1 . . . . 94 Arg C . 19618 1 1216 . 1 1 94 94 ARG CA C 13 58.502 0.042 . 1 . . . . 94 Arg CA . 19618 1 1217 . 1 1 94 94 ARG CB C 13 30.454 0.200 . 1 . . . . 94 Arg CB . 19618 1 1218 . 1 1 94 94 ARG CG C 13 27.785 0.004 . 1 . . . . 94 Arg CG . 19618 1 1219 . 1 1 94 94 ARG CD C 13 43.646 0.200 . 1 . . . . 94 Arg CD . 19618 1 1220 . 1 1 94 94 ARG N N 15 118.481 0.020 . 1 . . . . 94 Arg N . 19618 1 1221 . 1 1 94 94 ARG NE N 15 85.469 0.080 . 1 . . . . 94 Arg NE . 19618 1 1222 . 1 1 95 95 SER H H 1 7.919 0.003 . 1 . . . . 95 Ser H . 19618 1 1223 . 1 1 95 95 SER HA H 1 4.334 0.002 . 1 . . . . 95 Ser HA . 19618 1 1224 . 1 1 95 95 SER HB2 H 1 3.804 0.002 . 2 . . . . 95 Ser HB2 . 19618 1 1225 . 1 1 95 95 SER HB3 H 1 3.897 0.004 . 2 . . . . 95 Ser HB3 . 19618 1 1226 . 1 1 95 95 SER HG H 1 4.642 0.150 . 1 . . . . 95 Ser HG . 19618 1 1227 . 1 1 95 95 SER C C 13 174.880 0.200 . 1 . . . . 95 Ser C . 19618 1 1228 . 1 1 95 95 SER CA C 13 60.493 0.003 . 1 . . . . 95 Ser CA . 19618 1 1229 . 1 1 95 95 SER CB C 13 63.662 0.008 . 1 . . . . 95 Ser CB . 19618 1 1230 . 1 1 95 95 SER N N 15 114.728 0.006 . 1 . . . . 95 Ser N . 19618 1 1231 . 1 1 96 96 TYR H H 1 7.970 0.003 . 1 . . . . 96 Tyr H . 19618 1 1232 . 1 1 96 96 TYR HA H 1 4.461 0.003 . 1 . . . . 96 Tyr HA . 19618 1 1233 . 1 1 96 96 TYR HB2 H 1 2.975 0.003 . 2 . . . . 96 Tyr HB2 . 19618 1 1234 . 1 1 96 96 TYR HB3 H 1 3.129 0.002 . 2 . . . . 96 Tyr HB3 . 19618 1 1235 . 1 1 96 96 TYR HD1 H 1 7.095 0.002 . 3 . . . . 96 Tyr HD1 . 19618 1 1236 . 1 1 96 96 TYR HD2 H 1 7.095 0.002 . 3 . . . . 96 Tyr HD2 . 19618 1 1237 . 1 1 96 96 TYR HE1 H 1 6.785 0.004 . 3 . . . . 96 Tyr HE1 . 19618 1 1238 . 1 1 96 96 TYR HE2 H 1 6.785 0.004 . 3 . . . . 96 Tyr HE2 . 19618 1 1239 . 1 1 96 96 TYR C C 13 175.900 0.200 . 1 . . . . 96 Tyr C . 19618 1 1240 . 1 1 96 96 TYR CA C 13 59.753 0.016 . 1 . . . . 96 Tyr CA . 19618 1 1241 . 1 1 96 96 TYR CB C 13 39.541 0.012 . 1 . . . . 96 Tyr CB . 19618 1 1242 . 1 1 96 96 TYR CD1 C 13 133.176 0.015 . 3 . . . . 96 Tyr CD1 . 19618 1 1243 . 1 1 96 96 TYR CD2 C 13 133.176 0.015 . 3 . . . . 96 Tyr CD2 . 19618 1 1244 . 1 1 96 96 TYR CE1 C 13 118.154 0.200 . 3 . . . . 96 Tyr CE1 . 19618 1 1245 . 1 1 96 96 TYR CE2 C 13 118.154 0.200 . 3 . . . . 96 Tyr CE2 . 19618 1 1246 . 1 1 96 96 TYR N N 15 121.108 0.043 . 1 . . . . 96 Tyr N . 19618 1 1247 . 1 1 97 97 VAL H H 1 7.842 0.003 . 1 . . . . 97 Val H . 19618 1 1248 . 1 1 97 97 VAL HA H 1 4.046 0.003 . 1 . . . . 97 Val HA . 19618 1 1249 . 1 1 97 97 VAL HB H 1 2.169 0.002 . 1 . . . . 97 Val HB . 19618 1 1250 . 1 1 97 97 VAL HG11 H 1 0.972 0.004 . 2 . . . . 97 Val HG11 . 19618 1 1251 . 1 1 97 97 VAL HG12 H 1 0.972 0.004 . 2 . . . . 97 Val HG12 . 19618 1 1252 . 1 1 97 97 VAL HG13 H 1 0.972 0.004 . 2 . . . . 97 Val HG13 . 19618 1 1253 . 1 1 97 97 VAL HG21 H 1 0.994 0.001 . 2 . . . . 97 Val HG21 . 19618 1 1254 . 1 1 97 97 VAL HG22 H 1 0.994 0.001 . 2 . . . . 97 Val HG22 . 19618 1 1255 . 1 1 97 97 VAL HG23 H 1 0.994 0.001 . 2 . . . . 97 Val HG23 . 19618 1 1256 . 1 1 97 97 VAL C C 13 175.800 0.200 . 1 . . . . 97 Val C . 19618 1 1257 . 1 1 97 97 VAL CA C 13 62.701 0.003 . 1 . . . . 97 Val CA . 19618 1 1258 . 1 1 97 97 VAL CB C 13 32.684 0.031 . 1 . . . . 97 Val CB . 19618 1 1259 . 1 1 97 97 VAL CG1 C 13 21.614 0.014 . 2 . . . . 97 Val CG1 . 19618 1 1260 . 1 1 97 97 VAL CG2 C 13 21.098 0.021 . 2 . . . . 97 Val CG2 . 19618 1 1261 . 1 1 97 97 VAL N N 15 118.577 0.014 . 1 . . . . 97 Val N . 19618 1 1262 . 1 1 98 98 ALA H H 1 8.020 0.002 . 1 . . . . 98 Ala H . 19618 1 1263 . 1 1 98 98 ALA HA H 1 4.276 0.003 . 1 . . . . 98 Ala HA . 19618 1 1264 . 1 1 98 98 ALA HB1 H 1 1.406 0.003 . 1 . . . . 98 Ala HB1 . 19618 1 1265 . 1 1 98 98 ALA HB2 H 1 1.406 0.003 . 1 . . . . 98 Ala HB2 . 19618 1 1266 . 1 1 98 98 ALA HB3 H 1 1.406 0.003 . 1 . . . . 98 Ala HB3 . 19618 1 1267 . 1 1 98 98 ALA C C 13 177.310 0.200 . 1 . . . . 98 Ala C . 19618 1 1268 . 1 1 98 98 ALA CA C 13 52.777 0.200 . 1 . . . . 98 Ala CA . 19618 1 1269 . 1 1 98 98 ALA CB C 13 19.366 0.031 . 1 . . . . 98 Ala CB . 19618 1 1270 . 1 1 98 98 ALA N N 15 125.717 0.056 . 1 . . . . 98 Ala N . 19618 1 1271 . 1 1 99 99 ASN H H 1 8.141 0.005 . 1 . . . . 99 Asn H . 19618 1 1272 . 1 1 99 99 ASN HA H 1 4.660 0.005 . 1 . . . . 99 Asn HA . 19618 1 1273 . 1 1 99 99 ASN HB2 H 1 2.766 0.002 . 2 . . . . 99 Asn HB2 . 19618 1 1274 . 1 1 99 99 ASN HB3 H 1 2.681 0.002 . 2 . . . . 99 Asn HB3 . 19618 1 1275 . 1 1 99 99 ASN HD21 H 1 7.554 0.002 . 1 . . . . 99 Asn HD21 . 19618 1 1276 . 1 1 99 99 ASN HD22 H 1 6.851 0.002 . 1 . . . . 99 Asn HD22 . 19618 1 1277 . 1 1 99 99 ASN C C 13 174.410 0.200 . 1 . . . . 99 Asn C . 19618 1 1278 . 1 1 99 99 ASN CA C 13 53.330 0.200 . 1 . . . . 99 Asn CA . 19618 1 1279 . 1 1 99 99 ASN CB C 13 39.475 0.200 . 1 . . . . 99 Asn CB . 19618 1 1280 . 1 1 99 99 ASN N N 15 118.083 0.026 . 1 . . . . 99 Asn N . 19618 1 1281 . 1 1 99 99 ASN ND2 N 15 113.303 0.009 . 1 . . . . 99 Asn ND2 . 19618 1 1282 . 1 1 100 100 ASP H H 1 8.183 0.002 . 1 . . . . 100 Asp H . 19618 1 1283 . 1 1 100 100 ASP HA H 1 4.831 0.002 . 1 . . . . 100 Asp HA . 19618 1 1284 . 1 1 100 100 ASP HB2 H 1 2.565 0.002 . 2 . . . . 100 Asp HB2 . 19618 1 1285 . 1 1 100 100 ASP HB3 H 1 2.788 0.004 . 2 . . . . 100 Asp HB3 . 19618 1 1286 . 1 1 100 100 ASP C C 13 175.200 0.200 . 1 . . . . 100 Asp C . 19618 1 1287 . 1 1 100 100 ASP CA C 13 52.278 0.200 . 1 . . . . 100 Asp CA . 19618 1 1288 . 1 1 100 100 ASP CB C 13 41.563 0.020 . 1 . . . . 100 Asp CB . 19618 1 1289 . 1 1 100 100 ASP N N 15 122.254 0.018 . 1 . . . . 100 Asp N . 19618 1 1290 . 1 1 101 101 PRO HA H 1 4.386 0.002 . 1 . . . . 101 Pro HA . 19618 1 1291 . 1 1 101 101 PRO HB2 H 1 2.301 0.002 . 2 . . . . 101 Pro HB2 . 19618 1 1292 . 1 1 101 101 PRO HB3 H 1 1.928 0.150 . 2 . . . . 101 Pro HB3 . 19618 1 1293 . 1 1 101 101 PRO HG2 H 1 1.949 0.002 . 2 . . . . 101 Pro HG2 . 19618 1 1294 . 1 1 101 101 PRO HG3 H 1 2.015 0.001 . 2 . . . . 101 Pro HG3 . 19618 1 1295 . 1 1 101 101 PRO HD2 H 1 3.832 0.003 . 1 . . . . 101 Pro HD2 . 19618 1 1296 . 1 1 101 101 PRO C C 13 177.300 0.200 . 1 . . . . 101 Pro C . 19618 1 1297 . 1 1 101 101 PRO CA C 13 63.900 0.200 . 1 . . . . 101 Pro CA . 19618 1 1298 . 1 1 101 101 PRO CB C 13 32.194 0.022 . 1 . . . . 101 Pro CB . 19618 1 1299 . 1 1 101 101 PRO CG C 13 27.231 0.011 . 1 . . . . 101 Pro CG . 19618 1 1300 . 1 1 101 101 PRO CD C 13 50.855 0.010 . 1 . . . . 101 Pro CD . 19618 1 1301 . 1 1 102 102 LEU H H 1 8.247 0.002 . 1 . . . . 102 Leu H . 19618 1 1302 . 1 1 102 102 LEU HA H 1 4.216 0.001 . 1 . . . . 102 Leu HA . 19618 1 1303 . 1 1 102 102 LEU HB2 H 1 1.491 0.003 . 2 . . . . 102 Leu HB2 . 19618 1 1304 . 1 1 102 102 LEU HB3 H 1 1.670 0.002 . 2 . . . . 102 Leu HB3 . 19618 1 1305 . 1 1 102 102 LEU HG H 1 1.587 0.002 . 1 . . . . 102 Leu HG . 19618 1 1306 . 1 1 102 102 LEU HD11 H 1 0.833 0.001 . 2 . . . . 102 Leu HD11 . 19618 1 1307 . 1 1 102 102 LEU HD12 H 1 0.833 0.001 . 2 . . . . 102 Leu HD12 . 19618 1 1308 . 1 1 102 102 LEU HD13 H 1 0.833 0.001 . 2 . . . . 102 Leu HD13 . 19618 1 1309 . 1 1 102 102 LEU HD21 H 1 0.831 0.004 . 2 . . . . 102 Leu HD21 . 19618 1 1310 . 1 1 102 102 LEU HD22 H 1 0.831 0.004 . 2 . . . . 102 Leu HD22 . 19618 1 1311 . 1 1 102 102 LEU HD23 H 1 0.831 0.004 . 2 . . . . 102 Leu HD23 . 19618 1 1312 . 1 1 102 102 LEU C C 13 177.600 0.200 . 1 . . . . 102 Leu C . 19618 1 1313 . 1 1 102 102 LEU CA C 13 55.449 0.011 . 1 . . . . 102 Leu CA . 19618 1 1314 . 1 1 102 102 LEU CB C 13 41.671 0.034 . 1 . . . . 102 Leu CB . 19618 1 1315 . 1 1 102 102 LEU CG C 13 27.219 0.200 . 1 . . . . 102 Leu CG . 19618 1 1316 . 1 1 102 102 LEU CD1 C 13 23.483 0.200 . 2 . . . . 102 Leu CD1 . 19618 1 1317 . 1 1 102 102 LEU CD2 C 13 24.917 0.015 . 2 . . . . 102 Leu CD2 . 19618 1 1318 . 1 1 102 102 LEU N N 15 120.426 0.024 . 1 . . . . 102 Leu N . 19618 1 1319 . 1 1 103 103 GLU H H 1 7.883 0.008 . 1 . . . . 103 Glu H . 19618 1 1320 . 1 1 103 103 GLU HA H 1 4.105 0.001 . 1 . . . . 103 Glu HA . 19618 1 1321 . 1 1 103 103 GLU HB2 H 1 1.940 0.002 . 1 . . . . 103 Glu HB2 . 19618 1 1322 . 1 1 103 103 GLU HG2 H 1 2.142 0.002 . 2 . . . . 103 Glu HG2 . 19618 1 1323 . 1 1 103 103 GLU HG3 H 1 2.195 0.001 . 2 . . . . 103 Glu HG3 . 19618 1 1324 . 1 1 103 103 GLU C C 13 176.500 0.200 . 1 . . . . 103 Glu C . 19618 1 1325 . 1 1 103 103 GLU CA C 13 57.005 0.056 . 1 . . . . 103 Glu CA . 19618 1 1326 . 1 1 103 103 GLU CB C 13 30.057 0.007 . 1 . . . . 103 Glu CB . 19618 1 1327 . 1 1 103 103 GLU CG C 13 36.000 0.200 . 1 . . . . 103 Glu CG . 19618 1 1328 . 1 1 103 103 GLU N N 15 120.456 0.028 . 1 . . . . 103 Glu N . 19618 1 1329 . 1 1 104 104 HIS H H 1 8.233 0.150 . 1 . . . . 104 His H . 19618 1 1330 . 1 1 104 104 HIS HA H 1 4.670 0.150 . 1 . . . . 104 His HA . 19618 1 1331 . 1 1 104 104 HIS HB2 H 1 3.220 0.150 . 1 . . . . 104 His HB2 . 19618 1 1332 . 1 1 104 104 HIS CA C 13 55.810 0.200 . 1 . . . . 104 His CA . 19618 1 1333 . 1 1 104 104 HIS CB C 13 29.860 0.200 . 1 . . . . 104 His CB . 19618 1 1334 . 1 1 104 104 HIS N N 15 119.200 0.200 . 1 . . . . 104 His N . 19618 1 1335 . 1 1 105 105 HIS H H 1 8.191 0.008 . 1 . . . . 105 His H . 19618 1 1336 . 1 1 105 105 HIS HA H 1 4.652 0.150 . 1 . . . . 105 His HA . 19618 1 1337 . 1 1 105 105 HIS HB2 H 1 3.155 0.150 . 1 . . . . 105 His HB2 . 19618 1 1338 . 1 1 105 105 HIS N N 15 125.883 0.019 . 1 . . . . 105 His N . 19618 1 stop_ save_